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 1zm9_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 0.000 175.866 176.094 -0.381 0.000 1.182 2 V CA 0.000 62.131 62.300 -0.282 0.000 1.235 2 V CB 0.000 31.535 31.823 -0.480 0.000 1.184 3 A N 3.354 125.922 122.820 -0.419 0.000 2.301 3 A HA 0.934 5.259 4.320 0.008 0.000 0.312 3 A C -1.317 175.994 177.584 -0.456 0.000 1.182 3 A CA -0.200 51.654 52.037 -0.305 0.000 0.826 3 A CB 0.605 19.507 19.000 -0.164 0.000 1.134 3 A HN 0.816 nan 8.150 nan 0.000 0.501 4 F N 0.206 120.124 119.950 -0.054 0.000 2.577 4 F HA 0.593 5.124 4.527 0.008 0.000 0.318 4 F C 1.021 176.795 175.800 -0.044 0.000 1.065 4 F CA -0.287 57.671 58.000 -0.070 0.000 0.929 4 F CB 2.395 41.344 39.000 -0.085 0.000 1.237 4 F HN 0.685 nan 8.300 nan 0.000 0.468 5 T N -1.688 112.986 114.554 0.200 0.000 2.881 5 T HA 0.387 4.742 4.350 0.008 0.000 0.278 5 T C 0.991 175.729 174.700 0.062 0.000 0.982 5 T CA -0.667 61.487 62.100 0.089 0.000 0.989 5 T CB 1.204 70.105 68.868 0.055 0.000 1.058 5 T HN 0.297 nan 8.240 nan 0.000 0.529 6 V N 1.338 121.272 119.914 0.033 0.000 2.392 6 V HA -0.173 3.952 4.120 0.008 0.000 0.249 6 V C 2.506 178.594 176.094 -0.009 0.000 1.059 6 V CA 2.137 64.445 62.300 0.014 0.000 1.051 6 V CB -0.821 31.007 31.823 0.009 0.000 0.658 6 V HN 0.885 nan 8.190 nan 0.000 0.455 7 D N -0.333 120.061 120.400 -0.009 0.000 2.078 7 D HA -0.204 4.441 4.640 0.008 0.000 0.193 7 D C 2.297 178.563 176.300 -0.057 0.000 0.990 7 D CA 1.523 55.507 54.000 -0.026 0.000 0.827 7 D CB -0.255 40.535 40.800 -0.016 0.000 0.975 7 D HN 0.547 nan 8.370 nan 0.000 0.451 8 Q N -0.207 119.558 119.800 -0.058 0.000 2.045 8 Q HA -0.181 4.164 4.340 0.008 0.000 0.206 8 Q C 2.333 178.172 176.000 -0.267 0.000 0.991 8 Q CA 1.206 56.913 55.803 -0.159 0.000 0.851 8 Q CB -0.133 28.543 28.738 -0.102 0.000 0.911 8 Q HN 0.254 nan 8.270 nan 0.000 0.418 9 M N 0.158 119.636 119.600 -0.205 0.000 2.065 9 M HA -0.192 4.293 4.480 0.008 0.000 0.259 9 M C 2.230 178.455 176.300 -0.124 0.000 1.069 9 M CA 1.639 56.832 55.300 -0.179 0.000 1.110 9 M CB -0.894 31.670 32.600 -0.059 0.000 1.328 9 M HN 0.083 nan 8.290 nan 0.000 0.405 10 R N 0.288 120.739 120.500 -0.081 0.000 2.094 10 R HA -0.130 4.215 4.340 0.008 0.000 0.239 10 R C 2.434 178.689 176.300 -0.076 0.000 1.137 10 R CA 2.454 58.517 56.100 -0.063 0.000 0.943 10 R CB -1.169 29.104 30.300 -0.045 0.000 0.850 10 R HN 0.375 nan 8.270 nan 0.000 0.433 11 S N -0.498 115.149 115.700 -0.089 0.000 2.374 11 S HA -0.154 4.321 4.470 0.008 0.000 0.227 11 S C 1.790 176.329 174.600 -0.102 0.000 1.037 11 S CA 1.463 59.610 58.200 -0.088 0.000 