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 1zm2_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 0.000 175.839 176.094 -0.424 0.000 1.182 2 V CA 0.000 62.114 62.300 -0.310 0.000 1.235 2 V CB 0.000 31.516 31.823 -0.512 0.000 1.184 3 A N 3.656 126.213 122.820 -0.439 0.000 2.301 3 A HA 0.946 5.270 4.320 0.006 0.000 0.312 3 A C -1.305 176.003 177.584 -0.459 0.000 1.182 3 A CA -0.212 51.633 52.037 -0.320 0.000 0.826 3 A CB 0.642 19.544 19.000 -0.163 0.000 1.134 3 A HN 0.853 nan 8.150 nan 0.000 0.501 4 F N 0.018 119.936 119.950 -0.053 0.000 2.603 4 F HA 0.597 5.128 4.527 0.006 0.000 0.317 4 F C 0.953 176.727 175.800 -0.043 0.000 1.066 4 F CA -0.339 57.620 58.000 -0.069 0.000 0.941 4 F CB 2.359 41.307 39.000 -0.086 0.000 1.291 4 F HN 0.674 nan 8.300 nan 0.000 0.472 5 T N -1.741 112.929 114.554 0.194 0.000 2.902 5 T HA 0.400 4.754 4.350 0.006 0.000 0.280 5 T C 0.963 175.696 174.700 0.055 0.000 0.992 5 T CA -0.673 61.478 62.100 0.085 0.000 1.015 5 T CB 1.287 70.186 68.868 0.052 0.000 1.044 5 T HN 0.307 nan 8.240 nan 0.000 0.520 6 V N 1.447 121.380 119.914 0.031 0.000 2.380 6 V HA -0.185 3.938 4.120 0.006 0.000 0.251 6 V C 2.439 178.525 176.094 -0.014 0.000 1.063 6 V CA 2.141 64.448 62.300 0.011 0.000 1.055 6 V CB -0.822 31.006 31.823 0.007 0.000 0.657 6 V HN 0.884 nan 8.190 nan 0.000 0.455 7 D N -0.358 120.033 120.400 -0.015 0.000 2.078 7 D HA -0.188 4.455 4.640 0.006 0.000 0.193 7 D C 2.303 178.562 176.300 -0.067 0.000 0.990 7 D CA 1.433 55.413 54.000 -0.033 0.000 0.827 7 D CB -0.287 40.499 40.800 -0.023 0.000 0.975 7 D HN 0.543 nan 8.370 nan 0.000 0.451 8 Q N -0.151 119.604 119.800 -0.076 0.000 2.062 8 Q HA -0.189 4.154 4.340 0.006 0.000 0.209 8 Q C 2.335 178.159 176.000 -0.292 0.000 0.996 8 Q CA 1.292 56.981 55.803 -0.190 0.000 0.859 8 Q CB -0.157 28.485 28.738 -0.161 0.000 0.920 8 Q HN 0.287 nan 8.270 nan 0.000 0.415 9 M N 0.071 119.539 119.600 -0.221 0.000 2.065 9 M HA -0.170 4.314 4.480 0.006 0.000 0.259 9 M C 2.232 178.457 176.300 -0.125 0.000 1.069 9 M CA 1.552 56.742 55.300 -0.182 0.000 1.110 9 M CB -0.926 31.638 32.600 -0.061 0.000 1.328 9 M HN 0.095 nan 8.290 nan 0.000 0.405 10 R N 0.527 120.976 120.500 -0.085 0.000 2.094 10 R HA -0.129 4.214 4.340 0.006 0.000 0.239 10 R C 2.459 178.712 176.300 -0.079 0.000 1.137 10 R CA 2.454 58.515 56.100 -0.066 0.000 0.943 10 R CB -1.114 29.157 30.300 -0.048 0.000 0.850 10 R HN 0.366 nan 8.270 nan 0.000 0.433 11 S N -0.482 115.162 115.700 -0.093 0.000 2.374 11 S HA -0.147 4.326 4.470 0.006 0.000 0.227 11 S C 1.781 176.317 174.600 -0.106 0.000 1.037 11 S CA 1.440 59.584 58.200 -0.093 0.000 1.024 11 S CB -0.458 62.682 63.200 -0.100 0.000 0.861 11 S HN 0.366 nan 8.310 nan 0.000 0.456 12 L N 1.237 122.373 121.223 -0.145 0.000 2.141 12 L HA 0.223 4.566 4.340 0.006 0.000 0.209 12 L C 2.088 178.907 176.870 -0.084 0.000 1.094 12 L CA 1.736 56.495 54.840 -0.135 0.000 0.763 12 L CB -0.653 41.283 42.059 -0.206 0.000 0.908 12 L HN 0.412 nan 8.230 nan 0.000 0.437 13 M N -1.450 118.104 119.600 -0.077 0.000 2.618 13 M HA -0.056 4.427 4.480 0.006 0.000 0.240 13 M C 1.177 177.447 176.300 -0.051 0.000 1.123 13 M CA 0.521 55.788 55.300 -0.054 0.000 1.060 13 M CB -0.192 32.378 32.600 -0.051 0.000 1.535 13 M HN 0.185 nan 8.290 nan 0.000 0.507 14 D N 1.026 121.393 120.400 -0.055 0.000 2.240 14 D HA 0.018 4.662 4.640 0.006 0.000 0.206 14 D C 0.412 176.685 176.300 -0.045 0.000 0.963 14 D CA 0.774 54.746 54.000 -0.048 0.000 0.863 14 D CB 0.394 41.166 40.800 -0.048 0.000 0.973 14 D HN 0.283 nan 8.370 nan 0.000 0.501 15 K N 1.446 121.814 120.400 -0.053 0.000 2.307 15 K HA 0.154 4.477 4.320 0.006 0.000 0.240 15 K C 1.194 177.773 176.600 -0.035 0.000 1.214 15 K CA -0.302 55.953 56.287 -0.053 0.000 1.149 15 K CB 1.332 33.782 32.500 -0.083 0.000 1.668 15 K HN -0.120 nan 8.250 nan 0.000 0.314 16 V N 0.974 120.874 119.914 -0.023 0.000 2.392 16 V HA -0.297 3.827 4.120 0.006 0.000 0.249 16 V C 2.456 178.560 176.094 0.017 0.000 1.059 16 V CA 2.481 64.775 62.300 -0.009 0.000 1.051 16 V CB -0.910 30.902 31.823 -0.019 0.000 0.658 16 V HN 0.744 nan 8.190 nan 0.000 0.455 17 T N -1.456 113.107 114.554 0.015 0.000 2.869 17 T HA -0.207 4.147 4.350 0.006 0.000 0.270 17 T C 1.122 175.888 174.700 0.111 0.000 1.082 17 T CA 1.852 63.979 62.100 0.045 0.000 1.123 17 T CB -0.505 68.380 68.868 0.027 0.000 0.856 17 T HN 0.500 nan 8.240 nan 0.000 0.499 18 N N 0.399 119.149 118.700 0.084 0.000 2.389 18 N HA 0.417 5.161 4.740 0.006 0.000 0.260 18 N C -1.186 174.483 175.510 0.265 0.000 1.191 18 N CA -0.174 52.986 53.050 0.184 0.000 0.885 18 N CB 1.069 39.411 38.487 -0.242 0.000 1.162 18 N HN 0.257 nan 8.380 nan 0.000 0.512 19 V N 0.558 120.572 119.914 0.167 0.000 2.769 19 V HA 0.539 4.662 4.120 0.006 0.000 0.312 19 V C -0.336 175.806 176.094 0.081 0.000 1.061 19 V CA -0.866 61.502 62.300 0.112 0.000 0.931 19 V CB 2.310 34.158 31.823 0.042 0.000 1.010 19 V HN 0.083 nan 8.190 nan 0.000 0.433 20 R N 2.926 123.460 120.500 0.057 0.000 2.468 20 R HA 0.411 4.755 4.340 0.006 0.000 0.302 20 R C -1.192 175.119 176.300 0.019 0.000 1.041 20 R CA -0.574 55.540 56.100 0.022 0.000 0.899 20 R CB 1.275 31.571 30.300 -0.006 0.000 1.167 20 R HN 0.608 nan 8.270 nan 0.000 0.483 21 N N 4.381 123.087 118.700 0.010 0.000 2.420 21 N HA 0.349 5.093 4.740 0.006 0.000 0.249 21 N C 0.045 175.568 175.510 0.022 0.000 1.033 21 N CA -0.274 52.784 53.050 0.013 0.000 0.944 21 N CB 1.265 39.745 38.487 -0.013 0.000 1.113 21 N HN 0.423 nan 8.380 nan 0.000 0.502 22 M N -0.884 118.734 119.600 0.030 0.000 2.755 22 M HA 0.663 5.147 4.480 0.006 0.000 0.273 22 M C -0.409 175.910 176.300 0.032 0.000 1.278 22 M CA -0.946 54.370 55.300 0.025 0.000 0.819 22 M CB 1.362 33.966 32.600 0.008 0.000 1.694 22 M HN 0.229 nan 8.290 nan 0.000 0.460 23 S N -0.665 115.046 115.700 0.020 0.000 2.704 23 S HA 0.949 5.422 4.470 0.006 0.000 0.296 23 S C -1.201 173.396 174.600 -0.004 0.000 1.138 23 S CA -0.899 57.312 58.200 0.017 0.000 0.875 23 S CB 1.815 65.030 63.200 0.025 0.000 1.151 23 S HN 0.814 nan 8.310 nan 0.000 0.500 24 V N 1.519 121.428 119.914 -0.009 0.000 2.326 24 V HA 0.406 4.530 4.120 0.006 0.000 0.281 24 V C -0.835 175.246 176.094 -0.023 0.000 1.015 24 V CA -0.465 61.822 62.300 -0.021 0.000 0.823 24 V CB 0.672 32.482 31.823 -0.022 0.000 1.009 24 V HN 0.780 nan 8.190 nan 0.000 0.436 25 I N 4.916 125.467 120.570 -0.031 0.000 2.363 25 I HA 0.624 4.797 4.170 0.006 0.000 0.292 25 I C 0.481 176.585 176.117 -0.021 0.000 1.075 25 I CA 0.594 61.874 61.300 -0.033 0.000 1.333 25 I CB 0.835 38.805 38.000 -0.049 0.000 1.415 25 I HN 0.724 nan 8.210 nan 0.000 0.502 26 A N 4.670 127.485 122.820 -0.009 0.000 2.547 26 A HA 0.337 4.661 4.320 0.006 0.000 0.298 26 A C -0.962 176.637 177.584 0.025 0.000 1.062 26 A CA -0.690 51.364 52.037 0.028 0.000 0.748 26 A CB 0.424 19.441 19.000 0.029 0.000 1.288 26 A HN 0.734 nan 8.150 nan 0.000 0.396 27 H N 1.454 120.484 119.070 -0.067 0.000 2.972 27 H HA 0.246 4.806 4.556 0.007 0.000 0.343 27 H C 1.476 176.733 175.328 -0.118 0.000 1.054 27 H CA 1.149 57.098 56.048 -0.164 0.000 1.412 27 H CB 0.992 30.514 29.762 -0.400 0.000 1.385 27 H HN 0.566 nan 8.280 nan 0.000 0.600 28 V N 1.929 121.683 119.914 -0.266 0.000 2.392 28 V HA -0.223 3.901 4.120 0.006 0.000 0.249 28 V C 1.290 177.434 176.094 0.083 0.000 1.059 28 V CA 1.952 64.207 62.300 -0.075 0.000 1.051 28 V CB -0.278 31.473 31.823 -0.120 0.000 0.658 28 V HN 0.785 nan 8.190 nan 0.000 0.455 29 D N -0.655 119.907 120.400 0.271 0.000 2.324 29 D HA 0.030 4.674 4.640 0.006 0.000 0.235 29 D C 0.858 177.298 176.300 0.233 0.000 1.095 29 D CA 0.590 54.712 54.000 0.203 0.000 0.871 29 D CB -0.373 40.524 40.800 0.161 0.000 0.906 29 D HN 0.683 nan 8.370 nan 0.000 0.522 30 H N -1.101 118.040 119.070 0.117 0.000 2.505 30 H HA 0.288 4.848 4.556 0.006 0.000 0.260 30 H C 1.104 176.435 175.328 0.003 0.000 1.168 30 H CA -0.351 55.718 56.048 0.035 0.000 0.945 30 H CB 0.777 30.556 29.762 0.028 0.000 1.800 30 H HN 0.083 nan 8.280 nan 0.000 0.586 31 G N 2.110 110.980 108.800 0.117 0.000 2.168 31 G HA2 -0.434 3.529 3.960 0.006 0.000 0.257 31 G HA3 -0.434 3.529 3.960 0.006 0.000 0.257 31 G C 1.282 176.198 174.900 0.027 0.000 0.997 31 G CA 1.031 46.157 45.100 0.044 0.000 0.708 31 G HN 0.536 nan 8.290 nan 0.000 0.520 32 K N 0.886 121.311 120.400 0.042 0.000 2.015 32 K HA -0.255 4.069 4.320 0.006 0.000 0.216 32 K C 2.881 179.480 176.600 -0.002 0.000 1.052 32 K CA 2.721 59.016 56.287 0.014 0.000 0.937 32 K CB -0.455 32.049 32.500 0.006 0.000 0.719 32 K HN 0.755 nan 8.250 nan 0.000 0.446 33 S N -0.197 115.503 115.700 -0.000 0.000 2.368 33 S HA -0.143 4.330 4.470 0.006 0.000 0.225 33 S C 2.006 176.604 174.600 -0.003 0.000 1.030 33 S CA 1.742 59.938 58.200 -0.006 0.000 0.999 33 S CB -0.902 62.295 63.200 -0.005 0.000 0.844 33 S HN 0.428 nan 8.310 nan 0.000 0.459 34 T N 3.372 117.927 114.554 0.002 0.000 2.643 34 T HA 0.061 4.415 4.350 0.006 0.000 0.264 34 T C 1.819 176.514 174.700 -0.007 0.000 1.045 34 T CA 1.483 63.584 62.100 0.001 0.000 1.155 34 T CB -0.716 68.153 68.868 0.001 0.000 0.863 34 T HN 0.247 nan 8.240 nan 0.000 0.420 35 L N 0.723 121.933 121.223 -0.021 0.000 1.990 35 L HA -0.197 4.147 4.340 0.006 0.000 0.213 35 L C 2.989 179.848 176.870 -0.019 0.000 1.072 35 L CA 1.526 56.347 54.840 -0.032 0.000 0.755 35 L CB -1.261 40.767 42.059 -0.051 0.000 0.889 35 L HN 0.338 nan 8.230 nan 0.000 0.432 36 T N -0.741 113.803 114.554 -0.016 0.000 2.597 36 T HA -0.261 4.093 4.350 0.006 0.000 0.267 36 T C 1.479 176.178 174.700 -0.002 0.000 1.053 36 T CA 1.808 63.902 62.100 -0.010 0.000 1.165 36 T CB -0.414 68.446 68.868 -0.012 0.000 0.863 36 T HN 0.377 nan 8.240 nan 0.000 0.427 37 D N 0.636 121.036 120.400 0.000 0.000 2.127 37 D HA -0.138 4.506 4.640 0.006 0.000 0.190 37 D C 2.363 178.672 176.300 0.016 0.000 1.000 37 D CA 1.563 55.568 54.000 0.008 0.000 0.839 37 D CB -0.676 40.130 40.800 0.010 0.000 0.955 37 D HN 0.301 nan 8.370 nan 0.000 0.446 38 S N -0.371 115.338 115.700 0.015 0.000 2.413 38 S HA -0.191 4.282 4.470 0.006 0.000 0.237 38 S C 2.031 176.645 174.600 0.024 0.000 1.044 38 S CA 0.863 59.077 58.200 0.023 0.000 1.024 38 S CB -0.169 63.043 63.200 0.020 0.000 0.829 38 S HN 0.099 nan 8.310 nan 0.000 0.475 39 L N 0.497 121.730 121.223 0.017 0.000 2.131 39 L HA 0.032 4.376 4.340 0.006 0.000 0.206 39 L C 2.395 179.287 176.870 0.036 0.000 1.087 39 L CA 0.840 55.694 54.840 0.022 0.000 0.767 39 L CB -0.631 41.437 42.059 0.014 0.000 0.917 39 L HN 0.160 nan 8.230 nan 0.000 0.441 40 V N -0.991 118.943 119.914 0.032 0.000 2.261 40 V HA -0.259 3.865 4.120 0.006 0.000 0.246 40 V C 2.249 178.369 176.094 0.043 0.000 1.047 40 V CA 1.354 63.678 62.300 0.040 0.000 1.015 40 V CB -0.621 31.219 31.823 0.029 0.000 0.642 40 V HN 0.464 nan 8.190 nan 0.000 0.446 41 Q N -0.421 119.401 119.800 0.037 0.000 2.561 41 Q HA -0.140 4.204 4.340 0.006 0.000 0.217 41 Q C 2.046 178.071 176.000 0.041 0.000 0.980 41 Q CA 0.999 56.824 55.803 0.038 0.000 0.927 41 Q CB -0.177 28.582 28.738 0.036 0.000 0.980 41 Q HN 0.597 nan 8.270 nan 0.000 0.525 42 R N -0.590 119.938 120.500 0.046 0.000 2.302 42 R HA 0.231 4.575 4.340 0.006 0.000 0.187 42 R C 0.827 177.167 176.300 0.066 0.000 0.904 42 R CA 1.250 57.381 56.100 0.051 0.000 1.105 42 R CB -0.061 30.266 30.300 0.046 0.000 1.239 42 R HN -0.021 nan 8.270 nan 0.000 0.620 43 A N 0.048 122.915 122.820 0.078 0.000 2.603 43 A HA 0.480 4.804 4.320 0.006 0.000 0.277 43 A C 0.520 178.186 177.584 0.137 0.000 1.158 43 A CA -0.020 52.090 52.037 0.121 0.000 0.962 43 A CB 0.173 19.240 19.000 0.111 0.000 1.189 43 A HN 0.315 nan 8.150 nan 0.000 0.552 44 G N 0.992 109.850 108.800 0.097 0.000 2.272 44 G HA2 0.410 4.373 3.960 0.006 0.000 0.247 44 G HA3 0.410 4.373 3.960 0.006 0.000 0.247 44 G C 0.033 174.999 174.900 0.109 0.000 1.272 44 G CA 0.058 45.217 45.100 0.098 0.000 0.921 44 G HN 0.195 nan 8.290 nan 0.000 0.495 45 I N 2.575 123.234 120.570 0.147 0.000 2.395 45 I HA 0.294 4.467 4.170 0.006 0.000 0.289 45 I C 0.014 176.209 176.117 0.129 0.000 1.023 45 I CA -0.662 60.739 61.300 0.167 0.000 1.350 45 I CB 1.113 39.278 38.000 0.274 0.000 1.409 45 I HN 0.182 nan 8.210 nan 0.000 0.507 46 I N 5.207 125.821 120.570 0.074 0.000 2.569 46 I HA 0.264 4.438 4.170 0.006 0.000 0.296 46 I C 0.331 176.484 176.117 0.059 0.000 1.028 46 I CA -0.171 61.172 61.300 0.073 0.000 1.082 46 I CB 1.972 39.989 38.000 0.028 0.000 1.264 46 I HN 0.659 nan 8.210 nan 0.000 0.429 47 S N 5.718 121.462 115.700 0.073 0.000 2.565 47 S HA 0.800 5.274 4.470 0.006 0.000 0.276 47 S C 0.235 174.839 174.600 0.007 0.000 1.326 47 S CA -0.563 57.673 58.200 0.060 0.000 1.045 47 S CB 1.169 64.406 63.200 0.062 0.000 0.918 47 S HN 0.832 nan 8.310 nan 0.000 0.505 68 I N 3.294 123.920 120.570 0.092 0.000 2.315 68 I HA 0.402 4.576 4.170 0.006 0.000 0.291 68 I C 0.643 176.824 176.117 0.107 0.000 1.006 68 I CA -0.534 60.816 61.300 0.083 0.000 1.265 68 I CB 1.387 39.468 38.000 0.135 0.000 1.387 68 I HN 0.133 nan 8.210 nan 0.000 0.475 69 T N 4.947 119.523 114.554 0.037 0.000 2.945 69 T HA 0.834 5.187 4.350 0.006 0.000 0.286 69 T C -0.271 174.361 174.700 -0.113 0.000 1.025 69 T CA -0.679 61.428 62.100 0.012 0.000 1.039 69 T CB 2.200 71.069 68.868 0.002 0.000 1.068 69 T HN 0.568 nan 8.240 nan 0.000 0.497 70 I N -2.062 118.422 120.570 -0.144 0.000 3.239 70 I HA 0.646 4.820 4.170 0.006 0.000 0.314 70 I C -0.617 175.386 176.117 -0.190 0.000 1.126 70 I CA -1.701 59.488 61.300 -0.185 0.000 0.973 70 I CB 2.208 40.139 38.000 -0.115 0.000 1.252 70 I HN 0.638 nan 8.210 nan 0.000 0.463 71 K N 2.017 122.306 120.400 -0.184 0.000 2.312 71 K HA 0.203 4.526 4.320 0.006 0.000 0.287 71 K C 0.005 176.500 176.600 -0.174 0.000 1.062 71 K CA -0.153 56.033 56.287 -0.168 0.000 0.934 71 K CB 0.979 33.391 32.500 -0.147 0.000 1.027 71 K HN 0.713 nan 8.250 nan 0.000 0.478 72 S N 3.362 118.955 115.700 -0.179 0.000 2.714 72 S HA -0.030 4.444 4.470 0.006 0.000 0.318 72 S C 0.464 174.948 174.600 -0.194 0.000 1.219 72 S CA 0.109 58.202 58.200 -0.178 0.000 1.175 72 S CB 0.081 63.183 63.200 -0.162 0.000 0.961 72 S HN 0.741 nan 8.310 nan 0.000 0.518 73 T N 4.113 118.519 114.554 -0.247 0.000 2.999 73 T HA 0.512 4.866 4.350 0.006 0.000 0.247 73 T C 0.327 174.825 174.700 -0.337 0.000 1.012 73 T CA 0.488 62.349 62.100 -0.399 0.000 1.048 73 T CB 0.420 68.830 68.868 -0.763 0.000 1.020 73 T HN 0.762 nan 8.240 nan 0.000 0.478 74 A N 0.723 123.442 122.820 -0.169 0.000 2.587 74 A HA 0.812 5.135 4.320 0.006 0.000 0.293 74 A C -1.804 175.800 177.584 0.033 0.000 1.087 74 A CA -0.727 51.312 52.037 0.003 0.000 0.692 74 A CB 1.196 20.327 19.000 0.219 0.000 1.291 74 A HN 0.279 nan 8.150 nan 0.000 0.407 75 I N 0.891 121.494 120.570 0.055 0.000 2.545 75 I HA 0.363 4.537 4.170 0.006 0.000 0.292 75 I C -0.070 176.100 176.117 0.088 0.000 1.040 75 I CA -0.522 60.813 61.300 0.058 0.000 1.068 75 I CB 2.387 40.409 38.000 0.036 0.000 1.251 75 I HN 0.515 nan 8.210 nan 0.000 0.424 76 S N 5.964 121.728 115.700 0.107 0.000 2.475 76 S HA 0.601 5.074 4.470 0.006 0.000 0.281 76 S C -0.544 174.147 174.600 0.152 0.000 1.198 76 S CA -0.441 57.838 58.200 0.132 0.000 1.063 76 S CB 0.779 64.069 63.200 0.149 0.000 0.972 76 S HN 0.210 nan 8.310 nan 0.000 0.486 77 L N 3.673 124.991 121.223 0.158 0.000 2.362 77 L HA 0.514 4.857 4.340 0.006 0.000 0.275 77 L C -0.817 176.204 176.870 0.251 0.000 0.998 77 L CA -0.557 54.387 54.840 0.174 0.000 0.820 77 L CB 1.238 43.361 42.059 0.106 0.000 1.270 77 L HN 0.679 nan 8.230 nan 0.000 0.415 78 Y N 2.318 122.719 120.300 0.169 0.000 2.377 78 Y HA 0.743 5.297 4.550 0.006 0.000 0.339 78 Y C -0.390 175.613 175.900 0.172 0.000 1.011 78 Y CA -0.387 57.841 58.100 0.212 0.000 1.093 78 Y CB 1.943 40.625 38.460 0.370 0.000 1.201 78 Y HN 0.562 nan 8.280 nan 0.000 0.455 79 S N 5.180 120.496 115.700 -0.640 0.000 2.566 79 S HA 0.412 4.886 4.470 0.006 0.000 0.273 79 S C -1.819 172.505 174.600 -0.461 0.000 1.157 79 S CA -0.837 57.110 58.200 -0.423 0.000 0.938 79 S CB 0.708 63.830 63.200 -0.129 0.000 1.087 79 S HN 0.777 nan 8.310 nan 0.000 0.474 80 E N 5.081 125.100 120.200 -0.302 0.000 2.207 80 E HA 0.720 5.074 4.350 0.006 0.000 0.270 80 E C -0.714 175.906 176.600 0.032 0.000 0.927 80 E CA -1.033 55.310 56.400 -0.095 0.000 0.799 80 E CB 1.596 31.286 29.700 -0.017 0.000 1.172 80 E HN 0.486 nan 8.360 nan 0.000 0.404 81 M N 0.915 120.577 119.600 0.104 0.000 2.691 81 M HA 0.377 4.861 4.480 0.006 0.000 0.293 81 M C -0.455 175.889 176.300 0.074 0.000 1.259 81 M CA -1.112 54.243 55.300 0.091 0.000 0.827 81 M CB 2.325 35.001 32.600 0.126 0.000 1.753 81 M HN 0.459 nan 8.290 nan 0.000 0.465 82 S N 0.851 116.582 115.700 0.052 0.000 2.584 82 S HA 0.105 4.578 4.470 0.006 0.000 0.273 82 S C 0.301 174.927 174.600 0.043 0.000 1.311 82 S CA -0.566 57.658 58.200 0.040 0.000 1.034 82 S CB 0.688 63.905 63.200 0.028 0.000 0.939 82 S HN 0.600 nan 8.310 nan 0.000 0.513 83 D N 1.563 121.982 120.400 0.032 0.000 2.203 83 D HA -0.215 4.429 4.640 0.006 0.000 0.199 83 D C 1.563 177.880 176.300 0.029 0.000 0.997 83 D CA 1.346 55.363 54.000 0.029 0.000 0.863 83 D CB -0.069 40.742 40.800 0.018 0.000 0.928 83 D HN 0.773 nan 8.370 nan 0.000 0.458 84 E N 0.463 120.678 120.200 0.025 0.000 2.051 84 E HA -0.209 4.144 4.350 0.006 0.000 0.192 84 E C 1.261 177.874 176.600 0.021 0.000 0.991 84 E CA 1.258 57.671 56.400 0.021 0.000 0.799 84 E CB 0.106 29.817 29.700 0.018 0.000 0.748 84 E HN 0.187 nan 8.360 nan 0.000 0.449 85 D N 0.289 120.703 120.400 0.025 0.000 2.097 85 D HA -0.149 4.494 4.640 0.006 0.000 0.195 85 D C 2.137 178.451 176.300 0.023 0.000 0.989 85 D CA 1.205 55.215 54.000 0.017 0.000 0.827 85 D CB -0.274 40.537 40.800 0.019 0.000 0.966 85 D HN 0.145 nan 8.370 nan 0.000 0.456 86 V N 1.044 120.996 119.914 0.063 0.000 2.546 86 V HA -0.256 3.868 4.120 0.006 0.000 0.254 86 V C 2.218 178.342 176.094 0.050 0.000 1.076 86 V CA 1.526 63.884 62.300 0.097 0.000 1.087 86 V CB -0.439 31.448 31.823 0.107 0.000 0.674 86 V HN 0.035 nan 8.190 nan 0.000 0.470 87 K N 0.358 120.774 120.400 0.028 0.000 2.155 87 K HA -0.082 4.242 4.320 0.006 0.000 0.203 87 K C 1.950 178.550 176.600 -0.000 0.000 1.052 87 K CA 0.943 57.239 56.287 0.015 0.000 0.948 87 K CB -0.319 32.190 32.500 0.014 0.000 0.728 87 K HN 0.573 nan 8.250 nan 0.000 0.448 88 E N 0.165 120.356 120.200 -0.014 0.000 2.472 88 E HA -0.055 4.298 4.350 0.006 0.000 0.200 88 E C -0.269 176.284 176.600 -0.078 0.000 1.046 88 E CA 0.182 56.560 56.400 -0.038 0.000 0.871 88 E CB -0.071 29.603 29.700 -0.043 0.000 0.806 88 E HN 0.279 nan 8.360 nan 0.000 0.533 89 I N 2.347 122.878 120.570 -0.065 0.000 2.363 89 I HA 0.008 4.182 4.170 0.006 0.000 0.292 89 I C 0.464 176.555 176.117 -0.042 0.000 1.075 89 I CA 0.063 61.312 61.300 -0.085 0.000 1.333 89 I CB 0.603 38.575 38.000 -0.047 0.000 1.415 89 I HN -0.205 nan 8.210 nan 0.000 0.502 90 K N 8.217 128.587 120.400 -0.051 0.000 3.006 90 K HA 0.114 4.438 4.320 0.006 0.000 0.265 90 K C -0.339 176.263 176.600 0.002 0.000 1.279 90 K CA -0.097 56.182 56.287 -0.014 0.000 1.229 90 K CB -0.261 32.236 32.500 -0.005 0.000 1.555 90 K HN 0.641 nan 8.250 nan 0.000 0.300 91 Q N -0.665 119.140 119.800 0.009 0.000 2.599 91 Q HA 0.142 4.486 4.340 0.006 0.000 0.248 91 Q C -1.409 174.610 176.000 0.032 0.000 0.964 91 Q CA -1.075 54.742 55.803 0.025 0.000 1.011 91 Q CB 0.758 29.513 28.738 0.029 0.000 1.592 91 Q HN 0.052 nan 8.270 nan 0.000 0.443 92 K N 1.693 122.113 120.400 0.033 0.000 2.578 92 K HA 0.081 4.405 4.320 0.006 0.000 0.279 92 K C -0.552 176.078 176.600 0.050 0.000 0.983 92 K CA 1.837 58.144 56.287 0.034 0.000 1.078 92 K CB 0.355 32.870 32.500 0.025 0.000 0.852 92 K HN 0.835 nan 8.250 nan 0.000 0.490 93 T N 0.272 114.857 114.554 0.051 0.000 2.681 93 T HA 0.470 4.824 4.350 0.006 0.000 0.296 93 T C -1.483 173.225 174.700 0.014 0.000 1.157 93 T CA -0.811 61.331 62.100 0.070 0.000 1.025 93 T CB 1.643 70.602 68.868 0.152 0.000 1.441 93 T HN 0.590 nan 8.240 nan 0.000 0.504 94 D N -1.070 119.308 120.400 -0.036 0.000 2.300 94 D HA 0.501 5.145 4.640 0.006 0.000 0.218 94 D C -0.041 176.170 176.300 -0.148 0.000 1.326 94 D CA 1.154 55.112 54.000 -0.070 0.000 0.942 94 D CB 0.634 41.403 40.800 -0.052 0.000 1.495 94 D HN 1.420 nan 8.370 nan 0.000 0.545 95 G N 2.674 111.391 108.800 -0.138 0.000 2.612 95 G HA2 -0.120 3.843 3.960 0.006 0.000 0.686 95 G HA3 -0.120 3.843 3.960 0.006 0.000 0.686 95 G C 0.009 174.753 174.900 -0.259 0.000 1.274 95 G CA -0.480 44.514 45.100 -0.177 0.000 0.849 95 G HN 0.432 nan 8.290 nan 0.000 0.595 96 N N -0.377 118.199 118.700 -0.207 0.000 2.236 96 N HA 0.164 4.908 4.740 0.006 0.000 0.196 96 N C 0.488 175.828 175.510 -0.282 0.000 1.114 96 N CA 0.504 53.455 53.050 -0.164 0.000 0.859 96 N CB 0.774 39.247 38.487 -0.024 0.000 0.982 96 N HN 0.451 nan 8.380 nan 0.000 0.493 97 S N 0.546 116.000 115.700 -0.410 0.000 2.578 97 S HA 0.574 5.047 4.470 0.006 0.000 0.283 97 S C -0.649 173.532 174.600 -0.698 0.000 1.195 97 S CA -0.268 57.742 58.200 -0.317 0.000 1.050 97 S CB 0.781 63.998 63.200 0.030 0.000 1.012 97 S HN 0.029 nan 8.310 nan 0.000 0.511 98 F N 1.495 121.364 119.950 -0.134 0.000 2.581 98 F HA 0.506 5.037 4.527 0.007 0.000 0.311 98 F C -0.668 175.116 175.800 -0.027 0.000 1.113 98 F CA -0.907 57.042 58.000 -0.084 0.000 0.935 98 F CB 1.398 40.330 39.000 -0.113 0.000 1.232 98 F HN 0.303 nan 8.300 nan 0.000 0.445 99 L N 4.848 126.198 121.223 0.213 0.000 2.287 99 L HA 0.676 5.019 4.340 0.006 0.000 0.287 99 L C -1.063 175.884 176.870 0.130 0.000 1.022 99 L CA -0.415 54.523 54.840 0.164 0.000 0.814 99 L CB 0.810 42.928 42.059 0.099 0.000 1.217 99 L HN 0.482 nan 8.230 nan 0.000 0.420 100 I N 5.209 125.849 120.570 0.116 0.000 2.389 100 I HA 0.364 4.537 4.170 0.006 0.000 0.288 100 I C -0.493 175.670 176.117 0.077 0.000 0.999 100 I CA -0.563 60.783 61.300 0.076 0.000 1.129 100 I CB 1.279 39.310 38.000 0.053 0.000 1.288 100 I HN 0.529 nan 8.210 nan 0.000 0.444 101 N N 6.828 125.566 118.700 0.064 0.000 2.589 101 N HA 0.214 4.958 4.740 0.006 0.000 0.232 101 N C -0.748 174.806 175.510 0.074 0.000 1.015 101 N CA -0.503 52.593 53.050 0.076 0.000 0.931 101 N CB 1.668 40.197 38.487 0.069 0.000 1.150 101 N HN 0.400 nan 8.380 nan 0.000 0.512 102 L N 4.359 125.624 121.223 0.070 0.000 2.363 102 L HA 0.397 4.741 4.340 0.006 0.000 0.286 102 L C -0.306 176.601 176.870 0.061 0.000 1.106 102 L CA -0.121 54.750 54.840 0.052 0.000 0.859 102 L CB -0.198 41.883 42.059 0.035 0.000 1.223 102 L HN 0.352 nan 8.230 nan 0.000 0.446 103 I N 4.048 124.664 120.570 0.077 0.000 2.371 103 I HA 0.118 4.292 4.170 0.006 0.000 0.290 103 I C 0.404 176.537 176.117 0.027 0.000 1.028 103 I CA -0.511 60.843 61.300 0.090 0.000 1.345 103 I CB 0.917 39.017 38.000 0.167 0.000 1.407 103 I HN 0.580 nan 8.210 nan 0.000 0.501 104 D N 5.027 125.410 120.400 -0.029 0.000 2.400 104 D HA 0.170 4.813 4.640 0.006 0.000 0.238 104 D C -0.340 175.939 176.300 -0.034 0.000 1.157 104 D CA 0.254 54.223 54.000 -0.053 0.000 0.889 104 D CB 0.795 41.532 40.800 -0.105 0.000 1.199 104 D HN 0.564 nan 8.370 nan 0.000 0.436 105 S N 1.470 117.150 115.700 -0.034 0.000 2.632 105 S HA 0.782 5.255 4.470 0.006 0.000 0.289 105 S C -2.713 171.858 174.600 -0.048 0.000 1.115 105 S CA -1.390 56.800 58.200 -0.017 0.000 0.889 105 S CB 1.522 64.723 63.200 0.003 0.000 1.116 105 S HN 0.277 nan 8.310 nan 0.000 0.486 106 P HA 0.335 nan 4.420 nan 0.000 0.273 106 P C 0.882 178.166 177.300 -0.027 0.000 1.250 106 P CA -0.302 62.743 63.100 -0.091 0.000 0.793 106 P CB 0.156 31.871 31.700 0.026 0.000 1.011 107 G N -1.397 107.395 108.800 -0.013 0.000 2.490 107 G HA2 -0.027 3.936 3.960 0.006 0.000 0.211 107 G HA3 -0.027 3.936 3.960 0.006 0.000 0.211 107 G C 0.014 174.983 174.900 0.116 0.000 1.159 107 G CA 0.790 45.912 45.100 0.037 0.000 0.819 107 G HN 0.528 nan 8.290 nan 0.000 0.539 108 H N -1.376 117.848 119.070 0.257 0.000 2.573 108 H HA 0.458 5.018 4.556 0.006 0.000 0.351 108 H C 1.227 176.706 175.328 0.252 0.000 1.163 108 H CA -0.693 55.470 56.048 0.192 0.000 1.205 108 H CB 2.246 32.102 29.762 0.156 0.000 1.605 108 H HN -0.160 nan 8.280 nan 0.000 0.525 109 V N 1.819 121.737 119.914 0.006 0.000 2.626 109 V HA -0.223 3.900 4.120 0.006 0.000 0.252 109 V C 1.463 177.682 176.094 0.209 0.000 1.067 109 V CA 1.793 64.199 62.300 0.177 0.000 1.081 109 V CB -0.334 31.552 31.823 0.105 0.000 0.686 109 V HN 0.822 nan 8.190 nan 0.000 0.468 110 D N 0.581 121.088 120.400 0.177 0.000 2.239 110 D HA -0.198 4.445 4.640 0.006 0.000 0.202 110 D C 1.540 177.692 176.300 -0.247 0.000 0.993 110 D CA 1.373 55.304 54.000 -0.114 0.000 0.874 110 D CB -0.303 40.337 40.800 -0.267 0.000 0.922 110 D HN 0.512 nan 8.370 nan 0.000 0.464 111 F N 1.650 121.652 119.950 0.086 0.000 2.772 111 F HA -0.057 4.473 4.527 0.006 0.000 0.301 111 F C 1.978 177.806 175.800 0.047 0.000 1.250 111 F CA -0.081 57.962 58.000 0.072 0.000 1.441 111 F CB -0.788 38.276 39.000 0.106 0.000 1.112 111 F HN -0.172 nan 8.300 nan 0.000 0.563 112 S N -0.181 115.528 115.700 0.016 0.000 2.507 112 S HA -0.433 4.041 4.470 0.006 0.000 0.327 112 S C 2.269 176.889 174.600 0.034 0.000 1.255 112 S CA 2.231 60.315 58.200 -0.193 0.000 1.276 112 S CB -1.224 61.607 63.200 -0.615 0.000 1.296 112 S HN 0.514 nan 8.310 nan 0.000 0.459 113 S N 2.064 117.749 115.700 -0.025 0.000 2.387 113 S HA -0.213 4.261 4.470 0.006 0.000 0.230 113 S C 1.967 176.644 174.600 0.127 0.000 1.035 113 S CA 1.688 59.855 58.200 -0.056 0.000 1.014 113 S CB -0.486 62.594 63.200 -0.200 0.000 0.836 113 S HN 0.888 nan 8.310 nan 0.000 0.466 114 E N 0.535 120.899 120.200 0.273 0.000 2.474 114 E HA 0.079 4.432 4.350 0.006 0.000 0.194 114 E C 1.529 178.273 176.600 0.239 0.000 1.041 114 E CA 0.275 56.860 56.400 0.308 0.000 0.874 114 E CB -0.075 29.792 29.700 0.280 0.000 0.914 114 E HN 0.295 nan 8.360 nan 0.000 0.498 115 V N 1.407 121.477 119.914 0.259 0.000 2.346 115 V HA -0.189 3.934 4.120 0.006 0.000 0.244 115 V C 2.245 178.457 176.094 0.198 0.000 1.037 115 V CA 2.120 64.564 62.300 0.239 0.000 1.029 115 V CB -0.492 31.545 31.823 0.357 0.000 0.663 115 V HN 0.376 nan 8.190 nan 0.000 0.454 116 T N 0.587 115.275 114.554 0.224 0.000 2.788 116 T HA -0.167 4.187 4.350 0.006 0.000 0.268 116 T C 2.064 176.862 174.700 0.164 0.000 1.044 116 T CA 1.531 63.731 62.100 0.168 0.000 1.139 116 T CB -0.408 68.550 68.868 0.151 0.000 0.867 116 T HN 0.554 nan 8.240 nan 0.000 0.454 117 A N 1.584 124.531 122.820 0.212 0.000 1.865 117 A HA 0.055 4.378 4.320 0.006 0.000 0.217 117 A C 2.659 180.394 177.584 0.252 0.000 1.191 117 A CA 2.022 54.225 52.037 0.277 0.000 0.623 117 A CB -1.197 18.007 19.000 0.340 0.000 0.826 117 A HN 0.523 nan 8.150 nan 0.000 0.444 118 A N -0.456 122.485 122.820 0.201 0.000 1.898 118 A HA 0.018 4.342 4.320 0.006 0.000 0.216 118 A C 2.197 179.866 177.584 0.141 0.000 1.181 118 A CA 1.408 53.550 52.037 0.175 0.000 0.620 118 A CB -0.621 18.451 19.000 0.119 0.000 0.819 118 A HN 0.469 nan 8.150 nan 0.000 0.442 119 L N -1.136 120.153 121.223 0.109 0.000 2.012 119 L HA -0.215 4.129 4.340 0.006 0.000 0.210 119 L C 2.763 179.681 176.870 0.080 0.000 1.073 119 L CA 1.915 56.799 54.840 0.073 0.000 0.748 119 L CB -0.519 41.566 42.059 0.042 0.000 0.891 119 L HN 0.430 nan 8.230 nan 0.000 0.431 120 R N 0.220 120.773 120.500 0.087 0.000 2.170 120 R HA -0.168 4.176 4.340 0.006 0.000 0.242 120 R C 1.821 178.170 176.300 0.081 0.000 1.145 120 R CA 1.782 57.908 56.100 0.044 0.000 0.984 120 R CB -0.099 30.204 30.300 0.005 0.000 0.869 120 R HN 0.460 nan 8.270 nan 0.000 0.455 121 V N -2.530 117.468 119.914 0.139 0.000 3.621 121 V HA 0.201 4.324 4.120 0.006 0.000 0.285 121 V C 0.593 176.740 176.094 0.088 0.000 1.346 121 V CA 0.242 62.628 62.300 0.143 0.000 1.104 121 V CB -0.102 31.814 31.823 0.156 0.000 0.913 121 V HN 0.281 nan 8.190 nan 0.000 0.432 122 T N -2.991 111.618 114.554 0.092 0.000 2.944 122 T HA 0.541 4.895 4.350 0.006 0.000 0.284 122 T C 0.170 174.907 174.700 0.061 0.000 1.010 122 T CA -0.040 62.099 62.100 0.064 0.000 1.025 122 T CB 2.220 71.124 68.868 0.061 0.000 1.079 122 T HN 0.175 nan 8.240 nan 0.000 0.516 123 D N 0.320 120.747 120.400 0.045 0.000 2.626 123 D HA 0.253 4.896 4.640 0.006 0.000 0.274 123 D C 1.120 177.454 176.300 0.056 0.000 1.045 123 D CA 0.354 54.385 54.000 0.051 0.000 0.925 123 D CB 0.026 40.843 40.800 0.028 0.000 1.260 123 D HN 0.782 nan 8.370 nan 0.000 0.490 124 G N -0.281 108.540 108.800 0.035 0.000 2.601 124 G HA2 0.669 4.632 3.960 0.006 0.000 0.317 124 G HA3 0.669 4.632 3.960 0.006 0.000 0.317 124 G C -1.197 173.707 174.900 0.007 0.000 1.246 124 G CA -0.316 44.797 45.100 