1.024 11 S CB -0.460 62.684 63.200 -0.093 0.000 0.861 11 S HN 0.362 nan 8.310 nan 0.000 0.456 12 L N 1.298 122.437 121.223 -0.140 0.000 2.141 12 L HA 0.179 4.524 4.340 0.008 0.000 0.209 12 L C 2.172 178.991 176.870 -0.084 0.000 1.094 12 L CA 1.782 56.543 54.840 -0.132 0.000 0.763 12 L CB -0.607 41.333 42.059 -0.199 0.000 0.908 12 L HN 0.407 nan 8.230 nan 0.000 0.437 13 M N -1.418 118.136 119.600 -0.076 0.000 2.619 13 M HA -0.092 4.393 4.480 0.008 0.000 0.251 13 M C 1.214 177.483 176.300 -0.051 0.000 1.106 13 M CA 0.727 55.994 55.300 -0.055 0.000 1.086 13 M CB -0.264 32.306 32.600 -0.051 0.000 1.465 13 M HN 0.207 nan 8.290 nan 0.000 0.506 14 D N 0.863 121.230 120.400 -0.055 0.000 2.271 14 D HA 0.021 4.665 4.640 0.008 0.000 0.206 14 D C 0.374 176.647 176.300 -0.045 0.000 0.967 14 D CA 0.736 54.708 54.000 -0.047 0.000 0.867 14 D CB 0.385 41.157 40.800 -0.047 0.000 0.960 14 D HN 0.302 nan 8.370 nan 0.000 0.509 15 K N 1.371 121.739 120.400 -0.053 0.000 2.363 15 K HA 0.171 4.496 4.320 0.008 0.000 0.240 15 K C 1.179 177.759 176.600 -0.034 0.000 1.169 15 K CA -0.294 55.962 56.287 -0.052 0.000 1.131 15 K CB 1.416 33.868 32.500 -0.080 0.000 1.771 15 K HN -0.143 nan 8.250 nan 0.000 0.380 16 V N 0.772 120.671 119.914 -0.024 0.000 2.453 16 V HA -0.291 3.834 4.120 0.008 0.000 0.252 16 V C 2.475 178.577 176.094 0.014 0.000 1.068 16 V CA 2.461 64.753 62.300 -0.012 0.000 1.070 16 V CB -0.977 30.832 31.823 -0.023 0.000 0.664 16 V HN 0.737 nan 8.190 nan 0.000 0.461 17 T N -1.809 112.754 114.554 0.015 0.000 2.946 17 T HA -0.154 4.201 4.350 0.008 0.000 0.271 17 T C 1.038 175.808 174.700 0.116 0.000 1.104 17 T CA 1.650 63.778 62.100 0.046 0.000 1.114 17 T CB -0.467 68.419 68.868 0.030 0.000 0.867 17 T HN 0.490 nan 8.240 nan 0.000 0.513 18 N N 0.527 119.280 118.700 0.087 0.000 2.467 18 N HA 0.440 5.185 4.740 0.008 0.000 0.278 18 N C -1.298 174.362 175.510 0.249 0.000 1.306 18 N CA -0.212 52.950 53.050 0.187 0.000 0.905 18 N CB 1.203 39.526 38.487 -0.273 0.000 1.236 18 N HN 0.249 nan 8.380 nan 0.000 0.509 19 V N 0.347 120.362 119.914 0.168 0.000 2.864 19 V HA 0.579 4.704 4.120 0.008 0.000 0.314 19 V C -0.362 175.777 176.094 0.076 0.000 1.073 19 V CA -0.864 61.499 62.300 0.106 0.000 0.956 19 V CB 2.483 34.327 31.823 0.035 0.000 1.023 19 V HN 0.093 nan 8.190 nan 0.000 0.435 20 R N 2.642 123.171 120.500 0.048 0.000 2.500 20 R HA 0.404 4.749 4.340 0.008 0.000 0.299 20 R C -1.407 174.900 176.300 0.011 0.000 1.038 20 R CA -0.573 55.534 56.100 0.013 0.000 0.903 20 R CB 1.581 31.871 30.300 -0.017 0.000 1.177 20 R HN 0.630 nan 8.270 nan 0.000 0.455 21 N N 4.421 123.121 118.700 0.001 0.000 2.462 21 N HA 0.362 5.107 4.740 0.008 0.000 0.242 21 N C -0.024 175.494 175.510 0.014 0.000 1.010 21 N CA -0.333 52.720 53.050 0.004 0.000 0.939 21 N CB 1.317 39.790 38.487 -0.023 0.000 1.127 21 N HN 0.451 nan 8.380 nan 0.000 0.509 22 M N -0.796 118.818 119.600 0.023 0.000 2.779 22 M HA 0.696 5.180 4.480 0.008 0.000 0.277 22 M C -0.237 176.080 176.300 0.028 0.000 1.284 22 M CA -0.905 54.407 55.300 0.020 0.000 0.801 22 M CB 1.373 33.975 32.600 0.003 0.000 1.712 22 M HN 0.212 nan 8.290 nan 0.000 0.453 23 S N -0.798 114.911 115.700 0.015 0.000 2.740 23 S HA 0.948 5.423 4.470 0.008 0.000 0.300 23 S C -1.241 173.355 174.600 -0.007 0.000 1.147 23 S CA -0.879 57.329 58.200 0.013 0.000 0.871 23 S CB 1.735 64.947 63.200 0.020 0.000 1.173 23 S HN 0.796 nan 8.310 nan 0.000 0.510 24 V N 1.383 121.290 119.914 -0.012 0.000 2.376 24 V HA 0.443 4.568 4.120 0.008 0.000 0.287 24 V C -1.025 175.054 176.094 -0.025 0.000 1.015 24 V CA -0.445 61.841 62.300 -0.023 0.000 0.834 24 V CB 0.794 32.603 31.823 -0.023 0.000 1.001 24 V HN 0.776 nan 8.190 nan 0.000 0.428 25 I N 4.878 125.429 120.570 -0.033 0.000 2.312 25 I HA 0.723 4.898 4.170 0.008 0.000 0.291 25 I C 0.417 176.520 176.117 -0.023 0.000 1.031 25 I CA 0.524 61.803 61.300 -0.034 0.000 1.293 25 I CB 1.139 39.110 38.000 -0.049 0.000 1.403 25 I HN 0.763 nan 8.210 nan 0.000 0.484 26 A N 4.474 127.286 122.820 -0.013 0.000 2.590 26 A HA 0.416 4.740 4.320 0.008 0.000 0.296 26 A C -1.302 176.292 177.584 0.016 0.000 1.050 26 A CA -0.696 51.356 52.037 0.025 0.000 0.697 26 A CB 0.554 19.575 19.000 0.034 0.000 1.277 26 A HN 0.713 nan 8.150 nan 0.000 0.411 27 H N 0.896 119.926 119.070 -0.065 0.000 2.732 27 H HA 0.333 4.894 4.556 0.009 0.000 0.351 27 H C 1.572 176.825 175.328 -0.124 0.000 1.090 27 H CA 0.779 56.728 56.048 -0.165 0.000 1.431 27 H CB 1.260 30.787 29.762 -0.392 0.000 1.447 27 H HN 0.851 nan 8.280 nan 0.000 0.582 28 V N 0.983 120.753 119.914 -0.239 0.000 2.392 28 V HA -0.218 3.907 4.120 0.008 0.000 0.249 28 V C 1.157 177.323 176.094 0.120 0.000 1.059 28 V CA 1.992 64.264 62.300 -0.048 0.000 1.051 28 V CB -0.226 31.537 31.823 -0.100 0.000 0.658 28 V HN 0.768 nan 8.190 nan 0.000 0.455 29 D N -0.401 120.208 120.400 0.348 0.000 2.338 29 D HA 0.038 4.683 4.640 0.008 0.000 0.239 29 D C 0.784 177.208 176.300 0.207 0.000 1.095 29 D CA 0.663 54.779 54.000 0.193 0.000 0.888 29 D CB -0.448 40.414 40.800 0.104 0.000 0.899 29 D HN 0.736 nan 8.370 nan 0.000 0.525 30 H N -0.966 118.172 119.070 0.112 0.000 2.505 30 H HA 0.297 4.857 4.556 0.008 0.000 0.260 30 H C 1.045 176.377 175.328 0.006 0.000 1.168 30 H CA -0.425 