0.021 0.000 1.012 124 G HN 0.213 nan 8.290 nan 0.000 0.494 125 A N -0.545 122.267 122.820 -0.013 0.000 2.512 125 A HA 0.501 4.824 4.320 0.006 0.000 0.294 125 A C -1.458 176.096 177.584 -0.050 0.000 1.054 125 A CA -0.530 51.492 52.037 -0.026 0.000 0.756 125 A CB 1.530 20.514 19.000 -0.028 0.000 1.293 125 A HN 1.268 nan 8.150 nan 0.000 0.395 126 L N 3.913 125.105 121.223 -0.052 0.000 2.328 126 L HA 0.508 4.852 4.340 0.006 0.000 0.280 126 L C -0.607 176.216 176.870 -0.078 0.000 1.111 126 L CA -0.099 54.696 54.840 -0.074 0.000 0.909 126 L CB 0.603 42.623 42.059 -0.067 0.000 1.277 126 L HN 0.433 nan 8.230 nan 0.000 0.433 127 V N 5.832 125.689 119.914 -0.095 0.000 2.415 127 V HA 0.168 4.292 4.120 0.006 0.000 0.267 127 V C 0.346 176.379 176.094 -0.100 0.000 1.042 127 V CA -0.442 61.805 62.300 -0.088 0.000 1.000 127 V CB 0.910 32.676 31.823 -0.095 0.000 1.015 127 V HN 0.415 nan 8.190 nan 0.000 0.478 128 V N 6.727 126.602 119.914 -0.066 0.000 2.406 128 V HA 0.376 4.500 4.120 0.006 0.000 0.272 128 V C 0.197 176.273 176.094 -0.029 0.000 1.043 128 V CA -0.190 62.071 62.300 -0.065 0.000 0.915 128 V CB 1.501 33.305 31.823 -0.030 0.000 0.988 128 V HN 0.614 nan 8.190 nan 0.000 0.466 129 V N 3.723 123.584 119.914 -0.089 0.000 2.919 129 V HA 0.446 4.570 4.120 0.006 0.000 0.316 129 V C -0.435 175.552 176.094 -0.178 0.000 1.077 129 V CA -0.751 61.499 62.300 -0.084 0.000 0.977 129 V CB 2.419 34.187 31.823 -0.091 0.000 1.039 129 V HN 0.961 nan 8.190 nan 0.000 0.441 130 D N 0.865 121.102 120.400 -0.273 0.000 2.225 130 D HA 0.337 4.980 4.640 0.006 0.000 0.249 130 D C 0.988 177.208 176.300 -0.133 0.000 1.052 130 D CA -0.005 53.766 54.000 -0.381 0.000 0.909 130 D CB 2.073 42.420 40.800 -0.755 0.000 1.186 130 D HN 0.541 nan 8.370 nan 0.000 0.431 131 T N 2.613 117.135 114.554 -0.053 0.000 2.668 131 T HA -0.076 4.277 4.350 0.006 0.000 0.262 131 T C 1.868 176.604 174.700 0.060 0.000 1.045 131 T CA 0.883 63.046 62.100 0.104 0.000 1.152 131 T CB -0.186 68.790 68.868 0.180 0.000 0.864 131 T HN 0.419 nan 8.240 nan 0.000 0.419 132 I N 0.932 121.508 120.570 0.010 0.000 2.162 132 I HA -0.104 4.070 4.170 0.006 0.000 0.238 132 I C 2.539 178.656 176.117 -0.000 0.000 1.076 132 I CA 1.434 62.739 61.300 0.009 0.000 1.353 132 I CB -0.433 37.570 38.000 0.005 0.000 1.063 132 I HN 0.325 nan 8.210 nan 0.000 0.408 133 E N 0.751 120.935 120.200 -0.026 0.000 2.274 133 E HA 0.065 4.419 4.350 0.006 0.000 0.194 133 E C 1.318 177.916 176.600 -0.003 0.000 0.996 133 E CA 0.543 56.938 56.400 -0.007 0.000 0.840 133 E CB -0.036 29.673 29.700 0.016 0.000 0.772 133 E HN 0.614 nan 8.360 nan 0.000 0.491 134 G N 0.972 109.759 108.800 -0.022 0.000 2.527 134 G HA2 -0.320 3.643 3.960 0.006 0.000 0.268 134 G HA3 -0.320 3.643 3.960 0.006 0.000 0.268 134 G C -0.064 174.835 174.900 -0.001 0.000 1.175 134 G CA -0.187 44.910 45.100 -0.004 0.000 0.962 134 G HN 0.134 nan 8.290 nan 0.000 0.560 135 V N 1.681 121.602 119.914 0.012 0.000 2.385 135 V HA 0.430 4.554 4.120 0.006 0.000 0.269 135 V C 1.475 177.590 176.094 0.034 0.000 1.043 135 V CA -0.129 62.183 62.300 0.021 0.000 0.906 135 V CB -0.017 31.808 31.823 0.003 0.000 0.995 135 V HN 1.375 nan 8.190 nan 0.000 0.467 136 C N 4.838 124.174 119.300 0.061 0.000 2.520 136 C HA 0.549 5.012 4.460 0.006 0.000 0.376 136 C C 1.863 176.857 174.990 0.007 0.000 1.268 136 C CA -0.450 58.583 59.018 0.026 0.000 2.414 136 C CB 0.569 28.296 27.740 -0.021 0.000 2.521 136 C HN 0.657 nan 8.230 nan 0.000 0.618 137 V N 2.138 122.051 119.914 -0.002 0.000 2.220 137 V HA -0.319 3.804 4.120 0.006 0.000 0.250 137 V C 2.833 178.921 176.094 -0.011 0.000 1.056 137 V CA 2.785 65.083 62.300 -0.004 0.000 1.016 137 V CB -1.504 30.319 31.823 0.000 0.000 0.639 137 V HN 1.092 nan 8.190 nan 0.000 0.446 138 Q N 0.054 119.855 119.800 0.001 0.000 2.062 138 Q HA -0.300 4.043 4.340 0.006 0.000 0.209 138 Q C 2.137 178.118 176.000 -0.032 0.000 0.996 138 Q CA 2.972 58.769 55.803 -0.010 0.000 0.859 138 Q CB -0.546 28.196 28.738 0.007 0.000 0.920 138 Q HN 0.652 nan 8.270 nan 0.000 0.415 139 T N 0.754 115.306 114.554 -0.004 0.000 2.833 139 T HA -0.185 4.168 4.350 0.006 0.000 0.269 139 T C 1.534 176.199 174.700 -0.058 0.000 1.054 139 T CA 1.455 63.542 62.100 -0.021 0.000 1.135 139 T CB -0.226 68.655 68.868 0.023 0.000 0.869 139 T HN 0.482 nan 8.240 nan 0.000 0.466 140 E N 0.350 120.521 120.200 -0.049 0.000 2.110 140 E HA -0.148 4.205 4.350 0.006 0.000 0.193 140 E C 2.092 178.615 176.600 -0.129 0.000 0.988 140 E CA 1.307 57.667 56.400 -0.066 0.000 0.804 140 E CB -0.022 29.657 29.700 -0.035 0.000 0.745 140 E HN 0.386 nan 8.360 nan 0.000 0.458 141 T N 0.449 114.919 114.554 -0.140 0.000 2.674 141 T HA -0.132 4.222 4.350 0.006 0.000 0.265 141 T C 1.953 176.444 174.700 -0.348 0.000 1.039 141 T CA 1.464 63.431 62.100 -0.222 0.000 1.150 141 T CB -0.284 68.492 68.868 -0.153 0.000 0.864 141 T HN 0.031 nan 8.240 nan 0.000 0.427 142 V N 1.752 121.480 119.914 -0.310 0.000 2.324 142 V HA -0.157 3.966 4.120 0.006 0.000 0.250 142 V C 2.444 178.381 176.094 -0.262 0.000 1.060 142 V CA 1.428 63.525 62.300 -0.339 0.000 1.042 142 V CB -0.808 30.897 31.823 -0.196 0.000 0.650 142 V HN 0.302 nan 8.190 nan 0.000 0.450 143 L N 0.141 121.250 121.223 -0.191 0.000 2.012 143 L HA -0.192 4.152 4.340 0.006 0.000 0.210 143 L C 2.616 179.377 176.870 -0.183 0.000 1.073 143 L CA 1.975 56.726 54.840 -0.149 0.000 0.748 143 L CB -0.718 41.277 42.059 -0.107 0.000 0.891 143 L HN 0.202 nan 8.230 nan 0.000 0.431 144 R N -1.020 119.317 120.500 -0.271 0.000 2.122 144 R HA -0.225 4.118 4.340 0.006 0.000 0.236 144 R C 2.226 178.365 176.300 -0.267 0.000 1.129 144 R CA 1.924 57.801 56.100 -0.370 0.000 0.925 144 R CB -0.690 29.227 30.300 -0.638 0.000 0.850 144 R HN 0.490 nan 8.270 nan 0.000 0.431 145 Q N 0.083 119.695 119.800 -0.314 0.000 2.082 145 Q HA -0.243 4.100 4.340 0.006 0.000 0.211 145 Q C 2.194 178.105 176.000 -0.148 0.000 1.002 145 Q CA 2.117 57.767 55.803 -0.254 0.000 0.868 145 Q CB -0.663 27.828 28.738 -0.412 0.000 0.931 145 Q HN 0.423 nan 8.270 nan 0.000 0.414 146 A N 1.081 123.816 122.820 -0.142 0.000 1.859 146 A HA -0.208 4.116 4.320 0.006 0.000 0.217 146 A C 2.344 179.900 177.584 -0.047 0.000 1.198 146 A CA 1.787 53.779 52.037 -0.075 0.000 0.629 146 A CB -1.023 17.934 19.000 -0.072 0.000 0.830 146 A HN 0.365 nan 8.150 nan 0.000 0.446 147 L N -0.697 120.492 121.223 -0.056 0.000 2.081 147 L HA -0.207 4.136 4.340 0.006 0.000 0.212 147 L C 2.776 179.642 176.870 -0.006 0.000 1.080 147 L CA 1.181 56.008 54.840 -0.021 0.000 0.754 147 L CB -0.925 41.134 42.059 -0.000 0.000 0.893 147 L HN 0.541 nan 8.230 nan 0.000 0.433 148 G N -0.724 108.060 108.800 -0.026 0.000 2.448 148 G HA2 -0.192 3.772 3.960 0.006 0.000 0.219 148 G HA3 -0.192 3.772 3.960 0.006 0.000 0.219 148 G C 1.359 176.261 174.900 0.005 0.000 1.127 148 G CA 0.361 45.456 45.100 -0.009 0.000 0.766 148 G HN 0.355 nan 8.290 nan 0.000 0.552 149 E N 0.188 120.391 120.200 0.005 0.000 2.479 149 E HA 0.082 4.435 4.350 0.006 0.000 0.193 149 E C 0.233 176.868 176.600 0.059 0.000 1.049 149 E CA -0.263 56.149 56.400 0.021 0.000 0.870 149 E CB 0.220 29.929 29.700 0.015 0.000 0.944 149 E HN 0.388 nan 8.360 nan 0.000 0.492 150 R N 0.885 121.422 120.500 0.062 0.000 3.125 150 R HA -0.113 4.231 4.340 0.006 0.000 0.258 150 R C -0.455 175.934 176.300 0.149 0.000 0.968 150 R CA 0.362 56.529 56.100 0.111 0.000 0.656 150 R CB -1.919 28.517 30.300 0.226 0.000 1.251 150 R HN 0.110 nan 8.270 nan 0.000 0.428 151 I N 1.072 121.684 120.570 0.071 0.000 2.354 151 I HA 0.230 4.403 4.170 0.006 0.000 0.292 151 I C 0.923 177.058 176.117 0.030 0.000 0.989 151 I CA -0.575 60.762 61.300 0.062 0.000 1.188 151 I CB 1.636 39.650 38.000 0.024 0.000 1.342 151 I HN 0.073 nan 8.210 nan 0.000 0.457 152 K N 8.007 128.433 120.400 0.043 0.000 2.349 152 K HA 0.279 4.602 4.320 0.006 0.000 0.288 152 K C -2.324 174.259 176.600 -0.028 0.000 1.058 152 K CA -1.229 55.060 56.287 0.004 0.000 0.953 152 K CB 0.916 33.433 32.500 0.029 0.000 0.997 152 K HN 0.347 nan 8.250 nan 0.000 0.477 153 P HA 0.264 nan 4.420 nan 0.000 0.281 153 P C -0.945 176.286 177.300 -0.115 0.000 1.264 153 P CA -0.599 62.450 63.100 -0.085 0.000 0.824 153 P CB 1.562 33.202 31.700 -0.099 0.000 1.092 154 V N 1.310 121.147 119.914 -0.129 0.000 2.777 154 V HA 0.230 4.354 4.120 0.006 0.000 0.306 154 V C 0.013 175.993 176.094 -0.190 0.000 1.112 154 V CA -0.647 61.551 62.300 -0.169 0.000 0.917 154 V CB 2.463 34.208 31.823 -0.131 0.000 1.018 154 V HN 0.279 nan 8.190 nan 0.000 0.426 155 V N 4.941 124.704 119.914 -0.251 0.000 2.975 155 V HA 0.725 4.848 4.120 0.006 0.000 0.318 155 V C -0.568 175.319 176.094 -0.346 0.000 1.077 155 V CA -0.633 61.503 62.300 -0.273 0.000 1.000 155 V CB 2.232 33.882 31.823 -0.289 0.000 1.066 155 V HN 0.570 nan 8.190 nan 0.000 0.452 156 V N 3.475 123.190 119.914 -0.332 0.000 2.655 156 V HA 0.434 4.557 4.120 0.006 0.000 0.301 156 V C -0.776 175.106 176.094 -0.355 0.000 1.082 156 V CA -0.251 61.818 62.300 -0.385 0.000 0.899 156 V CB 1.884 33.541 31.823 -0.276 0.000 1.014 156 V HN 0.689 nan 8.190 nan 0.000 0.429 157 I N 4.766 125.062 120.570 -0.458 0.000 2.287 157 I HA 0.321 4.494 4.170 0.006 0.000 0.290 157 I C 0.382 176.355 176.117 -0.241 0.000 1.069 157 I CA 0.095 61.215 61.300 -0.301 0.000 1.237 157 I CB 0.802 38.629 38.000 -0.288 0.000 1.418 157 I HN 0.591 nan 8.210 nan 0.000 0.481 158 N N 4.743 123.320 118.700 -0.205 0.000 2.413 158 N HA 0.285 5.028 4.740 0.006 0.000 0.266 158 N C -0.241 175.169 175.510 -0.167 0.000 1.238 158 N CA -0.350 52.575 53.050 -0.208 0.000 0.972 158 N CB 0.620 39.001 38.487 -0.178 0.000 1.210 158 N HN 0.346 nan 8.380 nan 0.000 0.547 159 K N -0.682 119.606 120.400 -0.186 0.000 3.096 159 K HA -0.155 4.169 4.320 0.006 0.000 0.266 159 K C 0.523 177.093 176.600 -0.049 0.000 1.043 159 K CA 0.220 56.429 56.287 -0.131 0.000 0.758 159 K CB -2.029 30.404 32.500 -0.111 0.000 1.260 159 K HN 0.239 nan 8.250 nan 0.000 0.481 160 V N 1.056 120.945 119.914 -0.043 0.000 2.427 160 V HA -0.294 3.830 4.120 0.006 0.000 0.248 160 V C 2.572 178.764 176.094 0.163 0.000 1.051 160 V CA 2.263 64.652 62.300 0.150 0.000 1.048 160 V CB -0.389 31.594 31.823 0.266 0.000 0.666 160 V HN 0.610 nan 8.190 nan 0.000 0.456 161 D N 1.164 121.653 120.400 0.149 0.000 2.157 161 D HA -0.363 4.280 4.640 0.006 0.000 0.191 161 D C 2.117 178.525 176.300 0.181 0.000 1.004 161 D CA 2.110 56.268 54.000 0.264 0.000 0.854 161 D CB -0.552 40.292 40.800 0.074 0.000 0.936 161 D HN 0.442 nan 8.370 nan 0.000 0.446 162 R N 1.234 121.787 120.500 0.089 0.000 2.117 162 R HA -0.144 4.199 4.340 0.006 0.000 0.243 162 R C 2.513 178.858 176.300 0.075 0.000 1.143 162 R CA 1.712 57.857 56.100 0.076 0.000 0.968 162 R CB -0.357 29.968 30.300 0.041 0.000 0.863 162 R HN 0.274 nan 8.270 nan 0.000 0.444 163 A N 1.085 123.949 122.820 0.073 0.000 1.883 163 A HA -0.153 4.171 4.320 0.006 0.000 0.217 163 A C 2.124 179.722 177.584 0.024 0.000 1.186 163 A CA 1.443 53.511 52.037 0.052 0.000 0.624 163 A CB -0.470 18.568 19.000 0.064 0.000 0.822 163 A HN 0.315 nan 8.150 nan 0.000 0.444 164 L N -1.475 119.747 121.223 -0.003 0.000 2.004 164 L HA -0.086 4.257 4.340 0.006 0.000 0.205 164 L C 2.467 179.364 176.870 0.046 0.000 1.089 164 L CA 0.648 55.435 54.840 -0.088 0.000 0.756 164 L CB -1.137 40.755 42.059 -0.279 0.000 0.900 164 L HN 0.240 nan 8.230 nan 0.000 0.440 165 L N 0.292 121.610 121.223 0.157 0.000 1.976 165 L HA -0.285 4.059 4.340 0.006 0.000 0.223 165 L C 2.671 179.596 176.870 0.091 0.000 1.081 165 L CA 2.008 56.937 54.840 0.148 0.000 0.784 165 L CB -0.921 41.252 42.059 0.191 0.000 0.896 165 L HN 0.376 nan 8.230 nan 0.000 0.438 166 E N -0.809 119.441 120.200 0.082 0.000 2.021 166 E HA -0.168 4.185 4.350 0.006 0.000 0.189 166 E C 2.142 178.772 176.600 0.050 0.000 0.980 166 E CA 0.855 57.292 56.400 0.062 0.000 0.803 166 E CB -0.046 29.689 29.700 0.058 0.000 0.766 166 E HN 0.266 nan 8.360 nan 0.000 0.449 167 L N 1.089 122.340 121.223 0.047 0.000 2.395 167 L HA -0.000 4.343 4.340 0.006 0.000 0.218 167 L C 0.631 177.526 176.870 0.041 0.000 1.130 167 L CA 0.919 55.783 54.840 0.040 0.000 0.826 167 L CB -0.359 41.722 42.059 0.036 0.000 0.941 167 L HN 0.185 nan 8.230 nan 0.000 0.451 168 Q N -0.041 119.782 119.800 0.039 0.000 2.439 168 Q HA -0.175 4.168 4.340 0.006 0.000 0.325 168 Q C -0.022 176.018 176.000 0.067 0.000 1.372 168 Q CA 0.409 56.236 55.803 0.042 0.000 0.909 168 Q CB -1.952 26.814 28.738 0.047 0.000 1.167 168 Q HN 0.447 nan 8.270 nan 0.000 0.418 169 V N -1.708 118.250 119.914 0.073 0.000 3.051 169 V HA 0.514 4.638 4.120 0.006 0.000 0.306 169 V C 0.987 177.212 176.094 0.218 0.000 1.083 169 V CA -0.069 62.295 62.300 0.107 0.000 1.104 169 V CB 1.761 33.632 31.823 0.081 0.000 1.027 169 V HN 0.415 nan 8.190 nan 0.000 0.483 170 S N 2.425 118.218 115.700 0.155 0.000 2.645 170 S HA 0.347 4.821 4.470 0.006 0.000 0.266 170 S C 0.801 175.438 174.600 0.061 0.000 1.258 170 S CA -0.189 58.088 58.200 0.128 0.000 0.990 170 S CB 0.881 64.097 63.200 0.026 0.000 0.967 170 S HN 0.796 nan 8.310 nan 0.000 0.556 171 K N 0.524 120.764 120.400 -0.267 0.000 2.032 171 K HA -0.176 4.148 4.320 0.006 0.000 0.209 171 K C 2.098 178.616 176.600 -0.138 0.000 1.048 171 K CA 1.847 57.843 56.287 -0.485 0.000 0.927 171 K CB -0.372 31.730 32.500 -0.663 0.000 0.712 171 K HN 0.755 nan 8.250 nan 0.000 0.441 172 E N 1.516 121.655 120.200 -0.102 0.000 2.106 172 E HA -0.173 4.181 4.350 0.006 0.000 0.192 172 E C 1.472 178.091 176.600 0.032 0.000 0.984 172 E CA 1.486 57.872 56.400 -0.024 0.000 0.806 172 E CB -0.073 29.601 29.700 -0.043 0.000 0.750 172 E HN 0.162 nan 8.360 nan 0.000 0.458 173 D N -0.093 120.312 120.400 0.009 0.000 2.117 173 D HA -0.158 4.485 4.640 0.006 0.000 0.197 173 D C 1.934 178.209 176.300 -0.042 0.000 0.987 173 D CA 0.919 54.920 54.000 0.003 0.000 0.829 173 D CB -0.352 40.457 40.800 0.015 0.000 0.961 173 D HN 0.222 nan 8.370 nan 0.000 0.460 174 L N 0.126 121.318 121.223 -0.051 0.000 2.046 174 L HA -0.186 4.158 4.340 0.006 0.000 0.208 174 L C 2.261 178.857 176.870 -0.455 0.000 1.077 174 L CA 1.504 56.198 54.840 -0.243 0.000 0.747 174 L CB -0.886 41.122 42.059 -0.086 0.000 0.896 174 L HN 0.031 nan 8.230 nan 0.000 0.432 175 Y N 0.003 120.149 120.300 -0.257 0.000 2.070 175 Y HA -0.299 4.253 4.550 0.004 0.000 0.280 175 Y C 2.574 178.380 175.900 -0.156 0.000 1.148 175 Y CA 2.153 60.137 58.100 -0.193 0.000 1.125 175 Y CB -0.410 37.941 38.460 -0.181 0.000 0.975 175 Y HN 0.279 nan 8.280 nan 0.000 0.492 176 Q N -0.158 119.575 119.800 -0.112 0.000 2.152 176 Q HA -0.177 4.166 4.340 0.006 0.000 0.206 176 Q C 2.208 178.123 176.000 -0.141 0.000 0.985 176 Q CA 2.145 57.860 55.803 -0.146 0.000 0.863 176 Q CB -0.952 27.782 28.738 -0.007 0.000 0.904 176 Q HN 0.554 nan 8.270 nan 0.000 0.422 177 T N 1.058 115.525 114.554 -0.144 0.000 2.674 177 T HA -0.107 4.246 4.350 0.006 0.000 0.265 177 T C 1.575 176.317 174.700 0.071 0.000 1.039 177 T CA 1.197 63.256 62.100 -0.070 0.000 1.150 177 T CB -0.339 68.456 68.868 -0.122 0.000 0.864 177 T HN 0.123 nan 8.240 nan 0.000 0.427 178 F N 2.067 122.056 119.950 0.065 0.000 2.091 178 F HA -0.055 4.477 4.527 0.008 0.000 0.299 178 F C 2.731 178.601 175.800 0.117 0.000 1.103 178 F CA 0.294 58.397 58.000 0.171 0.000 1.228 178 F CB -1.644 37.577 39.000 0.368 0.000 0.984 178 F HN 0.157 nan 8.300 nan 0.000 0.477 179 A N 0.461 123.378 122.820 0.161 0.000 1.859 179 A HA -0.257 4.066 4.320 0.006 0.000 0.217 179 A C 2.444 180.084 177.584 0.094 0.000 1.198 179 A CA 2.175 54.261 52.037 0.080 0.000 0.629 179 A CB -0.866 17.983 19.000 -0.252 0.000 0.830 179 A HN 0.332 nan 8.150 nan 0.000 0.446 180 R N -1.205 119.323 120.500 0.047 0.000 2.080 180 R HA -0.111 4.232 4.340 0.006 0.000 0.236 180 R C 2.402 178.737 176.300 0.058 0.000 1.137 180 R CA 1.913 58.040 56.100 0.046 0.000 0.943 180 R CB -1.089 29.229 30.300 0.030 0.000 0.846 180 R HN 0.588 nan 8.270 nan 0.000 0.431 181 T N 1.056 115.659 114.554 0.081 0.000 2.607 181 T HA -0.153 4.200 4.350 0.006 0.000 0.267 181 T C 2.022 176.740 174.700 0.030 0.000 1.049 181 T CA 1.721 63.859 62.100 0.065 0.000 1.162 181 T CB -0.373 68.561 68.868 0.109 0.000 0.863 181 T HN 0.010 nan 8.240 nan 0.000 0.424 182 V N 1.389 121.328 119.914 0.042 0.000 2.469 182 V HA -0.189 3.935 4.120 0.006 0.000 0.251 182 V C 2.499 178.589 176.094 -0.007 0.000 1.064 182 V CA 1.888 64.175 62.300 -0.021 0.000 1.066 182 V CB -0.609 31.199 31.823 -0.026 0.000 0.667 182 V HN 0.567 nan 8.190 nan 0.000 0.461 183 E N 0.050 120.272 120.200 0.037 0.000 2.072 183 E HA -0.172 4.182 4.350 0.006 0.000 0.191 183 E C 2.326 178.933 176.600 0.012 0.000 0.985 183 E CA 1.425 57.847 56.400 0.036 0.000 0.801 183 E CB -0.033 29.699 29.700 0.053 0.000 0.750 183 E HN 0.647 nan 8.360 nan 0.000 0.452 184 S N 0.272 115.978 115.700 0.011 0.000 2.359 184 S HA -0.155 4.318 4.470 0.006 0.000 0.224 184 S C 2.097 176.692 174.600 -0.008 0.000 1.035 184 S CA 1.278 59.482 58.200 0.006 0.000 1.018 184 S CB -0.310 62.896 63.200 0.010 0.000 0.876 184 S HN 0.144 nan 8.310 nan 0.000 0.448 185 V N 3.207 123.104 119.914 -0.028 0.000 2.287 185 V HA -0.180 3.944 4.120 0.006 0.000 0.248 185 V C 2.086 178.145 176.094 -0.059 0.000 1.053 185 V CA 1.649 63.918 62.300 -0.052 0.000 1.027 185 V CB -0.764 31.005 31.823 -0.090 0.000 0.646 185 V HN 0.458 nan 8.190 nan 0.000 0.447 186 N N -0.017 118.639 118.700 -0.073 0.000 2.453 186 N HA -0.073 4.670 4.740 0.006 0.000 0.183 186 N C 1.654 177.135 175.510 -0.049 0.000 1.041 186 N CA 0.880 53.877 53.050 -0.088 0.000 0.900 186 N CB -0.042 38.380 38.487 -0.107 0.000 0.961 186 N HN 0.374 nan 8.380 nan 0.000 0.443 187 V N 1.101 121.001 119.914 -0.024 0.000 2.515 187 V HA -0.106 4.018 4.120 0.006 0.000 0.250 187 V C 2.117 178.203 176.094 -0.013 0.000 1.058 187 V CA 1.029 63.318 62.300 -0.019 0.000 1.064 187 V CB -0.172 31.649 31.823 -0.003 0.000 0.675 187 V HN 0.203 nan 8.190 nan 0.000 0.461 188 I N -0.925 119.658 120.570 0.021 0.000 2.339 188 I HA -0.114 4.060 4.170 0.006 0.000 0.245 188 I C 2.322 178.495 176.117 0.094 0.000 1.096 188 I CA 0.753 62.120 61.300 0.110 0.000 1.408 188 I CB -0.253 37.804 38.000 0.096 0.000 1.092 188 I HN 0.097 nan 8.210 nan 0.000 0.423 189 V N 1.090 121.008 119.914 0.006 0.000 2.255 189 V HA -0.314 3.809 4.120 0.006 0.000 0.247 189 V C 2.691 178.761 176.094 -0.040 0.000 1.051 189 V CA 2.481 64.765 62.300 -0.026 0.000 1.018 189 V CB -1.000 30.768 31.823 -0.093 0.000 0.641 189 V HN 0.610 nan 8.190 nan 0.000 0.445 190 S N -0.685 114.975 115.700 -0.066 0.000 2.383 190 S HA -0.212 4.262 4.470 0.006 0.000 0.227 190 S C 1.922 176.450 174.600 -0.121 0.000 1.026 190 S CA 1.856 60.008 58.200 -0.080 0.000 0.981 190 S CB -0.852 62.309 63.200 -0.067 0.000 0.818 190 S HN 0.561 nan 8.310 nan 0.000 0.472 191 T N 0.533 114.980 114.554 -0.178 0.000 2.833 191 T HA 0.011 4.364 4.350 0.006 0.000 0.269 191 T C 0.855 175.215 174.700 -0.566 0.000 1.054 191 T CA 1.463 63.328 62.100 -0.392 0.000 1.135 191 T CB -0.346 68.196 68.868 -0.543 0.000 0.869 191 T HN 0.632 nan 8.240 nan 0.000 0.466 192 Y N 0.087 120.352 120.300 -0.058 0.000 2.426 192 Y HA 0.617 5.170 4.550 0.005 0.000 0.249 192 Y C 1.171 177.034 175.900 -0.063 0.000 1.103 192 Y CA -1.112 56.952 58.100 -0.060 0.000 1.256 192 Y CB 0.051 38.475 38.460 -0.061 0.000 1.208 192 Y HN 0.094 nan 8.280 nan 0.000 0.519 193 A N 0.237 123.084 122.820 0.044 0.000 2.332 193 A HA 0.302 4.626 4.320 0.006 0.000 0.258 193 A C -0.439 177.129 177.584 -0.028 0.000 1.087 193 A CA -0.471 51.565 52.037 -0.002 0.000 0.802 193 A CB 0.055 19.032 19.000 -0.039 0.000 1.042 193 A HN 0.110 nan 8.150 nan 0.000 0.489 194 D N 0.460 120.835 120.400 -0.042 0.000 2.389 194 D HA 0.265 4.908 4.640 0.006 0.000 0.247 194 D C 0.849 177.108 176.300 -0.069 0.000 1.128 194 D CA 0.092 54.062 54.000 -0.051 0.000 0.884 194 D CB 1.108 41.877 40.800 -0.051 0.000 1.194 194 D HN 0.603 nan 8.370 nan 0.000 0.441 195 E N 0.768 120.933 120.200 -0.058 0.000 2.153 195 E HA -0.119 4.235 4.350 0.006 0.000 0.194 195 E C 1.836 178.397 176.600 -0.064 0.000 0.988 195 E CA 0.550 56.916 56.400 -0.056 0.000 0.811 195 E CB 0.091 29.764 29.700 -0.045 0.000 0.746 195 E HN 0.301 nan 8.360 nan 0.000 0.466 196 V N 0.563 120.436 119.914 -0.068 0.000 2.343 196 V HA -0.256 3.867 4.120 0.006 0.000 0.247 196 V C 2.242 178.259 176.094 -0.129 0.000 1.051 196 V CA 1.453 63.708 62.300 -0.075 0.000 1.036 196 V CB -0.527 31.262 31.823 -0.056 0.000 0.654 196 V HN 0.303 nan 8.190 nan 0.000 0.451 197 L N 0.142 121.251 121.223 -0.190 0.000 2.189 197 L HA 0.063 4.406 4.340 0.006 0.000 0.214 197 L C 1.301 178.055 176.870 -0.192 0.000 1.097 197 L CA 1.204 55.865 54.840 -0.297 0.000 0.764 197 L CB -1.048 40.832 42.059 -0.298 0.000 0.900 197 L HN 0.633 nan 8.230 nan 0.000 0.436 198 G N -0.066 108.663 108.800 -0.119 0.000 2.707 198 G HA2 -0.240 3.724 3.960 0.006 0.000 0.686 198 G HA3 -0.240 3.724 3.960 0.006 0.000 0.686 198 G C -0.732 174.129 174.900 -0.064 0.000 1.315 198 G CA -0.377 44.678 45.100 -0.075 0.000 0.832 198 G HN 0.223 nan 8.290 nan 0.000 0.573 199 D N -0.907 119.475 120.400 -0.031 0.000 2.502 199 D HA 0.259 4.902 4.640 0.006 0.000 0.249 199 D C 1.047 177.317 176.300 -0.049 0.000 1.188 199 D CA 0.812 54.800 54.000 -0.021 0.000 0.890 199 D CB 1.142 41.968 40.800 0.044 0.000 1.140 199 D HN 0.660 nan 8.370 nan 0.000 0.505 200 V N 3.923 123.781 119.914 -0.093 0.000 3.427 200 V HA 0.072 4.195 4.120 0.006 0.000 0.305 200 V C 0.808 176.783 176.094 -0.199 0.000 1.412 200 V CA -0.009 62.218 62.300 -0.120 0.000 1.086 200 V CB -0.393 31.365 31.823 -0.107 0.000 0.964 200 V HN 0.608 nan 8.190 nan 0.000 0.439 201 Q N 0.665 120.299 119.800 -0.276 0.000 2.386 201 Q HA 0.152 4.496 4.340 0.006 0.000 0.282 201 Q C -0.115 175.461 176.000 -0.706 0.000 1.050 201 Q CA 0.211 55.730 55.803 -0.473 0.000 0.918 201 Q CB 1.338 29.732 28.738 -0.573 0.000 1.266 201 Q HN 0.479 nan 8.270 nan 0.000 0.423 202 V N 0.430 119.978 119.914 -0.609 0.000 2.546 202 V HA 0.384 4.508 4.120 0.006 0.000 0.284 202 V C -1.042 174.681 176.094 -0.619 0.000 1.050 202 V CA -0.594 61.386 62.300 -0.532 0.000 0.981 202 V CB 0.421 32.026 31.823 -0.364 0.000 0.990 202 V HN 0.533 nan 8.190 nan 0.000 0.474 203 Y N 3.646 123.814 120.300 -0.220 0.000 2.327 203 Y HA 0.465 5.017 4.550 0.004 0.000 0.325 203 Y C -2.038 173.672 175.900 -0.317 0.000 0.999 203 Y CA -2.399 55.563 58.100 -0.230 0.000 1.195 203 Y CB 2.096 40.478 38.460 -0.129 0.000 1.132 203 Y HN 0.415 nan 8.280 nan 0.000 0.455 204 P HA -0.265 nan 4.420 nan 0.000 0.217 204 P C 1.280 178.476 177.300 -0.175 0.000 1.151 204 P CA 2.656 65.491 63.100 -0.442 0.000 0.849 204 P CB 0.380 31.404 31.700 -1.127 0.000 0.787 205 A N -0.618 122.121 122.820 -0.135 0.000 2.067 205 A HA -0.125 4.199 4.320 0.006 0.000 0.219 205 A C 1.927 179.551 177.584 0.067 0.000 1.158 205 A CA 1.122 53.200 52.037 0.069 0.000 0.661 205 A CB -0.765 18.307 19.000 0.121 0.000 0.801 205 A HN 0.146 nan 8.150 nan 0.000 0.452 206 R N -1.231 119.290 120.500 0.036 0.000 2.388 206 R HA 0.247 4.590 4.340 0.006 0.000 0.247 206 R C 1.031 177.325 176.300 -0.010 0.000 0.931 206 R CA 0.419 56.551 56.100 0.054 0.000 1.082 206 R CB -0.008 30.348 30.300 0.093 0.000 1.135 206 R HN 0.576 nan 8.270 nan 0.000 0.525 207 G N 1.471 110.252 108.800 -0.033 0.000 2.179 207 G HA2 -0.320 3.644 3.960 0.006 0.000 0.257 207 G HA3 -0.320 3.644 3.960 0.006 0.000 0.257 207 G C 0.676 175.372 174.900 -0.340 0.000 1.010 207 G CA 0.968 46.033 45.100 -0.058 0.000 0.736 207 G HN 0.452 nan 8.290 nan 0.000 0.513 208 T N -3.106 111.181 114.554 -0.446 0.000 3.134 208 T HA 0.576 4.930 4.350 0.006 0.000 0.260 208 T C 0.261 174.725 174.700 -0.393 0.000 1.027 208 T CA 0.323 62.112 62.100 -0.518 0.000 0.913 208 T CB 1.138 69.693 68.868 -0.522 0.000 1.046 208 T HN 0.786 nan 8.240 nan 0.000 0.553 209 V N 1.230 120.904 119.914 -0.399 0.000 2.623 209 V HA 0.816 4.939 4.120 0.006 0.000 0.304 209 V C -0.266 175.404 176.094 -0.706 0.000 1.054 209 V CA -1.202 60.759 62.300 -0.566 0.000 0.882 209 V CB 1.379 32.810 31.823 -0.654 0.000 1.002 209 V HN 0.586 nan 8.190 nan 0.000 0.424 210 A N 4.454 126.803 122.820 -0.785 0.000 2.330 210 A HA 1.022 5.346 4.320 0.006 0.000 0.329 210 A C -1.245 175.643 177.584 -1.160 0.000 1.135 210 A CA -0.433 51.153 52.037 -0.753 0.000 0.817 210 A CB 1.195 19.953 19.000 -0.404 0.000 1.269 210 A HN 0.638 nan 8.150 nan 0.000 0.469 211 F N -0.139 119.355 119.950 -0.761 0.000 2.577 211 F HA 0.816 5.345 4.527 0.004 0.000 0.318 211 F C 0.783 176.186 175.800 -0.661 0.000 1.065 211 F CA 0.266 57.794 58.000 -0.787 0.000 0.929 211 F CB 2.684 41.084 39.000 -1.000 0.000 1.237 211 F HN 1.067 nan 8.300 nan 0.000 0.468 212 G N 0.199 108.769 108.800 -0.383 0.000 2.333 212 G HA2 0.409 4.373 3.960 0.006 0.000 0.288 212 G HA3 0.409 4.373 3.960 0.006 0.000 0.288 212 G C -1.961 172.372 174.900 -0.944 0.000 1.286 212 G CA -0.638 43.962 45.100 -0.832 0.000 0.865 212 G HN 0.777 nan 8.290 nan 0.000 0.506 213 S N -0.958 113.998 115.700 -1.239 0.000 2.733 213 S HA 0.580 5.053 4.470 0.006 0.000 0.294 213 S C 1.265 175.575 174.600 -0.482 0.000 1.149 213 S CA 0.800 58.531 58.200 -0.782 0.000 1.034 213 S CB 1.077 63.784 63.200 -0.821 0.000 1.015 213 S HN 1.940 nan 8.310 nan 0.000 0.486 214 G N 3.873 112.509 108.800 -0.272 0.000 2.418 214 G HA2 -0.117 3.847 3.960 0.006 0.000 0.217 214 G HA3 -0.117 3.847 3.960 0.006 0.000 0.217 214 G C 1.229 176.088 174.900 -0.068 0.000 1.158 214 G CA 1.081 46.099 45.100 -0.136 0.000 0.771 214 G HN 0.676 nan 8.290 nan 0.000 0.545 215 L N 0.707 121.878 121.223 -0.086 0.000 1.941 215 L HA -0.214 4.130 4.340 0.006 0.000 0.224 215 L C 2.640 179.619 176.870 0.182 0.000 1.081 215 L CA 2.360 57.210 54.840 0.016 0.000 0.784 215 L CB -0.928 41.097 42.059 -0.056 0.000 0.894 215 L HN 0.334 nan 8.230 nan 0.000 0.436 216 H N 0.383 119.518 119.070 0.108 0.000 2.545 216 H HA 0.201 4.761 4.556 0.006 0.000 0.282 216 H C 1.517 176.989 175.328 0.241 0.000 1.020 216 H CA 0.380 56.565 56.048 0.229 0.000 1.243 216 H CB -0.845 29.198 29.762 0.468 0.000 1.377 216 H HN 0.604 nan 8.280 nan 0.000 0.581 217 G N 0.098 109.029 108.800 0.218 0.000 2.212 217 G HA2 -0.182 3.782 3.960 0.006 0.000 0.255 217 G HA3 -0.182 3.782 3.960 0.006 0.000 0.255 217 G C -0.055 175.007 174.900 0.271 0.000 1.062 217 G CA 0.316 45.519 45.100 0.172 0.000 0.815 217 G HN 0.538 nan 8.290 nan 0.000 0.497 218 W N -1.340 120.058 121.300 0.164 0.000 2.962 218 W HA 0.862 5.525 4.660 0.005 0.000 0.341 218 W C -0.244 176.361 176.519 0.144 0.000 1.155 218 W CA -1.424 56.028 57.345 0.177 0.000 1.165 218 W CB 1.566 31.192 29.460 0.276 0.000 1.435 218 W HN 1.237 nan 8.180 nan 0.000 0.546 219 A N 2.400 125.497 122.820 0.461 0.000 2.590 219 A HA 0.785 5.109 4.320 0.006 0.000 0.294 219 A C -2.042 175.742 177.584 0.334 0.000 1.046 219 A CA -0.728 51.445 52.037 0.226 0.000 0.684 219 A CB 1.074 20.044 19.000 -0.050 0.000 1.279 219 A HN 1.164 nan 8.150 nan 0.000 0.415 220 F N -0.835 119.284 119.950 0.281 0.000 2.685 220 F HA 0.922 5.452 4.527 0.005 0.000 0.315 220 F C -0.224 175.732 175.800 0.260 0.000 1.126 220 F CA -0.231 57.888 58.000 0.199 0.000 0.950 220 F CB 1.436 40.580 39.000 0.241 0.000 1.360 220 F HN 0.957 nan 8.300 nan 0.000 0.469 221 T N -0.537 114.308 114.554 0.486 0.000 2.907 221 T HA 0.443 4.797 4.350 0.006 0.000 0.292 221 T C 0.613 175.667 174.700 0.591 0.000 1.043 221 T CA -0.773 61.568 62.100 0.403 0.000 1.003 221 T CB 1.516 70.479 68.868 0.158 0.000 1.084 221 T HN 0.645 nan 8.240 nan 0.000 0.483 222 I N 0.815 121.733 120.570 0.580 0.000 2.315 222 I HA -0.131 4.043 4.170 0.006 0.000 0.251 222 I C 2.549 178.895 176.117 0.381 0.000 1.125 222 I CA 1.488 63.119 61.300 0.553 0.000 1.392 222 I CB -1.128 37.149 38.000 0.460 0.000 1.065 222 I HN 0.838 nan 8.210 nan 0.000 0.424 223 R N 0.751 121.409 120.500 0.264 0.000 2.237 223 R HA -0.155 4.189 4.340 0.006 0.000 0.219 223 R C 2.104 178.483 176.300 0.132 0.000 1.080 223 R CA 0.982 57.188 56.100 0.177 0.000 0.995 223 R CB 0.083 30.464 30.300 0.135 0.000 0.875 223 R HN 0.480 nan 8.270 nan 0.000 0.462 224 Q N -1.021 118.850 119.800 0.118 0.000 2.123 224 Q HA -0.065 4.279 4.340 0.006 0.000 0.196 224 Q C 1.474 177.405 176.000 -0.116 0.000 0.958 224 Q CA 1.147 56.920 55.803 -0.050 0.000 0.841 224 Q CB 0.084 28.732 28.738 -0.151 0.000 0.915 224 Q HN 0.307 nan 8.270 nan 0.000 0.455 225 F N 0.307 120.315 119.950 0.097 0.000 2.456 225 F HA 0.018 4.549 4.527 0.006 0.000 0.298 225 F C 2.166 178.068 175.800 0.170 0.000 1.104 225 F CA 0.808 58.860 58.000 0.087 0.000 