55.642 56.048 0.031 0.000 0.945 30 H CB 0.695 30.471 29.762 0.023 0.000 1.800 30 H HN 0.072 nan 8.280 nan 0.000 0.586 31 G N 2.130 111.005 108.800 0.124 0.000 2.225 31 G HA2 -0.412 3.553 3.960 0.008 0.000 0.267 31 G HA3 -0.412 3.553 3.960 0.008 0.000 0.267 31 G C 1.239 176.159 174.900 0.033 0.000 1.024 31 G CA 1.001 46.132 45.100 0.052 0.000 0.784 31 G HN 0.537 nan 8.290 nan 0.000 0.507 32 K N 0.080 120.507 120.400 0.046 0.000 2.009 32 K HA -0.097 4.228 4.320 0.008 0.000 0.210 32 K C 2.618 179.219 176.600 0.002 0.000 1.049 32 K CA 2.027 58.324 56.287 0.017 0.000 0.929 32 K CB -0.351 32.153 32.500 0.007 0.000 0.714 32 K HN 0.350 nan 8.250 nan 0.000 0.440 33 S N 0.161 115.864 115.700 0.004 0.000 2.368 33 S HA -0.099 4.375 4.470 0.008 0.000 0.224 33 S C 1.891 176.493 174.600 0.003 0.000 1.029 33 S CA 1.690 59.889 58.200 -0.001 0.000 0.988 33 S CB -0.377 62.823 63.200 0.001 0.000 0.838 33 S HN 0.478 nan 8.310 nan 0.000 0.462 34 T N 3.210 117.770 114.554 0.010 0.000 2.622 34 T HA -0.036 4.319 4.350 0.008 0.000 0.266 34 T C 1.809 176.510 174.700 0.002 0.000 1.047 34 T CA 1.151 63.257 62.100 0.010 0.000 1.159 34 T CB -0.621 68.255 68.868 0.013 0.000 0.863 34 T HN 0.211 nan 8.240 nan 0.000 0.422 35 L N 1.123 122.340 121.223 -0.011 0.000 1.990 35 L HA -0.192 4.153 4.340 0.008 0.000 0.213 35 L C 3.095 179.958 176.870 -0.013 0.000 1.072 35 L CA 1.888 56.715 54.840 -0.022 0.000 0.755 35 L CB -1.377 40.658 42.059 -0.041 0.000 0.889 35 L HN 0.492 nan 8.230 nan 0.000 0.432 36 T N -3.022 111.525 114.554 -0.011 0.000 2.665 36 T HA -0.264 4.091 4.350 0.008 0.000 0.268 36 T C 1.508 176.209 174.700 0.003 0.000 1.035 36 T CA 1.619 63.715 62.100 -0.006 0.000 1.151 36 T CB -0.610 68.252 68.868 -0.010 0.000 0.862 36 T HN 0.298 nan 8.240 nan 0.000 0.438 37 D N 1.081 121.484 120.400 0.005 0.000 2.106 37 D HA -0.129 4.516 4.640 0.008 0.000 0.191 37 D C 2.439 178.751 176.300 0.020 0.000 0.997 37 D CA 1.661 55.668 54.000 0.013 0.000 0.834 37 D CB -0.674 40.136 40.800 0.015 0.000 0.956 37 D HN 0.435 nan 8.370 nan 0.000 0.448 38 S N -0.135 115.576 115.700 0.019 0.000 2.392 38 S HA -0.191 4.284 4.470 0.008 0.000 0.232 38 S C 2.058 176.674 174.600 0.027 0.000 1.041 38 S CA 0.912 59.127 58.200 0.026 0.000 1.026 38 S CB -0.191 63.022 63.200 0.022 0.000 0.845 38 S HN 0.092 nan 8.310 nan 0.000 0.465 39 L N 0.644 121.879 121.223 0.020 0.000 2.156 39 L HA 0.022 4.367 4.340 0.008 0.000 0.208 39 L C 2.358 179.250 176.870 0.038 0.000 1.095 39 L CA 0.849 55.704 54.840 0.025 0.000 0.770 39 L CB -0.551 41.518 42.059 0.016 0.000 0.914 39 L HN 0.182 nan 8.230 nan 0.000 0.439 40 V N -0.888 119.047 119.914 0.035 0.000 2.323 40 V HA -0.278 3.847 4.120 0.008 0.000 0.244 40 V C 2.340 178.462 176.094 0.046 0.000 1.041 40 V CA 1.636 63.962 62.300 0.043 0.000 1.025 40 V CB -0.572 31.270 31.823 0.033 0.000 0.656 40 V HN 0.524 nan 8.190 nan 0.000 0.451 41 Q N -0.321 119.503 119.800 0.040 0.000 2.500 41 Q HA -0.210 4.135 4.340 0.008 0.000 0.213 41 Q C 2.093 178.120 176.000 0.044 0.000 0.974 41 Q CA 1.173 57.000 55.803 0.040 0.000 0.918 41 Q CB 0.145 28.906 28.738 0.038 0.000 0.980 41 Q HN 0.517 nan 8.270 nan 0.000 0.505 42 R N -1.068 119.461 120.500 0.049 0.000 2.167 42 R HA 0.244 4.589 4.340 0.008 0.000 0.195 42 R C 0.747 177.089 176.300 0.070 0.000 1.027 42 R CA 1.322 57.454 56.100 0.053 0.000 1.114 42 R CB -0.122 30.206 30.300 0.048 0.000 1.075 42 R HN 0.052 nan 8.270 nan 0.000 0.538 43 A N 0.015 122.884 122.820 0.081 0.000 2.571 43 A HA 0.477 4.802 4.320 0.008 0.000 0.274 43 A C 0.510 178.180 177.584 0.143 0.000 1.196 43 A CA -0.046 52.066 52.037 0.124 0.000 0.957 43 A CB 0.061 19.128 19.000 0.112 0.000 1.150 43 A HN 0.330 nan 8.150 nan 0.000 0.539 44 G N 0.514 109.376 108.800 0.104 0.000 2.272 44 G HA2 0.391 4.356 3.960 0.008 0.000 0.247 44 G HA3 0.391 4.356 3.960 0.008 0.000 0.247 44 G C -0.079 174.894 174.900 0.121 0.000 1.272 44 G CA 0.059 45.221 45.100 0.104 0.000 0.921 44 G HN 0.381 nan 8.290 nan 0.000 0.495 45 I N 2.142 122.806 120.570 0.157 0.000 2.371 45 I HA 0.216 4.390 4.170 0.008 0.000 0.290 45 I C -0.159 176.043 176.117 0.142 0.000 1.028 45 I CA -0.417 60.995 61.300 0.187 0.000 1.345 45 I CB 1.236 39.403 38.000 0.278 0.000 1.407 45 I HN 0.211 nan 8.210 nan 0.000 0.501 46 I N 5.661 126.283 120.570 0.087 0.000 2.530 46 I HA 0.253 4.428 4.170 0.008 0.000 0.297 46 I C 0.199 176.354 176.117 0.063 0.000 1.011 46 I CA -0.090 61.256 61.300 0.076 0.000 1.107 46 I CB 2.082 40.100 38.000 0.030 0.000 1.285 46 I HN 0.582 nan 8.210 nan 0.000 0.436 47 S N 5.677 121.420 115.700 0.070 0.000 2.565 47 S HA 0.807 5.282 4.470 0.008 0.000 0.274 47 S C 0.175 174.778 174.600 0.004 0.000 1.309 47 S CA -0.600 57.634 58.200 0.057 0.000 1.043 47 S CB 1.180 64.415 63.200 0.058 0.000 0.939 47 S HN 0.818 nan 8.310 nan 0.000 0.504 68 I N 3.381 124.011 120.570 0.099 0.000 2.312 68 I HA 0.377 4.552 4.170 0.008 0.000 0.290 68 I C 0.515 176.705 176.117 0.123 0.000 1.008 68 I CA -0.469 60.886 61.300 0.093 0.000 1.226 68 I CB 1.089 39.171 38.000 0.136 0.000 1.371 68 I HN 0.128 nan 8.210 nan 0.000 0.468 69 T N 4.984 119.570 114.554 0.053 0.000 2.943 69 T HA 0.835 5.190 4.350 0.008 0.000 0.284 69 T C -0.203 174.436 174.700 -0.101 0.000 1.015 69 T CA -0.647 61.464 