1.435 225 F CB -0.247 38.854 39.000 0.168 0.000 1.078 225 F HN 0.042 nan 8.300 nan 0.000 0.546 226 A N -0.890 122.129 122.820 0.332 0.000 2.014 226 A HA -0.099 4.225 4.320 0.006 0.000 0.218 226 A C 2.153 179.832 177.584 0.159 0.000 1.163 226 A CA 1.898 54.087 52.037 0.254 0.000 0.652 226 A CB -1.030 18.089 19.000 0.198 0.000 0.808 226 A HN 0.290 nan 8.150 nan 0.000 0.449 227 T N -0.779 113.832 114.554 0.095 0.000 3.043 227 T HA 0.007 4.361 4.350 0.006 0.000 0.263 227 T C 1.984 176.688 174.700 0.007 0.000 1.094 227 T CA 0.864 62.989 62.100 0.041 0.000 1.127 227 T CB -0.047 68.826 68.868 0.008 0.000 0.905 227 T HN 0.484 nan 8.240 nan 0.000 0.490 228 R N 0.201 120.684 120.500 -0.029 0.000 2.052 228 R HA 0.063 4.406 4.340 0.006 0.000 0.224 228 R C 1.795 178.030 176.300 -0.107 0.000 1.165 228 R CA 1.081 57.098 56.100 -0.139 0.000 0.939 228 R CB -0.431 29.682 30.300 -0.311 0.000 0.834 228 R HN 0.333 nan 8.270 nan 0.000 0.435 229 Y N 1.419 121.776 120.300 0.095 0.000 2.680 229 Y HA -0.034 4.519 4.550 0.006 0.000 0.303 229 Y C 2.098 178.052 175.900 0.090 0.000 1.166 229 Y CA 0.195 58.336 58.100 0.068 0.000 1.344 229 Y CB -0.870 37.656 38.460 0.111 0.000 1.002 229 Y HN 0.222 nan 8.280 nan 0.000 0.537 230 A N 0.590 123.514 122.820 0.172 0.000 1.894 230 A HA -0.283 4.040 4.320 0.006 0.000 0.220 230 A C 2.276 179.927 177.584 0.111 0.000 1.237 230 A CA 2.262 54.373 52.037 0.124 0.000 0.660 230 A CB -0.303 18.737 19.000 0.068 0.000 0.835 230 A HN 0.210 nan 8.150 nan 0.000 0.461 231 K N -1.051 119.389 120.400 0.066 0.000 2.308 231 K HA 0.052 4.375 4.320 0.006 0.000 0.197 231 K C 1.673 178.274 176.600 0.002 0.000 1.049 231 K CA 1.064 57.377 56.287 0.042 0.000 0.991 231 K CB -0.166 32.344 32.500 0.018 0.000 0.836 231 K HN 0.498 nan 8.250 nan 0.000 0.500 232 K N 0.459 120.821 120.400 -0.062 0.000 2.442 232 K HA -0.102 4.221 4.320 0.006 0.000 0.200 232 K C 0.593 176.909 176.600 -0.473 0.000 1.045 232 K CA 1.295 57.426 56.287 -0.260 0.000 0.937 232 K CB -0.154 32.157 32.500 -0.315 0.000 0.757 232 K HN 0.010 nan 8.250 nan 0.000 0.474 233 F N -1.046 118.914 119.950 0.017 0.000 2.798 233 F HA 0.348 4.879 4.527 0.007 0.000 0.328 233 F C 0.738 176.573 175.800 0.058 0.000 1.098 233 F CA -0.139 57.883 58.000 0.037 0.000 1.172 233 F CB 0.900 39.922 39.000 0.037 0.000 1.072 233 F HN 0.078 nan 8.300 nan 0.000 0.555 234 G N 2.398 111.302 108.800 0.173 0.000 2.374 234 G HA2 0.012 3.976 3.960 0.006 0.000 0.289 234 G HA3 0.012 3.976 3.960 0.006 0.000 0.289 234 G C -0.484 174.487 174.900 0.120 0.000 1.004 234 G CA 0.315 45.488 45.100 0.121 0.000 1.292 234 G HN 0.788 nan 8.290 nan 0.000 0.502 235 V N -2.037 117.938 119.914 0.101 0.000 3.159 235 V HA 0.897 5.020 4.120 0.006 0.000 0.308 235 V C -0.374 175.745 176.094 0.042 0.000 1.190 235 V CA -0.968 61.365 62.300 0.056 0.000 1.037 235 V CB 2.377 34.215 31.823 0.025 0.000 1.060 235 V HN 0.545 nan 8.190 nan 0.000 0.437 236 D N 1.117 121.529 120.400 0.019 0.000 2.249 236 D HA 0.301 4.944 4.640 0.006 0.000 0.246 236 D C 1.001 177.313 176.300 0.019 0.000 1.114 236 D CA -0.355 53.657 54.000 0.021 0.000 0.854 236 D CB 1.571 42.379 40.800 0.013 0.000 1.132 236 D HN 0.859 nan 8.370 nan 0.000 0.461 237 K N 1.479 121.900 120.400 0.035 0.000 2.293 237 K HA -0.318 4.005 4.320 0.006 0.000 0.204 237 K C 1.644 178.264 176.600 0.034 0.000 1.045 237 K CA 1.321 57.635 56.287 0.046 0.000 0.933 237 K CB -0.389 32.148 32.500 0.061 0.000 0.736 237 K HN 0.391 nan 8.250 nan 0.000 0.463 238 A N 2.027 124.860 122.820 0.022 0.000 1.892 238 A HA -0.219 4.104 4.320 0.006 0.000 0.218 238 A C 2.170 179.752 177.584 -0.003 0.000 1.188 238 A CA 2.018 54.065 52.037 0.017 0.000 0.631 238 A CB -0.472 18.534 19.000 0.010 0.000 0.822 238 A HN 0.469 nan 8.150 nan 0.000 0.447 239 K N -2.072 118.308 120.400 -0.033 0.000 2.361 239 K HA 0.099 4.422 4.320 0.006 0.000 0.196 239 K C 1.838 178.355 176.600 -0.139 0.000 1.039 239 K CA 0.743 56.977 56.287 -0.088 0.000 1.001 239 K CB -0.051 32.380 32.500 -0.115 0.000 0.795 239 K HN 0.356 nan 8.250 nan 0.000 0.495 240 M N 1.249 120.797 119.600 -0.086 0.000 2.156 240 M HA -0.049 4.435 4.480 0.006 0.000 0.264 240 M C 1.917 178.212 176.300 -0.009 0.000 1.067 240 M CA 1.494 56.739 55.300 -0.093 0.000 1.131 240 M CB -0.097 32.515 32.600 0.020 0.000 1.368 240 M HN 0.265 nan 8.290 nan 0.000 0.416 241 M N -2.343 117.295 119.600 0.064 0.000 2.349 241 M HA -0.043 4.441 4.480 0.006 0.000 0.266 241 M C 1.474 177.849 176.300 0.125 0.000 1.076 241 M CA 1.779 57.164 55.300 0.141 0.000 1.126 241 M CB -0.825 31.872 32.600 0.163 0.000 1.392 241 M HN 0.098 nan 8.290 nan 0.000 0.440 242 D N 1.477 121.905 120.400 0.047 0.000 2.178 242 D HA -0.111 4.533 4.640 0.006 0.000 0.201 242 D C 1.856 178.167 176.300 0.019 0.000 0.980 242 D CA 1.122 55.144 54.000 0.037 0.000 0.842 242 D CB 0.049 40.840 40.800 -0.016 0.000 0.948 242 D HN 0.527 nan 8.370 nan 0.000 0.472 243 R N -0.472 119.982 120.500 -0.076 0.000 2.210 243 R HA 0.170 4.514 4.340 0.006 0.000 0.203 243 R C 2.155 178.456 176.300 0.001 0.000 1.010 243 R CA -0.032 55.976 56.100 -0.153 0.000 1.008 243 R CB 0.145 30.133 30.300 -0.519 0.000 0.923 243 R HN 0.169 nan 8.270 nan 0.000 0.469 244 L N 0.047 121.349 121.223 0.131 0.000 2.622 244 L HA 0.015 4.358 4.340 0.006 0.000 0.233 244 L C 0.464 177.632 176.870 0.496 0.000 1.156 244 L CA 0.344 55.368 54.840 0.306 0.000 0.866 244 L CB -0.072 42.203 42.059 0.358 0.000 0.980 244 L HN 0.272 nan 8.230 nan 0.000 0.448 245 W N -0.466 120.918 121.300 0.139 0.000 3.083 245 W HA 0.447 5.110 4.660 0.006 0.000 0.333 245 W C 0.390 176.929 176.519 0.033 0.000 1.217 245 W CA 0.183 57.597 57.345 0.115 0.000 1.170 245 W CB 1.714 31.259 29.460 0.142 0.000 1.437 245 W HN 0.026 nan 8.180 nan 0.000 0.557 246 G N 2.845 111.272 108.800 -0.622 0.000 2.593 246 G HA2 -0.251 3.713 3.960 0.006 0.000 0.237 246 G HA3 -0.251 3.713 3.960 0.006 0.000 0.237 246 G C -0.787 173.904 174.900 -0.348 0.000 1.312 246 G CA -0.112 44.784 45.100 -0.340 0.000 0.896 246 G HN 0.467 nan 8.290 nan 0.000 0.574 247 D N 1.707 121.999 120.400 -0.179 0.000 2.453 247 D HA 0.530 5.174 4.640 0.006 0.000 0.223 247 D C -0.176 176.001 176.300 -0.204 0.000 1.183 247 D CA 0.567 54.470 54.000 -0.162 0.000 0.933 247 D CB 0.683 41.596 40.800 0.188 0.000 1.038 247 D HN 0.465 nan 8.370 nan 0.000 0.513 248 S N 1.560 116.852 115.700 -0.679 0.000 2.575 248 S HA 0.576 5.050 4.470 0.006 0.000 0.278 248 S C -0.778 173.448 174.600 -0.623 0.000 1.139 248 S CA -0.674 57.345 58.200 -0.301 0.000 0.954 248 S CB 1.103 64.242 63.200 -0.102 0.000 1.054 248 S HN 0.170 nan 8.310 nan 0.000 0.483 249 F N 1.826 121.933 119.950 0.263 0.000 2.576 249 F HA 0.652 5.181 4.527 0.003 0.000 0.313 249 F C -0.705 175.186 175.800 0.152 0.000 1.078 249 F CA -0.973 57.120 58.000 0.155 0.000 0.921 249 F CB 1.314 40.321 39.000 0.011 0.000 1.232 249 F HN 0.510 nan 8.300 nan 0.000 0.459 250 F N 3.189 123.054 119.950 -0.142 0.000 2.445 250 F HA 0.384 4.914 4.527 0.005 0.000 0.348 250 F C -0.259 175.385 175.800 -0.260 0.000 1.125 250 F CA -0.878 56.793 58.000 -0.549 0.000 0.983 250 F CB 0.649 39.086 39.000 -0.938 0.000 1.198 250 F HN 0.398 nan 8.300 nan 0.000 0.436 251 N N 7.556 125.873 118.700 -0.638 0.000 2.452 251 N HA 0.160 4.904 4.740 0.006 0.000 0.266 251 N C -2.029 173.166 175.510 -0.526 0.000 1.175 251 N CA -1.473 51.318 53.050 -0.431 0.000 0.945 251 N CB 1.808 40.090 38.487 -0.343 0.000 1.063 251 N HN 0.320 nan 8.380 nan 0.000 0.472 252 P HA -0.068 nan 4.420 nan 0.000 0.216 252 P C 0.728 177.942 177.300 -0.143 0.000 1.153 252 P CA 1.578 64.606 63.100 -0.119 0.000 0.848 252 P CB 0.476 32.148 31.700 -0.046 0.000 0.787 253 K N -0.546 119.766 120.400 -0.147 0.000 1.967 253 K HA -0.087 4.236 4.320 0.006 0.000 0.212 253 K C 2.253 178.764 176.600 -0.149 0.000 1.044 253 K CA 2.179 58.395 56.287 -0.119 0.000 0.942 253 K CB -1.470 30.971 32.500 -0.099 0.000 0.726 253 K HN 0.204 nan 8.250 nan 0.000 0.440 254 T N -0.405 114.036 114.554 -0.188 0.000 2.929 254 T HA -0.093 4.260 4.350 0.006 0.000 0.271 254 T C 0.563 175.114 174.700 -0.249 0.000 1.085 254 T CA 0.703 62.693 62.100 -0.184 0.000 1.125 254 T CB -0.218 68.546 68.868 -0.174 0.000 0.874 254 T HN 0.126 nan 8.240 nan 0.000 0.494 255 K N 0.876 121.013 120.400 -0.438 0.000 3.117 255 K HA -0.115 4.208 4.320 0.006 0.000 0.269 255 K C -0.546 175.675 176.600 -0.632 0.000 1.098 255 K CA 0.776 56.697 56.287 -0.610 0.000 0.785 255 K CB -1.565 30.849 32.500 -0.142 0.000 1.242 255 K HN 0.616 nan 8.250 nan 0.000 0.491 256 K N -0.523 119.442 120.400 -0.726 0.000 2.385 256 K HA 0.424 4.747 4.320 0.006 0.000 0.248 256 K C -0.342 176.020 176.600 -0.396 0.000 0.955 256 K CA -0.742 55.329 56.287 -0.361 0.000 0.816 256 K CB 1.147 33.561 32.500 -0.144 0.000 1.250 256 K HN -0.002 nan 8.250 nan 0.000 0.434 257 W N 0.991 122.306 121.300 0.024 0.000 2.365 257 W HA 0.273 4.935 4.660 0.004 0.000 0.316 257 W C 0.171 176.729 176.519 0.066 0.000 1.164 257 W CA 0.005 57.418 57.345 0.113 0.000 1.204 257 W CB 1.621 31.156 29.460 0.125 0.000 1.213 257 W HN 0.425 nan 8.180 nan 0.000 0.539 258 T N 1.565 116.345 114.554 0.376 0.000 2.742 258 T HA 0.267 4.621 4.350 0.006 0.000 0.282 258 T C -0.025 174.875 174.700 0.333 0.000 1.025 258 T CA -0.807 61.443 62.100 0.250 0.000 1.020 258 T CB 1.480 70.426 68.868 0.131 0.000 1.317 258 T HN 0.306 nan 8.240 nan 0.000 0.538 259 N N 0.831 119.671 118.700 0.232 0.000 2.240 259 N HA 0.149 4.893 4.740 0.006 0.000 0.240 259 N C -0.865 174.737 175.510 0.154 0.000 1.277 259 N CA -0.011 53.197 53.050 0.262 0.000 0.873 259 N CB 0.727 39.303 38.487 0.147 0.000 1.222 259 N HN 0.589 nan 8.380 nan 0.000 0.507 260 K N -0.131 120.237 120.400 -0.054 0.000 2.378 260 K HA 0.344 4.667 4.320 0.006 0.000 0.252 260 K C -0.508 175.593 176.600 -0.831 0.000 0.931 260 K CA -0.654 55.452 56.287 -0.303 0.000 0.794 260 K CB 1.307 33.702 32.500 -0.176 0.000 1.181 260 K HN -0.241 nan 8.250 nan 0.000 0.425 261 D N 0.823 120.600 120.400 -1.040 0.000 2.348 261 D HA -0.061 4.583 4.640 0.006 0.000 0.248 261 D C -0.505 175.448 176.300 -0.578 0.000 1.142 261 D CA 0.089 53.352 54.000 -1.228 0.000 0.904 261 D CB -0.138 40.235 40.800 -0.712 0.000 0.901 261 D HN 0.606 nan 8.370 nan 0.000 0.523 262 T N -1.994 112.308 114.554 -0.420 0.000 2.916 262 T HA 0.423 4.777 4.350 0.006 0.000 0.305 262 T C -0.795 173.788 174.700 -0.195 0.000 1.119 262 T CA -1.236 60.716 62.100 -0.247 0.000 1.008 262 T CB 2.188 70.949 68.868 -0.179 0.000 1.129 262 T HN 0.095 nan 8.240 nan 0.000 0.480 263 D N 0.970 121.282 120.400 -0.148 0.000 2.423 263 D HA 0.464 5.108 4.640 0.006 0.000 0.255 263 D C 1.665 177.907 176.300 -0.096 0.000 1.174 263 D CA -0.556 53.373 54.000 -0.119 0.000 1.008 263 D CB 0.491 41.226 40.800 -0.108 0.000 1.101 263 D HN 0.644 nan 8.370 nan 0.000 0.516 264 A N 0.200 122.972 122.820 -0.080 0.000 2.054 264 A HA -0.296 4.028 4.320 0.006 0.000 0.223 264 A C 1.807 179.355 177.584 -0.060 0.000 1.169 264 A CA 1.907 53.905 52.037 -0.064 0.000 0.655 264 A CB -0.806 18.161 19.000 -0.054 0.000 0.812 264 A HN 0.717 nan 8.150 nan 0.000 0.462 265 E N -2.750 117.412 120.200 -0.064 0.000 2.400 265 E HA 0.268 4.621 4.350 0.006 0.000 0.195 265 E C 1.276 177.840 176.600 -0.059 0.000 1.012 265 E CA 0.374 56.740 56.400 -0.056 0.000 0.875 265 E CB 0.074 29.743 29.700 -0.053 0.000 0.859 265 E HN 0.790 nan 8.360 nan 0.000 0.498 266 G N 1.728 110.484 108.800 -0.072 0.000 2.211 266 G HA2 -0.215 3.748 3.960 0.006 0.000 0.201 266 G HA3 -0.215 3.748 3.960 0.006 0.000 0.201 266 G C 0.062 174.914 174.900 -0.081 0.000 0.997 266 G CA -0.375 44.681 45.100 -0.074 0.000 0.652 266 G HN 0.080 nan 8.290 nan 0.000 0.500 267 K N 1.322 121.673 120.400 -0.082 0.000 2.237 267 K HA 0.456 4.780 4.320 0.006 0.000 0.270 267 K C -2.418 174.119 176.600 -0.105 0.000 1.015 267 K CA -1.570 54.667 56.287 -0.082 0.000 0.949 267 K CB 0.788 33.244 32.500 -0.074 0.000 0.976 267 K HN 0.065 nan 8.250 nan 0.000 0.472 268 P HA 0.098 nan 4.420 nan 0.000 0.272 268 P C -0.902 176.330 177.300 -0.113 0.000 1.230 268 P CA -0.025 63.006 63.100 -0.115 0.000 0.788 268 P CB 0.566 32.215 31.700 -0.085 0.000 0.949 269 L N 1.141 122.288 121.223 -0.127 0.000 2.381 269 L HA 0.388 4.732 4.340 0.006 0.000 0.274 269 L C 0.531 177.477 176.870 0.128 0.000 0.988 269 L CA -0.846 53.971 54.840 -0.038 0.000 0.824 269 L CB 1.868 43.876 42.059 -0.085 0.000 1.263 269 L HN 0.377 nan 8.230 nan 0.000 0.410 270 E N 4.045 124.274 120.200 0.048 0.000 2.376 270 E HA 0.094 4.448 4.350 0.006 0.000 0.266 270 E C 0.061 176.646 176.600 -0.024 0.000 1.009 270 E CA -0.433 55.950 56.400 -0.029 0.000 0.902 270 E CB 1.026 30.638 29.700 -0.148 0.000 0.972 270 E HN 0.405 nan 8.360 nan 0.000 0.439 271 R N 2.639 123.033 120.500 -0.176 0.000 2.861 271 R HA -0.014 4.330 4.340 0.006 0.000 0.268 271 R C 0.779 176.826 176.300 -0.421 0.000 1.027 271 R CA 0.749 56.541 56.100 -0.512 0.000 1.163 271 R CB 0.451 30.381 30.300 -0.616 0.000 1.060 271 R HN 0.740 nan 8.270 nan 0.000 0.483 272 A N 3.387 125.989 122.820 -0.363 0.000 1.929 272 A HA -0.155 4.169 4.320 0.006 0.000 0.216 272 A C 1.874 179.364 177.584 -0.158 0.000 1.176 272 A CA 1.022 52.980 52.037 -0.133 0.000 0.628 272 A CB -0.563 18.576 19.000 0.230 0.000 0.816 272 A HN 0.830 nan 8.150 nan 0.000 0.444 273 F N 1.748 121.536 119.950 -0.271 0.000 2.069 273 F HA -0.235 4.296 4.527 0.008 0.000 0.298 273 F C 1.862 177.493 175.800 -0.282 0.000 1.113 273 F CA 2.287 60.182 58.000 -0.175 0.000 1.214 273 F CB -0.341 38.582 39.000 -0.128 0.000 0.978 273 F HN 0.256 nan 8.300 nan 0.000 0.474 274 N N -0.319 118.276 118.700 -0.176 0.000 2.289 274 N HA -0.167 4.577 4.740 0.006 0.000 0.184 274 N C 1.840 177.079 175.510 -0.451 0.000 1.016 274 N CA 1.370 54.234 53.050 -0.311 0.000 0.872 274 N CB -0.307 38.006 38.487 -0.290 0.000 0.973 274 N HN 0.397 nan 8.380 nan 0.000 0.433 275 M N -1.247 117.997 119.600 -0.593 0.000 2.216 275 M HA 0.061 4.545 4.480 0.006 0.000 0.264 275 M C 0.418 176.183 176.300 -0.891 0.000 1.080 275 M CA 1.263 56.053 55.300 -0.851 0.000 1.153 275 M CB 0.185 32.003 32.600 -1.304 0.000 1.356 275 M HN 0.035 nan 8.290 nan 0.000 0.432 276 F N -1.236 118.512 119.950 -0.337 0.000 2.731 276 F HA 0.245 4.776 4.527 0.007 0.000 0.298 276 F C 1.579 177.093 175.800 -0.477 0.000 1.106 276 F CA 0.186 57.930 58.000 -0.426 0.000 1.329 276 F CB -0.208 38.320 39.000 -0.785 0.000 1.100 276 F HN 0.031 nan 8.300 nan 0.000 0.592 277 I N -1.105 119.099 120.570 -0.609 0.000 3.523 277 I HA -0.029 4.144 4.170 0.006 0.000 0.244 277 I C 1.931 177.592 176.117 -0.761 0.000 1.110 277 I CA 0.307 60.943 61.300 -1.107 0.000 1.517 277 I CB -0.290 36.892 38.000 -1.362 0.000 1.505 277 I HN -0.115 nan 8.210 nan 0.000 0.460 278 L N 0.929 121.757 121.223 -0.658 0.000 2.191 278 L HA -0.208 4.136 4.340 0.006 0.000 0.212 278 L C 1.953 178.679 176.870 -0.241 0.000 1.103 278 L CA 1.498 56.137 54.840 -0.335 0.000 0.769 278 L CB -0.548 41.318 42.059 -0.323 0.000 0.908 278 L HN 0.367 nan 8.230 nan 0.000 0.438 279 D N -0.149 120.065 120.400 -0.310 0.000 2.085 279 D HA -0.110 4.534 4.640 0.006 0.000 0.199 279 D C -0.572 175.697 176.300 -0.052 0.000 0.981 279 D CA 0.876 54.755 54.000 -0.203 0.000 0.834 279 D CB -0.518 40.149 40.800 -0.223 0.000 0.992 279 D HN 0.042 nan 8.370 nan 0.000 0.457 280 P HA -0.170 nan 4.420 nan 0.000 0.215 280 P C 1.485 178.792 177.300 0.012 0.000 1.163 280 P CA 1.229 64.335 63.100 0.009 0.000 0.894 280 P CB -0.044 31.721 31.700 0.108 0.000 0.791 281 I N -2.407 118.199 120.570 0.061 0.000 2.091 281 I HA -0.289 3.884 4.170 0.006 0.000 0.239 281 I C 2.221 178.377 176.117 0.065 0.000 1.061 281 I CA 1.629 62.960 61.300 0.053 0.000 1.317 281 I CB -0.774 37.224 38.000 -0.004 0.000 1.031 281 I HN -0.149 nan 8.210 nan 0.000 0.401 282 F N 1.137 120.996 119.950 -0.152 0.000 2.192 282 F HA -0.224 4.306 4.527 0.004 0.000 0.301 282 F C 2.678 178.473 175.800 -0.008 0.000 1.079 282 F CA 1.496 59.425 58.000 -0.117 0.000 1.303 282 F CB -0.471 38.465 39.000 -0.106 0.000 1.024 282 F HN -0.015 nan 8.300 nan 0.000 0.494 283 R N -0.214 120.384 120.500 0.163 0.000 2.062 283 R HA -0.085 4.259 4.340 0.006 0.000 0.229 283 R C 2.296 178.635 176.300 0.065 0.000 1.128 283 R CA 1.166 57.319 56.100 0.088 0.000 0.960 283 R CB -0.907 29.412 30.300 0.033 0.000 0.855 283 R HN 0.321 nan 8.270 nan 0.000 0.432 284 L N -0.033 121.217 121.223 0.046 0.000 2.013 284 L HA -0.232 4.112 4.340 0.006 0.000 0.212 284 L C 2.423 179.333 176.870 0.068 0.000 1.073 284 L CA 1.699 56.544 54.840 0.008 0.000 0.753 284 L CB -0.560 41.469 42.059 -0.050 0.000 0.890 284 L HN 0.117 nan 8.230 nan 0.000 0.432 285 F N 0.026 119.912 119.950 -0.106 0.000 2.095 285 F HA -0.279 4.252 4.527 0.007 0.000 0.298 285 F C 2.683 178.418 175.800 -0.109 0.000 1.104 285 F CA 1.849 59.784 58.000 -0.107 0.000 1.232 285 F CB -0.494 38.426 39.000 -0.133 0.000 0.987 285 F HN 0.088 nan 8.300 nan 0.000 0.475 286 T N -0.307 114.321 114.554 0.124 0.000 2.777 286 T HA -0.127 4.227 4.350 0.006 0.000 0.266 286 T C 2.106 176.787 174.700 -0.031 0.000 1.040 286 T CA 0.950 63.072 62.100 0.037 0.000 1.141 286 T CB -0.696 68.210 68.868 0.063 0.000 0.868 286 T HN 0.297 nan 8.240 nan 0.000 0.444 287 A N 2.006 124.811 122.820 -0.024 0.000 1.827 287 A HA -0.056 4.268 4.320 0.006 0.000 0.215 287 A C 2.257 179.772 177.584 -0.114 0.000 1.212 287 A CA 1.513 53.519 52.037 -0.051 0.000 0.624 287 A CB -1.113 17.864 19.000 -0.040 0.000 0.853 287 A HN 0.451 nan 8.150 nan 0.000 0.450 288 I N -0.599 119.891 120.570 -0.133 0.000 2.091 288 I HA -0.362 3.812 4.170 0.006 0.000 0.240 288 I C 2.466 178.347 176.117 -0.392 0.000 1.046 288 I CA 1.832 63.012 61.300 -0.199 0.000 1.306 288 I CB -0.494 37.387 38.000 -0.198 0.000 1.018 288 I HN 0.316 nan 8.210 nan 0.000 0.404 289 M N 0.050 119.415 119.600 -0.391 0.000 2.629 289 M HA -0.145 4.338 4.480 0.006 0.000 0.257 289 M C 0.974 176.821 176.300 -0.756 0.000 1.071 289 M CA 1.458 56.434 55.300 -0.539 0.000 1.077 289 M CB -1.555 30.869 32.600 -0.294 0.000 1.423 289 M HN 0.286 nan 8.290 nan 0.000 0.508 290 N N -0.835 117.529 118.700 -0.561 0.000 2.205 290 N HA 0.133 4.876 4.740 0.006 0.000 0.201 290 N C -0.527 174.836 175.510 -0.245 0.000 1.128 290 N CA -0.000 52.826 53.050 -0.373 0.000 0.867 290 N CB 0.199 38.608 38.487 -0.130 0.000 0.996 290 N HN 0.062 nan 8.380 nan 0.000 0.503 291 F N -0.167 119.774 119.950 -0.015 0.000 3.093 291 F HA -0.283 4.248 4.527 0.007 0.000 0.287 291 F C -0.168 175.625 175.800 -0.012 0.000 0.882 291 F CA 0.264 58.254 58.000 -0.016 0.000 1.063 291 F CB -2.173 36.819 39.000 -0.014 0.000 1.097 291 F HN 0.030 nan 8.300 nan 0.000 0.604 292 K N 1.563 122.004 120.400 0.068 0.000 2.155 292 K HA 0.083 4.406 4.320 0.006 0.000 0.240 292 K C 1.333 177.960 176.600 0.043 0.000 1.193 292 K CA 0.036 56.354 56.287 0.052 0.000 1.104 292 K CB 0.108 32.619 32.500 0.018 0.000 1.558 292 K HN 0.532 nan 8.250 nan 0.000 0.313 293 K N 0.199 120.637 120.400 0.064 0.000 2.362 293 K HA -0.202 4.121 4.320 0.006 0.000 0.202 293 K C 0.527 177.141 176.600 0.023 0.000 1.045 293 K CA 1.310 57.624 56.287 0.045 0.000 0.936 293 K CB 0.108 32.636 32.500 0.046 0.000 0.747 293 K HN 0.257 nan 8.250 nan 0.000 0.467 294 D N 1.630 122.042 120.400 0.021 0.000 2.123 294 D HA -0.094 4.549 4.640 0.006 0.000 0.200 294 D C 1.749 178.052 176.300 0.005 0.000 0.976 294 D CA 1.177 55.184 54.000 0.012 0.000 0.831 294 D CB 0.072 40.879 40.800 0.012 0.000 0.974 294 D HN 0.478 nan 8.370 nan 0.000 0.469 295 E N 0.638 120.841 120.200 0.004 0.000 2.076 295 E HA -0.029 4.325 4.350 0.006 0.000 0.190 295 E C 2.449 179.042 176.600 -0.013 0.000 0.979 295 E CA 0.128 56.525 56.400 -0.004 0.000 0.807 295 E CB 0.106 29.803 29.700 -0.005 0.000 0.761 295 E HN 0.224 nan 8.360 nan 0.000 0.454 296 I N 2.305 122.867 120.570 -0.013 0.000 2.103 296 I HA -0.301 3.872 4.170 0.006 0.000 0.241 296 I C -0.408 175.693 176.117 -0.026 0.000 1.036 296 I CA 1.659 62.945 61.300 -0.024 0.000 1.300 296 I CB -1.770 36.221 38.000 -0.016 0.000 1.010 296 I HN 0.159 nan 8.210 nan 0.000 0.406 297 P HA -0.131 nan 4.420 nan 0.000 0.215 297 P C 1.952 179.241 177.300 -0.018 0.000 1.157 297 P CA 1.719 64.810 63.100 -0.015 0.000 0.868 297 P CB -0.136 31.560 31.700 -0.006 0.000 0.788 298 V N 0.524 120.429 119.914 -0.015 0.000 2.237 298 V HA -0.227 3.896 4.120 0.006 0.000 0.245 298 V C 2.798 178.878 176.094 -0.022 0.000 1.046 298 V CA 1.773 64.064 62.300 -0.014 0.000 1.007 298 V CB -1.551 30.267 31.823 -0.009 0.000 0.638 298 V HN 0.007 nan 8.190 nan 0.000 0.445 299 L N -0.547 120.658 121.223 -0.029 0.000 2.013 299 L HA -0.204 4.140 4.340 0.006 0.000 0.212 299 L C 2.208 179.038 176.870 -0.068 0.000 1.073 299 L CA 1.964 56.777 54.840 -0.045 0.000 0.753 299 L CB -0.739 41.289 42.059 -0.051 0.000 0.890 299 L HN 0.193 nan 8.230 nan 0.000 0.432 300 L N -0.358 120.825 121.223 -0.067 0.000 2.017 300 L HA -0.219 4.125 4.340 0.006 0.000 0.208 300 L C 2.624 179.463 176.870 -0.052 0.000 1.073 300 L CA 2.019 56.812 54.840 -0.077 0.000 0.745 300 L CB -0.838 41.187 42.059 -0.058 0.000 0.894 300 L HN 0.477 nan 8.230 nan 0.000 0.432 301 E N -0.496 119.685 120.200 -0.031 0.000 2.110 301 E HA -0.303 4.051 4.350 0.006 0.000 0.193 301 E C 2.233 178.824 176.600 -0.014 0.000 0.988 301 E CA 1.280 57.670 56.400 -0.017 0.000 0.804 301 E CB 0.030 29.723 29.700 -0.011 0.000 0.745 301 E HN 0.366 nan 8.360 nan 0.000 0.458 302 K N 0.183 120.572 120.400 -0.019 0.000 2.063 302 K HA -0.104 4.219 4.320 0.006 0.000 0.208 302 K C 1.837 178.436 176.600 -0.002 0.000 1.048 302 K CA 1.155 57.437 56.287 -0.008 0.000 0.928 302 K CB 0.003 32.499 32.500 -0.007 0.000 0.713 302 K HN 0.185 nan 8.250 nan 0.000 0.442 303 L N 0.535 121.743 121.223 -0.025 0.000 2.612 303 L HA 0.091 4.434 4.340 0.006 0.000 0.230 303 L C 0.130 177.021 176.870 0.036 0.000 1.140 303 L CA 0.036 54.876 54.840 0.001 0.000 0.896 303 L CB -0.222 41.752 42.059 -0.141 0.000 1.065 303 L HN 0.309 nan 8.230 nan 0.000 0.447 304 E N 1.417 121.625 120.200 0.013 0.000 2.297 304 E HA -0.236 4.117 4.350 0.006 0.000 0.228 304 E C -0.308 176.313 176.600 0.035 0.000 1.213 304 E CA 0.046 56.460 56.400 0.022 0.000 0.712 304 E CB -0.869 28.847 29.700 0.027 0.000 1.202 304 E HN 0.477 nan 8.360 nan 0.000 0.376 305 I N 1.718 122.296 120.570 0.014 0.000 2.330 305 I HA 0.194 4.367 4.170 0.006 0.000 0.286 305 I C 0.157 176.281 176.117 0.011 0.000 1.025 305 I CA -0.742 60.572 61.300 0.025 0.000 1.197 305 I CB 1.491 39.484 38.000 -0.011 0.000 1.358 305 I HN 0.024 nan 8.210 nan 0.000 0.467 306 V N 8.516 128.443 119.914 0.022 0.000 2.353 306 V HA 0.334 4.458 4.120 0.006 0.000 0.264 306 V C 0.233 176.336 176.094 0.016 0.000 1.049 306 V CA -0.333 61.976 62.300 0.015 0.000 0.896 306 V CB 0.723 32.555 31.823 0.016 0.000 1.025 306 V HN 0.513 nan 8.190 nan 0.000 0.475 307 L N 6.737 127.966 121.223 0.009 0.000 2.461 307 L HA 0.365 4.709 4.340 0.006 0.000 0.272 307 L C 0.679 177.556 176.870 0.011 0.000 1.197 307 L CA 0.045 54.891 54.840 0.010 0.000 0.836 307 L CB 0.375 42.436 42.059 0.004 0.000 1.105 307 L HN 0.460 nan 8.230 nan 0.000 0.477 308 K N 2.266 122.674 120.400 0.013 0.000 2.347 308 K HA 0.240 4.563 4.320 0.006 0.000 0.262 308 K C 0.690 177.296 176.600 0.010 0.000 1.052 308 K CA 0.532 56.826 56.287 0.012 0.000 0.946 308 K CB 1.064 33.573 32.500 0.015 0.000 1.220 308 K HN 0.834 nan 8.250 nan 0.000 0.450 309 G N 4.323 113.127 108.800 0.008 0.000 3.133 309 G HA2 -0.470 3.494 3.960 0.006 0.000 0.357 309 G HA3 -0.470 3.494 3.960 0.006 0.000 0.357 309 G C 1.066 175.970 174.900 0.006 0.000 1.229 309 G CA 0.997 46.101 45.100 0.006 0.000 1.018 309 G HN 0.647 nan 8.290 nan 0.000 0.635 310 D N 1.318 121.722 120.400 0.006 0.000 2.182 310 D HA -0.047 4.596 4.640 0.006 0.000 0.201 310 D C 2.502 178.806 176.300 0.007 0.000 0.986 310 D CA 1.757 55.761 54.000 0.006 0.000 0.847 310 D CB -0.400 40.404 40.800 0.007 0.000 0.942 310 D HN 0.747 nan 8.370 nan 0.000 0.467 311 E N 0.183 120.388 120.200 0.008 0.000 2.153 311 E HA -0.155 4.199 4.350 0.006 0.000 0.194 311 E C 2.122 178.725 176.600 0.006 0.000 0.988 311 E CA 0.603 57.008 56.400 0.008 0.000 0.811 311 E CB 0.001 29.708 29.700 0.011 0.000 0.746 311 E HN 0.338 nan 8.360 nan 0.000 0.466 312 K N 1.078 121.481 120.400 0.005 0.000 2.107 312 K HA -0.244 4.079 4.320 0.006 0.000 0.211 312 K C 1.812 178.416 176.600 0.005 0.000 1.049 312 K CA 1.951 58.240 56.287 0.004 0.000 0.927 312 K CB -0.316 32.186 32.500 0.003 0.000 0.714 312 K HN 0.289 nan 8.250 nan 0.000 0.452 313 D N 0.275 120.678 120.400 0.005 0.000 2.317 313 D HA -0.053 4.591 4.640 0.006 0.000 0.211 313 D C 0.581 176.886 176.300 0.008 0.000 0.966 313 D CA 0.190 54.193 54.000 0.004 0.000 0.876 313 D CB -0.155 40.645 40.800 0.000 0.000 0.927 313 D HN 0.036 nan 8.370 nan 0.000 0.519 314 L N 0.929 122.158 121.223 0.009 0.000 2.492 314 L HA 0.156 4.499 4.340 0.006 0.000 0.280 314 L C 0.658 177.548 176.870 0.033 0.000 1.240 314 L CA 0.450 55.298 54.840 0.014 0.000 0.831 314 L CB 0.150 42.213 42.059 0.007 0.000 1.100 314 L HN 0.335 nan 8.230 nan 0.000 0.505 315 E N 0.475 120.710 120.200 0.057 0.000 2.407 315 E HA 0.635 4.988 4.350 0.006 0.000 0.279 315 E C -0.194 176.527 176.600 0.201 0.000 1.012 315 E CA -0.507 55.980 56.400 0.144 0.000 0.800 315 E CB 1.694 31.498 29.700 0.174 0.000 1.276 315 E HN 0.746 nan 8.360 nan 0.000 0.452 316 G N 1.889 110.872 108.800 0.305 0.000 2.593 316 G HA2 -0.345 3.619 3.960 0.006 0.000 0.237 316 G HA3 -0.345 3.619 3.960 0.006 0.000 0.237 316 G C 0.496 175.385 174.900 -0.019 0.000 1.312 316 G CA 0.204 45.430 45.100 0.210 0.000 0.896 316 G HN 0.607 nan 8.290 nan 0.000 0.574 317 K N 0.099 120.474 120.400 -0.042 0.000 2.044 317 K HA -0.097 4.226 4.320 0.006 0.000 0.210 317 K C 3.141 179.661 176.600 -0.134 0.000 1.049 317 K CA 2.274 58.479 56.287 -0.137 0.000 0.927 317 K CB -0.529 31.922 32.500 -0.081 0.000 0.713 317 K HN 0.887 nan 8.250 nan 0.000 0.443 318 A N 1.625 124.414 122.820 -0.052 0.000 1.896 318 A HA -0.252 4.072 4.320 0.006 0.000 0.220 318 A C 2.126 179.680 177.584 -0.050 0.000 1.206 318 A CA 1.901 53.917 52.037 -0.035 0.000 0.647 318 A CB -0.756 18.243 19.000 -0.001 0.000 0.828 318 A HN 0.294 nan 8.150 nan 0.000 0.455 319 L N -0.997 120.198 121.223 -0.047 0.000 1.973 319 L HA -0.066 4.277 4.340 0.006 0.000 0.208 319 L C 2.282 179.090 176.870 -0.103 0.000 1.073 319 L CA 2.243 57.052 54.840 -0.052 0.000 0.746 319 L CB -0.821 41.220 42.059 -0.029 0.000 0.891 319 L HN 0.374 nan 8.230 nan 0.000 0.433 320 L N 0.486 121.602 121.223 -0.178 0.000 2.064 320 L HA -0.310 4.034 4.340 0.006 0.000 0.216 320 L C 2.582 179.321 176.870 -0.220 0.000 1.077 320 L CA 2.651 57.328 54.840 -0.271 0.000 0.766 320 L CB -0.991 40.788 42.059 -0.467 0.000 0.890 320 L HN 0.554 nan 8.230 nan 0.000 0.435 321 K N -1.374 118.884 120.400 -0.236 0.000 2.152 321 K HA -0.136 4.188 4.320 0.006 0.000 0.206 321 K C 1.731 178.339 176.600 0.014 0.000 1.048 321 K CA 1.848 58.056 56.287 -0.132 0.000 0.933 321 K CB -0.129 32.292 32.500 -0.132 0.000 0.721 321 K HN 0.338 nan 8.250 nan 0.000 0.447 322 V N 0.374 120.284 119.914 -0.007 0.000 2.407 322 V HA -0.167 3.956 4.120 0.006 0.000 0.245 322 V C 2.265 178.387 176.094 0.047 0.000 1.041 322 V CA 1.267 63.585 62.300 0.030 0.000 1.040 322 V CB 0.095 31.926 31.823 0.013 0.000 0.671 322 V HN 0.167 nan 8.190 nan 0.000 0.455 323 V N -0.401 119.519 119.914 0.010 0.000 2.255 323 V HA -0.317 3.806 4.120 0.006 0.000 0.247 323 V C 2.559 178.704 176.094 0.084 0.000 1.051 323 V CA 2.023 64.330 62.300 0.011 0.000 1.018 323 V CB -0.726 31.061 31.823 -0.060 0.000 0.641 323 V HN 0.391 nan 8.190 nan 0.000 0.445 324 M N -0.350 119.300 119.600 0.083 0.000 2.149 324 M HA -0.152 4.332 4.480 0.006 0.000 0.261 324 M C 2.373 178.848 176.300 0.293 0.000 1.064 324 M CA 1.746 57.142 55.300 0.160 0.000 1.102 324 M CB -1.145 31.508 32.600 0.088 0.000 1.369 324 M HN 0.361 nan 8.290 nan 0.000 0.408 325 R N -0.137 120.518 120.500 0.259 0.000 2.081 325 R HA -0.146 4.197 4.340 0.006 0.000 0.235 325 R C 2.262 178.677 176.300 0.192 0.000 1.131 325 R CA 1.282 57.527 56.100 0.241 0.000 0.960 325 R CB -0.406 30.001 30.300 0.179 0.000 0.856 325 R HN 0.303 nan 8.270 nan 0.000 0.436 326 K N 0.086 120.587 120.400 0.167 0.000 2.057 326 K HA -0.125 4.198 4.320 0.006 0.000 0.206 326 K C 1.823 178.543 176.600 0.201 0.000 1.050 326 K CA 1.002 57.377 56.287 0.146 0.000 0.935 326 K CB -0.187 32.380 32.500 0.111 0.000 0.715 326 K HN -0.033 nan 8.250 nan 0.000 0.439 327 F N 0.934 120.911 119.950 0.045 0.000 2.014 327 F HA 0.029 4.559 4.527 0.005 0.000 0.295 327 F C 0.386 176.215 175.800 0.048 0.000 1.145 327 F CA 1.296 59.315 58.000 0.030 0.000 1.178 327 F CB -0.004 39.005 39.000 0.014 0.000 0.972 327 F HN -0.148 nan 8.300 nan 0.000 0.476 328 L N 1.751 122.991 121.223 0.028 0.000 2.445 328 L HA 0.329 4.673 4.340 0.006 0.000 0.252 328 L C -2.474 174.504 176.870 0.179 0.000 1.105 328 L CA -1.960 52.857 54.840 -0.037 0.000 0.943 328 L CB 0.828 42.886 42.059 -0.002 0.000 1.277 328 L HN -0.079 nan 8.230 nan 0.000 0.465 329 P HA -0.038 nan 4.420 nan 0.000 0.257 329 P C 0.770 178.142 177.300 0.120 0.000 1.189 329 P CA 0.252 63.427 63.100 0.125 0.000 0.780 329 P CB 1.175 32.918 31.700 0.072 0.000 0.772 330 A N 5.513 128.421 122.820 0.147 0.000 1.917 330 A HA -0.247 4.077 4.320 0.006 0.000 0.219 330 A C 2.181 179.784 177.584 0.033 0.000 1.182 330 A CA 2.246 54.334 52.037 0.085 0.000 0.633 330 A CB -1.479 17.550 19.000 0.049 0.000 0.819 330 A HN 0.493 nan 8.150 nan 0.000 0.448 331 A N 0.080 122.922 122.820 0.037 0.000 1.940 331 A HA -0.236 4.087 4.320 0.006 0.000 0.219 331 A C 1.689 179.278 177.584 0.009 0.000 1.176 331 A CA 2.156 54.205 52.037 0.020 0.000 0.631 331 A CB -0.773 18.246 19.000 0.031 0.000 0.814 331 A HN 0.583 nan 8.150 nan 0.000 0.446 332 D N -0.206 120.203 120.400 0.015 0.000 2.149 332 D HA 0.125 4.768 4.640 0.006 0.000 0.201 332 D C 2.209 178.504 176.300 -0.009 0.000 0.972 332 D CA 1.180 55.181 54.000 0.001 0.000 0.835 332 D CB -0.200 40.601 40.800 0.002 0.000 0.966 332 D HN 0.444 nan 8.370 nan 0.000 0.476 333 A N 0.673 123.493 122.820 -0.001 0.000 1.883 333 A HA -0.168 4.156 4.320 0.006 0.000 0.217 333 A C 2.131 179.691 177.584 -0.041 0.000 1.186 333 A CA 1.131 53.162 52.037 -0.010 0.000 0.624 333 A CB -0.823 18.178 19.000 0.002 0.000 0.822 333 A HN 0.203 nan 8.150 nan 0.000 0.444 334 L N -0.921 120.272 121.223 -0.050 0.000 2.109 334 L HA -0.091 4.253 4.340 0.006 0.000 0.207 334 L C 2.465 179.303 176.870 -0.054 0.000 1.086 334 L CA 0.767 55.567 54.840 -0.066 0.000 0.760 334 L CB -0.563 41.457 42.059 -0.064 0.000 0.910 334 L HN 0.337 nan 8.230 nan 0.000 0.437 335 L N -0.219 120.979 121.223 -0.042 0.000 2.201 335 L HA -0.177 4.167 4.340 0.006 0.000 0.212 335 L C 2.631 179.457 176.870 -0.073 0.000 1.105 335 L CA 0.986 55.795 54.840 -0.051 0.000 0.775 335 L CB -0.437 41.600 42.059 -0.037 0.000 0.913 335 L HN 0.370 nan 8.230 nan 0.000 0.440 336 E N 0.600 120.768 120.200 -0.054 0.000 2.072 336 E HA -0.222 4.132 4.350 0.006 0.000 0.191 336 E C 2.305 178.885 176.600 -0.032 0.000 0.985 336 E CA 1.162 57.531 56.400 -0.051 0.000 0.801 336 E CB 0.033 29.722 29.700 -0.019 0.000 0.750 336 E HN 0.465 nan 8.360 nan 0.000 0.452 337 M N 0.234 119.829 119.600 -0.009 0.000 2.254 337 M HA -0.078 4.406 4.480 0.006 0.000 0.265 337 M C 2.308 178.615 176.300 0.012 0.000 1.066 337 M CA 0.935 56.266 55.300 0.051 0.000 1.123 337 M CB -0.135 32.440 32.600 -0.042 0.000 1.388 337 M HN 0.180 nan 8.290 nan 0.000 0.425 338 I N -0.391 120.146 120.570 -0.055 0.000 2.252 338 I HA -0.221 3.952 4.170 0.006 0.000 0.245 338 I C 2.282 178.312 176.117 -0.145 0.000 1.102 338 I CA 1.016 62.270 61.300 -0.077 0.000 1.385 338 I CB -0.339 37.617 38.000 -0.074 0.000 1.064 338 I HN 0.057 nan 8.210 nan 0.000 0.414 339 V N 0.962 120.734 119.914 -0.237 0.000 2.323 339 V HA -0.202 3.922 4.120 0.006 0.000 0.244 339 V C 2.230 178.063 176.094 -0.435 0.000 1.041 339 V CA 1.496 63.514 62.300 -0.470 0.000 1.025 339 V CB -0.457 30.975 31.823 -0.653 0.000 0.656 339 V HN 0.356 nan 8.190 nan 0.000 0.451 340 L N -1.035 119.993 121.223 -0.324 0.000 2.313 340 L HA 0.017 4.360 4.340 0.006 0.000 0.214 340 L C 2.235 178.758 176.870 -0.579 0.000 1.119 340 L CA 1.020 55.609 54.840 -0.417 0.000 0.809 340 L CB -0.431 41.381 42.059 -0.411 0.000 0.933 340 L HN 0.448 nan 8.230 nan 0.000 0.449 341 H N -1.575 117.429 119.070 -0.109 0.000 3.205 341 H HA 0.330 4.890 4.556 0.007 0.000 0.252 341 H C 0.668 175.958 175.328 -0.064 0.000 1.015 341 H CA -0.247 55.755 56.048 -0.076 0.000 1.192 341 H CB 1.016 30.732 29.762 -0.077 0.000 1.474 341 H HN 0.121 nan 8.280 nan 0.000 0.484 342 L N 4.531 125.764 121.223 0.017 0.000 2.371 342 L HA 0.208 4.551 4.340 0.006 0.000 0.272 342 L C -1.974 174.896 176.870 0.001 0.000 1.124 342 L CA -1.701 53.143 54.840 0.007 0.000 0.816 342 L CB 0.887 42.937 42.059 -0.015 0.000 1.129 342 L HN -0.088 nan 8.230 nan 0.000 0.448 343 P HA 0.080 nan 4.420 nan 0.000 0.275 343 P C -0.679 176.637 177.300 0.025 0.000 1.228 343 P CA -0.411 62.720 63.100 0.051 0.000 0.786 343 P CB 1.261 33.030 31.700 0.116 0.000 0.927 344 S N 2.274 117.989 115.700 0.025 0.000 2.645 344 S HA 0.333 4.806 4.470 0.006 0.000 0.266 344 S C -1.880 172.721 174.600 0.001 0.000 1.258 344 S CA -1.313 56.902 58.200 0.024 0.000 0.990 344 S CB -0.075 63.153 63.200 0.047 0.000 0.967 344 S HN 0.241 nan 8.310 nan 0.000 0.556 345 P HA 0.054 nan 4.420 nan 0.000 0.236 345 P C 0.669 177.951 177.300 -0.029 0.000 1.172 345 P CA 0.320 63.401 63.100 -0.032 0.000 0.759 345 P CB -0.081 31.588 31.700 -0.052 0.000 0.843 346 V N -2.100 117.802 119.914 -0.019 0.000 3.048 346 V HA -0.070 4.054 4.120 0.006 0.000 0.241 346 V C 2.097 178.171 176.094 -0.033 0.000 1.129 346 V CA 1.660 63.949 62.300 -0.019 0.000 1.128 346 V CB -1.302 30.521 31.823 -0.001 0.000 0.849 346 V HN 0.095 nan 8.190 nan 0.000 0.475 347 T N 1.084 115.628 114.554 -0.017 0.000 2.812 347 T HA -0.027 4.326 4.350 0.006 0.000 0.264 347 T C 2.012 176.644 174.700 -0.114 0.000 1.042 347 T CA 1.557 63.668 62.100 0.017 0.000 1.140 347 T CB -0.272 68.648 68.868 0.086 0.000 0.870 347 T HN 0.484 nan 8.240 nan 0.000 0.445 348 A N 1.392 124.047 122.820 -0.274 0.000 1.975 348 A HA 0.001 4.325 4.320 0.006 0.000 0.215 348 A C 2.302 179.361 177.584 -0.876 0.000 1.170 348 A CA 0.679 52.199 52.037 -0.862 0.000 0.656 348 A CB -0.452 18.352 19.000 -0.327 0.000 0.821 348 A HN 0.468 nan 8.150 nan 0.000 0.449 349 Q N -0.384 119.206 119.800 -0.351 0.000 2.224 349 Q HA -0.095 4.249 4.340 0.006 0.000 0.203 349 Q C 2.330 178.201 176.000 -0.215 0.000 0.970 349 Q CA 1.089 56.778 55.803 -0.191 0.000 0.865 349 Q CB -0.366 28.369 28.738 -0.004 0.000 0.922 349 Q HN 0.682 nan 8.270 nan 0.000 0.445 350 A N 1.114 123.804 122.820 -0.215 0.000 1.940 350 A HA -0.200 4.123 4.320 0.006 0.000 0.219 350 A C 1.660 179.226 177.584 -0.030 0.000 1.176 350 A CA 1.601 53.586 52.037 -0.087 0.000 0.631 350 A CB -0.618 18.375 19.000 -0.010 0.000 0.814 350 A HN 0.628 nan 8.150 nan 0.000 0.446 351 Y N -3.704 116.597 120.300 0.002 0.000 2.467 351 Y HA 0.567 5.121 4.550 0.006 0.000 0.250 351 Y C 1.758 177.650 175.900 -0.013 0.000 1.155 351 Y CA -0.044 58.052 58.100 -0.006 0.000 1.249 351 Y CB -0.076 38.383 38.460 -0.002 0.000 1.146 351 Y HN 0.094 nan 8.280 nan 0.000 0.524 352 R N 0.213 120.634 120.500 -0.132 0.000 2.279 352 R HA 0.338 4.682 4.340 0.006 0.000 0.195 352 R C 2.299 178.533 176.300 -0.110 0.000 0.905 352 R CA 0.775 56.833 56.100 -0.071 0.000 1.044 352 R CB 0.009 30.219 30.300 -0.149 0.000 1.056 352 R HN 0.363 nan 8.270 nan 0.000 0.535 353 A N 1.643 124.383 122.820 -0.133 0.000 1.869 353 A HA -0.281 4.042 4.320 0.006 0.000 0.218 353 A C 1.761 179.302 177.584 -0.071 0.000 1.203 353 A CA 1.942 53.894 52.037 -0.143 0.000 0.638 353 A CB -0.592 18.341 19.000 -0.111 0.000 0.831 353 A HN 0.399 nan 8.150 nan 0.000 0.450 354 E N -1.071 119.115 120.200 -0.023 0.000 2.130 354 E HA -0.288 4.066 4.350 0.006 0.000 0.196 354 E C 2.250 178.853 176.600 0.006 0.000 0.998 354 E CA 1.457 57.866 56.400 0.015 0.000 0.806 354 E CB -0.178 29.532 29.700 0.018 0.000 0.738 354 E HN 0.801 nan 8.360 nan 0.000 0.459 355 Q N 0.191 119.981 119.800 -0.017 0.000 2.230 355 Q HA -0.073 4.270 4.340 0.006 0.000 0.202 355 Q C 1.911 177.873 176.000 -0.063 0.000 0.963 355 Q CA 0.660 56.446 55.803 -0.028 0.000 0.866 355 Q CB 0.232 28.961 28.738 -0.015 0.000 0.931 355 Q HN 0.312 nan 8.270 nan 0.000 0.452 356 L N -0.594 120.562 121.223 -0.110 0.000 2.529 356 L HA 0.096 4.439 4.340 0.006 0.000 0.223 356 L C 0.033 176.864 176.870 -0.064 0.000 1.113 356 L CA -0.150 54.581 54.840 -0.181 0.000 0.861 356 L CB 0.291 42.088 42.059 -0.436 0.000 1.012 356 L HN 0.148 nan 8.230 nan 0.000 0.461 357 Y N 0.579 120.792 120.300 -0.145 0.000 2.342 357 Y HA 0.213 4.767 4.550 0.006 0.000 0.338 357 Y C 0.794 176.651 175.900 -0.072 0.000 0.965 357 Y CA -1.075 56.971 58.100 -0.091 0.000 1.159 357 Y CB 1.139 39.546 38.460 -0.089 0.000 1.157 357 Y HN -0.091 nan 8.280 nan 0.000 0.486 358 E N 3.068 122.973 120.200 -0.491 0.000 2.321 358 E HA 0.246 4.599 4.350 0.006 0.000 0.189 358 E C 0.322 176.521 176.600 -0.667 0.000 1.125 358 E CA 0.187 56.349 56.400 -0.397 0.000 1.005 358 E CB -0.285 29.289 29.700 -0.211 0.000 1.140 358 E HN 0.856 nan 8.360 nan 0.000 0.457 359 G N -0.166 107.998 108.800 -1.061 0.000 3.209 359 G HA2 0.457 4.420 3.960 0.006 0.000 0.236 359 G HA3 0.457 4.420 3.960 0.006 0.000 0.236 359 G C -2.574 172.162 174.900 -0.274 0.000 1.329 359 G CA -1.382 43.094 45.100 -1.040 0.000 1.015 359 G HN -0.027 nan 8.290 nan 0.000 0.571 360 P HA 0.295 nan 4.420 nan 0.000 0.271 360 P C 0.486 177.849 177.300 0.105 0.000 1.226 360 P CA 0.133 63.248 63.100 0.024 0.000 0.765 360 P CB 1.382 33.108 31.700 0.043 0.000 0.835 361 A N 3.276 126.129 122.820 0.055 0.000 2.272 361 A HA -0.155 4.169 4.320 0.006 0.000 0.213 361 A C 0.986 178.582 177.584 0.019 0.000 1.183 361 A CA 1.685 53.751 52.037 0.047 0.000 0.719 361 A CB -0.938 18.076 19.000 0.023 0.000 0.771 361 A HN 0.649 nan 8.150 nan 0.000 0.484 362 D N -2.059 118.353 120.400 0.019 0.000 2.520 362 D HA 0.155 4.799 4.640 0.006 0.000 0.223 362 D C 0.139 176.439 176.300 -0.001 0.000 1.186 362 D CA -0.189 53.812 54.000 0.002 0.000 0.821 362 D CB -0.443 40.361 40.800 0.007 0.000 1.072 362 D HN 0.255 nan 8.370 nan 0.000 0.518 363 D N 0.219 120.629 120.400 0.017 0.000 2.443 363 D HA 0.182 4.826 4.640 0.006 0.000 0.234 363 D C 1.620 177.891 176.300 -0.048 0.000 1.172 363 D CA 0.650 54.666 54.000 0.026 0.000 0.878 363 D CB 1.093 41.969 40.800 0.128 0.000 1.204 363 D HN 0.098 nan 8.370 nan 0.000 0.453 364 A N 3.089 125.896 122.820 -0.022 0.000 2.024 364 A HA -0.247 4.076 4.320 0.006 0.000 0.220 364 A C 1.790 179.318 177.584 -0.093 0.000 1.164 364 A CA 1.827 53.841 52.037 -0.039 0.000 0.643 364 A CB -0.558 18.438 19.000 -0.007 0.000 0.806 364 A HN 0.727 nan 8.150 nan 0.000 0.451 365 N N -1.247 117.352 118.700 -0.168 0.000 2.305 365 N HA -0.065 4.678 4.740 0.006 0.000 0.179 365 N C 1.619 176.867 175.510 -0.437 0.000 1.019 365 N CA 1.082 53.970 53.050 -0.270 0.000 0.869 365 N CB -0.701 37.616 38.487 -0.283 0.000 1.000 365 N HN 0.513 nan 8.380 nan 0.000 0.431 366 C N 0.861 119.754 119.300 -0.679 0.000 2.403 366 C HA -0.025 4.438 4.460 0.006 0.000 0.277 366 C C 2.332 177.178 174.990 -0.240 0.000 1.248 366 C CA 0.611 59.301 59.018 -0.547 0.000 1.762 366 C CB -1.246 26.295 27.740 -0.332 0.000 2.014 366 C HN 0.376 nan 8.230 nan 0.000 0.486 367 I N 1.393 121.861 120.570 -0.171 0.000 2.133 367 I HA -0.135 4.039 4.170 0.006 0.000 0.238 367 I C 2.920 178.985 176.117 -0.086 0.000 1.074 367 I CA 1.661 62.904 61.300 -0.095 0.000 1.342 367 I CB -0.806 37.155 38.000 -0.064 0.000 1.053 367 I HN 0.357 nan 8.210 nan 0.000 0.404 368 A N 1.012 123.776 122.820 -0.092 0.000 2.084 368 A HA -0.186 4.137 4.320 0.006 0.000 0.221 368 A C 2.206 179.762 177.584 -0.047 0.000 1.161 368 A CA 1.435 53.435 52.037 -0.060 0.000 0.653 368 A CB -0.659 18.308 19.000 -0.055 0.000 0.802 368 A HN 0.380 nan 8.150 nan 0.000 0.457 369 I N -0.612 119.909 120.570 -0.081 0.000 2.235 369 I HA -0.159 4.015 4.170 0.006 0.000 0.241 369 I C 2.255 178.355 176.117 -0.029 0.000 1.085 369 I CA 1.419 62.693 61.300 -0.042 0.000 1.378 369 I CB -1.321 36.604 38.000 -0.126 0.000 1.076 369 I HN 0.331 nan 8.210 nan 0.000 0.415 370 K N 1.055 121.420 120.400 -0.058 0.000 2.044 370 K HA -0.174 4.150 4.320 0.006 0.000 0.210 370 K C 1.508 178.090 176.600 -0.029 0.000 1.049 370 K CA 1.560 57.819 56.287 -0.047 0.000 0.927 370 K CB -0.146 32.330 32.500 -0.040 0.000 0.713 370 K HN 0.353 nan 8.250 nan 0.000 0.443 371 N N 0.323 119.009 118.700 -0.024 0.000 2.461 371 N HA -0.056 4.687 4.740 0.006 0.000 0.188 371 N C 0.154 175.659 175.510 -0.008 0.000 1.134 371 N CA 0.403 53.444 53.050 -0.015 0.000 0.878 371 N CB -0.174 38.304 38.487 -0.016 0.000 0.972 371 N HN 0.197 nan 8.380 nan 0.000 0.456 372 C N 2.520 121.821 119.300 0.001 0.000 3.592 372 C HA -0.236 4.227 4.460 0.006 0.000 0.281 372 C C 0.055 175.045 174.990 -0.000 0.000 1.400 372 C CA -0.336 58.689 59.018 0.011 0.000 2.104 372 C CB -2.507 25.235 27.740 0.004 0.000 1.369 372 C HN 0.385 nan 8.230 nan 0.000 0.597 373 D N 1.943 122.341 120.400 -0.002 0.000 2.339 373 D HA 0.312 4.955 4.640 0.006 0.000 0.241 373 D C -0.312 175.984 176.300 -0.006 0.000 1.183 373 D CA -2.010 51.986 54.000 -0.007 0.000 0.859 373 D CB 0.962 41.755 40.800 -0.011 0.000 1.067 373 D HN 0.410 nan 8.370 nan 0.000 0.484 374 P HA -0.085 nan 4.420 nan 0.000 0.237 374 P C 0.536 177.830 177.300 -0.010 0.000 1.178 374 P CA 0.489 63.583 63.100 -0.011 0.000 0.766 374 P CB 0.435 32.125 31.700 -0.017 0.000 0.876 375 K N -0.472 119.922 120.400 -0.009 0.000 2.323 375 K HA 0.221 4.544 4.320 0.006 0.000 0.197 375 K C 1.462 178.058 176.600 -0.007 0.000 1.043 375 K CA 0.126 56.408 56.287 -0.008 0.000 0.997 375 K CB -0.129 32.366 32.500 -0.009 0.000 0.807 375 K HN 0.083 nan 8.250 nan 0.000 0.497 376 A N 1.961 124.777 122.820 -0.007 0.000 2.310 376 A HA 0.065 4.389 4.320 0.006 0.000 0.260 376 A C -0.110 177.473 177.584 -0.001 0.000 1.112 376 A CA -0.268 51.764 52.037 -0.007 0.000 0.804 376 A CB 0.047 19.039 19.000 -0.013 0.000 1.081 376 A HN 0.129 nan 8.150 nan 0.000 0.499 377 D N 0.083 120.484 120.400 0.001 0.000 2.488 377 D HA 0.158 4.802 4.640 0.006 0.000 0.238 377 D C 0.245 176.556 176.300 0.018 0.000 1.138 377 D CA 0.181 54.187 54.000 0.010 0.000 0.873 377 D CB 0.435 41.245 40.800 0.016 0.000 1.183 377 D HN 0.387 nan 8.370 nan 0.000 0.458 378 L N 2.999 124.235 121.223 0.021 0.000 2.573 378 L HA -0.075 4.269 4.340 0.006 0.000 0.290 378 L C -0.103 176.803 176.870 0.061 0.000 1.247 378 L CA 0.865 55.724 54.840 0.033 0.000 0.876 378 L CB 0.128 42.201 42.059 0.024 0.000 1.123 378 L HN 0.316 nan 8.230 nan 0.000 0.505 379 M N 7.236 126.888 119.600 0.088 0.000 2.151 379 M HA 0.286 4.769 4.480 0.006 0.000 0.229 379 M C -1.216 175.205 176.300 0.202 0.000 1.029 379 M CA -0.097 55.292 55.300 0.149 0.000 0.765 379 M CB 0.728 33.414 32.600 0.143 0.000 1.969 379 M HN 0.537 nan 8.290 nan 0.000 0.352 380 L N 1.933 123.255 121.223 0.165 0.000 2.282 380 L HA 0.514 4.858 4.340 0.006 0.000 0.288 380 L C -1.419 175.582 176.870 0.220 0.000 1.033 380 L CA -0.703 54.229 54.840 0.153 0.000 0.807 380 L CB 1.438 43.532 42.059 0.058 0.000 1.209 380 L HN 0.534 nan 8.230 nan 0.000 0.423 381 Y N 4.630 125.033 120.300 0.172 0.000 2.326 381 Y HA 0.433 4.987 4.550 0.006 0.000 0.337 381 Y C -0.572 175.396 175.900 0.112 0.000 1.023 381 Y CA -0.443 57.778 58.100 0.202 0.000 1.143 381 Y CB 1.451 40.138 38.460 0.378 0.000 1.183 381 Y HN 0.274 nan 8.280 nan 0.000 0.485 382 V N 6.916 126.587 119.914 -0.405 0.000 2.318 382 V HA 0.095 4.218 4.120 0.006 0.000 0.271 382 V C 0.662 176.607 176.094 -0.248 0.000 1.030 382 V CA 0.355 62.532 62.300 -0.207 0.000 0.844 382 V CB 0.577 32.330 31.823 -0.117 0.000 1.015 382 V HN 0.997 nan 8.190 nan 0.000 0.460 383 S N 4.023 119.787 115.700 0.107 0.000 2.414 383 S HA 0.072 4.546 4.470 0.006 0.000 0.227 383 S C 0.553 175.317 174.600 0.273 0.000 1.022 383 S CA 0.316 58.713 58.200 0.328 0.000 0.958 383 S CB -0.039 63.469 63.200 0.515 0.000 0.797 383 S HN 0.865 nan 8.310 nan 0.000 0.493 384 K N -0.864 119.681 120.400 0.242 0.000 2.642 384 K HA 0.495 4.818 4.320 0.006 0.000 0.290 384 K C -1.606 175.076 176.600 0.138 0.000 1.006 384 K CA -0.986 55.379 56.287 0.129 0.000 0.869 384 K CB 0.655 33.218 32.500 0.106 0.000 1.499 384 K HN -0.098 nan 8.250 nan 0.000 0.403 385 M N 2.631 122.270 119.600 0.064 0.000 2.149 385 M HA 0.302 4.785 4.480 0.006 0.000 0.342 385 M C -0.550 175.886 176.300 0.227 0.000 1.068 385 M CA -0.906 54.481 55.300 0.144 0.000 0.991 385 M CB 1.129 33.755 32.600 0.042 0.000 1.596 385 M HN 0.649 nan 8.290 nan 0.000 0.439 386 V N 2.513 122.562 119.914 0.225 0.000 2.483 386 V HA 0.698 4.822 4.120 0.006 0.000 0.295 386 V C -2.745 173.289 176.094 -0.100 0.000 1.035 386 V CA -2.444 59.909 62.300 0.089 0.000 0.896 386 V CB 1.385 33.201 31.823 -0.013 0.000 0.986 386 V HN 0.579 nan 8.190 nan 0.000 0.447 387 P HA 0.294 nan 4.420 nan 0.000 0.271 387 P C -0.025 176.923 177.300 -0.587 0.000 1.220 387 P CA 0.412 63.015 63.100 -0.828 0.000 0.768 387 P CB 0.613 31.986 31.700 -0.545 0.000 0.848 388 T N -1.459 112.681 114.554 -0.691 0.000 2.940 388 T HA 0.357 4.711 4.350 0.006 0.000 0.288 388 T C 1.262 175.722 174.700 -0.399 0.000 1.045 388 T CA -0.255 61.496 62.100 -0.583 0.000 1.018 388 T CB 1.134 69.414 68.868 -0.980 0.000 1.151 388 T HN 0.229 nan 8.240 nan 0.000 0.529 389 S N -0.340 115.198 115.700 -0.269 0.000 2.436 389 S HA -0.027 4.447 4.470 0.006 0.000 0.228 389 S C 0.821 175.339 174.600 -0.136 0.000 1.014 389 S CA 0.676 58.778 58.200 -0.164 0.000 0.950 389 S CB -0.823 62.322 63.200 -0.092 0.000 0.784 389 S HN 0.877 nan 8.310 nan 0.000 0.504 390 D N 2.204 122.516 120.400 -0.146 0.000 2.479 390 D HA 0.289 4.933 4.640 0.006 0.000 0.253 390 D C 0.230 176.483 176.300 -0.079 0.000 1.278 390 D CA 0.344 54.300 54.000 -0.074 0.000 1.145 390 D CB -0.604 40.193 40.800 -0.005 0.000 1.118 390 D HN 0.344 nan 8.370 nan 0.000 0.513 391 K N 1.276 121.637 120.400 -0.065 0.000 1.667 391 K HA -0.149 4.174 4.320 0.006 0.000 0.669 391 K C 0.791 177.341 176.600 -0.084 0.000 1.959 391 K CA 1.349 57.607 56.287 -0.049 0.000 0.980 391 K CB -1.396 31.093 32.500 -0.019 0.000 1.773 391 K HN 0.348 nan 8.250 nan 0.000 0.520 392 G N 0.707 109.482 108.800 -0.042 0.000 3.523 392 G HA2 0.184 4.147 3.960 0.006 0.000 0.270 392 G HA3 0.184 4.147 3.960 0.006 0.000 0.270 392 G C -0.274 174.641 174.900 0.024 0.000 1.134 392 G CA -0.205 44.877 45.100 -0.031 0.000 0.825 392 G HN 0.230 nan 8.290 nan 0.000 0.534 393 R N -0.067 120.413 120.500 -0.033 0.000 2.679 393 R HA 0.394 4.737 4.340 0.006 0.000 0.269 393 R C -0.995 175.256 176.300 -0.082 0.000 1.076 393 R CA -0.086 56.057 56.100 0.071 0.000 1.160 393 R CB 0.497 30.834 30.300 0.062 0.000 1.054 393 R HN 0.153 nan 8.270 nan 0.000 0.507 394 F N 0.841 120.760 119.950 -0.052 0.000 2.520 394 F HA 0.325 4.855 4.527 0.006 0.000 0.322 394 F C -0.246 175.649 175.800 0.157 0.000 1.103 394 F CA -1.029 56.943 58.000 -0.046 0.000 0.926 394 F CB 1.321 40.299 39.000 -0.038 0.000 1.154 394 F HN 0.206 nan 8.300 nan 0.000 0.453 395 Y N 1.723 122.100 120.300 0.128 0.000 2.323 395 Y HA 0.579 5.132 4.550 0.006 0.000 0.331 395 Y C 0.412 176.397 175.900 0.141 0.000 1.092 395 Y CA -2.142 56.022 58.100 0.108 0.000 1.150 395 Y CB 0.931 39.435 38.460 0.075 0.000 1.200 395 Y HN 0.615 nan 8.280 nan 0.000 0.472 396 A N 4.383 127.364 122.820 0.269 0.000 2.401 396 A HA 0.413 4.737 4.320 0.006 0.000 0.259 396 A C -1.079 176.645 177.584 0.234 0.000 1.103 396 A CA -0.160 51.997 52.037 0.200 0.000 0.789 396 A CB -0.309 18.760 19.000 0.115 0.000 1.035 396 A HN 0.595 nan 8.150 nan 0.000 0.491 397 F N 2.273 122.272 119.950 0.081 0.000 2.495 397 F HA 0.694 5.224 4.527 0.006 0.000 0.327 397 F C 0.420 176.264 175.800 0.074 0.000 1.103 397 F CA 0.605 58.651 58.000 0.075 0.000 0.949 397 F CB 1.728 40.775 39.000 0.078 0.000 1.142 397 F HN 0.919 nan 8.300 nan 0.000 0.457 398 G N 4.787 113.192 108.800 -0.658 0.000 2.427 398 G HA2 0.419 4.383 3.960 0.006 0.000 0.306 398 G HA3 0.419 4.383 3.960 0.006 0.000 0.306 398 G C -2.159 172.486 174.900 -0.426 0.000 1.280 398 G CA -1.186 43.686 45.100 -0.379 0.000 0.837 398 G HN 0.780 nan 8.290 nan 0.000 0.482 399 R N -0.488 119.891 120.500 -0.202 0.000 2.628 399 R HA 0.596 4.940 4.340 0.006 0.000 0.288 399 R C -1.261 174.872 176.300 -0.277 0.000 0.980 399 R CA -0.584 55.317 56.100 -0.331 0.000 0.891 399 R CB 2.199 32.181 30.300 -0.529 0.000 1.188 399 R HN 0.370 nan 8.270 nan 0.000 0.450 400 V N 6.366 126.125 119.914 -0.258 0.000 2.313 400 V HA 0.144 4.268 4.120 0.006 0.000 0.252 400 V C 0.465 176.462 176.094 -0.162 0.000 1.112 400 V CA -0.001 62.219 62.300 -0.133 0.000 0.984 400 V CB 0.072 31.839 31.823 -0.092 0.000 1.157 400 V HN 0.770 nan 8.190 nan 0.000 0.493 401 F N 2.616 122.572 119.950 0.010 0.000 2.699 401 F HA 0.382 4.913 4.527 0.006 0.000 0.298 401 F C 1.278 177.065 175.800 -0.022 0.000 1.154 401 F CA 0.841 58.836 58.000 -0.009 0.000 1.457 401 F CB 0.173 39.174 39.000 0.002 0.000 1.106 401 F HN 0.586 nan 8.300 nan 0.000 0.585 402 A N -1.330 121.564 122.820 0.125 0.000 2.590 402 A HA 0.569 4.893 4.320 0.006 0.000 0.296 402 A C 0.164 177.767 177.584 0.032 0.000 1.050 402 A CA -0.351 51.723 52.037 0.061 0.000 0.697 402 A CB 0.083 19.113 19.000 0.051 0.000 1.277 402 A HN 0.727 nan 8.150 nan 0.000 0.411 403 G N 0.063 108.871 108.800 0.012 0.000 2.697 403 G HA2 0.430 4.393 3.960 0.006 0.000 0.240 403 G HA3 0.430 4.393 3.960 0.006 0.000 0.240 403 G C 0.210 175.107 174.900 -0.004 0.000 1.346 403 G CA 0.463 45.565 45.100 0.003 0.000 0.887 403 G HN 2.907 nan 8.290 nan 0.000 0.569 404 T N -3.621 110.929 114.554 -0.008 0.000 2.916 404 T HA 0.658 5.012 4.350 0.006 0.000 0.298 404 T C -0.396 174.295 174.700 -0.015 0.000 1.031 404 T CA 0.119 62.209 62.100 -0.016 0.000 0.993 404 T CB 1.882 70.739 68.868 -0.020 0.000 1.045 404 T HN 2.054 nan 8.240 nan 0.000 0.454 405 V N 3.631 123.533 119.914 -0.021 0.000 2.509 405 V HA 0.776 4.900 4.120 0.006 0.000 0.284 405 V C -0.627 175.452 176.094 -0.024 0.000 1.047 405 V CA -0.441 61.847 62.300 -0.021 0.000 0.952 405 V CB 0.820 32.628 31.823 -0.025 0.000 0.988 405 V HN 1.172 nan 8.190 nan 0.000 0.469 406 K N 3.636 124.023 120.400 -0.022 0.000 2.469 406 K HA 0.635 4.959 4.320 0.006 0.000 0.254 406 K C -0.604 175.982 176.600 -0.023 0.000 0.939 406 K CA -0.579 55.694 56.287 -0.023 0.000 0.812 406 K CB 1.782 34.271 32.500 -0.019 0.000 1.301 406 K HN 0.416 nan 8.250 nan 0.000 0.433 407 S N 0.783 116.468 115.700 -0.025 0.000 2.552 407 S HA 0.295 4.768 4.470 0.006 0.000 0.289 407 S C 1.254 175.843 174.600 -0.018 0.000 1.304 407 S CA 1.025 59.210 58.200 -0.025 0.000 1.063 407 S CB 0.365 63.549 63.200 -0.026 0.000 0.848 407 S HN 1.044 nan 8.310 nan 0.000 0.499 408 G N 2.115 110.906 108.800 -0.015 0.000 2.336 408 G HA2 -0.311 3.653 3.960 0.006 0.000 0.233 408 G HA3 -0.311 3.653 3.960 0.006 0.000 0.233 408 G C 0.202 175.095 174.900 -0.012 0.000 1.053 408 G CA 0.307 45.400 45.100 -0.011 0.000 0.625 408 G HN 0.792 nan 8.290 nan 0.000 0.511 409 Q N 1.840 121.632 119.800 -0.015 0.000 2.348 409 Q HA 0.222 4.565 4.340 0.006 0.000 0.331 409 Q C 0.601 176.589 176.000 -0.020 0.000 1.099 409 Q CA 0.972 56.765 55.803 -0.016 0.000 1.021 409 Q CB 0.194 28.922 28.738 -0.017 0.000 1.166 409 Q HN 0.690 nan 8.270 nan 0.000 0.393 410 K N 2.005 122.391 120.400 -0.023 0.000 2.213 410 K HA 0.525 4.849 4.320 0.006 0.000 0.270 410 K C -1.188 175.388 176.600 -0.040 0.000 1.002 410 K CA -0.839 55.427 56.287 -0.034 0.000 0.868 410 K CB 1.535 34.014 32.500 -0.034 0.000 1.093 410 K HN 0.292 nan 8.250 nan 0.000 0.454 411 V N 2.676 122.558 119.914 -0.054 0.000 3.046 411 V HA 0.436 4.560 4.120 0.006 0.000 0.316 411 V C -0.290 175.753 176.094 -0.084 0.000 1.104 411 V CA -1.316 60.952 62.300 -0.054 0.000 1.006 411 V CB 1.901 33.701 31.823 -0.038 0.000 1.058 411 V HN 0.759 nan 8.190 nan 0.000 0.440 412 R N 2.102 122.553 120.500 -0.082 0.000 2.221 412 R HA 0.557 4.900 4.340 0.006 0.000 0.327 412 R C -0.868 175.356 176.300 -0.127 0.000 1.033 412 R CA -0.210 55.813 56.100 -0.129 0.000 0.887 412 R CB 0.725 30.941 30.300 -0.140 0.000 1.057 412 R HN 0.558 nan 8.270 nan 0.000 0.455 413 I N 4.236 124.732 120.570 -0.123 0.000 2.287 413 I HA 0.084 4.257 4.170 0.006 0.000 0.290 413 I C 0.127 176.196 176.117 -0.080 0.000 1.069 413 I CA -0.304 60.970 61.300 -0.043 0.000 1.237 413 I CB 0.912 38.935 38.000 0.039 0.000 1.418 413 I HN 0.401 nan 8.210 nan 0.000 0.481 414 Q N 5.514 125.225 119.800 -0.149 0.000 2.361 414 Q HA 0.354 4.697 4.340 0.006 0.000 0.250 414 Q C 0.602 176.612 176.000 0.016 0.000 1.023 414 Q CA -0.448 55.205 55.803 -0.250 0.000 0.915 414 Q CB 1.513 30.094 28.738 -0.262 0.000 1.238 414 Q HN 0.776 nan 8.270 nan 0.000 0.451 415 G N 3.047 111.900 108.800 0.088 0.000 2.621 415 G HA2 0.122 4.086 3.960 0.006 0.000 0.271 415 G HA3 0.122 4.086 3.960 0.006 0.000 0.271 415 G C -1.717 173.290 174.900 0.178 0.000 1.236 415 G CA -1.159 44.044 45.100 0.172 0.000 0.958 415 G HN 0.348 nan 8.290 nan 0.000 0.512 416 P HA -0.132 nan 4.420 nan 0.000 0.216 416 P C 1.379 178.765 177.300 0.143 0.000 1.157 416 P CA 1.181 64.371 63.100 0.150 0.000 0.880 416 P CB 0.174 31.962 31.700 0.146 0.000 0.791 417 N N -2.569 116.217 118.700 0.144 0.000 2.461 417 N HA -0.057 4.686 4.740 0.006 0.000 0.188 417 N C 0.432 176.012 175.510 0.117 0.000 1.134 417 N CA 0.091 53.210 53.050 0.115 0.000 0.878 417 N CB -0.484 38.066 38.487 0.105 0.000 0.972 417 N HN 0.248 nan 8.380 nan 0.000 0.456 418 Y N 1.532 121.841 120.300 0.015 0.000 2.578 418 Y HA 0.136 4.689 4.550 0.006 0.000 0.339 418 Y C -0.058 175.827 175.900 -0.025 0.000 1.231 418 Y CA -0.020 58.069 58.100 -0.018 0.000 1.461 418 Y CB 0.619 39.066 38.460 -0.021 0.000 1.323 418 Y HN -0.277 nan 8.280 nan 0.000 0.590 419 V N 8.040 127.379 119.914 -0.959 0.000 2.752 419 V HA 0.169 4.292 4.120 0.006 0.000 0.302 419 V C -1.943 173.474 176.094 -1.129 0.000 1.133 419 V CA -1.441 60.389 62.300 -0.783 0.000 0.919 419 V CB 1.891 33.500 31.823 -0.356 0.000 1.026 419 V HN 0.643 nan 8.190 nan 0.000 0.429 420 P HA -0.215 nan 4.420 nan 0.000 0.218 420 P C 1.518 178.620 177.300 -0.330 0.000 1.150 420 P CA 2.067 64.832 63.100 -0.559 0.000 0.841 420 P CB 0.291 31.697 31.700 -0.490 0.000 0.784 421 G N -0.694 107.924 108.800 -0.304 0.000 2.666 421 G HA2 -0.168 3.795 3.960 0.006 0.000 0.215 421 G HA3 -0.168 3.795 3.960 0.006 0.000 0.215 421 G C 0.795 175.613 174.900 -0.137 0.000 1.294 421 G CA 0.828 45.825 45.100 -0.171 0.000 0.811 421 G HN 0.214 nan 8.290 nan 0.000 0.594 422 K N -0.680 119.630 120.400 -0.150 0.000 2.284 422 K HA 0.367 4.690 4.320 0.006 0.000 0.243 422 K C 1.095 177.681 176.600 -0.022 0.000 1.075 422 K CA 0.130 56.369 56.287 -0.080 0.000 0.868 422 K CB 0.379 32.841 32.500 -0.064 0.000 1.157 422 K HN 0.202 nan 8.250 nan 0.000 0.512 423 K N 0.464 120.875 120.400 0.018 0.000 2.413 423 K HA 0.082 4.406 4.320 0.006 0.000 0.204 423 K C -0.816 175.801 176.600 0.029 0.000 1.041 423 K CA -0.020 56.300 56.287 0.055 0.000 1.082 423 K CB 0.527 33.028 32.500 0.002 0.000 0.871 423 K HN 0.481 nan 8.250 nan 0.000 0.535 424 D N 2.056 122.480 120.400 0.041 0.000 2.414 424 D HA -0.043 4.600 4.640 0.006 0.000 0.242 424 D C 0.121 176.446 176.300 0.041 0.000 1.129 424 D CA 0.760 54.771 54.000 0.019 0.000 0.885 424 D CB 0.800 41.619 40.800 0.032 0.000 1.198 424 D HN 0.195 nan 8.370 nan 0.000 0.437 425 D N 0.402 120.749 120.400 -0.089 0.000 2.772 425 D HA -0.205 4.439 4.640 0.006 0.000 0.233 425 D C -0.846 175.221 176.300 -0.389 0.000 1.143 425 D CA 0.451 54.366 54.000 -0.143 0.000 0.700 425 D CB -0.798 40.059 40.800 0.095 0.000 1.076 425 D HN 0.203 nan 8.370 nan 0.000 0.430 426 L N -0.142 120.657 121.223 -0.707 0.000 2.342 426 L HA 0.696 5.040 4.340 0.006 0.000 0.271 426 L C -1.065 175.174 176.870 -1.052 0.000 1.008 426 L CA -0.562 53.850 54.840 -0.714 0.000 0.818 426 L CB 1.453 43.249 42.059 -0.439 0.000 1.296 426 L HN -0.068 nan 8.230 nan 0.000 0.427 427 F N 5.549 125.370 119.950 -0.215 0.000 3.050 427 F HA 0.407 4.937 4.527 0.006 0.000 0.382 427 F C -0.151 175.432 175.800 -0.361 0.000 1.246 427 F CA -0.505 57.325 58.000 -0.283 0.000 1.217 427 F CB 0.542 39.320 39.000 -0.370 0.000 1.795 427 F HN 0.216 nan 8.300 nan 0.000 0.622 428 I N 2.972 123.454 120.570 -0.148 0.000 2.593 428 I HA 0.012 4.186 4.170 0.006 0.000 0.304 428 I C 0.385 176.399 176.117 -0.173 0.000 1.176 428 I CA 0.424 61.636 61.300 -0.147 0.000 1.533 428 I CB -0.130 37.806 38.000 -0.105 0.000 1.492 428 I HN 0.367 nan 8.210 nan 0.000 0.704 429 K N 5.220 125.470 120.400 -0.250 0.000 2.246 429 K HA 0.859 5.183 4.320 0.006 0.000 0.239 429 K C -1.063 175.458 176.600 -0.131 0.000 1.089 429 K CA -0.742 55.393 56.287 -0.253 0.000 0.892 429 K CB 1.655 33.801 32.500 -0.590 0.000 1.334 429 K HN 0.369 nan 8.250 nan 0.000 0.507 430 A N 1.400 124.180 122.820 -0.067 0.000 2.331 430 A HA 0.544 4.867 4.320 0.006 0.000 0.320 430 A C -0.784 176.804 177.584 0.006 0.000 1.138 430 A CA -0.767 51.255 52.037 -0.025 0.000 0.790 430 A CB 0.284 19.279 19.000 -0.009 0.000 1.206 430 A HN 0.550 nan 8.150 nan 0.000 0.470 431 I N 3.388 123.957 120.570 -0.002 0.000 2.483 431 I HA -0.032 4.141 4.170 0.006 0.000 0.291 431 I C 1.551 177.668 176.117 -0.000 0.000 1.112 431 I CA 0.640 61.943 61.300 0.005 0.000 1.350 431 I CB -0.036 37.957 38.000 -0.011 0.000 1.419 431 I HN 0.894 nan 8.210 nan 0.000 0.523 432 Q N 5.753 125.559 119.800 0.010 0.000 2.002 432 Q HA -0.081 4.263 4.340 0.006 0.000 0.204 432 Q C 0.244 176.225 176.000 -0.031 0.000 0.988 432 Q CA 1.589 57.391 55.803 -0.002 0.000 0.843 432 Q CB 0.350 29.093 28.738 0.007 0.000 0.908 432 Q HN 0.582 nan 8.270 nan 0.000 0.420 433 R N -1.057 119.403 120.500 -0.065 0.000 2.668 433 R HA 0.467 4.811 4.340 0.006 0.000 0.272 433 R C -1.571 174.662 176.300 -0.113 0.000 1.019 433 R CA -0.520 55.528 56.100 -0.086 0.000 0.894 433 R CB 2.270 32.507 30.300 -0.106 0.000 1.228 433 R HN -0.121 nan 8.270 nan 0.000 0.460 434 V N 2.809 122.672 119.914 -0.085 0.000 2.417 434 V HA 0.520 4.644 4.120 0.006 0.000 0.291 434 V C -0.127 175.923 176.094 -0.073 0.000 1.024 434 V CA -0.656 61.597 62.300 -0.078 0.000 0.861 434 V CB 1.585 33.378 31.823 -0.050 0.000 0.985 434 V HN 0.598 nan 8.190 nan 0.000 0.436 435 V N 3.444 123.314 119.914 -0.073 0.000 2.962 435 V HA 0.678 4.801 4.120 0.006 0.000 0.313 435 V C -0.664 175.444 176.094 0.023 0.000 1.099 435 V CA -1.027 61.257 62.300 -0.027 0.000 0.971 435 V CB 2.066 33.865 31.823 -0.040 0.000 1.028 435 V HN 0.631 nan 8.190 nan 0.000 0.430 436 L N 3.895 125.148 121.223 0.050 0.000 2.349 436 L HA 0.461 4.804 4.340 0.006 0.000 0.275 436 L C 0.278 177.221 176.870 0.121 0.000 1.115 436 L CA -0.480 54.405 54.840 0.074 0.000 0.820 436 L CB 1.302 43.403 42.059 0.070 0.000 1.135 436 L HN 0.560 nan 8.230 nan 0.000 0.445 437 M N 4.721 124.415 119.600 0.156 0.000 3.422 437 M HA 0.185 4.669 4.480 0.006 0.000 0.248 437 M C -0.071 176.311 176.300 0.137 0.000 1.433 437 M CA 0.034 55.443 55.300 0.182 0.000 1.592 437 M CB 0.192 32.972 32.600 0.299 0.000 1.078 437 M HN 0.535 nan 8.290 nan 0.000 0.578 438 M N 1.424 121.101 119.600 0.129 0.000 3.763 438 M HA 0.157 4.640 4.480 0.006 0.000 0.183 438 M C 1.347 177.681 176.300 0.058 0.000 1.544 438 M CA 0.312 55.689 55.300 0.128 0.000 1.722 438 M CB -1.803 30.911 32.600 0.189 0.000 1.155 438 M HN 0.868 nan 8.290 nan 0.000 0.528 439 G N 2.002 110.805 108.800 0.005 0.000 4.766 439 G HA2 -0.375 3.589 3.960 0.006 0.000 0.314 439 G HA3 -0.375 3.589 3.960 0.006 0.000 0.314 439 G C 1.095 175.865 174.900 -0.217 0.000 1.427 439 G CA 0.639 45.683 45.100 -0.092 0.000 1.024 439 G HN 0.523 nan 8.290 nan 0.000 0.754 440 R N -0.017 120.205 120.500 -0.463 0.000 2.335 440 R HA 0.470 4.813 4.340 0.006 0.000 0.210 440 R C -0.102 175.736 176.300 -0.769 0.000 0.892 440 R CA 0.099 55.773 56.100 -0.709 0.000 1.048 440 R CB 0.200 29.913 30.300 -0.978 0.000 1.067 440 R HN 0.322 nan 8.270 nan 0.000 0.524 441 F N 0.245 120.209 119.950 0.023 0.000 2.561 441 F HA 0.394 4.925 4.527 0.006 0.000 0.321 441 F C 0.069 175.908 175.800 0.065 0.000 1.065 441 F CA -1.497 56.524 58.000 0.036 0.000 0.934 441 F CB 1.412 40.429 39.000 0.028 0.000 1.215 441 F HN -0.310 nan 8.300 nan 0.000 0.471 442 V N -0.945 119.131 119.914 0.270 0.000 2.732 442 V HA 0.867 4.990 4.120 0.006 0.000 0.310 442 V C -1.091 175.098 176.094 0.159 0.000 1.053 442 V CA -0.624 61.798 62.300 0.204 0.000 0.957 442 V CB 1.800 33.764 31.823 0.235 0.000 1.018 442 V HN 0.750 nan 8.190 nan 0.000 0.452 443 E N 3.488 123.756 120.200 0.113 0.000 2.283 443 E HA 0.589 4.942 4.350 0.006 0.000 0.258 443 E C -2.963 173.662 176.600 0.042 0.000 0.893 443 E CA -2.201 54.244 56.400 0.076 0.000 0.798 443 E CB 2.214 31.961 29.700 0.079 0.000 1.242 443 E HN 0.650 nan 8.360 nan 0.000 0.414 444 P HA 0.117 nan 4.420 nan 0.000 0.266 444 P C -0.818 176.481 177.300 -0.002 0.000 1.195 444 P CA -0.055 63.045 63.100 -0.000 0.000 0.768 444 P CB 0.437 32.136 31.700 -0.003 0.000 0.838 445 I N 1.610 122.172 120.570 -0.013 0.000 2.752 445 I HA 0.244 4.417 4.170 0.006 0.000 0.295 445 I C 0.627 176.732 176.117 -0.021 0.000 1.219 445 I CA -0.480 60.812 61.300 -0.014 0.000 1.030 445 I CB 1.694 39.686 38.000 -0.013 0.000 1.259 445 I HN 0.241 nan 8.210 nan 0.000 0.423 446 D N 3.807 124.195 120.400 -0.020 0.000 2.106 446 D HA -0.123 4.520 4.640 0.006 0.000 0.194 446 D C 0.018 176.304 176.300 -0.024 0.000 0.988 446 D CA 1.942 55.930 54.000 -0.021 0.000 0.845 446 D CB 0.021 40.810 40.800 -0.018 0.000 0.990 446 D HN 0.791 nan 8.370 nan 0.000 0.448 447 D N -1.162 119.223 120.400 -0.025 0.000 2.689 447 D HA 0.371 5.014 4.640 0.006 0.000 0.255 447 D C -0.720 175.562 176.300 -0.031 0.000 1.113 447 D CA -0.690 53.294 54.000 -0.027 0.000 1.115 447 D CB 2.022 42.808 40.800 -0.024 0.000 1.334 447 D HN 0.219 nan 8.370 nan 0.000 0.621 448 C N 1.128 120.408 119.300 -0.034 0.000 3.029 448 C HA 0.359 4.823 4.460 0.006 0.000 0.396 448 C C -2.900 172.065 174.990 -0.042 0.000 1.072 448 C CA -0.794 58.199 59.018 -0.041 0.000 1.269 448 C CB 0.875 28.586 27.740 -0.047 0.000 1.684 448 C HN 0.470 nan 8.230 nan 0.000 0.510 449 P HA 0.326 nan 4.420 nan 0.000 0.274 449 P C -0.024 177.247 177.300 -0.049 0.000 1.231 449 P CA 0.280 63.357 63.100 -0.038 0.000 0.790 449 P CB 0.832 32.511 31.700 -0.035 0.000 0.951 450 A N 1.456 124.252 122.820 -0.040 0.000 2.587 450 A HA 0.354 4.677 4.320 0.006 0.000 0.233 450 A C 1.469 179.011 177.584 -0.071 0.000 1.049 450 A CA 1.086 53.093 52.037 -0.050 0.000 0.754 450 A CB -1.522 17.470 19.000 -0.015 0.000 0.977 450 A HN 0.915 nan 8.150 nan 0.000 0.509 451 G N 1.719 110.445 108.800 -0.124 0.000 2.231 451 G HA2 -0.181 3.783 3.960 0.006 0.000 0.206 451 G HA3 -0.181 3.783 3.960 0.006 0.000 0.206 451 G C -0.061 174.751 174.900 -0.147 0.000 0.996 451 G CA 0.229 45.251 45.100 -0.130 0.000 0.645 451 G HN 0.949 nan 8.290 nan 0.000 0.498 452 N N -0.222 118.389 118.700 -0.148 0.000 2.404 452 N HA 0.729 5.472 4.740 0.006 0.000 0.297 452 N C -0.681 174.720 175.510 -0.182 0.000 1.163 452 N CA -0.599 52.373 53.050 -0.131 0.000 0.864 452 N CB 1.394 39.829 38.487 -0.086 0.000 1.247 452 N HN 0.067 nan 8.380 nan 0.000 0.510 453 I N 1.601 122.076 120.570 -0.159 0.000 2.342 453 I HA 0.378 4.552 4.170 0.006 0.000 0.291 453 I C -0.415 175.584 176.117 -0.198 0.000 1.010 453 I CA -0.174 60.980 61.300 -0.244 0.000 1.308 453 I CB 0.400 38.299 38.000 -0.169 0.000 1.400 453 I HN 0.452 nan 8.210 nan 0.000 0.488 454 I N 4.709 125.119 120.570 -0.266 0.000 3.279 454 I HA 0.833 5.007 4.170 0.006 0.000 0.315 454 I C -0.400 175.637 176.117 -0.133 0.000 1.187 454 I CA -0.461 60.755 61.300 -0.140 0.000 0.953 454 I CB 2.397 40.337 38.000 -0.100 0.000 1.279 454 I HN 0.480 nan 8.210 nan 0.000 0.465 455 G N 3.918 112.707 108.800 -0.018 0.000 2.513 455 G HA2 0.665 4.629 3.960 0.006 0.000 0.317 455 G HA3 0.665 4.629 3.960 0.006 0.000 0.317 455 G C -1.673 173.212 174.900 -0.025 0.000 1.277 455 G CA -0.558 44.569 45.100 0.045 0.000 0.955 455 G HN 0.571 nan 8.290 nan 0.000 0.484 456 L N 1.269 122.482 121.223 -0.017 0.000 2.331 456 L HA 0.645 4.989 4.340 0.006 0.000 0.275 456 L C -0.444 176.337 176.870 -0.149 0.000 1.022 456 L CA -1.257 53.543 54.840 -0.067 0.000 0.812 456 L CB 2.228 44.280 42.059 -0.013 0.000 1.257 456 L HN 0.157 nan 8.230 nan 0.000 0.435 457 V N 0.968 120.751 119.914 -0.219 0.000 2.378 457 V HA 0.679 4.803 4.120 0.006 0.000 0.288 457 V C 0.563 176.625 176.094 -0.054 0.000 1.016 457 V CA -0.104 62.020 62.300 -0.293 0.000 0.840 457 V CB 1.072 32.607 31.823 -0.481 0.000 0.994 457 V HN 1.046 nan 8.190 nan 0.000 0.431 458 G N 4.109 112.941 108.800 0.053 0.000 2.237 458 G HA2 -0.133 3.830 3.960 0.006 0.000 0.153 458 G HA3 -0.133 3.830 3.960 0.006 0.000 0.153 458 G C 0.033 175.034 174.900 0.169 0.000 1.039 458 G CA 0.113 45.270 45.100 0.094 0.000 0.719 458 G HN 0.639 nan 8.290 nan 0.000 0.491 459 I N 0.074 120.726 120.570 0.136 0.000 4.624 459 I HA 0.091 4.265 4.170 0.006 0.000 0.327 459 I C 2.146 178.248 176.117 -0.026 0.000 1.295 459 I CA 0.634 62.064 61.300 0.218 0.000 1.267 459 I CB 0.195 38.310 38.000 0.191 0.000 1.249 459 I HN 0.192 nan 8.210 nan 0.000 0.440 460 D N 1.768 122.148 120.400 -0.034 0.000 2.286 460 D HA -0.333 4.311 4.640 0.006 0.000 0.195 460 D C 1.708 177.838 176.300 -0.282 0.000 1.012 460 D CA 1.607 55.550 54.000 -0.095 0.000 0.901 460 D CB -0.520 40.297 40.800 0.028 0.000 0.903 460 D HN 0.494 nan 8.370 nan 0.000 0.451 461 Q N -0.788 118.687 119.800 -0.541 0.000 2.246 461 Q HA 0.100 4.444 4.340 0.006 0.000 0.202 461 Q C 0.319 175.753 176.000 -0.943 0.000 0.883 461 Q CA 0.069 55.446 55.803 -0.710 0.000 0.952 461 Q CB -0.073 28.208 28.738 -0.761 0.000 1.078 461 Q HN 0.385 nan 8.270 nan 0.000 0.493 462 F N -0.038 119.699 119.950 -0.355 0.000 2.699 462 F HA 0.380 4.911 4.527 0.006 0.000 0.295 462 F C 0.580 176.157 175.800 -0.372 0.000 1.052 462 F CA -0.266 57.353 58.000 -0.636 0.000 1.239 462 F CB 0.763 39.481 39.000 -0.470 0.000 1.018 462 F HN -0.118 nan 8.300 nan 0.000 0.627 463 L N 1.058 122.261 121.223 -0.034 0.000 2.325 463 L HA 0.307 4.651 4.340 0.006 0.000 0.281 463 L C 0.796 177.619 176.870 -0.078 0.000 1.004 463 L CA -0.545 54.292 54.840 -0.005 0.000 0.823 463 L CB 2.294 44.374 42.059 0.035 0.000 1.236 463 L HN 0.042 nan 8.230 nan 0.000 0.415 464 L N 3.920 125.102 121.223 -0.068 0.000 1.988 464 L HA -0.101 4.243 4.340 0.006 0.000 0.207 464 L C 1.700 178.466 176.870 -0.174 0.000 1.071 464 L CA 2.138 56.901 54.840 -0.128 0.000 0.744 464 L CB -0.122 41.892 42.059 -0.076 0.000 0.893 464 L HN 0.668 nan 8.230 nan 0.000 0.433 465 K N -3.207 117.113 120.400 -0.133 0.000 2.890 465 K HA 0.238 4.562 4.320 0.006 0.000 0.202 465 K C 0.146 176.694 176.600 -0.087 0.000 1.592 465 K CA 0.377 56.540 56.287 -0.206 0.000 1.197 465 K CB 0.825 33.025 32.500 -0.501 0.000 1.913 465 K HN 0.112 nan 8.250 nan 0.000 0.550 466 T N 0.255 114.817 114.554 0.014 0.000 2.950 466 T HA 0.703 5.057 4.350 0.006 0.000 0.288 466 T C -0.252 174.452 174.700 0.006 0.000 1.035 466 T CA -0.362 61.766 62.100 0.047 0.000 1.028 466 T CB 1.920 70.923 68.868 0.226 0.000 1.109 466 T HN 0.440 nan 8.240 nan 0.000 0.514 467 G N 0.152 108.891 108.800 -0.103 0.000 2.316 467 G HA2 0.474 4.437 3.960 0.006 0.000 0.296 467 G HA3 0.474 4.437 3.960 0.006 0.000 0.296 467 G C -1.495 173.332 174.900 -0.121 0.000 1.399 467 G CA -0.730 44.342 45.100 -0.048 0.000 0.833 467 G HN 0.717 nan 8.290 nan 0.000 0.565 468 T N 0.285 114.837 114.554 -0.002 0.000 2.841 468 T HA 0.640 4.993 4.350 0.006 0.000 0.283 468 T C -0.902 173.823 174.700 0.042 0.000 1.000 468 T CA -0.392 61.737 62.100 0.049 0.000 0.977 468 T CB 1.635 70.592 68.868 0.148 0.000 0.979 468 T HN 0.394 nan 8.240 nan 0.000 0.446 469 L N 3.605 124.861 121.223 0.055 0.000 2.313 469 L HA 0.724 5.067 4.340 0.006 0.000 0.283 469 L C 0.749 177.649 176.870 0.050 0.000 1.013 469 L CA -0.071 54.786 54.840 0.030 0.000 0.816 469 L CB 1.650 43.722 42.059 0.022 0.000 1.236 469 L HN 0.979 nan 8.230 nan 0.000 0.419 470 T N -1.894 112.674 114.554 0.023 0.000 2.669 470 T HA 0.634 4.988 4.350 0.006 0.000 0.283 470 T C 0.253 174.960 174.700 0.012 0.000 1.019 470 T CA -0.057 62.067 62.100 0.040 0.000 1.039 470 T CB 1.827 70.739 68.868 0.074 0.000 1.374 470 T HN 0.331 nan 8.240 nan 0.000 0.523 471 T N 0.061 114.629 114.554 0.022 0.000 3.098 471 T HA 0.346 4.699 4.350 0.006 0.000 0.256 471 T C 0.722 175.433 174.700 0.019 0.000 0.921 471 T CA 0.218 62.324 62.100 0.009 0.000 0.916 471 T CB 0.210 69.083 68.868 0.008 0.000 1.246 471 T HN 0.731 nan 8.240 nan 0.000 0.511 472 S N 1.929 117.652 115.700 0.038 0.000 2.510 472 S HA 0.086 4.560 4.470 0.006 0.000 0.279 472 S C 1.013 175.648 174.600 0.059 0.000 1.284 472 S CA -0.216 58.012 58.200 0.048 0.000 1.059 472 S CB 0.592 63.831 63.200 0.064 0.000 0.901 472 S HN 0.339 nan 8.310 nan 0.000 0.491 473 E N 2.420 122.649 120.200 0.047 0.000 2.478 473 E HA -0.048 4.306 4.350 0.006 0.000 0.198 473 E C 0.821 177.464 176.600 0.072 0.000 1.046 473 E CA 0.904 57.336 56.400 0.054 0.000 0.870 473 E CB -0.021 29.699 29.700 0.033 0.000 0.818 473 E HN 0.811 nan 8.360 nan 0.000 0.527 474 T N -1.695 112.903 114.554 0.073 0.000 3.308 474 T HA 0.560 4.913 4.350 0.006 0.000 0.270 474 T C -0.005 174.772 174.700 0.129 0.000 0.992 474 T CA -0.602 61.538 62.100 0.067 0.000 0.931 474 T CB 0.667 69.576 68.868 0.067 0.000 1.142 474 T HN 0.045 nan 8.240 nan 0.000 0.525 475 A N 1.346 124.264 122.820 0.163 0.000 2.271 475 A HA 0.687 5.010 4.320 0.006 0.000 0.317 475 A C -0.356 177.396 177.584 0.280 0.000 1.245 475 A CA -0.673 51.538 52.037 0.290 0.000 0.857 475 A CB 0.309 19.457 19.000 0.245 0.000 1.175 475 A HN 0.633 nan 8.150 nan 0.000 0.512 476 H N 1.271 120.481 119.070 0.233 0.000 2.581 476 H HA 0.243 4.802 4.556 0.006 0.000 0.369 476 H C 0.609 175.986 175.328 0.082 0.000 1.351 476 H CA 0.146 56.204 56.048 0.018 0.000 1.434 476 H CB 0.481 30.054 29.762 -0.315 0.000 1.558 476 H HN 0.679 nan 8.280 nan 0.000 0.608 477 N N 0.296 119.104 118.700 0.180 0.000 2.408 477 N HA 0.176 4.919 4.740 0.006 0.000 0.260 477 N C -0.324 175.255 175.510 0.115 0.000 1.242 477 N CA -0.116 53.047 53.050 0.188 0.000 0.959 477 N CB 0.700 39.298 38.487 0.186 0.000 1.201 477 N HN 0.400 nan 8.380 nan 0.000 0.511 478 M N 0.535 120.267 119.600 0.221 0.000 2.363 478 M HA 0.230 4.713 4.480 0.006 0.000 0.343 478 M C 0.344 176.777 176.300 0.220 0.000 1.165 478 M CA -0.610 54.817 55.300 0.211 0.000 1.046 478 M CB 1.269 34.066 32.600 0.329 0.000 1.648 478 M HN 0.188 nan 8.290 nan 0.000 0.452 479 K N 2.463 122.911 120.400 0.081 0.000 2.302 479 K HA -0.085 4.238 4.320 0.006 0.000 0.243 479 K C -0.406 176.321 176.600 0.211 0.000 1.286 479 K CA -0.023 56.310 56.287 0.077 0.000 1.265 479 K CB -0.752 31.744 32.500 -0.007 0.000 0.722 479 K HN 0.554 nan 8.250 nan 0.000 0.532 480 V N 1.826 121.848 119.914 0.180 0.000 2.811 480 V HA 0.248 4.371 4.120 0.006 0.000 0.302 480 V C 0.312 176.496 176.094 0.149 0.000 1.063 480 V CA -0.513 61.907 62.300 0.201 0.000 1.088 480 V CB 1.051 32.958 31.823 0.140 0.000 0.982 480 V HN 0.495 nan 8.190 nan 0.000 0.485 481 M N 3.902 123.597 119.600 0.159 0.000 2.066 481 M HA 0.456 4.939 4.480 0.006 0.000 0.340 481 M C -0.196 176.036 176.300 -0.113 0.000 1.053 481 M CA -0.422 54.879 55.300 0.001 0.000 0.983 481 M CB 1.362 33.979 32.600 0.029 0.000 1.520 481 M HN 0.645 nan 8.290 nan 0.000 0.428 482 K N 2.925 123.231 120.400 -0.157 0.000 2.447 482 K HA 0.351 4.674 4.320 0.006 0.000 0.281 482 K C -1.219 175.217 176.600 -0.274 0.000 1.031 482 K CA 0.603 56.824 56.287 -0.110 0.000 1.019 482 K CB 0.410 32.871 32.500 -0.065 0.000 0.918 482 K HN 0.350 nan 8.250 nan 0.000 0.476 483 F N -0.046 119.936 119.950 0.054 0.000 2.626 483 F HA 0.370 4.901 4.527 0.006 0.000 0.311 483 F C 0.018 175.848 175.800 0.050 0.000 1.088 483 F CA -0.731 57.290 58.000 0.036 0.000 0.949 483 F CB 2.444 41.457 39.000 0.022 0.000 1.322 483 F HN 0.353 nan 8.300 nan 0.000 0.461 484 S N 0.447 116.310 115.700 0.273 0.000 2.536 484 S HA 0.445 4.919 4.470 0.006 0.000 0.271 484 S C -0.866 173.789 174.600 0.092 0.000 1.134 484 S CA -0.405 57.904 58.200 0.180 0.000 0.897 484 S CB 1.793 65.132 63.200 0.231 0.000 1.094 484 S HN 0.571 nan 8.310 nan 0.000 0.473 485 V N 4.050 123.989 119.914 0.041 0.000 3.331 485 V HA 0.350 4.474 4.120 0.006 0.000 0.332 485 V C 0.011 176.079 176.094 -0.044 0.000 1.341 485 V CA 0.287 62.579 62.300 -0.013 0.000 1.218 485 V CB -0.182 31.623 31.823 -0.029 0.000 1.152 485 V HN 0.796 nan 8.190 nan 0.000 0.445 486 S N 3.641 119.282 115.700 -0.099 0.000 2.411 486 S HA 0.336 4.809 4.470 0.006 0.000 0.304 486 S C -2.450 172.025 174.600 -0.207 0.000 1.098 486 S CA -0.701 57.342 58.200 -0.262 0.000 1.068 486 S CB 0.863 63.605 63.200 -0.763 0.000 1.032 486 S HN 0.384 nan 8.310 nan 0.000 0.511 487 P HA 0.027 nan 4.420 nan 0.000 0.258 487 P C 0.678 177.959 177.300 -0.032 0.000 1.214 487 P CA 0.029 63.129 63.100 -0.000 0.000 0.872 487 P CB 0.209 31.936 31.700 0.045 0.000 0.890 488 V N 1.875 121.761 119.914 -0.048 0.000 3.556 488 V HA 0.225 4.349 4.120 0.006 0.000 0.287 488 V C 0.269 176.357 176.094 -0.009 0.000 1.422 488 V CA 0.146 62.385 62.300 -0.101 0.000 1.038 488 V CB 0.282 31.930 31.823 -0.291 0.000 0.850 488 V HN 0.083 nan 8.190 nan 0.000 0.437 489 V N 2.715 122.674 119.914 0.075 0.000 2.638 489 V HA 0.728 4.852 4.120 0.006 0.000 0.306 489 V C -0.762 175.414 176.094 0.136 0.000 1.052 489 V CA -0.410 61.980 62.300 0.151 0.000 0.885 489 V CB 1.435 33.382 31.823 0.207 0.000 0.999 489 V HN 0.726 nan 8.190 nan 0.000 0.424 490 Q N 3.234 123.112 119.800 0.130 0.000 2.534 490 Q HA 0.916 5.259 4.340 0.006 0.000 0.290 490 Q C -1.518 174.518 176.000 0.060 0.000 0.991 490 Q CA -0.993 54.863 55.803 0.088 0.000 0.783 490 Q CB 2.934 31.735 28.738 0.103 0.000 1.470 490 Q HN 0.876 nan 8.270 nan 0.000 0.406 491 V N -3.468 116.456 119.914 0.017 0.000 3.181 491 V HA 0.980 5.104 4.120 0.006 0.000 0.308 491 V C -1.146 174.933 176.094 -0.025 0.000 1.214 491 V CA -0.650 61.650 62.300 0.001 0.000 1.053 491 V CB 1.570 33.389 31.823 -0.008 0.000 1.069 491 V HN 1.073 nan 8.190 nan 0.000 0.441 492 A N 1.533 124.345 122.820 -0.014 0.000 2.271 492 A HA 0.828 5.151 4.320 0.006 0.000 0.317 492 A C -0.514 177.066 177.584 -0.007 0.000 1.245 492 A CA -0.616 51.411 52.037 -0.016 0.000 0.857 492 A CB 1.027 20.030 19.000 0.005 0.000 1.175 492 A HN 1.304 nan 8.150 nan 0.000 0.512 493 V N 2.617 122.533 119.914 0.003 0.000 2.427 493 V HA 0.503 4.627 4.120 0.006 0.000 0.286 493 V C 0.158 176.274 176.094 0.036 0.000 1.034 493 V CA -0.316 61.986 62.300 0.003 0.000 0.893 493 V CB 1.329 33.139 31.823 -0.022 0.000 0.982 493 V HN 1.006 nan 8.190 nan 0.000 0.452 494 E N 2.007 122.216 120.200 0.016 0.000 2.340 494 E HA 0.624 4.977 4.350 0.006 0.000 0.273 494 E C -1.144 175.456 176.600 -0.000 0.000 0.891 494 E CA -0.766 55.651 56.400 0.028 0.000 0.757 494 E CB 2.564 32.279 29.700 0.024 0.000 1.231 494 E HN 0.607 nan 8.360 nan 0.000 0.439 495 V N 1.072 120.986 119.914 -0.000 0.000 2.649 495 V HA 0.298 4.422 4.120 0.006 0.000 0.292 495 V C 0.911 177.001 176.094 -0.008 0.000 1.055 495 V CA -0.304 61.987 62.300 -0.015 0.000 1.023 495 V CB 1.477 33.289 31.823 -0.018 0.000 0.992 495 V HN 0.761 nan 8.190 nan 0.000 0.480 496 K N 1.985 122.378 120.400 -0.012 0.000 2.167 496 K HA 0.070 4.394 4.320 0.006 0.000 0.203 496 K C 0.186 176.783 176.600 -0.005 0.000 1.052 496 K CA 1.220 57.502 56.287 -0.008 0.000 0.956 496 K CB 0.012 32.506 32.500 -0.010 0.000 0.735 496 K HN 0.811 nan 8.250 nan 0.000 0.451 497 N N -0.441 118.255 118.700 -0.006 0.000 2.573 497 N HA 0.173 4.916 4.740 0.006 0.000 0.262 497 N C -0.171 175.336 175.510 -0.004 0.000 1.029 497 N CA -0.239 52.808 53.050 -0.004 0.000 0.882 497 N CB 1.773 40.257 38.487 -0.004 0.000 1.204 497 N HN -0.022 nan 8.380 nan 0.000 0.519 498 A N 2.098 124.919 122.820 0.000 0.000 2.171 498 A HA -0.316 4.007 4.320 0.006 0.000 0.223 498 A C 2.052 179.636 177.584 0.001 0.000 1.166 498 A CA 1.845 53.883 52.037 0.003 0.000 0.668 498 A CB -0.580 18.423 19.000 0.006 0.000 0.807 498 A HN 0.844 nan 8.150 nan 0.000 0.475 499 N N 0.046 118.745 118.700 -0.002 0.000 2.188 499 N HA -0.147 4.596 4.740 0.006 0.000 0.184 499 N C 0.373 175.879 175.510 -0.007 0.000 1.018 499 N CA 1.521 54.569 53.050 -0.003 0.000 0.858 499 N CB -0.665 37.820 38.487 -0.003 0.000 0.989 499 N HN 0.492 nan 8.380 nan 0.000 0.426 500 D N 1.049 121.442 120.400 -0.011 0.000 2.349 500 D HA 0.005 4.649 4.640 0.006 0.000 0.224 500 D C 1.849 178.134 176.300 -0.025 0.000 1.029 500 D CA -0.184 53.806 54.000 -0.017 0.000 0.879 500 D CB 0.162 40.950 40.800 -0.020 0.000 0.906 500 D HN 0.288 nan 8.370 nan 0.000 0.528 501 L N 1.394 122.605 121.223 -0.019 0.000 2.064 501 L HA -0.184 4.159 4.340 0.006 0.000 0.216 501 L C -0.834 176.010 176.870 -0.043 0.000 1.077 501 L CA 1.957 56.781 54.840 -0.026 0.000 0.766 501 L CB -0.939 41.121 42.059 0.002 0.000 0.890 501 L HN -0.001 nan 8.230 nan 0.000 0.435 502 P HA -0.121 nan 4.420 nan 0.000 0.223 502 P C 0.941 178.218 177.300 -0.038 0.000 1.151 502 P CA 1.328 64.412 63.100 -0.028 0.000 0.787 502 P CB 0.042 31.735 31.700 -0.013 0.000 0.788 503 K N -1.121 119.256 120.400 -0.039 0.000 2.296 503 K HA -0.000 4.323 4.320 0.006 0.000 0.200 503 K C 1.710 178.278 176.600 -0.053 0.000 1.048 503 K CA 0.540 56.806 56.287 -0.036 0.000 0.966 503 K CB -0.397 32.086 32.500 -0.027 0.000 0.754 503 K HN 0.101 nan 8.250 nan 0.000 0.466 504 L N 0.286 121.458 121.223 -0.086 0.000 2.162 504 L HA -0.020 4.323 4.340 0.006 0.000 0.205 504 L C 1.742 178.504 176.870 -0.180 0.000 1.086 504 L CA 1.244 56.005 54.840 -0.131 0.000 0.778 504 L CB -0.062 41.894 42.059 -0.173 0.000 0.928 504 L HN -0.179 nan 8.230 nan 0.000 0.446 505 V N 0.051 119.852 119.914 -0.188 0.000 2.720 505 V HA -0.195 3.929 4.120 0.006 0.000 0.256 505 V C 2.556 178.602 176.094 -0.080 0.000 1.082 505 V CA 1.706 63.904 62.300 -0.169 0.000 1.101 505 V CB -0.613 31.155 31.823 -0.091 0.000 0.693 505 V HN 0.515 nan 8.190 nan 0.000 0.479 506 E N 0.766 120.933 120.200 -0.056 0.000 2.099 506 E HA 0.053 4.406 4.350 0.006 0.000 0.191 506 E C 2.267 178.865 176.600 -0.003 0.000 0.962 506 E CA 1.165 57.552 56.400 -0.021 0.000 0.826 506 E CB -0.646 29.046 29.700 -0.013 0.000 0.788 506 E HN 0.361 nan 8.360 nan 0.000 0.461 507 G N 1.278 110.077 108.800 -0.002 0.000 2.440 507 G HA2 -0.248 3.715 3.960 0.006 0.000 0.218 507 G HA3 -0.248 3.715 3.960 0.006 0.000 0.218 507 G C 1.597 176.500 174.900 0.005 0.000 1.154 507 G CA 1.029 46.161 45.100 0.053 0.000 0.767 507 G HN 0.290 nan 8.290 nan 0.000 0.552 508 L N 0.202 121.392 121.223 -0.055 0.000 2.042 508 L HA -0.106 4.237 4.340 0.006 0.000 0.210 508 L C 2.838 179.685 176.870 -0.039 0.000 1.076 508 L CA 1.731 56.527 54.840 -0.075 0.000 0.749 508 L CB -0.328 41.677 42.059 -0.090 0.000 0.893 508 L HN 0.254 nan 8.230 nan 0.000 0.432 509 K N 0.316 120.708 120.400 -0.014 0.000 2.097 509 K HA -0.178 4.145 4.320 0.006 0.000 0.206 509 K C 2.281 178.896 176.600 0.025 0.000 1.049 509 K CA 1.201 57.494 56.287 0.009 0.000 0.933 509 K CB 0.068 32.576 32.500 0.012 0.000 0.717 509 K HN 0.231 nan 8.250 nan 0.000 0.442 510 R N 0.376 120.907 120.500 0.050 0.000 2.066 510 R HA -0.124 4.220 4.340 0.006 0.000 0.232 510 R C 2.405 178.775 176.300 0.117 0.000 1.131 510 R CA 1.189 57.367 56.100 0.131 0.000 0.955 510 R CB -0.542 29.903 30.300 0.241 0.000 0.851 510 R HN 0.153 nan 8.270 nan 0.000 0.432 511 L N 1.116 122.274 121.223 -0.107 0.000 1.963 511 L HA -0.231 4.112 4.340 0.006 0.000 0.220 511 L C 1.968 178.772 176.870 -0.111 0.000 1.076 511 L CA 2.013 56.601 54.840 -0.420 0.000 0.772 511 L CB -0.866 40.916 42.059 -0.461 0.000 0.892 511 L HN 0.047 nan 8.230 nan 0.000 0.435 512 S N -0.547 115.126 115.700 -0.045 0.000 2.423 512 S HA -0.240 4.234 4.470 0.006 0.000 0.238 512 S C 1.978 176.630 174.600 0.087 0.000 1.028 512 S CA 1.446 59.660 58.200 0.022 0.000 1.000 512 S CB -0.447 62.769 63.200 0.027 0.000 0.797 512 S HN 0.414 nan 8.310 nan 0.000 0.487 513 K N 1.333 121.787 120.400 0.090 0.000 2.217 513 K HA -0.022 4.301 4.320 0.006 0.000 0.202 513 K C 2.181 178.886 176.600 0.176 0.000 1.051 513 K CA 1.347 57.712 56.287 0.131 0.000 0.952 513 K CB -0.167 32.370 32.500 0.062 0.000 0.736 513 K HN 0.524 nan 8.250 nan 0.000 0.453 514 S N -0.490 115.304 115.700 0.156 0.000 2.458 514 S HA -0.009 4.465 4.470 0.006 0.000 0.223 514 S C 0.535 175.315 174.600 0.300 0.000 1.019 514 S CA -0.029 58.258 58.200 0.144 0.000 0.937 514 S CB 0.239 63.544 63.200 0.175 0.000 0.788 514 S HN 0.152 nan 8.310 nan 0.000 0.511 515 D N 1.292 121.853 120.400 0.268 0.000 2.505 515 D HA 0.431 5.075 4.640 0.006 0.000 0.249 515 D C -2.431 173.905 176.300 0.059 0.000 1.082 515 D CA -2.223 51.897 54.000 0.200 0.000 0.839 515 D CB 2.372 43.262 40.800 0.150 0.000 1.317 515 D HN -0.124 nan 8.370 nan 0.000 0.497 516 P HA 0.072 nan 4.420 nan 0.000 0.222 516 P C 0.832 178.033 177.300 -0.165 0.000 1.153 516 P CA 0.557 63.448 63.100 -0.347 0.000 0.798 516 P CB 0.369 31.750 31.700 -0.531 0.000 0.796 517 C N -1.377 117.868 119.300 -0.090 0.000 2.855 517 C HA 0.366 4.829 4.460 0.006 0.000 0.279 517 C C 1.022 176.086 174.990 0.124 0.000 1.270 517 C CA -0.424 58.572 59.018 -0.036 0.000 1.702 517 C CB -0.961 26.695 27.740 -0.140 0.000 1.949 517 C HN 0.052 nan 8.230 nan 0.000 0.618 518 V N 1.576 121.572 119.914 0.138 0.000 2.834 518 V HA 0.756 4.880 4.120 0.006 0.000 0.313 518 V C -1.000 175.144 176.094 0.083 0.000 1.060 518 V CA -0.417 61.974 62.300 0.152 0.000 0.989 518 V CB 1.859 33.727 31.823 0.075 0.000 1.041 518 V HN 0.242 nan 8.190 nan 0.000 0.459 519 L N 4.609 125.885 121.223 0.088 0.000 2.464 519 L HA 0.772 5.116 4.340 0.006 0.000 0.266 519 L C -0.412 176.530 176.870 0.121 0.000 0.965 519 L CA 0.139 55.047 54.840 0.114 0.000 0.833 519 L CB 2.283 44.433 42.059 0.153 0.000 1.296 519 L HN 0.889 nan 8.230 nan 0.000 0.405 520 T N 1.688 116.311 114.554 0.114 0.000 2.841 520 T HA 0.799 5.153 4.350 0.006 0.000 0.285 520 T C -0.737 174.051 174.700 0.147 0.000 0.991 520 T CA -0.461 61.669 62.100 0.051 0.000 0.966 520 T CB 1.227 70.104 68.868 0.014 0.000 0.962 520 T HN 0.639 nan 8.240 nan 0.000 0.438 521 Y N 0.316 120.637 120.300 0.034 0.000 2.744 521 Y HA 0.786 5.340 4.550 0.006 0.000 0.330 521 Y C -1.576 174.343 175.900 0.031 0.000 1.263 521 Y CA -1.926 56.189 58.100 0.025 0.000 1.065 521 Y CB 1.546 40.000 38.460 -0.010 0.000 1.306 521 Y HN 0.593 nan 8.280 nan 0.000 0.459 522 M N 2.940 122.647 119.600 0.177 0.000 2.253 522 M HA 0.455 4.938 4.480 0.006 0.000 0.314 522 M C -0.542 175.861 176.300 0.171 0.000 1.019 522 M CA -0.883 54.437 55.300 0.033 0.000 0.932 522 M CB 2.301 34.894 32.600 -0.012 0.000 1.606 522 M HN 0.881 nan 8.290 nan 0.000 0.430 523 S N 1.392 117.139 115.700 0.078 0.000 2.608 523 S HA 0.209 4.682 4.470 0.006 0.000 0.261 523 S C 0.773 175.438 174.600 0.109 0.000 1.314 523 S CA -0.589 57.692 58.200 0.135 0.000 0.992 523 S CB 1.054 64.279 63.200 0.042 0.000 0.935 523 S HN 0.763 nan 8.310 nan 0.000 0.564 524 E N 0.990 121.271 120.200 0.134 0.000 2.085 524 E HA -0.162 4.192 4.350 0.006 0.000 0.194 524 E C 2.197 178.791 176.600 -0.011 0.000 0.994 524 E CA 1.512 57.955 56.400 0.072 0.000 0.801 524 E CB -0.340 29.374 29.700 0.023 0.000 0.743 524 E HN 0.871 nan 8.360 nan 0.000 0.453 525 S N -0.483 115.203 115.700 -0.025 0.000 2.528 525 S HA -0.080 4.394 4.470 0.006 0.000 0.244 525 S C 1.645 176.214 174.600 -0.052 0.000 0.982 525 S CA 0.884 59.059 58.200 -0.041 0.000 0.953 525 S CB -0.222 62.952 63.200 -0.044 0.000 0.754 525 S HN 0.454 nan 8.310 nan 0.000 0.529 526 G N 0.243 109.005 108.800 -0.063 0.000 2.176 526 G HA2 -0.249 3.714 3.960 0.006 0.000 0.253 526 G HA3 -0.249 3.714 3.960 0.006 0.000 0.253 526 G C -0.205 174.558 174.900 -0.229 0.000 0.979 526 G CA 0.181 45.210 45.100 -0.118 0.000 0.641 526 G HN 0.642 nan 8.290 nan 0.000 0.530 527 E N 0.551 120.646 120.200 -0.175 0.000 2.392 527 E HA 0.371 4.724 4.350 0.006 0.000 0.259 527 E C -0.073 176.332 176.600 -0.326 0.000 1.108 527 E CA -0.456 55.825 56.400 -0.199 0.000 0.916 527 E CB 0.455 30.104 29.700 -0.084 0.000 0.989 527 E HN 0.436 nan 8.360 nan 0.000 0.432 528 H N 1.650 120.669 119.070 -0.085 0.000 2.552 528 H HA 0.328 4.887 4.556 0.006 0.000 0.311 528 H C -0.239 174.969 175.328 -0.201 0.000 1.071 528 H CA -0.158 55.813 56.048 -0.128 0.000 1.307 528 H CB 0.409 30.121 29.762 -0.084 0.000 1.416 528 H HN 0.285 nan 8.280 nan 0.000 0.464 529 I N 3.138 123.541 120.570 -0.278 0.000 2.493 529 I HA 0.234 4.408 4.170 0.006 0.000 0.298 529 I C -0.212 175.719 176.117 -0.310 0.000 0.998 529 I CA -1.013 60.041 61.300 -0.410 0.000 1.137 529 I CB 2.190 39.653 38.000 -0.894 0.000 1.310 529 I HN 0.153 nan 8.210 nan 0.000 0.445 530 V N 4.956 124.771 119.914 -0.164 0.000 2.409 530 V HA 0.633 4.757 4.120 0.006 0.000 0.290 530 V C -0.040 176.042 176.094 -0.019 0.000 1.017 530 V CA -0.523 61.730 62.300 -0.079 0.000 0.841 530 V CB 1.304 33.086 31.823 -0.070 0.000 1.003 530 V HN 0.810 nan 8.190 nan 0.000 0.426 531 A N 3.560 126.408 122.820 0.047 0.000 2.330 531 A HA 0.991 5.315 4.320 0.006 0.000 0.327 531 A C 0.222 177.871 177.584 0.107 0.000 1.155 531 A CA -0.024 52.075 52.037 0.103 0.000 0.803 531 A CB 1.640 20.756 19.000 0.193 0.000 1.208 531 A HN 1.068 nan 8.150 nan 0.000 0.477 532 G N -0.471 108.405 108.800 0.127 0.000 2.730 532 G HA2 0.481 4.445 3.960 0.006 0.000 0.289 532 G HA3 0.481 4.445 3.960 0.006 0.000 0.289 532 G C 0.414 175.512 174.900 0.329 0.000 1.341 532 G CA 0.224 45.477 45.100 0.255 0.000 0.932 532 G HN 0.529 nan 8.290 nan 0.000 0.481 533 T N -0.547 114.314 114.554 0.512 0.000 2.962 533 T HA 0.306 4.659 4.350 0.006 0.000 0.270 533 T C 1.015 175.879 174.700 0.273 0.000 1.088 533 T CA 1.374 63.608 62.100 0.224 0.000 1.127 533 T CB -0.198 68.651 68.868 -0.032 0.000 0.883 533 T HN 1.154 nan 8.240 nan 0.000 0.493 534 G N -0.282 108.702 108.800 0.307 0.000 2.495 534 G HA2 0.412 4.375 3.960 0.006 0.000 0.294 534 G HA3 0.412 4.375 3.960 0.006 0.000 0.294 534 G C 0.140 175.140 174.900 0.165 0.000 1.397 534 G CA -0.151 45.076 45.100 0.212 0.000 0.790 534 G HN -0.001 nan 8.290 nan 0.000 0.486 535 E N -0.629 119.631 120.200 0.100 0.000 2.033 535 E HA -0.187 4.167 4.350 0.006 0.000 0.199 535 E C 2.322 178.989 176.600 0.113 0.000 1.011 535 E CA 1.814 58.318 56.400 0.172 0.000 0.815 535 E CB -0.111 29.693 29.700 0.173 0.000 0.755 535 E HN 0.385 nan 8.360 nan 0.000 0.451 536 L N 0.199 121.450 121.223 0.048 0.000 2.093 536 L HA -0.155 4.189 4.340 0.006 0.000 0.208 536 L C 2.646 179.552 176.870 0.060 0.000 1.085 536 L CA 2.098 56.940 54.840 0.002 0.000 0.755 536 L CB -0.422 41.565 42.059 -0.121 0.000 0.904 536 L HN 0.312 nan 8.230 nan 0.000 0.435 537 H N -0.547 118.545 119.070 0.036 0.000 2.421 537 H HA -0.205 4.354 4.556 0.006 0.000 0.298 537 H C 1.833 177.214 175.328 0.089 0.000 1.087 537 H CA 2.220 58.324 56.048 0.094 0.000 1.330 537 H CB -0.072 29.748 29.762 0.096 0.000 1.388 537 H HN 0.405 nan 8.280 nan 0.000 0.526 538 L N 0.173 121.293 121.223 -0.170 0.000 2.095 538 L HA 0.049 4.392 4.340 0.006 0.000 0.204 538 L C 2.379 179.194 176.870 -0.092 0.000 1.080 538 L CA 1.831 56.556 54.840 -0.192 0.000 0.759 538 L CB -0.709 41.337 42.059 -0.022 0.000 0.914 538 L HN 0.284 nan 8.230 nan 0.000 0.439 539 E N 0.379 120.571 120.200 -0.014 0.000 2.048 539 E HA -0.259 4.094 4.350 0.006 0.000 0.202 539 E C 2.053 178.660 176.600 0.012 0.000 1.021 539 E CA 2.402 58.808 56.400 0.010 0.000 0.825 539 E CB -0.426 29.288 29.700 0.025 0.000 0.756 539 E HN 0.436 nan 8.360 nan 0.000 0.454 540 I N 0.667 121.256 120.570 0.032 0.000 2.091 540 I HA -0.352 3.821 4.170 0.006 0.000 0.239 540 I C 2.675 178.810 176.117 0.029 0.000 1.061 540 I CA 1.180 62.525 61.300 0.076 0.000 1.317 540 I CB -1.750 36.350 38.000 0.167 0.000 1.031 540 I HN 0.306 nan 8.210 nan 0.000 0.401 541 C N 0.782 120.047 119.300 -0.057 0.000 2.385 541 C HA -0.209 4.254 4.460 0.006 0.000 0.275 541 C C 2.998 177.950 174.990 -0.063 0.000 1.207 541 C CA 0.819 59.780 59.018 -0.095 0.000 1.760 541 C CB -1.292 26.323 27.740 -0.209 0.000 2.051 541 C HN 0.476 nan 8.230 nan 0.000 0.467 542 L N -0.174 121.017 121.223 -0.052 0.000 2.083 542 L HA -0.221 4.123 4.340 0.006 0.000 0.209 542 L C 2.777 179.636 176.870 -0.018 0.000 1.083 542 L CA 1.488 56.303 54.840 -0.043 0.000 0.752 542 L CB -0.797 41.241 42.059 -0.035 0.000 0.899 542 L HN 0.499 nan 8.230 nan 0.000 0.433 543 Q N 0.198 120.023 119.800 0.042 0.000 1.975 543 Q HA -0.244 4.099 4.340 0.006 0.000 0.205 543 Q C 1.839 177.947 176.000 0.179 0.000 0.990 543 Q CA 2.056 57.945 55.803 0.144 0.000 0.845 543 Q CB -0.254 28.602 28.738 0.197 0.000 0.913 543 Q HN 0.463 nan 8.270 nan 0.000 0.420 544 D N 0.467 120.967 120.400 0.166 0.000 2.228 544 D HA -0.166 4.477 4.640 0.006 0.000 0.203 544 D C 1.609 178.075 176.300 0.276 0.000 0.988 544 D CA 0.706 54.841 54.000 0.225 0.000 0.864 544 D CB -0.087 40.854 40.800 0.235 0.000 0.928 544 D HN 0.083 nan 8.370 nan 0.000 0.469 545 L N 0.460 121.747 121.223 0.106 0.000 2.068 545 L HA -0.004 4.339 4.340 0.006 0.000 0.204 545 L C 1.849 178.712 176.870 -0.011 0.000 1.076 545 L CA 1.595 56.469 54.840 0.056 0.000 0.753 545 L CB -0.245 41.778 42.059 -0.060 0.000 0.910 545 L HN -0.092 nan 8.230 nan 0.000 0.439 546 E N -1.958 118.156 120.200 -0.144 0.000 2.478 546 E HA -0.161 4.192 4.350 0.006 0.000 0.198 546 E C 1.081 177.435 176.600 -0.410 0.000 1.046 546 E CA 0.432 56.656 56.400 -0.294 0.000 0.870 546 E CB 0.129 29.583 29.700 -0.409 0.000 0.818 546 E HN 0.631 nan 8.360 nan 0.000 0.527 547 H N -1.316 117.774 119.070 0.034 0.000 3.017 547 H HA 0.143 4.703 4.556 0.006 0.000 0.255 547 H C 0.515 175.843 175.328 0.000 0.000 0.990 547 H CA 0.281 56.339 56.048 0.016 0.000 1.205 547 H CB 0.857 30.628 29.762 0.016 0.000 1.460 547 H HN 0.133 nan 8.280 nan 0.000 0.478 548 D N -0.767 119.691 120.400 0.097 0.000 3.106 548 D HA 0.021 4.665 4.640 0.006 0.000 0.216 548 D C 1.878 178.139 176.300 -0.066 0.000 1.540 548 D CA -0.060 53.924 54.000 -0.027 0.000 1.389 548 D CB -0.138 40.577 40.800 -0.141 0.000 1.080 548 D HN 0.227 nan 8.370 nan 0.000 0.270 549 H N 1.026 120.089 119.070 -0.011 0.000 2.437 549 H HA -0.097 4.462 4.556 0.006 0.000 0.296 549 H C 1.323 176.631 175.328 -0.034 0.000 1.121 549 H CA 1.828 57.861 56.048 -0.024 0.000 1.255 549 H CB 0.406 30.152 29.762 -0.026 0.000 1.366 549 H HN 0.173 nan 8.280 nan 0.000 0.512 550 A N -0.919 121.949 122.820 0.079 0.000 2.009 550 A HA 0.398 4.721 4.320 0.006 0.000 0.197 550 A C 2.185 179.764 177.584 -0.008 0.000 1.471 550 A CA 0.939 52.983 52.037 0.013 0.000 0.973 550 A CB 0.030 19.022 19.000 -0.014 0.000 1.020 550 A HN 0.392 nan 8.150 nan 0.000 0.476 551 G N -0.566 108.229 108.800 -0.009 0.000 2.216 551 G HA2 -0.236 3.728 3.960 0.006 0.000 0.269 551 G HA3 -0.236 3.728 3.960 0.006 0.000 0.269 551 G C 0.330 175.216 174.900 -0.024 0.000 0.981 551 G CA 0.787 45.882 45.100 -0.009 0.000 0.658 551 G HN 1.014 nan 8.290 nan 0.000 0.539 552 V N 1.196 121.087 119.914 -0.038 0.000 2.539 552 V HA 0.456 4.580 4.120 0.006 0.000 0.292 552 V C -1.642 174.419 176.094 -0.054 0.000 1.045 552 V CA -1.793 60.484 62.300 -0.037 0.000 0.945 552 V CB 1.766 33.568 31.823 -0.035 0.000 0.993 552 V HN 0.017 nan 8.190 nan 0.000 0.464 553 P HA 0.204 nan 4.420 nan 0.000 0.264 553 P C -0.890 176.382 177.300 -0.046 0.000 1.193 553 P CA 0.446 63.519 63.100 -0.045 0.000 0.763 553 P CB 0.346 32.032 31.700 -0.023 0.000 0.810 554 L N 2.632 123.822 121.223 -0.055 0.000 2.333 554 L HA 0.519 4.862 4.340 0.006 0.000 0.263 554 L C 0.382 177.232 176.870 -0.034 0.000 1.014 554 L CA -0.911 53.901 54.840 -0.047 0.000 0.820 554 L CB 2.231 44.253 42.059 -0.061 0.000 1.352 554 L HN 0.150 nan 8.230 nan 0.000 0.421 555 K N 2.190 122.576 120.400 -0.023 0.000 2.334 555 K HA 0.538 4.862 4.320 0.006 0.000 0.265 555 K C -1.315 175.275 176.600 -0.017 0.000 1.039 555 K CA -0.542 55.735 56.287 -0.016 0.000 0.920 555 K CB 0.611 33.107 32.500 -0.007 0.000 1.160 555 K HN 0.356 nan 8.250 nan 0.000 0.451 556 I N 3.263 123.820 120.570 -0.021 0.000 2.359 556 I HA 0.103 4.277 4.170 0.006 0.000 0.294 556 I C 0.403 176.509 176.117 -0.019 0.000 0.987 556 I CA -0.087 61.200 61.300 -0.022 0.000 1.225 556 I CB 1.736 39.720 38.000 -0.027 0.000 1.366 556 I HN 0.561 nan 8.210 nan 0.000 0.466 557 S N 5.880 121.570 115.700 -0.017 0.000 2.603 557 S HA 0.581 5.055 4.470 0.006 0.000 0.268 557 S C -2.500 172.081 174.600 -0.032 0.000 1.317 557 S CA -1.214 56.974 58.200 -0.020 0.000 1.012 557 S CB 0.364 63.557 63.200 -0.012 0.000 0.926 557 S HN 0.316 nan 8.310 nan 0.000 0.539 558 P HA 0.270 nan 4.420 nan 0.000 0.268 558 P C -2.475 174.772 177.300 -0.088 0.000 1.208 558 P CA -0.908 62.146 63.100 -0.076 0.000 0.777 558 P CB -0.628 31.019 31.700 -0.088 0.000 0.875 559 P HA 0.090 nan 4.420 nan 0.000 0.269 559 P C -0.767 176.451 177.300 -0.136 0.000 1.209 559 P CA 0.439 63.467 63.100 -0.120 0.000 0.776 559 P CB 0.442 32.027 31.700 -0.192 0.000 0.876 560 V N 3.328 123.265 119.914 0.038 0.000 2.876 560 V HA 0.288 4.412 4.120 0.006 0.000 0.312 560 V C -0.088 176.140 176.094 0.222 0.000 1.085 560 V CA -0.799 61.568 62.300 0.111 0.000 0.945 560 V CB 2.675 34.562 31.823 0.108 0.000 1.017 560 V HN 0.179 nan 8.190 nan 0.000 0.428 561 V N 2.741 122.797 119.914 0.237 0.000 2.567 561 V HA 0.664 4.788 4.120 0.006 0.000 0.289 561 V C 0.550 176.629 176.094 -0.026 0.000 1.049 561 V CA -0.366 61.989 62.300 0.091 0.000 0.969 561 V CB 1.690 33.496 31.823 -0.028 0.000 0.995 561 V HN 1.017 nan 8.190 nan 0.000 0.471 562 A N 4.561 127.343 122.820 -0.063 0.000 2.276 562 A HA 0.682 5.006 4.320 0.006 0.000 0.300 562 A C -0.857 176.716 177.584 -0.018 0.000 1.235 562 A CA -0.200 51.852 52.037 0.025 0.000 0.867 562 A CB -0.033 19.025 19.000 0.098 0.000 1.137 562 A HN 0.705 nan 8.150 nan 0.000 0.527 563 Y N 1.215 121.646 120.300 0.217 0.000 2.612 563 Y HA 0.757 5.311 4.550 0.006 0.000 0.334 563 Y C 0.698 176.598 175.900 -0.000 0.000 1.227 563 Y CA -0.393 57.860 58.100 0.255 0.000 1.356 563 Y CB 1.099 39.788 38.460 0.381 0.000 1.534 563 Y HN 0.655 nan 8.280 nan 0.000 0.576 564 R N 0.197 120.789 120.500 0.152 0.000 2.651 564 R HA 0.328 4.672 4.340 0.006 0.000 0.278 564 R C -1.717 174.615 176.300 0.053 0.000 1.010 564 R CA -0.835 55.181 56.100 -0.139 0.000 0.896 564 R CB 1.584 31.560 30.300 -0.540 0.000 1.211 564 R HN 0.597 nan 8.270 nan 0.000 0.456 565 E N 0.855 121.068 120.200 0.022 0.000 2.216 565 E HA 0.492 4.846 4.350 0.006 0.000 0.279 565 E C -0.587 176.178 176.600 0.275 0.000 0.997 565 E CA -0.477 56.039 56.400 0.193 0.000 0.817 565 E CB 2.157 31.893 29.700 0.060 0.000 1.096 565 E HN 0.413 nan 8.360 nan 0.000 0.393 566 T N 0.610 115.373 114.554 0.350 0.000 2.792 566 T HA 0.471 4.824 4.350 0.006 0.000 0.303 566 T C -1.405 173.238 174.700 -0.095 0.000 1.310 566 T CA -0.710 61.503 62.100 0.188 0.000 1.007 566 T CB 1.418 70.335 68.868 0.081 0.000 1.335 566 T HN 0.282 nan 8.240 nan 0.000 0.504 567 V N 1.169 120.972 119.914 -0.186 0.000 2.769 567 V HA 0.795 4.919 4.120 0.006 0.000 0.312 567 V C 0.585 176.596 176.094 -0.138 0.000 1.058 567 V CA -0.572 61.544 62.300 -0.306 0.000 0.952 567 V CB 1.661 33.269 31.823 -0.359 0.000 1.019 567 V HN 0.928 nan 8.190 nan 0.000 0.445 568 E N 1.406 121.528 120.200 -0.130 0.000 2.431 568 E HA 0.252 4.606 4.350 0.006 0.000 0.200 568 E C 0.704 177.263 176.600 -0.068 0.000 0.995 568 E CA 0.882 57.239 56.400 -0.071 0.000 0.915 568 E CB 0.525 30.190 29.700 -0.057 0.000 0.930 568 E HN 1.106 nan 8.360 nan 0.000 0.496 569 S N -1.808 113.836 115.700 -0.093 0.000 2.843 569 S HA 0.349 4.823 4.470 0.006 0.000 0.301 569 S C -0.702 173.842 174.600 -0.092 0.000 1.206 569 S CA -1.074 57.078 58.200 -0.080 0.000 0.875 569 S CB 1.061 64.217 63.200 -0.073 0.000 1.248 569 S HN 0.034 nan 8.310 nan 0.000 0.555 570 E N 0.831 120.980 120.200 -0.084 0.000 2.301 570 E HA 0.437 4.791 4.350 0.006 0.000 0.275 570 E C -0.724 175.817 176.600 -0.099 0.000 1.030 570 E CA -0.513 55.836 56.400 -0.085 0.000 0.852 570 E CB 0.866 30.519 29.700 -0.078 0.000 1.060 570 E HN 0.565 nan 8.360 nan 0.000 0.401 571 S N 2.795 118.436 115.700 -0.098 0.000 2.673 571 S HA -0.086 4.387 4.470 0.006 0.000 0.308 571 S C 1.227 175.741 174.600 -0.143 0.000 1.246 571 S CA 0.072 58.199 58.200 -0.121 0.000 1.077 571 S CB 0.599 63.746 63.200 -0.088 0.000 0.814 571 S HN 0.611 nan 8.310 nan 0.000 0.503 572 S N 2.893 118.481 115.700 -0.187 0.000 2.406 572 S HA -0.251 4.222 4.470 0.006 0.000 0.242 572 S C 0.941 175.434 174.600 -0.179 0.000 1.079 572 S CA 1.907 59.993 58.200 -0.190 0.000 1.133 572 S CB -0.367 62.677 63.200 -0.261 0.000 1.005 572 S HN 0.956 nan 8.310 nan 0.000 0.443 573 Q N -1.067 118.596 119.800 -0.228 0.000 2.553 573 Q HA 0.534 4.878 4.340 0.006 0.000 0.293 573 Q C -1.389 174.551 176.000 -0.100 0.000 1.038 573 Q CA -0.963 54.743 55.803 -0.161 0.000 0.777 573 Q CB 0.956 29.572 28.738 -0.203 0.000 1.487 573 Q HN -0.043 nan 8.270 nan 0.000 0.426 574 T N 1.276 115.831 114.554 0.003 0.000 2.928 574 T HA 0.402 4.755 4.350 0.006 0.000 0.305 574 T C -0.076 174.744 174.700 0.200 0.000 1.035 574 T CA 0.273 62.427 62.100 0.090 0.000 1.145 574 T CB 0.556 69.510 68.868 0.144 0.000 0.963 574 T HN 0.599 nan 8.240 nan 0.000 0.545 575 A N 2.895 125.825 122.820 0.184 0.000 2.310 575 A HA 0.716 5.040 4.320 0.006 0.000 0.299 575 A C -0.509 177.125 177.584 0.084 0.000 1.147 575 A CA -0.641 51.550 52.037 0.258 0.000 0.818 575 A CB 0.361 19.471 19.000 0.184 0.000 1.096 575 A HN 0.738 nan 8.150 nan 0.000 0.495 576 L N 1.412 122.517 121.223 -0.196 0.000 2.445 576 L HA 0.833 5.177 4.340 0.006 0.000 0.262 576 L C -0.545 175.999 176.870 -0.543 0.000 0.974 576 L CA 0.233 54.747 54.840 -0.543 0.000 0.822 576 L CB 2.318 43.935 42.059 -0.737 0.000 1.339 576 L HN 0.600 nan 8.230 nan 0.000 0.409 577 S N 2.004 117.465 115.700 -0.399 0.000 2.550 577 S HA 0.765 5.239 4.470 0.006 0.000 0.270 577 S C -1.804 172.663 174.600 -0.220 0.000 1.145 577 S CA -0.909 57.144 58.200 -0.245 0.000 0.852 577 S CB 1.981 65.118 63.200 -0.105 0.000 1.119 577 S HN 0.707 nan 8.310 nan 0.000 0.465 578 K N -0.063 120.246 120.400 -0.151 0.000 2.422 578 K HA 0.715 5.038 4.320 0.006 0.000 0.251 578 K C -0.112 176.453 176.600 -0.059 0.000 0.933 578 K CA -0.787 55.434 56.287 -0.110 0.000 0.798 578 K CB 1.503 33.933 32.500 -0.116 0.000 1.238 578 K HN 0.559 nan 8.250 nan 0.000 0.428 579 S N 1.159 116.841 115.700 -0.029 0.000 2.592 579 S HA 0.042 4.515 4.470 0.006 0.000 0.256 579 S C -1.712 172.884 174.600 -0.006 0.000 1.369 579 S CA -0.678 57.518 58.200 -0.006 0.000 0.984 579 S CB 0.070 63.284 63.200 0.024 0.000 0.919 579 S HN 0.521 nan 8.310 nan 0.000 0.576 580 P HA -0.042 nan 4.420 nan 0.000 0.216 580 P C 1.190 178.503 177.300 0.022 0.000 1.153 580 P CA 0.930 64.031 63.100 0.001 0.000 0.848 580 P CB -0.110 31.589 31.700 -0.002 0.000 0.787 581 N N 0.110 118.849 118.700 0.065 0.000 2.091 581 N HA -0.190 4.553 4.740 0.006 0.000 0.193 581 N C 0.583 176.140 175.510 0.079 0.000 1.021 581 N CA 1.372 54.528 53.050 0.176 0.000 0.862 581 N CB -0.422 38.256 38.487 0.319 0.000 1.018 581 N HN 0.197 nan 8.380 nan 0.000 0.429 582 K N -2.137 118.251 120.400 -0.020 0.000 3.395 582 K HA -0.135 4.189 4.320 0.006 0.000 0.293 582 K C -0.191 176.231 176.600 -0.296 0.000 1.344 582 K CA 0.440 56.638 56.287 -0.148 0.000 0.864 582 K CB -1.582 30.811 32.500 -0.178 0.000 1.483 582 K HN 0.446 nan 8.250 nan 0.000 0.497 583 H N -0.325 118.777 119.070 0.053 0.000 2.705 583 H HA 0.158 4.718 4.556 0.006 0.000 0.269 583 H C -0.033 175.343 175.328 0.079 0.000 0.998 583 H CA 0.292 56.399 56.048 0.097 0.000 1.193 583 H CB 0.524 30.418 29.762 0.221 0.000 1.485 583 H HN 0.297 nan 8.280 nan 0.000 0.521 584 N N 0.709 119.479 118.700 0.117 0.000 2.238 584 N HA 0.444 5.188 4.740 0.006 0.000 0.302 584 N C -0.745 174.774 175.510 0.016 0.000 1.072 584 N CA -0.592 52.510 53.050 0.086 0.000 0.792 584 N CB 2.310 40.851 38.487 0.091 0.000 1.425 584 N HN -0.034 nan 8.380 nan 0.000 0.478 585 R N 1.191 121.701 120.500 0.016 0.000 2.744 585 R HA 0.610 4.954 4.340 0.006 0.000 0.279 585 R C -1.078 175.189 176.300 -0.055 0.000 0.977 585 R CA -0.722 55.325 56.100 -0.088 0.000 0.906 585 R CB 2.136 32.357 30.300 -0.132 0.000 1.197 585 R HN 0.437 nan 8.270 nan 0.000 0.463 586 I N 2.813 123.278 120.570 -0.176 0.000 2.447 586 I HA 0.324 4.498 4.170 0.006 0.000 0.287 586 I C -1.151 174.867 176.117 -0.164 0.000 1.023 586 I CA -0.723 60.537 61.300 -0.067 0.000 1.083 586 I CB 1.422 39.405 38.000 -0.029 0.000 1.245 586 I HN 0.485 nan 8.210 nan 0.000 0.434 587 Y N 7.246 127.525 120.300 -0.035 0.000 2.341 587 Y HA 0.684 5.238 4.550 0.006 0.000 0.337 587 Y C -0.134 175.744 175.900 -0.036 0.000 1.014 587 Y CA -0.928 57.154 58.100 -0.031 0.000 1.111 587 Y CB 1.607 40.051 38.460 -0.027 0.000 1.194 587 Y HN 0.407 nan 8.280 nan 0.000 0.462 588 L N 0.194 121.488 121.223 0.118 0.000 2.765 588 L HA 0.785 5.129 4.340 0.006 0.000 0.263 588 L C -1.699 175.202 176.870 0.050 0.000 1.068 588 L CA -1.312 53.559 54.840 0.052 0.000 0.903 588 L CB 2.323 44.395 42.059 0.021 0.000 1.512 588 L HN 0.453 nan 8.230 nan 0.000 0.404 589 K N 0.224 120.633 120.400 0.016 0.000 2.498 589 K HA 0.913 5.236 4.320 0.006 0.000 0.254 589 K C -1.597 175.004 176.600 0.002 0.000 0.933 589 K CA -0.433 55.857 56.287 0.005 0.000 0.806 589 K CB 2.372 34.859 32.500 -0.021 0.000 1.301 589 K HN 1.097 nan 8.250 nan 0.000 0.432 590 A N 2.562 125.389 122.820 0.012 0.000 2.337 590 A HA 0.632 4.955 4.320 0.006 0.000 0.329 590 A C -1.148 176.424 177.584 -0.019 0.000 1.146 590 A CA -0.491 51.563 52.037 0.028 0.000 0.800 590 A CB 0.852 19.903 19.000 0.085 0.000 1.220 590 A HN 0.827 nan 8.150 nan 0.000 0.472 591 E N 1.376 121.567 120.200 -0.016 0.000 2.413 591 E HA 0.641 4.995 4.350 0.006 0.000 0.277 591 E C -3.133 173.459 176.600 -0.014 0.000 0.958 591 E CA -2.220 54.155 56.400 -0.041 0.000 0.779 591 E CB 1.627 31.286 29.700 -0.068 0.000 1.278 591 E HN 0.273 nan 8.360 nan 0.000 0.456 592 P HA 0.131 nan 4.420 nan 0.000 0.272 592 P C -0.626 176.706 177.300 0.053 0.000 1.223 592 P CA -0.085 63.022 63.100 0.011 0.000 0.784 592 P CB 0.458 32.155 31.700 -0.004 0.000 0.923 593 I N 1.842 122.466 120.570 0.091 0.000 2.441 593 I HA 0.227 4.400 4.170 0.006 0.000 0.295 593 I C 0.184 176.377 176.117 0.127 0.000 0.994 593 I CA -0.608 60.783 61.300 0.152 0.000 1.144 593 I CB 1.471 39.557 38.000 0.142 0.000 1.314 593 I HN 0.195 nan 8.210 nan 0.000 0.445 594 D N 5.571 126.067 120.400 0.161 0.000 2.390 594 D HA 0.013 4.657 4.640 0.006 0.000 0.249 594 D C 1.139 177.510 176.300 0.118 0.000 1.144 594 D CA -0.205 53.876 54.000 0.135 0.000 0.880 594 D CB 1.658 42.559 40.800 0.168 0.000 1.182 594 D HN 0.420 nan 8.370 nan 0.000 0.451 595 E N 2.090 122.353 120.200 0.106 0.000 2.164 595 E HA -0.254 4.099 4.350 0.006 0.000 0.206 595 E C 1.442 178.108 176.600 0.110 0.000 1.032 595 E CA 1.391 57.856 56.400 0.108 0.000 0.832 595 E CB 0.175 29.938 29.700 0.105 0.000 0.742 595 E HN 0.573 nan 8.360 nan 0.000 0.460 596 E N -0.239 120.040 120.200 0.130 0.000 2.085 596 E HA -0.156 4.198 4.350 0.006 0.000 0.194 596 E C 2.229 178.870 176.600 0.069 0.000 0.994 596 E CA 1.563 58.064 56.400 0.167 0.000 0.801 596 E CB -0.011 29.856 29.700 0.278 0.000 0.743 596 E HN 0.148 nan 8.360 nan 0.000 0.453 597 V N 0.817 120.733 119.914 0.003 0.000 2.358 597 V HA -0.222 3.902 4.120 0.006 0.000 0.246 597 V C 2.325 178.343 176.094 -0.127 0.000 1.047 597 V CA 1.710 63.879 62.300 -0.219 0.000 1.035 597 V CB -0.606 31.153 31.823 -0.106 0.000 0.658 597 V HN 0.135 nan 8.190 nan 0.000 0.452 598 S N 0.520 116.218 115.700 -0.003 0.000 2.353 598 S HA -0.151 4.322 4.470 0.006 0.000 0.222 598 S C 1.937 176.570 174.600 0.055 0.000 1.035 598 S CA 1.560 59.783 58.200 0.039 0.000 1.025 598 S CB -0.437 62.807 63.200 0.073 0.000 0.902 598 S HN 0.344 nan 8.310 nan 0.000 0.440 599 L N 1.701 122.970 121.223 0.076 0.000 2.012 599 L HA -0.058 4.286 4.340 0.006 0.000 0.210 599 L C 2.668 179.572 176.870 0.057 0.000 1.073 599 L CA 1.800 56.700 54.840 0.099 0.000 0.748 599 L CB -1.639 40.489 42.059 0.116 0.000 0.891 599 L HN 0.317 nan 8.230 nan 0.000 0.431 600 A N -0.732 122.079 122.820 -0.015 0.000 1.986 600 A HA -0.204 4.119 4.320 0.006 0.000 0.220 600 A C 2.342 179.899 177.584 -0.045 0.000 1.171 600 A CA 1.880 53.873 52.037 -0.074 0.000 0.640 600 A CB -0.651 18.113 19.000 -0.393 0.000 0.811 600 A HN 0.430 nan 8.150 nan 0.000 0.451 601 I N -1.165 119.391 120.570 -0.023 0.000 2.277 601 I HA -0.176 3.997 4.170 0.006 0.000 0.243 601 I C 2.408 178.554 176.117 0.048 0.000 1.094 601 I CA 1.298 62.624 61.300 0.043 0.000 1.393 601 I CB -0.416 37.657 38.000 0.123 0.000 1.078 601 I HN 0.341 nan 8.210 nan 0.000 0.417 602 E N 1.004 121.245 120.200 0.068 0.000 2.153 602 E HA -0.154 4.200 4.350 0.006 0.000 0.194 602 E C 0.672 177.320 176.600 0.079 0.000 0.988 602 E CA 0.855 57.305 56.400 0.083 0.000 0.811 602 E CB -0.013 29.765 29.700 0.130 0.000 0.746 602 E HN 0.430 nan 8.360 nan 0.000 0.466 603 N N -0.234 118.512 118.700 0.077 0.000 2.376 603 N HA 0.087 4.830 4.740 0.006 0.000 0.249 603 N C 0.626 176.176 175.510 0.067 0.000 1.140 603 N CA 0.700 53.799 53.050 0.082 0.000 0.870 603 N CB 1.035 39.577 38.487 0.091 0.000 1.124 603 N HN 0.231 nan 8.380 nan 0.000 0.505 604 G N 1.048 109.877 108.800 0.048 0.000 2.284 604 G HA2 -0.378 3.586 3.960 0.006 0.000 0.268 604 G HA3 -0.378 3.586 3.960 0.006 0.000 0.268 604 G C 1.153 176.068 174.900 0.024 0.000 0.980 604 G CA 0.749 45.871 45.100 0.037 0.000 0.631 604 G HN 0.446 nan 8.290 nan 0.000 0.548 605 I N 0.613 121.202 120.570 0.030 0.000 2.076 605 I HA -0.052 4.122 4.170 0.006 0.000 0.237 605 I C 1.578 177.704 176.117 0.015 0.000 1.059 605 I CA 1.312 62.634 61.300 0.037 0.000 1.317 605 I CB -0.204 37.839 38.000 0.073 0.000 1.037 605 I HN 0.165 nan 8.210 nan 0.000 0.398 606 I N 2.277 122.835 120.570 -0.021 0.000 2.291 606 I HA 0.075 4.249 4.170 0.006 0.000 0.292 606 I C -0.074 176.048 176.117 0.007 0.000 1.064 606 I CA -0.031 61.259 61.300 -0.016 0.000 1.269 606 I CB 0.048 37.993 38.000 -0.091 0.000 1.418 606 I HN 0.268 nan 8.210 nan 0.000 0.485 607 N N 8.575 127.263 118.700 -0.020 0.000 2.321 607 N HA 0.363 5.107 4.740 0.006 0.000 0.299 607 N C -2.217 173.142 175.510 -0.253 0.000 1.048 607 N CA -1.942 51.021 53.050 -0.144 0.000 0.836 607 N CB 2.859 41.304 38.487 -0.071 0.000 1.269 607 N HN 0.117 nan 8.380 nan 0.000 0.486 608 P HA 0.087 nan 4.420 nan 0.000 0.223 608 P C 0.489 177.682 177.300 -0.177 0.000 1.151 608 P CA 1.038 63.761 63.100 -0.628 0.000 0.787 608 P CB 0.400 31.591 31.700 -0.848 0.000 0.788 609 R N -1.385 119.037 120.500 -0.130 0.000 2.312 609 R HA 0.106 4.450 4.340 0.006 0.000 0.205 609 R C 0.483 176.786 176.300 0.005 0.000 0.904 609 R CA -0.111 55.965 56.100 -0.041 0.000 1.052 609 R CB -0.215 30.062 30.300 -0.038 0.000 1.014 609 R HN 0.219 nan 8.270 nan 0.000 0.503 610 D N 1.189 121.594 120.400 0.009 0.000 2.273 610 D HA -0.075 4.568 4.640 0.006 0.000 0.247 610 D C -0.218 176.121 176.300 0.065 0.000 1.313 610 D CA 0.333 54.352 54.000 0.032 0.000 0.974 610 D CB 0.262 41.082 40.800 0.033 0.000 1.157 610 D HN -0.058 nan 8.370 nan 0.000 0.533 611 D N -1.341 119.083 120.400 0.039 0.000 2.264 611 D HA 0.100 4.744 4.640 0.006 0.000 0.250 611 D C 0.993 177.309 176.300 0.027 0.000 1.113 611 D CA -0.497 53.516 54.000 0.022 0.000 0.871 611 D CB 0.339 41.091 40.800 -0.081 0.000 1.167 611 D HN 0.302 nan 8.370 nan 0.000 0.447 612 F N 2.951 122.931 119.950 0.049 0.000 2.202 612 F HA -0.084 4.446 4.527 0.006 0.000 0.301 612 F C 1.605 177.439 175.800 0.056 0.000 1.082 612 F CA 0.720 58.758 58.000 0.064 0.000 1.313 612 F CB -0.394 38.650 39.000 0.073 0.000 1.024 612 F HN 0.210 nan 8.300 nan 0.000 0.495 613 K N 1.209 121.105 120.400 -0.842 0.000 2.001 613 K HA 0.002 4.326 4.320 0.006 0.000 0.208 613 K C 2.552 179.023 176.600 -0.214 0.000 1.048 613 K CA 1.167 57.115 56.287 -0.564 0.000 0.932 613 K CB -0.679 31.419 32.500 -0.669 0.000 0.715 613 K HN 0.377 nan 8.250 nan 0.000 0.437 614 A N 1.954 124.669 122.820 -0.174 0.000 1.908 614 A HA -0.206 4.117 4.320 0.006 0.000 0.218 614 A C 2.175 179.743 177.584 -0.025 0.000 1.181 614 A CA 1.579 53.570 52.037 -0.076 0.000 0.627 614 A CB -0.527 18.439 19.000 -0.057 0.000 0.818 614 A HN 0.245 nan 8.150 nan 0.000 0.445 615 R N -0.491 120.005 120.500 -0.005 0.000 2.096 615 R HA -0.073 4.271 4.340 0.006 0.000 0.235 615 R C 2.243 178.561 176.300 0.030 0.000 1.127 615 R CA 1.314 57.432 56.100 0.030 0.000 0.968 615 R CB -0.351 29.993 30.300 0.074 0.000 0.861 615 R HN 0.455 nan 8.270 nan 0.000 0.440 616 A N 0.762 123.606 122.820 0.040 0.000 1.930 616 A HA -0.151 4.173 4.320 0.006 0.000 0.217 616 A C 2.122 179.746 177.584 0.066 0.000 1.175 616 A CA 1.248 53.326 52.037 0.068 0.000 0.627 616 A CB -0.411 18.651 19.000 0.103 0.000 0.815 616 A HN 0.228 nan 8.150 nan 0.000 0.443 617 R N 0.204 120.726 120.500 0.037 0.000 2.083 617 R HA -0.117 4.227 4.340 0.006 0.000 0.237 617 R C 1.827 178.163 176.300 0.060 0.000 1.137 617 R CA 1.776 57.899 56.100 0.039 0.000 0.951 617 R CB -0.565 29.741 30.300 0.010 0.000 0.851 617 R HN 0.501 nan 8.270 nan 0.000 0.434 618 I N 0.194 120.801 120.570 0.062 0.000 2.099 618 I HA -0.297 3.876 4.170 0.006 0.000 0.239 618 I C 2.312 178.538 176.117 0.181 0.000 1.066 618 I CA 1.697 63.061 61.300 0.106 0.000 1.324 618 I CB -1.104 36.960 38.000 0.107 0.000 1.037 618 I HN 0.271 nan 8.210 nan 0.000 0.401 619 M N 0.315 119.987 119.600 0.120 0.000 2.149 619 M HA -0.195 4.288 4.480 0.006 0.000 0.261 619 M C 2.442 178.887 176.300 0.242 0.000 1.064 619 M CA 2.043 57.403 55.300 0.100 0.000 1.102 619 M CB -0.418 32.047 32.600 -0.225 0.000 1.369 619 M HN 0.312 nan 8.290 nan 0.000 0.408 620 A N 0.619 123.559 122.820 0.201 0.000 1.841 620 A HA -0.173 4.150 4.320 0.006 0.000 0.214 620 A C 1.670 179.343 177.584 0.149 0.000 1.195 620 A CA 2.015 54.174 52.037 0.204 0.000 0.611 620 A CB -0.725 18.361 19.000 0.144 0.000 0.835 620 A HN 0.373 nan 8.150 nan 0.000 0.443 621 D N 0.530 120.989 120.400 0.097 0.000 2.083 621 D HA -0.105 4.539 4.640 0.006 0.000 0.199 621 D C 1.294 177.590 176.300 -0.006 0.000 0.980 621 D CA 1.494 55.519 54.000 0.042 0.000 0.851 621 D CB -0.697 40.115 40.800 0.021 0.000 0.997 621 D HN 0.378 nan 8.370 nan 0.000 0.449 622 D N -0.904 119.459 120.400 -0.063 0.000 2.310 622 D HA -0.109 4.535 4.640 0.006 0.000 0.212 622 D C 0.815 176.765 176.300 -0.583 0.000 0.965 622 D CA 0.750 54.546 54.000 -0.340 0.000 0.879 622 D CB -0.013 40.496 40.800 -0.484 0.000 0.921 622 D HN 0.401 nan 8.370 nan 0.000 0.510 623 Y N -0.848 119.498 120.300 0.077 0.000 2.626 623 Y HA 0.338 4.891 4.550 0.006 0.000 0.248 623 Y C 1.251 177.286 175.900 0.226 0.000 1.147 623 Y CA -0.379 57.796 58.100 0.124 0.000 1.219 623 Y CB 0.853 39.358 38.460 0.076 0.000 1.279 623 Y HN -0.090 nan 8.280 nan 0.000 0.541 624 G N 0.551 109.513 108.800 0.270 0.000 2.351 624 G HA2 -0.298 3.665 3.960 0.006 0.000 0.297 624 G HA3 -0.298 3.665 3.960 0.006 0.000 0.297 624 G C -0.710 174.368 174.900 0.297 0.000 1.054 624 G CA -0.155 45.080 45.100 0.224 0.000 1.123 624 G HN 0.304 nan 8.290 nan 0.000 0.512 625 W N -0.134 121.209 121.300 0.073 0.000 2.761 625 W HA 0.548 5.211 4.660 0.006 0.000 0.340 625 W C -0.208 176.334 176.519 0.039 0.000 1.072 625 W CA -0.901 56.477 57.345 0.053 0.000 1.215 625 W CB 1.337 30.835 29.460 0.063 0.000 1.420 625 W HN 0.150 nan 8.180 nan 0.000 0.519 626 D N 1.897 122.364 120.400 0.112 0.000 2.371 626 D HA -0.019 4.625 4.640 0.006 0.000 0.256 626 D C 1.223 177.628 176.300 0.174 0.000 1.193 626 D CA 0.236 54.290 54.000 0.089 0.000 0.881 626 D CB 1.750 42.549 40.800 -0.001 0.000 1.143 626 D HN 0.228 nan 8.370 nan 0.000 0.473 627 V N 3.509 123.513 119.914 0.150 0.000 2.660 627 V HA -0.268 3.855 4.120 0.006 0.000 0.257 627 V C 1.778 177.962 176.094 0.149 0.000 1.088 627 V CA 2.100 64.493 62.300 0.154 0.000 1.106 627 V CB -0.245 31.642 31.823 0.106 0.000 0.686 627 V HN 0.626 nan 8.190 nan 0.000 0.481 628 T N -0.351 114.272 114.554 0.115 0.000 2.701 628 T HA -0.144 4.210 4.350 0.006 0.000 0.263 628 T C 1.612 176.380 174.700 0.113 0.000 1.040 628 T CA 1.578 63.735 62.100 0.095 0.000 1.147 628 T CB -0.379 68.519 68.868 0.051 0.000 0.865 628 T HN 0.532 nan 8.240 nan 0.000 0.426 629 D N 1.617 122.082 120.400 0.108 0.000 2.087 629 D HA -0.070 4.574 4.640 0.006 0.000 0.192 629 D C 2.367 178.830 176.300 0.271 0.000 0.993 629 D CA 1.460 55.536 54.000 0.128 0.000 0.828 629 D CB -0.609 40.203 40.800 0.019 0.000 0.968 629 D HN 0.371 nan 8.370 nan 0.000 0.448 630 A N 0.672 123.737 122.820 0.407 0.000 2.139 630 A HA -0.188 4.136 4.320 0.006 0.000 0.221 630 A C 2.015 179.735 177.584 0.227 0.000 1.159 630 A CA 1.170 53.402 52.037 0.326 0.000 0.662 630 A CB -0.411 18.756 19.000 0.279 0.000 0.796 630 A HN 0.154 nan 8.150 nan 0.000 0.463 631 R N -1.050 119.592 120.500 0.237 0.000 2.317 631 R HA 0.090 4.433 4.340 0.006 0.000 0.208 631 R C 0.382 176.817 176.300 0.225 0.000 0.914 631 R CA 0.238 56.522 56.100 0.307 0.000 1.060 631 R CB 0.204 30.703 30.300 0.331 0.000 1.015 631 R HN 0.215 nan 8.270 nan 0.000 0.498 632 K N 0.837 121.340 120.400 0.171 0.000 2.498 632 K HA 0.249 4.572 4.320 0.006 0.000 0.207 632 K C 0.157 176.849 176.600 0.154 0.000 1.033 632 K CA -0.072 56.297 56.287 0.137 0.000 1.138 632 K CB 0.639 33.174 32.500 0.058 0.000 0.860 632 K HN 0.124 nan 8.250 nan 0.000 0.490 633 I N 1.006 121.672 120.570 0.160 0.000 2.598 633 I HA -0.129 4.044 4.170 0.006 0.000 0.284 633 I C 0.831 177.107 176.117 0.264 0.000 1.140 633 I CA -0.003 61.367 61.300 0.117 0.000 1.420 633 I CB 0.389 38.410 38.000 0.035 0.000 1.387 633 I HN 0.159 nan 8.210 nan 0.000 0.553 634 W N 6.322 127.581 121.300 -0.069 0.000 2.630 634 W HA 0.138 4.801 4.660 0.006 0.000 0.271 634 W C 0.730 177.249 176.519 -0.000 0.000 1.244 634 W CA -0.213 57.104 57.345 -0.047 0.000 1.353 634 W CB 0.017 29.431 29.460 -0.077 0.000 1.080 634 W HN 0.688 nan 8.180 nan 0.000 0.594 635 C N -3.572 115.850 119.300 0.205 0.000 3.176 635 C HA 0.553 5.017 4.460 0.006 0.000 0.343 635 C C -0.532 174.617 174.990 0.266 0.000 1.332 635 C CA -1.941 57.232 59.018 0.259 0.000 1.200 635 C CB 0.136 28.015 27.740 0.232 0.000 1.440 635 C HN -0.051 nan 8.230 nan 0.000 0.458 636 F N 0.845 120.875 119.950 0.135 0.000 2.585 636 F HA 0.895 5.425 4.527 0.006 0.000 0.350 636 F C 1.110 177.065 175.800 0.258 0.000 1.074 636 F CA 0.400 58.503 58.000 0.171 0.000 1.032 636 F CB 2.388 41.434 39.000 0.076 0.000 1.330 636 F HN 1.221 nan 8.300 nan 0.000 0.495 637 G N 0.611 109.659 108.800 0.412 0.000 2.556 637 G HA2 0.498 4.462 3.960 0.006 0.000 0.294 637 G HA3 0.498 4.462 3.960 0.006 0.000 0.294 637 G C -3.392 171.491 174.900 -0.029 0.000 1.516 637 G CA -1.086 44.087 45.100 0.123 0.000 0.824 637 G HN 0.189 nan 8.290 nan 0.000 0.535 638 P HA 0.235 nan 4.420 nan 0.000 0.293 638 P C -0.251 176.965 177.300 -0.140 0.000 1.298 638 P CA -0.136 62.843 63.100 -0.200 0.000 0.757 638 P CB 0.370 31.915 31.700 -0.257 0.000 1.262 639 D N -1.372 118.911 120.400 -0.196 0.000 2.782 639 D HA -0.217 4.427 4.640 0.006 0.000 0.230 639 D C 0.911 177.153 176.300 -0.096 0.000 1.165 639 D CA 1.707 55.609 54.000 -0.163 0.000 0.664 639 D CB -1.808 38.895 40.800 -0.162 0.000 1.056 639 D HN 0.863 nan 8.370 nan 0.000 0.423 640 G N 1.189 109.961 108.800 -0.046 0.000 2.233 640 G HA2 -0.360 3.604 3.960 0.006 0.000 0.270 640 G HA3 -0.360 3.604 3.960 0.006 0.000 0.270 640 G C 0.538 175.438 174.900 -0.000 0.000 1.011 640 G CA 1.065 46.175 45.100 0.018 0.000 0.762 640 G HN 0.731 nan 8.290 nan 0.000 0.511 641 N N -2.095 116.611 118.700 0.009 0.000 2.002 641 N HA 0.263 5.006 4.740 0.006 0.000 0.222 641 N C 0.831 176.368 175.510 0.046 0.000 1.396 641 N CA 0.604 53.602 53.050 -0.087 0.000 0.725 641 N CB -0.451 37.937 38.487 -0.164 0.000 1.183 641 N HN 0.753 nan 8.380 nan 0.000 0.540 642 G N 1.034 109.902 108.800 0.114 0.000 2.634 642 G HA2 0.365 4.329 3.960 0.006 0.000 0.255 642 G HA3 0.365 4.329 3.960 0.006 0.000 0.255 642 G C -2.027 172.993 174.900 0.199 0.000 1.205 642 G CA -1.212 43.944 45.100 0.093 0.000 0.884 642 G HN 0.058 nan 8.290 nan 0.000 0.549 643 P HA 0.063 nan 4.420 nan 0.000 0.238 643 P C -0.863 176.494 177.300 0.094 0.000 1.714 643 P CA 0.048 63.213 63.100 0.107 0.000 0.908 643 P CB -0.465 31.267 31.700 0.054 0.000 1.893 644 N N 0.086 118.873 118.700 0.145 0.000 2.277 644 N HA 0.623 5.366 4.740 0.006 0.000 0.286 644 N C -1.007 174.623 175.510 0.201 0.000 1.140 644 N CA -0.690 52.486 53.050 0.209 0.000 0.799 644 N CB 1.984 40.616 38.487 0.242 0.000 1.596 644 N HN -0.059 nan 8.380 nan 0.000 0.473 645 L N 0.371 121.668 121.223 0.125 0.000 2.415 645 L HA 0.724 5.068 4.340 0.006 0.000 0.256 645 L C -1.274 175.385 176.870 -0.353 0.000 1.010 645 L CA -1.137 53.601 54.840 -0.169 0.000 0.826 645 L CB 2.280 44.182 42.059 -0.262 0.000 1.405 645 L HN 0.181 nan 8.230 nan 0.000 0.410 646 V N 2.974 122.604 119.914 -0.474 0.000 2.444 646 V HA 0.466 4.589 4.120 0.006 0.000 0.294 646 V C -0.454 175.486 176.094 -0.257 0.000 1.022 646 V CA -0.428 61.581 62.300 -0.484 0.000 0.850 646 V CB 1.978 33.443 31.823 -0.597 0.000 0.992 646 V HN 0.363 nan 8.190 nan 0.000 0.426 647 I N 3.471 123.907 120.570 -0.224 0.000 2.377 647 I HA 0.331 4.505 4.170 0.006 0.000 0.293 647 I C 0.047 175.958 176.117 -0.344 0.000 0.987 647 I CA -0.475 60.721 61.300 -0.173 0.000 1.185 647 I CB 1.697 39.658 38.000 -0.063 0.000 1.341 647 I HN 0.678 nan 8.210 nan 0.000 0.455 648 D N 5.771 125.899 120.400 -0.453 0.000 2.522 648 D HA 0.122 4.766 4.640 0.006 0.000 0.218 648 D C 0.337 176.461 176.300 -0.293 0.000 1.149 648 D CA -0.049 53.579 54.000 -0.619 0.000 0.981 648 D CB 0.424 40.652 40.800 -0.954 0.000 1.041 648 D HN 0.425 nan 8.370 nan 0.000 0.518 649 Q N 1.606 121.267 119.800 -0.231 0.000 2.253 649 Q HA 0.074 4.418 4.340 0.006 0.000 0.210 649 Q C 0.551 176.480 176.000 -0.119 0.000 0.907 649 Q CA -0.070 55.649 55.803 -0.141 0.000 0.948 649 Q CB 0.126 28.791 28.738 -0.122 0.000 1.033 649 Q HN 0.567 nan 8.270 nan 0.000 0.471 650 T N -1.218 113.254 114.554 -0.136 0.000 2.860 650 T HA 0.252 4.606 4.350 0.006 0.000 0.299 650 T C -0.024 174.643 174.700 -0.056 0.000 1.045 650 T CA -0.516 61.530 62.100 -0.091 0.000 1.071 650 T CB 1.110 69.930 68.868 -0.079 0.000 0.985 650 T HN -0.003 nan 8.240 nan 0.000 0.537 651 K N 1.439 121.812 120.400 -0.046 0.000 2.535 651 K HA 0.581 4.904 4.320 0.006 0.000 0.253 651 K C -0.016 176.570 176.600 -0.024 0.000 0.953 651 K CA -0.556 55.712 56.287 -0.032 0.000 0.863 651 K CB 1.611 34.086 32.500 -0.041 0.000 1.111 651 K HN 1.025 nan 8.250 nan 0.000 0.431 652 A N 1.381 124.194 122.820 -0.010 0.000 2.800 652 A HA -0.128 4.196 4.320 0.006 0.000 0.292 652 A C -0.232 177.344 177.584 -0.013 0.000 1.474 652 A CA 0.228 52.258 52.037 -0.012 0.000 0.744 652 A CB -1.864 17.123 19.000 -0.022 0.000 1.044 652 A HN 0.346 nan 8.150 nan 0.000 0.489 653 V N 2.001 121.921 119.914 0.009 0.000 2.318 653 V HA 0.291 4.414 4.120 0.006 0.000 0.271 653 V C 0.775 176.879 176.094 0.018 0.000 1.030 653 V CA 0.370 62.681 62.300 0.019 0.000 0.844 653 V CB 1.348 33.199 31.823 0.046 0.000 1.015 653 V HN 0.804 nan 8.190 nan 0.000 0.460 654 Q N 4.304 124.067 119.800 -0.062 0.000 2.315 654 Q HA -0.012 4.331 4.340 0.006 0.000 0.289 654 Q C -0.004 175.928 176.000 -0.113 0.000 1.044 654 Q CA 0.326 55.998 55.803 -0.219 0.000 0.920 654 Q CB 0.159 28.603 28.738 -0.489 0.000 1.214 654 Q HN 0.722 nan 8.270 nan 0.000 0.392 655 Y N 0.392 120.734 120.300 0.071 0.000 4.929 655 Y HA -0.355 4.199 4.550 0.006 0.000 0.253 655 Y C 0.859 176.679 175.900 -0.134 0.000 0.946 655 Y CA 0.716 58.772 58.100 -0.074 0.000 1.905 655 Y CB -2.086 36.340 38.460 -0.057 0.000 1.400 655 Y HN 0.721 nan 8.280 nan 0.000 0.531 656 L N 1.669 122.999 121.223 0.178 0.000 2.054 656 L HA -0.297 4.047 4.340 0.006 0.000 0.220 656 L C 2.881 179.871 176.870 0.200 0.000 1.081 656 L CA 2.957 57.928 54.840 0.219 0.000 0.780 656 L CB -0.768 41.452 42.059 0.269 0.000 0.893 656 L HN 0.626 nan 8.230 nan 0.000 0.438 657 H N -1.003 118.165 119.070 0.162 0.000 2.456 657 H HA -0.110 4.450 4.556 0.006 0.000 0.296 657 H C 1.532 176.864 175.328 0.008 0.000 1.079 657 H CA 1.430 57.504 56.048 0.044 0.000 1.322 657 H CB -0.754 29.013 29.762 0.009 0.000 1.388 657 H HN 0.598 nan 8.280 nan 0.000 0.538 658 E N 1.086 120.995 120.200 -0.485 0.000 2.472 658 E HA -0.007 4.346 4.350 0.006 0.000 0.200 658 E C 1.585 178.124 176.600 -0.102 0.000 1.046 658 E CA 0.975 57.208 56.400 -0.278 0.000 0.871 658 E CB 0.021 29.545 29.700 -0.293 0.000 0.806 658 E HN 0.776 nan 8.360 nan 0.000 0.533 659 I N -3.155 117.399 120.570 -0.026 0.000 4.050 659 I HA 0.217 4.391 4.170 0.006 0.000 0.327 659 I C 1.737 177.894 176.117 0.066 0.000 1.473 659 I CA -0.404 60.921 61.300 0.042 0.000 1.124 659 I CB 0.391 38.454 38.000 0.105 0.000 1.129 659 I HN -0.215 nan 8.210 nan 0.000 0.428 660 K N 1.899 122.249 120.400 -0.084 0.000 2.002 660 K HA -0.169 4.154 4.320 0.006 0.000 0.209 660 K C 1.392 177.887 176.600 -0.175 0.000 1.048 660 K CA 2.301 58.363 56.287 -0.375 0.000 0.930 660 K CB -0.024 31.963 32.500 -0.854 0.000 0.714 660 K HN 0.340 nan 8.250 nan 0.000 0.438 661 D N 0.269 120.592 120.400 -0.129 0.000 2.158 661 D HA -0.145 4.499 4.640 0.006 0.000 0.197 661 D C 1.960 178.275 176.300 0.026 0.000 0.995 661 D CA 1.334 55.303 54.000 -0.052 0.000 0.846 661 D CB -0.155 40.621 40.800 -0.040 0.000 0.941 661 D HN 0.194 nan 8.370 nan 0.000 0.456 662 S N 0.138 115.865 115.700 0.044 0.000 2.345 662 S HA -0.078 4.396 4.470 0.006 0.000 0.219 662 S C 2.432 177.114 174.600 0.136 0.000 1.031 662 S CA 0.473 58.722 58.200 0.082 0.000 0.984 662 S CB -0.354 62.885 63.200 0.066 0.000 0.874 662 S HN 0.080 nan 8.310 nan 0.000 0.451 663 V N 1.965 121.987 119.914 0.179 0.000 2.324 663 V HA -0.176 3.947 4.120 0.006 0.000 0.250 663 V C 2.343 178.600 176.094 0.271 0.000 1.060 663 V CA 1.521 63.973 62.300 0.253 0.000 1.042 663 V CB -0.832 31.246 31.823 0.425 0.000 0.650 663 V HN 0.321 nan 8.190 nan 0.000 0.450 664 V N 0.081 120.136 119.914 0.235 0.000 2.295 664 V HA -0.261 3.863 4.120 0.006 0.000 0.246 664 V C 2.714 178.951 176.094 0.238 0.000 1.049 664 V CA 2.006 64.449 62.300 0.239 0.000 1.024 664 V CB -1.185 30.717 31.823 0.132 0.000 0.648 664 V HN 0.568 nan 8.190 nan 0.000 0.447 665 A N 0.219 123.146 122.820 0.178 0.000 1.873 665 A HA -0.252 4.071 4.320 0.006 0.000 0.218 665 A C 2.460 180.210 177.584 0.278 0.000 1.193 665 A CA 2.640 54.792 52.037 0.192 0.000 0.629 665 A CB -1.063 18.046 19.000 0.181 0.000 0.826 665 A HN 0.625 nan 8.150 nan 0.000 0.447 666 A N -1.615 121.355 122.820 0.250 0.000 1.917 666 A HA -0.137 4.187 4.320 0.006 0.000 0.219 666 A C 2.050 179.778 177.584 0.240 0.000 1.182 666 A CA 1.833 54.008 52.037 0.230 0.000 0.633 666 A CB -0.747 18.347 19.000 0.156 0.000 0.819 666 A HN 0.679 nan 8.150 nan 0.000 0.448 667 F N 0.540 120.551 119.950 0.101 0.000 2.293 667 F HA -0.136 4.394 4.527 0.006 0.000 0.300 667 F C 2.376 178.197 175.800 0.035 0.000 1.086 667 F CA 1.710 59.753 58.000 0.071 0.000 1.375 667 F CB -0.051 39.000 39.000 0.085 0.000 1.045 667 F HN 0.240 nan 8.300 nan 0.000 0.516 668 Q N -1.347 118.425 119.800 -0.047 0.000 2.230 668 Q HA -0.183 4.161 4.340 0.006 0.000 0.202 668 Q C 2.033 177.802 176.000 -0.385 0.000 0.963 668 Q CA 1.554 57.193 55.803 -0.274 0.000 0.866 668 Q CB -0.813 27.741 28.738 -0.307 0.000 0.931 668 Q HN 0.586 nan 8.270 nan 0.000 0.452 669 W N 0.717 121.939 121.300 -0.130 0.000 2.525 669 W HA 0.128 4.791 4.660 0.006 0.000 0.288 669 W C 2.494 178.926 176.519 -0.144 0.000 1.200 669 W CA 0.611 57.883 57.345 -0.121 0.000 1.349 669 W CB -0.439 28.969 29.460 -0.086 0.000 1.102 669 W HN 0.086 nan 8.180 nan 0.000 0.558 670 A N 0.403 123.245 122.820 0.037 0.000 1.940 670 A HA -0.255 4.068 4.320 0.006 0.000 0.219 670 A C 1.911 179.440 177.584 -0.091 0.000 1.176 670 A CA 2.656 54.699 52.037 0.010 0.000 0.631 670 A CB -1.490 17.465 19.000 -0.076 0.000 0.814 670 A HN 0.327 nan 8.150 nan 0.000 0.446 671 T N -3.142 111.199 114.554 -0.356 0.000 3.088 671 T HA 0.046 4.399 4.350 0.006 0.000 0.259 671 T C 1.602 176.132 174.700 -0.283 0.000 1.122 671 T CA 1.404 63.263 62.100 -0.401 0.000 1.095 671 T CB 0.037 68.515 68.868 -0.649 0.000 0.930 671 T HN 0.394 nan 8.240 nan 0.000 0.508 672 K N 1.626 121.887 120.400 -0.232 0.000 2.211 672 K HA 0.172 4.495 4.320 0.006 0.000 0.201 672 K C 0.550 177.054 176.600 -0.161 0.000 1.052 672 K CA 0.668 56.824 56.287 -0.219 0.000 0.973 672 K CB 0.339 32.686 32.500 -0.255 0.000 0.766 672 K HN 0.427 nan 8.250 nan 0.000 0.466 673 E N 0.542 120.686 120.200 -0.095 0.000 2.731 673 E HA 0.257 4.611 4.350 0.006 0.000 0.248 673 E C -0.666 175.847 176.600 -0.145 0.000 1.084 673 E CA -0.545 55.793 56.400 -0.103 0.000 0.776 673 E CB 1.223 30.915 29.700 -0.014 0.000 1.404 673 E HN 0.387 nan 8.360 nan 0.000 0.395 674 G N 2.485 111.103 108.800 -0.304 0.000 2.647 674 G HA2 0.048 4.012 3.960 0.006 0.000 0.271 674 G HA3 0.048 4.012 3.960 0.006 0.000 0.271 674 G C -1.352 173.131 174.900 -0.694 0.000 1.300 674 G CA -0.633 44.136 45.100 -0.550 0.000 0.997 674 G HN 0.274 nan 8.290 nan 0.000 0.533 675 P HA 0.111 nan 4.420 nan 0.000 0.251 675 P C 1.558 178.729 177.300 -0.216 0.000 1.223 675 P CA 0.291 62.944 63.100 -0.745 0.000 0.796 675 P CB 0.369 31.482 31.700 -0.978 0.000 1.068 676 I N -0.198 120.329 120.570 -0.071 0.000 2.277 676 I HA -0.064 4.110 4.170 0.006 0.000 0.243 676 I C 1.414 177.755 176.117 0.372 0.000 1.094 676 I CA 1.558 62.982 61.300 0.207 0.000 1.393 676 I CB -0.214 38.003 38.000 0.361 0.000 1.078 676 I HN -0.085 nan 8.210 nan 0.000 0.417 677 F N -1.724 118.193 119.950 -0.054 0.000 2.455 677 F HA 0.529 5.059 4.527 0.006 0.000 0.365 677 F C 0.632 176.439 175.800 0.012 0.000 1.365 677 F CA -0.195 57.810 58.000 0.009 0.000 1.038 677 F CB -0.331 38.698 39.000 0.049 0.000 1.408 677 F HN 0.036 nan 8.300 nan 0.000 0.498 678 G N -0.015 108.658 108.800 -0.211 0.000 2.179 678 G HA2 -0.253 3.710 3.960 0.006 0.000 0.260 678 G HA3 -0.253 3.710 3.960 0.006 0.000 0.260 678 G C 0.259 174.944 174.900 -0.360 0.000 0.977 678 G CA 0.477 45.411 45.100 -0.276 0.000 0.641 678 G HN 0.483 nan 8.290 nan 0.000 0.533 679 E N 0.796 120.642 120.200 -0.589 0.000 2.397 679 E HA 0.324 4.677 4.350 0.006 0.000 0.254 679 E C 0.652 177.067 176.600 -0.309 0.000 1.231 679 E CA -0.316 55.801 56.400 -0.471 0.000 0.954 679 E CB 0.462 29.767 29.700 -0.659 0.000 1.024 679 E HN 0.592 nan 8.360 nan 0.000 0.481 680 E N 0.416 120.465 120.200 -0.251 0.000 2.373 680 E HA 0.132 4.485 4.350 0.006 0.000 0.263 680 E C -0.088 176.373 176.600 -0.232 0.000 1.073 680 E CA -0.038 56.215 56.400 -0.244 0.000 0.894 680 E CB 0.756 30.305 29.700 -0.251 0.000 1.008 680 E HN 0.210 nan 8.360 nan 0.000 0.420 681 M N 1.796 121.268 119.600 -0.214 0.000 2.342 681 M HA 0.342 4.826 4.480 0.006 0.000 0.332 681 M C -0.077 176.146 176.300 -0.127 0.000 1.166 681 M CA -0.032 55.188 55.300 -0.133 0.000 1.086 681 M CB 1.233 33.763 32.600 -0.117 0.000 1.541 681 M HN 0.302 nan 8.290 nan 0.000 0.462 682 R N 0.295 120.758 120.500 -0.060 0.000 2.515 682 R HA 0.309 4.653 4.340 0.006 0.000 0.278 682 R C -0.957 175.345 176.300 0.003 0.000 1.107 682 R CA -0.077 55.967 56.100 -0.094 0.000 0.945 682 R CB 1.249 31.386 30.300 -0.271 0.000 1.219 682 R HN 0.787 nan 8.270 nan 0.000 0.434 683 S N 0.973 116.692 115.700 0.032 0.000 3.812 683 S HA -0.117 4.357 4.470 0.006 0.000 0.341 683 S C -0.563 174.097 174.600 0.099 0.000 1.057 683 S CA 0.761 59.001 58.200 0.068 0.000 1.015 683 S CB -1.374 61.861 63.200 0.058 0.000 0.893 683 S HN 0.373 nan 8.310 nan 0.000 0.476 684 V N 1.569 121.565 119.914 0.137 0.000 2.357 684 V HA 0.584 4.707 4.120 0.006 0.000 0.284 684 V C 0.305 176.515 176.094 0.195 0.000 1.018 684 V CA -0.660 61.750 62.300 0.183 0.000 0.841 684 V CB 1.626 33.612 31.823 0.272 0.000 0.991 684 V HN 0.441 nan 8.190 nan 0.000 0.437 685 R N 4.709 125.292 120.500 0.138 0.000 2.255 685 R HA 0.651 4.994 4.340 0.006 0.000 0.326 685 R C -1.488 174.852 176.300 0.065 0.000 0.986 685 R CA -0.173 55.989 56.100 0.104 0.000 0.847 685 R CB 1.497 31.851 30.300 0.091 0.000 1.111 685 R HN 0.449 nan 8.270 nan 0.000 0.452 686 V N 5.432 125.357 119.914 0.019 0.000 2.384 686 V HA 0.388 4.511 4.120 0.006 0.000 0.287 686 V C -0.642 175.392 176.094 -0.100 0.000 1.020 686 V CA -0.808 61.486 62.300 -0.010 0.000 0.850 686 V CB 1.679 33.519 31.823 0.028 0.000 0.987 686 V HN 0.900 nan 8.190 nan 0.000 0.436 687 N N 4.686 123.336 118.700 -0.084 0.000 2.446 687 N HA 0.524 5.268 4.740 0.006 0.000 0.265 687 N C -0.666 174.772 175.510 -0.120 0.000 0.975 687 N CA -0.515 52.462 53.050 -0.122 0.000 0.928 687 N CB 1.768 40.191 38.487 -0.108 0.000 1.160 687 N HN 0.579 nan 8.380 nan 0.000 0.495 688 I N 3.803 124.260 120.570 -0.188 0.000 2.329 688 I HA 0.018 4.192 4.170 0.006 0.000 0.295 688 I C 1.126 177.167 176.117 -0.128 0.000 1.109 688 I CA -0.081 61.117 61.300 -0.171 0.000 1.297 688 I CB 0.414 38.229 38.000 -0.309 0.000 1.433 688 I HN 0.563 nan 8.210 nan 0.000 0.509 689 L N 4.166 125.357 121.223 -0.055 0.000 2.131 689 L HA 0.084 4.428 4.340 0.006 0.000 0.206 689 L C 0.649 177.484 176.870 -0.059 0.000 1.087 689 L CA 1.061 55.869 54.840 -0.053 0.000 0.767 689 L CB -0.244 41.799 42.059 -0.027 0.000 0.917 689 L HN 0.609 nan 8.230 nan 0.000 0.441 690 D N -1.984 118.423 120.400 0.011 0.000 2.622 690 D HA 0.538 5.182 4.640 0.006 0.000 0.255 690 D C -1.516 174.885 176.300 0.170 0.000 1.246 690 D CA -0.216 53.784 54.000 -0.000 0.000 0.795 690 D CB 2.985 43.632 40.800 -0.254 0.000 1.369 690 D HN -0.322 nan 8.370 nan 0.000 0.425 691 V N 0.717 120.710 119.914 0.132 0.000 2.891 691 V HA 0.602 4.726 4.120 0.006 0.000 0.304 691 V C -0.724 175.460 176.094 0.149 0.000 1.171 691 V CA -0.718 61.681 62.300 0.165 0.000 0.943 691 V CB 2.147 34.032 31.823 0.103 0.000 1.037 691 V HN 0.775 nan 8.190 nan 0.000 0.427 692 T N 2.968 117.624 114.554 0.170 0.000 2.879 692 T HA 0.879 5.232 4.350 0.006 0.000 0.290 692 T C -0.997 173.780 174.700 0.128 0.000 0.993 692 T CA -0.592 61.591 62.100 0.138 0.000 0.975 692 T CB 1.382 70.345 68.868 0.157 0.000 0.981 692 T HN 0.388 nan 8.240 nan 0.000 0.439 693 L N 1.593 122.897 121.223 0.134 0.000 2.309 693 L HA 0.560 4.904 4.340 0.006 0.000 0.261 693 L C -0.028 176.937 176.870 0.158 0.000 1.021 693 L CA -1.482 53.451 54.840 0.155 0.000 0.823 693 L CB 1.969 44.133 42.059 0.174 0.000 1.366 693 L HN 0.773 nan 8.230 nan 0.000 0.423 694 H N 0.028 119.156 119.070 0.096 0.000 2.732 694 H HA 0.201 4.761 4.556 0.006 0.000 0.351 694 H C 0.816 176.165 175.328 0.036 0.000 1.090 694 H CA 0.597 56.684 56.048 0.065 0.000 1.431 694 H CB 1.765 31.523 29.762 -0.007 0.000 1.447 694 H HN 0.722 nan 8.280 nan 0.000 0.582 695 A N 3.963 126.783 122.820 -0.000 0.000 1.933 695 A HA -0.106 4.217 4.320 0.006 0.000 0.218 695 A C 0.539 178.157 177.584 0.057 0.000 1.175 695 A CA 1.352 53.474 52.037 0.141 0.000 0.628 695 A CB -0.097 18.962 19.000 0.098 0.000 0.814 695 A HN 0.786 nan 8.150 nan 0.000 0.444 696 D N -0.861 119.714 120.400 0.292 0.000 2.210 696 D HA 0.480 5.123 4.640 0.006 0.000 0.249 696 D C 1.092 177.323 176.300 -0.116 0.000 1.078 696 D CA 0.535 54.537 54.000 0.004 0.000 0.875 696 D CB 1.627 42.410 40.800 -0.029 0.000 1.175 696 D HN 0.144 nan 8.370 nan 0.000 0.440 697 A N 3.447 126.157 122.820 -0.184 0.000 1.972 697 A HA -0.106 4.217 4.320 0.006 0.000 0.219 697 A C 1.364 178.862 177.584 -0.143 0.000 1.169 697 A CA 0.621 52.553 52.037 -0.175 0.000 0.635 697 A CB -0.399 18.498 19.000 -0.171 0.000 0.810 697 A HN 0.580 nan 8.150 nan 0.000 0.446 701 G N -0.806 107.973 108.800 -0.035 0.000 2.621 701 G HA2 0.359 4.322 3.960 0.006 0.000 0.271 701 G HA3 0.359 4.322 3.960 0.006 0.000 0.271 701 G C 1.150 176.043 174.900 -0.012 0.000 1.236 701 G CA 0.079 45.161 45.100 -0.029 0.000 0.958 701 G HN 0.135 nan 8.290 nan 0.000 0.512 702 G N -0.354 108.441 108.800 -0.008 0.000 2.469 702 G HA2 -0.083 3.880 3.960 0.006 0.000 0.220 702 G HA3 -0.083 3.880 3.960 0.006 0.000 0.220 702 G C 1.759 176.656 174.900 -0.006 0.000 1.136 702 G CA 1.512 46.614 45.100 0.003 0.000 0.759 702 G HN 0.980 nan 8.290 nan 0.000 0.562 703 G N -0.668 108.122 108.800 -0.016 0.000 2.448 703 G HA2 -0.101 3.862 3.960 0.006 0.000 0.219 703 G HA3 -0.101 3.862 3.960 0.006 0.000 0.219 703 G C 1.844 176.733 174.900 -0.019 0.000 1.127 703 G CA 1.092 46.177 45.100 -0.024 0.000 0.766 703 G HN 0.406 nan 8.290 nan 0.000 0.552 704 Q N -0.307 119.488 119.800 -0.010 0.000 2.274 704 Q HA 0.151 4.495 4.340 0.006 0.000 0.198 704 Q C 2.802 178.807 176.000 0.008 0.000 0.955 704 Q CA 0.220 56.023 55.803 0.000 0.000 0.859 704 Q CB -0.221 28.523 28.738 0.009 0.000 0.956 704 Q HN 0.387 nan 8.270 nan 0.000 0.516 705 I N 1.221 121.801 120.570 0.018 0.000 2.202 705 I HA -0.185 3.989 4.170 0.006 0.000 0.242 705 I C 2.524 178.658 176.117 0.028 0.000 1.091 705 I CA 0.932 62.251 61.300 0.031 0.000 1.368 705 I CB -1.178 36.854 38.000 0.052 0.000 1.058 705 I HN 0.128 nan 8.210 nan 0.000 0.410 706 I N 1.341 121.927 120.570 0.026 0.000 2.145 706 I HA -0.275 3.899 4.170 0.006 0.000 0.244 706 I C -0.285 175.826 176.117 -0.010 0.000 1.075 706 I CA 2.081 63.397 61.300 0.026 0.000 1.332 706 I CB -1.846 36.164 38.000 0.018 0.000 1.033 706 I HN 0.182 nan 8.210 nan 0.000 0.410 707 P HA -0.089 nan 4.420 nan 0.000 0.217 707 P C 1.582 178.857 177.300 -0.041 0.000 1.151 707 P CA 1.448 64.518 63.100 -0.050 0.000 0.828 707 P CB -0.108 31.566 31.700 -0.043 0.000 0.788 708 T N 0.014 114.555 114.554 -0.022 0.000 2.569 708 T HA -0.233 4.120 4.350 0.006 0.000 0.263 708 T C 1.769 176.455 174.700 -0.024 0.000 1.074 708 T CA 1.865 63.950 62.100 -0.024 0.000 1.176 708 T CB -1.025 67.833 68.868 -0.017 0.000 0.863 708 T HN 0.044 nan 8.240 nan 0.000 0.410 709 M N 1.427 121.028 119.600 0.002 0.000 2.089 709 M HA -0.121 4.362 4.480 0.006 0.000 0.257 709 M C 2.193 178.486 176.300 -0.011 0.000 1.071 709 M CA 1.614 56.928 55.300 0.024 0.000 1.096 709 M CB -0.495 32.153 32.600 0.080 0.000 1.330 709 M HN -0.041 nan 8.290 nan 0.000 0.403 710 R N 0.108 120.571 120.500 -0.061 0.000 2.083 710 R HA -0.137 4.206 4.340 0.006 0.000 0.237 710 R C 2.235 178.301 176.300 -0.390 0.000 1.137 710 R CA 2.065 58.036 56.100 -0.215 0.000 0.951 710 R CB -0.385 29.781 30.300 -0.223 0.000 0.851 710 R HN 0.525 nan 8.270 nan 0.000 0.434 711 R N -0.559 119.813 120.500 -0.213 0.000 2.115 711 R HA 0.017 4.361 4.340 0.006 0.000 0.226 711 R C 2.265 178.572 176.300 0.012 0.000 1.100 711 R CA 0.991 57.029 56.100 -0.104 0.000 0.980 711 R CB -0.240 30.118 30.300 0.096 0.000 0.875 711 R HN 0.190 nan 8.270 nan 0.000 0.445 712 A N 0.834 123.659 122.820 0.008 0.000 1.898 712 A HA -0.133 4.190 4.320 0.006 0.000 0.216 712 A C 2.159 179.807 177.584 0.107 0.000 1.181 712 A CA 1.778 53.849 52.037 0.057 0.000 0.620 712 A CB -0.755 18.249 19.000 0.007 0.000 0.819 712 A HN 0.216 nan 8.150 nan 0.000 0.442 713 T N -0.838 113.764 114.554 0.079 0.000 2.652 713 T HA -0.177 4.176 4.350 0.006 0.000 0.267 713 T C 1.797 176.652 174.700 0.259 0.000 1.039 713 T CA 1.732 63.932 62.100 0.167 0.000 1.153 713 T CB -0.489 68.484 68.868 0.175 0.000 0.863 713 T HN 0.471 nan 8.240 nan 0.000 0.428 714 Y N 1.665 121.928 120.300 -0.061 0.000 2.151 714 Y HA -0.102 4.451 4.550 0.006 0.000 0.284 714 Y C 2.800 178.730 175.900 0.051 0.000 1.166 714 Y CA 0.227 58.207 58.100 -0.200 0.000 1.163 714 Y CB -1.473 36.505 38.460 -0.802 0.000 0.974 714 Y HN 0.223 nan 8.280 nan 0.000 0.511 715 A N 0.063 123.082 122.820 0.332 0.000 1.851 715 A HA -0.159 4.164 4.320 0.006 0.000 0.216 715 A C 2.740 180.519 177.584 0.324 0.000 1.195 715 A CA 2.141 54.449 52.037 0.450 0.000 0.622 715 A CB -1.497 17.797 19.000 0.490 0.000 0.831 715 A HN 0.450 nan 8.150 nan 0.000 0.444 716 G N -1.386 107.561 108.800 0.246 0.000 2.469 716 G HA2 -0.275 3.689 3.960 0.006 0.000 0.219 716 G HA3 -0.275 3.689 3.960 0.006 0.000 0.219 716 G C 1.507 176.500 174.900 0.155 0.000 1.150 716 G CA 1.256 46.449 45.100 0.156 0.000 0.763 716 G HN 0.509 nan 8.290 nan 0.000 0.561 717 F N 0.611 120.614 119.950 0.089 0.000 2.051 717 F HA -0.040 4.490 4.527 0.006 0.000 0.296 717 F C 2.380 178.211 175.800 0.051 0.000 1.122 717 F CA 1.005 59.043 58.000 0.063 0.000 1.201 717 F CB -0.183 38.855 39.000 0.063 0.000 0.978 717 F HN 0.015 nan 8.300 nan 0.000 0.472 718 L N 0.443 121.911 121.223 0.407 0.000 2.187 718 L HA -0.205 4.139 4.340 0.006 0.000 0.213 718 L C 2.150 179.076 176.870 0.093 0.000 1.100 718 L CA 1.488 56.505 54.840 0.294 0.000 0.765 718 L CB -1.319 40.989 42.059 0.415 0.000 0.904 718 L HN 0.315 nan 8.230 nan 0.000 0.437 719 L N -1.305 119.909 121.223 -0.014 0.000 2.209 719 L HA 0.032 4.375 4.340 0.006 0.000 0.207 719 L C 1.843 178.603 176.870 -0.183 0.000 1.094 719 L CA 0.556 55.265 54.840 -0.219 0.000 0.790 719 L CB -0.382 41.458 42.059 -0.365 0.000 0.932 719 L HN 0.173 nan 8.230 nan 0.000 0.447 720 A N 0.030 122.748 122.820 -0.169 0.000 2.426 720 A HA -0.010 4.313 4.320 0.006 0.000 0.247 720 A C 0.046 177.502 177.584 -0.213 0.000 1.389 720 A CA -0.010 51.915 52.037 -0.186 0.000 1.129 720 A CB -0.909 17.979 19.000 -0.187 0.000 0.928 720 A HN 0.479 nan 8.150 nan 0.000 0.557 721 D N -0.799 119.498 120.400 -0.172 0.000 3.763 721 D HA -0.102 4.542 4.640 0.006 0.000 0.232 721 D C -2.781 173.400 176.300 -0.197 0.000 1.108 721 D CA 0.340 54.256 54.000 -0.140 0.000 1.117 721 D CB -0.524 40.213 40.800 -0.105 0.000 0.846 721 D HN 0.313 nan 8.370 nan 0.000 0.405 722 P HA 0.325 nan 4.420 nan 0.000 0.275 722 P C -0.322 176.941 177.300 -0.061 0.000 1.227 722 P CA -0.133 62.844 63.100 -0.204 0.000 0.781 722 P CB 0.813 32.502 31.700 -0.019 0.000 0.906 723 K N 1.948 122.338 120.400 -0.016 0.000 2.533 723 K HA 0.597 4.920 4.320 0.006 0.000 0.272 723 K C -0.595 176.070 176.600 0.110 0.000 0.985 723 K CA -0.735 55.573 56.287 0.034 0.000 0.876 723 K CB 2.445 34.953 32.500 0.013 0.000 1.452 723 K HN 0.532 nan 8.250 nan 0.000 0.439 724 I N -1.428 119.209 120.570 0.111 0.000 2.608 724 I HA 0.442 4.615 4.170 0.006 0.000 0.295 724 I C -0.827 175.415 176.117 0.208 0.000 1.049 724 I CA -0.728 60.681 61.300 0.182 0.000 1.063 724 I CB 2.279 40.381 38.000 0.169 0.000 1.248 724 I HN 0.365 nan 8.210 nan 0.000 0.424 725 Q N 4.837 124.796 119.800 0.266 0.000 2.274 725 Q HA 0.415 4.758 4.340 0.006 0.000 0.260 725 Q C -1.134 175.192 176.000 0.542 0.000 0.974 725 Q CA -0.752 55.250 55.803 0.331 0.000 0.876 725 Q CB 2.481 31.380 28.738 0.268 0.000 1.297 725 Q HN 0.743 nan 8.270 nan 0.000 0.446 726 E N 2.213 122.709 120.200 0.493 0.000 2.195 726 E HA 0.550 4.903 4.350 0.006 0.000 0.271 726 E C -2.651 174.065 176.600 0.194 0.000 0.923 726 E CA -2.337 54.298 56.400 0.391 0.000 0.790 726 E CB 1.837 31.728 29.700 0.319 0.000 1.155 726 E HN 0.193 nan 8.360 nan 0.000 0.402 727 P HA 0.137 nan 4.420 nan 0.000 0.282 727 P C -0.705 176.239 177.300 -0.593 0.000 1.249 727 P CA -0.491 62.272 63.100 -0.561 0.000 0.806 727 P CB 1.375 32.618 31.700 -0.762 0.000 0.984 728 V N 3.170 122.559 119.914 -0.874 0.000 2.686 728 V HA 0.336 4.459 4.120 0.006 0.000 0.306 728 V C 0.023 175.623 176.094 -0.824 0.000 1.065 728 V CA -0.493 61.306 62.300 -0.835 0.000 0.894 728 V CB 1.387 32.655 31.823 -0.924 0.000 1.004 728 V HN 0.362 nan 8.190 nan 0.000 0.424 729 F N 3.325 123.050 119.950 -0.376 0.000 2.375 729 F HA 0.524 5.055 4.527 0.006 0.000 0.313 729 F C 0.355 176.100 175.800 -0.091 0.000 1.176 729 F CA -0.926 56.916 58.000 -0.265 0.000 1.142 729 F CB 0.873 39.732 39.000 -0.235 0.000 1.275 729 F HN 0.239 nan 8.300 nan 0.000 0.544 730 L N 3.963 125.298 121.223 0.187 0.000 2.417 730 L HA 0.435 4.779 4.340 0.006 0.000 0.259 730 L C -1.101 175.760 176.870 -0.015 0.000 1.023 730 L CA -0.793 54.127 54.840 0.133 0.000 0.901 730 L CB 0.495 42.637 42.059 0.138 0.000 1.227 730 L HN 0.456 nan 8.230 nan 0.000 0.454 731 V N 1.698 121.568 119.914 -0.073 0.000 2.530 731 V HA 0.462 4.585 4.120 0.006 0.000 0.282 731 V C -0.100 175.933 176.094 -0.101 0.000 1.048 731 V CA -0.465 61.757 62.300 -0.129 0.000 0.997 731 V CB 1.500 33.223 31.823 -0.166 0.000 0.987 731 V HN 0.866 nan 8.190 nan 0.000 0.477 732 E N 4.844 124.986 120.200 -0.096 0.000 2.151 732 E HA 0.653 5.007 4.350 0.006 0.000 0.275 732 E C -1.220 175.345 176.600 -0.059 0.000 0.936 732 E CA -0.824 55.534 56.400 -0.070 0.000 0.777 732 E CB 1.636 31.299 29.700 -0.060 0.000 1.108 732 E HN 0.864 nan 8.360 nan 0.000 0.401 733 I N 3.649 124.199 120.570 -0.033 0.000 2.466 733 I HA 0.211 4.384 4.170 0.006 0.000 0.289 733 I C -0.629 175.509 176.117 0.034 0.000 1.026 733 I CA -1.034 60.259 61.300 -0.013 0.000 1.078 733 I CB 1.993 39.976 38.000 -0.028 0.000 1.249 733 I HN 0.448 nan 8.210 nan 0.000 0.429 734 Q N 4.280 124.131 119.800 0.085 0.000 2.256 734 Q HA 0.577 4.921 4.340 0.006 0.000 0.254 734 Q C -1.093 174.961 176.000 0.089 0.000 0.916 734 Q CA 0.020 55.887 55.803 0.106 0.000 0.932 734 Q CB 1.789 30.616 28.738 0.148 0.000 1.207 734 Q HN 0.700 nan 8.270 nan 0.000 0.426 735 C N 5.014 124.371 119.300 0.094 0.000 3.146 735 C HA 0.465 4.929 4.460 0.006 0.000 0.405 735 C C -2.757 172.320 174.990 0.145 0.000 1.012 735 C CA -1.551 57.521 59.018 0.090 0.000 1.217 735 C CB 1.281 29.061 27.740 0.067 0.000 1.599 735 C HN 0.645 nan 8.230 nan 0.000 0.567 736 P HA 0.057 nan 4.420 nan 0.000 0.265 736 P C 0.735 178.163 177.300 0.214 0.000 1.187 736 P CA 0.737 63.941 63.100 0.174 0.000 0.766 736 P CB 0.492 32.286 31.700 0.156 0.000 0.820 737 E N 2.609 122.956 120.200 0.244 0.000 2.187 737 E HA -0.321 4.032 4.350 0.006 0.000 0.199 737 E C 1.410 178.153 176.600 0.238 0.000 1.004 737 E CA 1.510 58.136 56.400 0.378 0.000 0.813 737 E CB 0.122 29.998 29.700 0.293 0.000 0.736 737 E HN 0.540 nan 8.360 nan 0.000 0.468 738 Q N -0.435 119.459 119.800 0.155 0.000 2.084 738 Q HA -0.103 4.240 4.340 0.006 0.000 0.202 738 Q C 1.980 178.037 176.000 0.095 0.000 0.978 738 Q CA 1.512 57.381 55.803 0.109 0.000 0.844 738 Q CB -0.186 28.601 28.738 0.083 0.000 0.898 738 Q HN 0.200 nan 8.270 nan 0.000 0.426 739 A N 0.809 123.686 122.820 0.095 0.000 2.195 739 A HA 0.142 4.466 4.320 0.006 0.000 0.210 739 A C 2.179 179.801 177.584 0.063 0.000 1.165 739 A CA 0.024 52.100 52.037 0.066 0.000 0.806 739 A CB -0.108 18.921 19.000 0.048 0.000 0.847 739 A HN 0.183 nan 8.150 nan 0.000 0.482 740 V N 0.330 120.302 119.914 0.097 0.000 2.636 740 V HA -0.292 3.831 4.120 0.006 0.000 0.258 740 V C 2.660 178.810 176.094 0.093 0.000 1.092 740 V CA 1.885 64.229 62.300 0.073 0.000 1.110 740 V CB -1.405 30.477 31.823 0.099 0.000 0.685 740 V HN 0.604 nan 8.190 nan 0.000 0.481 741 G N 0.387 109.251 108.800 0.107 0.000 2.421 741 G HA2 -0.170 3.793 3.960 0.006 0.000 0.216 741 G HA3 -0.170 3.793 3.960 0.006 0.000 0.216 741 G C 1.622 176.580 174.900 0.097 0.000 1.171 741 G CA 0.810 45.986 45.100 0.127 0.000 0.775 741 G HN 0.595 nan 8.290 nan 0.000 0.543 742 G N 0.671 109.494 108.800 0.039 0.000 2.479 742 G HA2 -0.136 3.827 3.960 0.006 0.000 0.220 742 G HA3 -0.136 3.827 3.960 0.006 0.000 0.220 742 G C 1.683 176.560 174.900 -0.038 0.000 1.115 742 G CA 0.737 45.838 45.100 0.002 0.000 0.757 742 G HN 0.469 nan 8.290 nan 0.000 0.560 743 I N -0.624 119.894 120.570 -0.087 0.000 2.094 743 I HA -0.170 4.004 4.170 0.006 0.000 0.234 743 I C 2.360 178.363 176.117 -0.191 0.000 1.063 743 I CA 1.102 62.282 61.300 -0.199 0.000 1.328 743 I CB -0.417 37.367 38.000 -0.359 0.000 1.058 743 I HN 0.109 nan 8.210 nan 0.000 0.400 744 Y N 0.589 120.886 120.300 -0.005 0.000 2.241 744 Y HA -0.311 4.243 4.550 0.005 0.000 0.286 744 Y C 3.010 178.918 175.900 0.013 0.000 1.166 744 Y CA 1.729 59.829 58.100 -0.001 0.000 1.203 744 Y CB -0.992 37.455 38.460 -0.022 0.000 0.977 744 Y HN 0.197 nan 8.280 nan 0.000 0.529 745 S N -0.344 115.430 115.700 0.122 0.000 2.359 745 S HA -0.171 4.302 4.470 0.006 0.000 0.224 745 S C 2.095 176.732 174.600 0.062 0.000 1.035 745 S CA 1.783 60.031 58.200 0.079 0.000 1.018 745 S CB -0.707 62.522 63.200 0.048 0.000 0.876 745 S HN 0.202 nan 8.310 nan 0.000 0.448 746 V N 2.061 121.998 119.914 0.038 0.000 2.407 746 V HA -0.016 4.108 4.120 0.006 0.000 0.245 746 V C 2.468 178.635 176.094 0.122 0.000 1.041 746 V CA 1.467 63.799 62.300 0.053 0.000 1.040 746 V CB -0.761 31.049 31.823 -0.022 0.000 0.671 746 V HN 0.465 nan 8.190 nan 0.000 0.455 747 L N 0.661 121.958 121.223 0.122 0.000 2.129 747 L HA -0.186 4.158 4.340 0.006 0.000 0.212 747 L C 1.950 178.887 176.870 0.112 0.000 1.087 747 L CA 1.376 56.295 54.840 0.133 0.000 0.757 747 L CB -0.683 41.423 42.059 0.079 0.000 0.896 747 L HN 0.439 nan 8.230 nan 0.000 0.434 748 N N 0.442 119.206 118.700 0.107 0.000 2.515 748 N HA -0.059 4.684 4.740 0.006 0.000 0.191 748 N C 0.805 176.363 175.510 0.079 0.000 1.182 748 N CA 0.726 53.831 53.050 0.092 0.000 0.879 748 N CB 0.176 38.717 38.487 0.090 0.000 0.984 748 N HN 0.427 nan 8.380 nan 0.000 0.453 749 K N -0.546 119.906 120.400 0.087 0.000 2.483 749 K HA 0.221 4.544 4.320 0.006 0.000 0.206 749 K C 0.355 177.010 176.600 0.091 0.000 1.086 749 K CA 0.057 56.392 56.287 0.080 0.000 1.052 749 K CB 0.914 33.458 32.500 0.073 0.000 0.904 749 K HN -0.197 nan 8.250 nan 0.000 0.557 750 K N 0.228 120.687 120.400 0.098 0.000 2.533 750 K HA 0.272 4.596 4.320 0.006 0.000 0.202 750 K C -0.606 176.035 176.600 0.069 0.000 1.096 750 K CA -0.163 56.180 56.287 0.095 0.000 1.056 750 K CB 0.727 33.298 32.500 0.119 0.000 0.890 750 K HN 0.012 nan 8.250 nan 0.000 0.552 751 R N -0.383 120.158 120.500 0.070 0.000 3.532 751 R HA -0.122 4.222 4.340 0.006 0.000 0.284 751 R C 0.140 176.478 176.300 0.064 0.000 1.140 751 R CA 0.577 56.715 56.100 0.063 0.000 0.768 751 R CB -2.242 28.092 30.300 0.058 0.000 1.252 751 R HN 0.333 nan 8.270 nan 0.000 0.454 752 G N 0.767 109.608 108.800 0.069 0.000 2.415 752 G HA2 0.305 4.269 3.960 0.006 0.000 0.269 752 G HA3 0.305 4.269 3.960 0.006 0.000 0.269 752 G C -0.380 174.571 174.900 0.084 0.000 1.209 752 G CA -0.317 44.823 45.100 0.067 0.000 0.835 752 G HN 0.205 nan 8.290 nan 0.000 0.534 753 Q N 2.225 122.083 119.800 0.097 0.000 2.394 753 Q HA 0.399 4.743 4.340 0.006 0.000 0.261 753 Q C -0.653 175.358 176.000 0.018 0.000 1.023 753 Q CA -0.655 55.207 55.803 0.098 0.000 0.720 753 Q CB 1.514 30.359 28.738 0.179 0.000 1.241 753 Q HN 0.358 nan 8.270 nan 0.000 0.483 754 V N 4.229 124.161 119.914 0.030 0.000 2.617 754 V HA -0.035 4.089 4.120 0.006 0.000 0.304 754 V C 0.967 177.017 176.094 -0.073 0.000 1.040 754 V CA 0.246 62.545 62.300 -0.001 0.000 1.149 754 V CB 1.033 32.935 31.823 0.133 0.000 0.914 754 V HN 0.781 nan 8.190 nan 0.000 0.487 755 V N 2.662 122.480 119.914 -0.161 0.000 3.048 755 V HA 0.194 4.317 4.120 0.006 0.000 0.241 755 V C 0.655 176.692 176.094 -0.095 0.000 1.129 755 V CA 1.237 63.423 62.300 -0.190 0.000 1.128 755 V CB 0.794 32.387 31.823 -0.384 0.000 0.849 755 V HN 1.034 nan 8.190 nan 0.000 0.475 756 S N -0.473 115.185 115.700 -0.070 0.000 2.558 756 S HA 0.526 4.999 4.470 0.006 0.000 0.277 756 S C -1.331 173.269 174.600 0.001 0.000 1.143 756 S CA -0.697 57.489 58.200 -0.025 0.000 0.865 756 S CB 2.374 65.558 63.200 -0.026 0.000 1.102 756 S HN 0.338 nan 8.310 nan 0.000 0.454 757 E N 1.196 121.411 120.200 0.025 0.000 2.241 757 E HA 0.522 4.875 4.350 0.006 0.000 0.263 757 E C -0.979 175.691 176.600 0.116 0.000 0.882 757 E CA -0.447 55.976 56.400 0.039 0.000 0.769 757 E CB 1.370 31.055 29.700 -0.026 0.000 1.185 757 E HN 0.792 nan 8.360 nan 0.000 0.415 758 E N 3.633 123.965 120.200 0.220 0.000 2.393 758 E HA 0.320 4.674 4.350 0.006 0.000 0.273 758 E C -1.174 175.676 176.600 0.416 0.000 0.918 758 E CA -0.997 55.567 56.400 0.275 0.000 0.773 758 E CB 2.045 31.827 29.700 0.136 0.000 1.275 758 E HN 0.375 nan 8.360 nan 0.000 0.451 759 Q N 1.729 121.646 119.800 0.196 0.000 2.342 759 Q HA 0.307 4.651 4.340 0.006 0.000 0.267 759 Q C -0.889 175.062 176.000 -0.081 0.000 1.038 759 Q CA -0.990 54.730 55.803 -0.139 0.000 0.832 759 Q CB 1.958 30.371 28.738 -0.541 0.000 1.323 759 Q HN 0.586 nan 8.270 nan 0.000 0.448 760 R N 4.491 124.937 120.500 -0.090 0.000 2.370 760 R HA 0.115 4.458 4.340 0.006 0.000 0.309 760 R C -1.885 174.374 176.300 -0.068 0.000 1.059 760 R CA -1.192 54.884 56.100 -0.041 0.000 0.981 760 R CB 0.442 30.739 30.300 -0.005 0.000 0.972 760 R HN 0.570 nan 8.270 nan 0.000 0.437 761 P HA -0.292 nan 4.420 nan 0.000 0.214 761 P C 0.885 178.147 177.300 -0.064 0.000 0.989 761 P CA 2.267 65.338 63.100 -0.048 0.000 1.008 761 P CB -0.043 31.640 31.700 -0.029 0.000 0.747 762 G N -1.849 106.918 108.800 -0.055 0.000 2.464 762 G HA2 -0.141 3.823 3.960 0.006 0.000 0.214 762 G HA3 -0.141 3.823 3.960 0.006 0.000 0.214 762 G C 0.584 175.426 174.900 -0.096 0.000 1.218 762 G CA 1.662 46.721 45.100 -0.068 0.000 0.794 762 G HN 0.539 nan 8.290 nan 0.000 0.542 763 T N -0.521 113.980 114.554 -0.089 0.000 2.701 763 T HA 0.348 4.701 4.350 0.006 0.000 0.303 763 T C -1.796 172.825 174.700 -0.132 0.000 1.030 763 T CA -0.729 61.294 62.100 -0.127 0.000 1.010 763 T CB 1.564 70.430 68.868 -0.003 0.000 1.007 763 T HN 0.118 nan 8.240 nan 0.000 0.532 764 P HA 0.291 nan 4.420 nan 0.000 0.241 764 P C -0.643 176.640 177.300 -0.028 0.000 1.783 764 P CA -0.369 62.660 63.100 -0.118 0.000 1.052 764 P CB -0.205 31.444 31.700 -0.085 0.000 1.594 765 L N 0.806 122.035 121.223 0.010 0.000 2.264 765 L HA 0.477 4.821 4.340 0.006 0.000 0.287 765 L C -0.489 176.369 176.870 -0.019 0.000 1.039 765 L CA -0.782 54.103 54.840 0.075 0.000 0.829 765 L CB -0.125 42.027 42.059 0.154 0.000 1.211 765 L HN -0.219 nan 8.230 nan 0.000 0.427 766 F N 2.465 122.458 119.950 0.072 0.000 2.378 766 F HA 0.559 5.089 4.527 0.005 0.000 0.319 766 F C 0.995 176.818 175.800 0.037 0.000 1.155 766 F CA -0.209 57.823 58.000 0.054 0.000 1.157 766 F CB 1.620 40.657 39.000 0.062 0.000 1.252 766 F HN 0.452 nan 8.300 nan 0.000 0.550 767 T N 1.711 116.445 114.554 0.301 0.000 3.160 767 T HA 0.450 4.803 4.350 0.006 0.000 0.346 767 T C -1.392 173.360 174.700 0.086 0.000 1.027 767 T CA -0.575 61.610 62.100 0.143 0.000 1.287 767 T CB -0.444 68.485 68.868 0.101 0.000 0.997 767 T HN 0.270 nan 8.240 nan 0.000 0.518 768 V N 4.889 124.819 119.914 0.027 0.000 2.555 768 V HA 0.429 4.552 4.120 0.006 0.000 0.286 768 V C 0.466 176.521 176.094 -0.065 0.000 1.044 768 V CA -0.202 62.071 62.300 -0.045 0.000 1.026 768 V CB 0.899 32.622 31.823 -0.165 0.000 0.981 768 V HN 0.702 nan 8.190 nan 0.000 0.480 769 K N 3.256 123.611 120.400 -0.076 0.000 2.292 769 K HA 0.833 5.156 4.320 0.006 0.000 0.257 769 K C -0.427 176.069 176.600 -0.173 0.000 0.940 769 K CA -0.309 55.910 56.287 -0.115 0.000 0.811 769 K CB 2.158 34.591 32.500 -0.111 0.000 1.120 769 K HN 0.864 nan 8.250 nan 0.000 0.428 770 A N 2.105 124.804 122.820 -0.201 0.000 2.583 770 A HA 0.621 4.944 4.320 0.006 0.000 0.289 770 A C -1.962 175.479 177.584 -0.239 0.000 1.151 770 A CA -0.684 51.209 52.037 -0.241 0.000 0.695 770 A CB 0.772 19.702 19.000 -0.116 0.000 1.290 770 A HN 0.532 nan 8.150 nan 0.000 0.419 771 Y N -0.142 120.148 120.300 -0.016 0.000 2.335 771 Y HA 0.595 5.148 4.550 0.006 0.000 0.339 771 Y C -0.319 175.546 175.900 -0.059 0.000 0.987 771 Y CA -0.917 57.172 58.100 -0.018 0.000 1.140 771 Y CB 1.624 40.112 38.460 0.047 0.000 1.173 771 Y HN 0.513 nan 8.280 nan 0.000 0.486 772 L N 7.397 128.668 121.223 0.081 0.000 2.319 772 L HA 0.660 5.003 4.340 0.006 0.000 0.281 772 L C -2.832 174.003 176.870 -0.059 0.000 1.005 772 L CA -2.568 52.244 54.840 -0.045 0.000 0.828 772 L CB 1.720 43.634 42.059 -0.242 0.000 1.227 772 L HN 0.287 nan 8.230 nan 0.000 0.415 773 P HA 0.049 nan 4.420 nan 0.000 0.267 773 P C 0.899 178.086 177.300 -0.188 0.000 1.209 773 P CA -0.045 62.965 63.100 -0.149 0.000 0.763 773 P CB 0.891 32.557 31.700 -0.056 0.000 0.816 774 V N 3.866 123.546 119.914 -0.390 0.000 2.469 774 V HA -0.247 3.876 4.120 0.006 0.000 0.251 774 V C 1.941 177.871 176.094 -0.274 0.000 1.064 774 V CA 2.159 64.181 62.300 -0.464 0.000 1.066 774 V CB -1.101 30.257 31.823 -0.775 0.000 0.667 774 V HN 0.726 nan 8.190 nan 0.000 0.461 775 N N -0.073 118.548 118.700 -0.132 0.000 2.501 775 N HA -0.107 4.637 4.740 0.006 0.000 0.195 775 N C 0.999 176.590 175.510 0.134 0.000 1.213 775 N CA 0.673 53.766 53.050 0.072 0.000 0.864 775 N CB 0.161 38.752 38.487 0.172 0.000 0.999 775 N HN 0.527 nan 8.380 nan 0.000 0.454 776 E N 0.011 120.224 120.200 0.022 0.000 2.641 776 E HA 0.035 4.389 4.350 0.006 0.000 0.224 776 E C 0.517 177.131 176.600 0.023 0.000 0.951 776 E CA 0.089 56.529 56.400 0.068 0.000 1.102 776 E CB 0.732 30.461 29.700 0.047 0.000 1.091 776 E HN 0.447 nan 8.360 nan 0.000 0.507 777 S N -0.217 115.412 115.700 -0.118 0.000 2.605 777 S HA 0.160 4.634 4.470 0.006 0.000 0.217 777 S C 0.462 174.988 174.600 -0.124 0.000 0.958 777 S CA -0.469 57.635 58.200 -0.159 0.000 0.919 777 S CB -0.496 62.606 63.200 -0.163 0.000 0.780 777 S HN -0.059 nan 8.310 nan 0.000 0.507 778 F N 2.785 122.803 119.950 0.115 0.000 2.506 778 F HA 0.511 5.041 4.527 0.006 0.000 0.371 778 F C 1.701 177.565 175.800 0.107 0.000 1.078 778 F CA 0.392 58.452 58.000 0.099 0.000 1.195 778 F CB 0.243 39.288 39.000 0.075 0.000 1.099 778 F HN 0.306 nan 8.300 nan 0.000 0.548 779 G N 3.123 112.078 108.800 0.258 0.000 2.160 779 G HA2 -0.390 3.574 3.960 0.006 0.000 0.251 779 G HA3 -0.390 3.574 3.960 0.006 0.000 0.251 779 G C 0.894 175.881 174.900 0.145 0.000 1.008 779 G CA 0.402 45.600 45.100 0.163 0.000 0.724 779 G HN 0.657 nan 8.290 nan 0.000 0.514 780 F N 2.138 122.086 119.950 -0.003 0.000 2.051 780 F HA -0.121 4.410 4.527 0.007 0.000 0.296 780 F C 2.939 178.709 175.800 -0.049 0.000 1.122 780 F CA 3.238 61.217 58.000 -0.035 0.000 1.201 780 F CB -0.810 38.144 39.000 -0.077 0.000 0.978 780 F HN 0.389 nan 8.300 nan 0.000 0.472 781 T N -1.793 112.735 114.554 -0.043 0.000 2.737 781 T HA -0.167 4.187 4.350 0.006 0.000 0.269 781 T C 2.288 176.884 174.700 -0.172 0.000 1.040 781 T CA 1.469 63.463 62.100 -0.177 0.000 1.142 781 T CB -1.729 67.095 68.868 -0.073 0.000 0.861 781 T HN 0.364 nan 8.240 nan 0.000 0.456 782 G N 1.247 109.992 108.800 -0.092 0.000 2.421 782 G HA2 -0.153 3.811 3.960 0.006 0.000 0.216 782 G HA3 -0.153 3.811 3.960 0.006 0.000 0.216 782 G C 1.557 176.403 174.900 -0.091 0.000 1.171 782 G CA 0.766 45.828 45.100 -0.062 0.000 0.775 782 G HN 0.656 nan 8.290 nan 0.000 0.543 783 E N -0.352 119.775 120.200 -0.121 0.000 2.152 783 E HA -0.038 4.316 4.350 0.006 0.000 0.192 783 E C 2.358 178.834 176.600 -0.206 0.000 0.983 783 E CA 0.417 56.741 56.400 -0.126 0.000 0.818 783 E CB -0.110 29.536 29.700 -0.090 0.000 0.758 783 E HN 0.339 nan 8.360 nan 0.000 0.467 784 L N 1.341 122.341 121.223 -0.372 0.000 2.141 784 L HA -0.121 4.222 4.340 0.006 0.000 0.209 784 L C 2.302 179.047 176.870 -0.209 0.000 1.094 784 L CA 1.567 56.170 54.840 -0.396 0.000 0.763 784 L CB -0.252 41.418 42.059 -0.647 0.000 0.908 784 L HN -0.084 nan 8.230 nan 0.000 0.437 785 R N -0.849 119.556 120.500 -0.158 0.000 2.070 785 R HA -0.235 4.108 4.340 0.006 0.000 0.232 785 R C 2.407 178.674 176.300 -0.055 0.000 1.138 785 R CA 2.000 58.053 56.100 -0.078 0.000 0.936 785 R CB -0.368 29.907 30.300 -0.041 0.000 0.839 785 R HN 0.565 nan 8.270 nan 0.000 0.429 786 Q N -0.110 119.658 119.800 -0.052 0.000 2.030 786 Q HA -0.211 4.133 4.340 0.006 0.000 0.204 786 Q C 1.939 177.918 176.000 -0.034 0.000 0.986 786 Q CA 2.310 58.094 55.803 -0.032 0.000 0.843 786 Q CB -0.285 28.438 28.738 -0.024 0.000 0.904 786 Q HN 0.467 nan 8.270 nan 0.000 0.420 787 A N 0.018 122.807 122.820 -0.053 0.000 1.892 787 A HA -0.189 4.135 4.320 0.006 0.000 0.218 787 A C 2.062 179.626 177.584 -0.034 0.000 1.188 787 A CA 2.101 54.111 52.037 -0.044 0.000 0.631 787 A CB -1.032 17.928 19.000 -0.066 0.000 0.822 787 A HN 0.640 nan 8.150 nan 0.000 0.447 788 T N -4.231 110.295 114.554 -0.046 0.000 3.251 788 T HA 0.448 4.801 4.350 0.006 0.000 0.259 788 T C 1.115 175.810 174.700 -0.008 0.000 0.998 788 T CA 0.847 62.932 62.100 -0.024 0.000 0.905 788 T CB -0.270 68.579 68.868 -0.032 0.000 1.067 788 T HN 1.709 nan 8.240 nan 0.000 0.569 789 G N 0.775 109.570 108.800 -0.008 0.000 2.212 789 G HA2 -0.031 3.932 3.960 0.006 0.000 0.267 789 G HA3 -0.031 3.932 3.960 0.006 0.000 0.267 789 G C 1.170 176.071 174.900 0.002 0.000 1.002 789 G CA 0.481 45.582 45.100 0.001 0.000 0.729 789 G HN 1.885 nan 8.290 nan 0.000 0.517 790 G N -1.910 106.887 108.800 -0.005 0.000 2.176 790 G HA2 -0.314 3.650 3.960 0.006 0.000 0.253 790 G HA3 -0.314 3.650 3.960 0.006 0.000 0.253 790 G C 1.038 175.943 174.900 0.008 0.000 0.979 790 G CA 1.202 46.303 45.100 0.002 0.000 0.641 790 G HN 0.787 nan 8.290 nan 0.000 0.530 791 Q N -0.011 119.793 119.800 0.008 0.000 2.378 791 Q HA 0.326 4.669 4.340 0.006 0.000 0.205 791 Q C 1.636 177.649 176.000 0.022 0.000 0.954 791 Q CA 1.078 56.887 55.803 0.011 0.000 0.901 791 Q CB 0.086 28.836 28.738 0.021 0.000 0.981 791 Q HN 1.001 nan 8.270 nan 0.000 0.483 792 A N 0.720 123.554 122.820 0.023 0.000 2.354 792 A HA 0.379 4.703 4.320 0.006 0.000 0.269 792 A C -0.917 176.737 177.584 0.116 0.000 1.109 792 A CA -0.264 51.797 52.037 0.040 0.000 0.800 792 A CB 0.139 19.126 19.000 -0.022 0.000 1.045 792 A HN 0.190 nan 8.150 nan 0.000 0.489 793 F N 4.317 124.233 119.950 -0.055 0.000 2.443 793 F HA 0.485 5.016 4.527 0.006 0.000 0.369 793 F C -2.541 173.236 175.800 -0.038 0.000 1.090 793 F CA -2.845 55.126 58.000 -0.049 0.000 1.129 793 F CB 1.559 40.526 39.000 -0.054 0.000 1.367 793 F HN 0.285 nan 8.300 nan 0.000 0.465 794 P HA 0.265 nan 4.420 nan 0.000 0.275 794 P C -1.504 175.535 177.300 -0.436 0.000 1.228 794 P CA -0.215 62.719 63.100 -0.276 0.000 0.786 794 P CB 0.877 32.500 31.700 -0.129 0.000 0.927 795 Q N 1.625 121.253 119.800 -0.286 0.000 2.406 795 Q HA 0.419 4.763 4.340 0.006 0.000 0.244 795 Q C -1.152 174.709 176.000 -0.231 0.000 0.884 795 Q CA -0.317 55.317 55.803 -0.281 0.000 0.813 795 Q CB 0.854 29.451 28.738 -0.234 0.000 1.368 795 Q HN 0.457 nan 8.270 nan 0.000 0.439 796 M N 0.911 120.339 119.600 -0.287 0.000 2.602 796 M HA 0.885 5.368 4.480 0.006 0.000 0.312 796 M C -1.418 174.713 176.300 -0.282 0.000 1.181 796 M CA -1.079 54.019 55.300 -0.336 0.000 0.910 796 M CB 2.199 34.440 32.600 -0.597 0.000 1.723 796 M HN 0.305 nan 8.290 nan 0.000 0.459 797 V N 1.999 121.850 119.914 -0.105 0.000 3.159 797 V HA 0.621 4.744 4.120 0.006 0.000 0.308 797 V C -1.653 174.651 176.094 0.351 0.000 1.190 797 V CA -0.750 61.603 62.300 0.088 0.000 1.037 797 V CB 2.641 34.492 31.823 0.047 0.000 1.060 797 V HN 0.842 nan 8.190 nan 0.000 0.437 798 F N 3.145 123.224 119.950 0.215 0.000 2.484 798 F HA 0.397 4.927 4.527 0.006 0.000 0.360 798 F C 0.675 176.458 175.800 -0.028 0.000 1.101 798 F CA 0.752 58.769 58.000 0.028 0.000 1.251 798 F CB 1.389 40.308 39.000 -0.135 0.000 1.132 798 F HN 0.776 nan 8.300 nan 0.000 0.570 799 D N 1.699 121.483 120.400 -1.027 0.000 2.929 799 D HA 0.124 4.767 4.640 0.006 0.000 0.291 799 D C -0.750 175.046 176.300 -0.841 0.000 1.086 799 D CA 0.974 54.595 54.000 -0.631 0.000 0.971 799 D CB 0.283 41.002 40.800 -0.135 0.000 1.275 799 D HN 0.757 nan 8.370 nan 0.000 0.469 800 H N -4.074 114.195 119.070 -1.334 0.000 2.932 800 H HA 0.473 5.032 4.556 0.006 0.000 0.307 800 H C -1.756 173.176 175.328 -0.660 0.000 1.391 800 H CA -1.278 54.283 56.048 -0.812 0.000 1.130 800 H CB 0.075 29.581 29.762 -0.426 0.000 1.836 800 H HN -0.082 nan 8.280 nan 0.000 0.522 801 W N 0.959 122.273 121.300 0.024 0.000 2.433 801 W HA 0.572 5.236 4.660 0.006 0.000 0.315 801 W C -0.029 176.539 176.519 0.082 0.000 1.087 801 W CA -0.736 56.651 57.345 0.071 0.000 1.205 801 W CB 2.137 31.691 29.460 0.157 0.000 1.288 801 W HN 0.604 nan 8.180 nan 0.000 0.504 802 S N 2.452 118.306 115.700 0.258 0.000 2.498 802 S HA 0.402 4.876 4.470 0.006 0.000 0.317 802 S C -0.293 174.430 174.600 0.206 0.000 1.090 802 S CA -0.561 57.759 58.200 0.200 0.000 1.089 802 S CB 0.554 63.815 63.200 0.100 0.000 0.997 802 S HN 0.315 nan 8.310 nan 0.000 0.470 803 T N 6.675 121.332 114.554 0.170 0.000 2.752 803 T HA 0.248 4.601 4.350 0.006 0.000 0.295 803 T C 0.304 175.070 174.700 0.110 0.000 0.923 803 T CA -0.164 62.020 62.100 0.141 0.000 1.112 803 T CB -0.184 68.746 68.868 0.105 0.000 0.884 803 T HN 0.556 nan 8.240 nan 0.000 0.525 804 L N 3.085 124.376 121.223 0.113 0.000 2.456 804 L HA 0.230 4.574 4.340 0.006 0.000 0.272 804 L C 1.887 178.788 176.870 0.051 0.000 1.189 804 L CA -0.376 54.511 54.840 0.079 0.000 0.846 804 L CB 0.164 42.264 42.059 0.069 0.000 1.111 804 L HN 0.793 nan 8.230 nan 0.000 0.475 805 G N 2.128 110.951 108.800 0.039 0.000 2.434 805 G HA2 -0.175 3.789 3.960 0.006 0.000 0.214 805 G HA3 -0.175 3.789 3.960 0.006 0.000 0.214 805 G C 0.853 175.761 174.900 0.014 0.000 1.202 805 G CA 0.493 45.608 45.100 0.026 0.000 0.788 805 G HN 0.725 nan 8.290 nan 0.000 0.539 806 S N 0.548 116.254 115.700 0.009 0.000 2.549 806 S HA 0.049 4.522 4.470 0.006 0.000 0.278 806 S C -0.163 174.431 174.600 -0.010 0.000 1.344 806 S CA -0.058 58.141 58.200 -0.003 0.000 1.025 806 S CB 0.903 64.097 63.200 -0.009 0.000 0.851 806 S HN 0.276 nan 8.310 nan 0.000 0.530 807 D N 2.019 122.411 120.400 -0.015 0.000 2.336 807 D HA 0.264 4.908 4.640 0.006 0.000 0.249 807 D C -0.935 175.345 176.300 -0.033 0.000 1.213 807 D CA -2.389 51.601 54.000 -0.016 0.000 0.870 807 D CB 1.007 41.801 40.800 -0.009 0.000 1.076 807 D HN 0.248 nan 8.370 nan 0.000 0.483 808 P HA -0.154 nan 4.420 nan 0.000 0.219 808 P C 1.515 178.777 177.300 -0.063 0.000 1.146 808 P CA 0.828 63.879 63.100 -0.082 0.000 0.808 808 P CB 0.316 31.977 31.700 -0.065 0.000 0.779 809 L N -0.551 120.661 121.223 -0.019 0.000 2.217 809 L HA -0.002 4.341 4.340 0.006 0.000 0.211 809 L C 1.190 178.052 176.870 -0.012 0.000 1.107 809 L CA 0.652 55.491 54.840 -0.002 0.000 0.783 809 L CB -0.985 41.091 42.059 0.027 0.000 0.919 809 L HN 0.007 nan 8.230 nan 0.000 0.442 810 D N 0.610 120.998 120.400 -0.020 0.000 2.339 810 D HA 0.127 4.770 4.640 0.006 0.000 0.241 810 D C -1.732 174.547 176.300 -0.034 0.000 1.183 810 D CA -2.287 51.701 54.000 -0.020 0.000 0.859 810 D CB 1.520 42.312 40.800 -0.015 0.000 1.067 810 D HN -0.178 nan 8.370 nan 0.000 0.484 811 P HA -0.130 nan 4.420 nan 0.000 0.218 811 P C 0.942 178.219 177.300 -0.038 0.000 1.146 811 P CA 1.197 64.273 63.100 -0.040 0.000 0.813 811 P CB 0.316 32.000 31.700 -0.028 0.000 0.778 812 T N -1.441 113.096 114.554 -0.028 0.000 3.035 812 T HA 0.015 4.368 4.350 0.006 0.000 0.259 812 T C 1.060 175.746 174.700 -0.024 0.000 1.078 812 T CA 0.446 62.533 62.100 -0.022 0.000 1.132 812 T CB -0.448 68.412 68.868 -0.014 0.000 0.900 812 T HN 0.247 nan 8.240 nan 0.000 0.480 813 S N 1.107 116.790 115.700 -0.028 0.000 2.592 813 S HA 0.082 4.556 4.470 0.006 0.000 0.256 813 S C 1.226 175.805 174.600 -0.035 0.000 1.369 813 S CA -0.194 57.990 58.200 -0.027 0.000 0.984 813 S CB 0.704 63.886 63.200 -0.029 0.000 0.919 813 S HN 0.294 nan 8.310 nan 0.000 0.576 814 K N 0.174 120.558 120.400 -0.027 0.000 2.167 814 K HA 0.061 4.385 4.320 0.006 0.000 0.203 814 K C 2.183 178.748 176.600 -0.058 0.000 1.052 814 K CA 0.932 57.203 56.287 -0.027 0.000 0.956 814 K CB -0.633 31.865 32.500 -0.003 0.000 0.735 814 K HN 0.726 nan 8.250 nan 0.000 0.451 815 A N 0.412 123.187 122.820 -0.075 0.000 1.878 815 A HA 0.050 4.373 4.320 0.006 0.000 0.213 815 A C 2.297 179.760 177.584 -0.202 0.000 1.192 815 A CA 1.329 53.283 52.037 -0.139 0.000 0.619 815 A CB -0.980 17.958 19.000 -0.103 0.000 0.837 815 A HN 0.445 nan 8.150 nan 0.000 0.446 816 G N -0.164 108.551 108.800 -0.141 0.000 2.450 816 G HA2 -0.293 3.670 3.960 0.006 0.000 0.220 816 G HA3 -0.293 3.670 3.960 0.006 0.000 0.220 816 G C 1.421 176.233 174.900 -0.148 0.000 1.130 816 G CA 1.282 46.296 45.100 -0.143 0.000 0.760 816 G HN 0.685 nan 8.290 nan 0.000 0.557 817 E N 0.128 120.258 120.200 -0.117 0.000 2.031 817 E HA -0.119 4.235 4.350 0.006 0.000 0.193 817 E C 2.487 179.005 176.600 -0.136 0.000 0.994 817 E CA 0.904 57.247 56.400 -0.095 0.000 0.800 817 E CB -0.225 29.440 29.700 -0.059 0.000 0.752 817 E HN 0.496 nan 8.360 nan 0.000 0.447 818 I N 0.532 120.987 120.570 -0.192 0.000 2.091 818 I HA -0.319 3.854 4.170 0.006 0.000 0.239 818 I C 2.466 178.357 176.117 -0.377 0.000 1.061 818 I CA 1.107 62.245 61.300 -0.271 0.000 1.317 818 I CB -0.471 37.266 38.000 -0.439 0.000 1.031 818 I HN 0.116 nan 8.210 nan 0.000 0.401 819 V N 0.910 120.490 119.914 -0.558 0.000 2.231 819 V HA -0.327 3.796 4.120 0.006 0.000 0.250 819 V C 2.450 178.381 176.094 -0.272 0.000 1.058 819 V CA 2.232 64.133 62.300 -0.664 0.000 1.022 819 V CB -0.727 30.765 31.823 -0.553 0.000 0.640 819 V HN 0.389 nan 8.190 nan 0.000 0.445 820 L N 0.806 121.928 121.223 -0.169 0.000 1.970 820 L HA -0.155 4.189 4.340 0.006 0.000 0.212 820 L C 2.485 179.326 176.870 -0.048 0.000 1.071 820 L CA 2.608 57.403 54.840 -0.076 0.000 0.751 820 L CB -1.257 40.766 42.059 -0.061 0.000 0.889 820 L HN 0.245 nan 8.230 nan 0.000 0.432 821 A N -0.205 122.579 122.820 -0.061 0.000 1.869 821 A HA -0.289 4.034 4.320 0.006 0.000 0.218 821 A C 2.498 180.067 177.584 -0.026 0.000 1.203 821 A CA 3.014 55.029 52.037 -0.038 0.000 0.638 821 A CB -1.580 17.398 19.000 -0.037 0.000 0.831 821 A HN 0.710 nan 8.150 nan 0.000 0.450 822 A N -0.306 122.511 122.820 -0.005 0.000 1.892 822 A HA -0.246 4.077 4.320 0.006 0.000 0.218 822 A C 2.237 179.865 177.584 0.073 0.000 1.188 822 A CA 1.869 53.947 52.037 0.068 0.000 0.631 822 A CB -0.607 18.607 19.000 0.356 0.000 0.822 822 A HN 0.622 nan 8.150 nan 0.000 0.447 823 R N -0.230 120.353 120.500 0.139 0.000 2.091 823 R HA -0.144 4.199 4.340 0.006 0.000 0.238 823 R C 2.232 178.595 176.300 0.104 0.000 1.136 823 R CA 1.640 57.842 56.100 0.170 0.000 0.959 823 R CB -0.410 29.960 30.300 0.117 0.000 0.856 823 R HN 0.547 nan 8.270 nan 0.000 0.437 824 K N 0.570 120.995 120.400 0.040 0.000 2.002 824 K HA -0.159 4.164 4.320 0.006 0.000 0.209 824 K C 2.243 178.847 176.600 0.006 0.000 1.048 824 K CA 1.230 57.530 56.287 0.021 0.000 0.930 824 K CB -0.228 32.272 32.500 0.001 0.000 0.714 824 K HN 0.082 nan 8.250 nan 0.000 0.438 825 R N 0.663 121.134 120.500 -0.049 0.000 2.113 825 R HA -0.195 4.149 4.340 0.006 0.000 0.244 825 R C 1.845 178.094 176.300 -0.085 0.000 1.142 825 R CA 1.685 57.719 56.100 -0.112 0.000 0.953 825 R CB -0.179 29.988 30.300 -0.221 0.000 0.860 825 R HN 0.341 nan 8.270 nan 0.000 0.438 826 H N -0.884 118.217 119.070 0.052 0.000 2.556 826 H HA 0.119 4.679 4.556 0.006 0.000 0.268 826 H C 0.857 176.205 175.328 0.033 0.000 0.996 826 H CA 0.892 56.966 56.048 0.044 0.000 1.157 826 H CB 0.099 29.895 29.762 0.058 0.000 1.355 826 H HN 0.582 nan 8.280 nan 0.000 0.597 827 G N 1.281 110.154 108.800 0.122 0.000 2.323 827 G HA2 -0.314 3.649 3.960 0.006 0.000 0.292 827 G HA3 -0.314 3.649 3.960 0.006 0.000 0.292 827 G C 0.328 175.276 174.900 0.080 0.000 1.040 827 G CA 0.633 45.780 45.100 0.079 0.000 0.942 827 G HN 0.288 nan 8.290 nan 0.000 0.506 828 M N -1.303 118.356 119.600 0.099 0.000 2.513 828 M HA 0.482 4.965 4.480 0.006 0.000 0.250 828 M C 0.840 177.175 176.300 0.058 0.000 1.145 828 M CA -0.828 54.521 55.300 0.082 0.000 0.948 828 M CB 0.710 33.374 32.600 0.107 0.000 1.405 828 M HN 0.065 nan 8.290 nan 0.000 0.546 829 K N 0.970 121.399 120.400 0.049 0.000 2.368 829 K HA 0.011 4.335 4.320 0.006 0.000 0.282 829 K C 0.565 177.186 176.600 0.036 0.000 1.035 829 K CA 0.176 56.483 56.287 0.033 0.000 0.973 829 K CB 0.635 33.150 32.500 0.025 0.000 0.957 829 K HN 0.511 nan 8.250 nan 0.000 0.474 830 E N 2.279 122.494 120.200 0.024 0.000 2.086 830 E HA -0.223 4.131 4.350 0.006 0.000 0.200 830 E C -0.246 176.364 176.600 0.017 0.000 1.012 830 E CA 1.492 57.903 56.400 0.019 0.000 0.812 830 E CB 0.025 29.730 29.700 0.007 0.000 0.743 830 E HN 0.592 nan 8.360 nan 0.000 0.453 831 E N 0.426 120.634 120.200 0.015 0.000 2.373 831 E HA 0.141 4.494 4.350 0.006 0.000 0.263 831 E C -0.691 175.928 176.600 0.031 0.000 1.073 831 E CA -0.214 56.195 56.400 0.014 0.000 0.894 831 E CB 1.122 30.826 29.700 0.007 0.000 1.008 831 E HN -0.146 nan 8.360 nan 0.000 0.420 832 V N 3.734 123.671 119.914 0.037 0.000 2.498 832 V HA 0.198 4.321 4.120 0.006 0.000 0.279 832 V C -1.975 174.168 176.094 0.081 0.000 1.048 832 V CA -1.686 60.654 62.300 0.067 0.000 0.967 832 V CB 0.652 32.517 31.823 0.070 0.000 0.988 832 V HN 0.634 nan 8.190 nan 0.000 0.473 833 P HA 0.137 nan 4.420 nan 0.000 0.262 833 P C 0.373 177.764 177.300 0.152 0.000 1.182 833 P CA 0.389 63.562 63.100 0.121 0.000 0.761 833 P CB 0.362 32.213 31.700 0.252 0.000 0.795 834 G N 2.637 111.468 108.800 0.052 0.000 2.572 834 G HA2 0.095 4.058 3.960 0.006 0.000 0.261 834 G HA3 0.095 4.058 3.960 0.006 0.000 0.261 834 G C 0.847 175.827 174.900 0.133 0.000 1.197 834 G CA -0.677 44.451 45.100 0.046 0.000 0.870 834 G HN 0.726 nan 8.290 nan 0.000 0.548 835 W N 0.004 121.401 121.300 0.162 0.000 2.465 835 W HA -0.083 4.580 4.660 0.006 0.000 0.268 835 W C 1.442 178.091 176.519 0.217 0.000 1.242 835 W CA 0.645 58.136 57.345 0.242 0.000 1.248 835 W CB -0.626 28.936 29.460 0.170 0.000 1.118 835 W HN 0.515 nan 8.180 nan 0.000 0.587 836 Q N 1.359 120.737 119.800 -0.704 0.000 2.152 836 Q HA -0.198 4.146 4.340 0.006 0.000 0.206 836 Q C 2.112 177.997 176.000 -0.192 0.000 0.985 836 Q CA 2.656 58.077 55.803 -0.638 0.000 0.863 836 Q CB -0.554 27.747 28.738 -0.729 0.000 0.904 836 Q HN 0.433 nan 8.270 nan 0.000 0.422 837 E N -1.048 119.027 120.200 -0.209 0.000 2.160 837 E HA -0.196 4.157 4.350 0.006 0.000 0.195 837 E C 1.262 177.658 176.600 -0.340 0.000 0.991 837 E CA 1.148 57.355 56.400 -0.321 0.000 0.810 837 E CB -0.026 29.367 29.700 -0.512 0.000 0.742 837 E HN 0.547 nan 8.360 nan 0.000 0.466 838 Y N -1.711 118.679 120.300 0.150 0.000 2.509 838 Y HA 0.045 4.599 4.550 0.006 0.000 0.270 838 Y C 1.034 177.055 175.900 0.201 0.000 1.103 838 Y CA -0.416 57.793 58.100 0.181 0.000 1.278 838 Y CB 0.067 38.683 38.460 0.260 0.000 1.087 838 Y HN -0.014 nan 8.280 nan 0.000 0.542 839 Y N 1.933 122.393 120.300 0.267 0.000 2.335 839 Y HA -0.004 4.550 4.550 0.006 0.000 0.348 839 Y C 0.689 176.647 175.900 0.096 0.000 1.280 839 Y CA -0.650 57.592 58.100 0.235 0.000 1.504 839 Y CB 0.245 38.914 38.460 0.349 0.000 1.366 839 Y HN -0.035 nan 8.280 nan 0.000 0.621 840 D N 2.103 122.376 120.400 -0.212 0.000 2.455 840 D HA -0.004 4.639 4.640 0.006 0.000 0.241 840 D C -0.687 175.653 176.300 0.068 0.000 1.138 840 D CA 0.125 54.056 54.000 -0.116 0.000 0.877 840 D CB 0.597 41.254 40.800 -0.237 0.000 1.187 840 D HN 0.288 nan 8.370 nan 0.000 0.451 841 K N 4.076 124.489 120.400 0.022 0.000 2.278 841 K HA 0.139 4.462 4.320 0.006 0.000 0.237 841 K C -0.426 176.191 176.600 0.028 0.000 1.229 841 K CA -0.407 55.895 56.287 0.024 0.000 1.155 841 K CB -0.180 32.312 32.500 -0.014 0.000 1.590 841 K HN 0.327 nan 8.250 nan 0.000 0.290 842 L N 0.000 121.269 121.223 0.077 0.000 2.949 842 L HA 0.000 4.344 4.340 0.006 0.000 0.249 842 L CA 0.000 54.884 54.840 0.073 0.000 0.813 842 L CB 0.000 42.125 42.059 0.110 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502