62.100 0.017 0.000 1.042 69 T CB 2.379 71.248 68.868 0.002 0.000 1.055 69 T HN 0.600 nan 8.240 nan 0.000 0.500 70 I N -2.167 118.315 120.570 -0.146 0.000 3.264 70 I HA 0.634 4.809 4.170 0.008 0.000 0.315 70 I C -0.703 175.298 176.117 -0.194 0.000 1.154 70 I CA -1.697 59.495 61.300 -0.181 0.000 0.962 70 I CB 2.267 40.198 38.000 -0.116 0.000 1.265 70 I HN 0.606 nan 8.210 nan 0.000 0.463 71 K N 2.096 122.384 120.400 -0.188 0.000 2.284 71 K HA 0.206 4.531 4.320 0.008 0.000 0.287 71 K C -0.002 176.490 176.600 -0.180 0.000 1.081 71 K CA -0.127 56.055 56.287 -0.174 0.000 0.910 71 K CB 0.883 33.290 32.500 -0.155 0.000 1.088 71 K HN 0.709 nan 8.250 nan 0.000 0.478 72 S N 3.287 118.876 115.700 -0.184 0.000 2.998 72 S HA -0.053 4.422 4.470 0.008 0.000 0.348 72 S C 0.515 174.996 174.600 -0.198 0.000 1.210 72 S CA 0.280 58.371 58.200 -0.182 0.000 1.118 72 S CB 0.106 63.208 63.200 -0.162 0.000 0.832 72 S HN 0.742 nan 8.310 nan 0.000 0.516 73 T N 3.976 118.379 114.554 -0.252 0.000 2.987 73 T HA 0.504 4.859 4.350 0.008 0.000 0.248 73 T C 0.174 174.660 174.700 -0.355 0.000 0.997 73 T CA 0.478 62.333 62.100 -0.409 0.000 1.013 73 T CB 0.483 68.897 68.868 -0.757 0.000 1.077 73 T HN 0.776 nan 8.240 nan 0.000 0.483 74 A N 0.888 123.598 122.820 -0.182 0.000 2.520 74 A HA 0.780 5.105 4.320 0.008 0.000 0.298 74 A C -1.612 175.990 177.584 0.030 0.000 1.051 74 A CA -0.662 51.373 52.037 -0.005 0.000 0.690 74 A CB 1.146 20.270 19.000 0.206 0.000 1.281 74 A HN 0.301 nan 8.150 nan 0.000 0.402 75 I N 1.364 121.961 120.570 0.045 0.000 2.474 75 I HA 0.367 4.541 4.170 0.008 0.000 0.294 75 I C 0.139 176.306 176.117 0.083 0.000 1.005 75 I CA -0.474 60.857 61.300 0.052 0.000 1.113 75 I CB 2.302 40.322 38.000 0.034 0.000 1.289 75 I HN 0.567 nan 8.210 nan 0.000 0.436 76 S N 6.219 121.981 115.700 0.103 0.000 2.499 76 S HA 0.616 5.091 4.470 0.008 0.000 0.279 76 S C -0.538 174.150 174.600 0.147 0.000 1.219 76 S CA -0.483 57.793 58.200 0.126 0.000 1.062 76 S CB 0.919 64.205 63.200 0.143 0.000 0.978 76 S HN 0.205 nan 8.310 nan 0.000 0.489 77 L N 3.254 124.569 121.223 0.153 0.000 2.362 77 L HA 0.544 4.889 4.340 0.008 0.000 0.271 77 L C -0.829 176.191 176.870 0.249 0.000 1.002 77 L CA -0.600 54.344 54.840 0.173 0.000 0.818 77 L CB 1.310 43.432 42.059 0.106 0.000 1.298 77 L HN 0.703 nan 8.230 nan 0.000 0.420 78 Y N 1.824 122.225 120.300 0.167 0.000 2.429 78 Y HA 0.767 5.322 4.550 0.008 0.000 0.342 78 Y C -0.459 175.544 175.900 0.171 0.000 1.004 78 Y CA -0.407 57.816 58.100 0.206 0.000 1.075 78 Y CB 2.031 40.718 38.460 0.378 0.000 1.214 78 Y HN 0.578 nan 8.280 nan 0.000 0.455 79 S N 4.591 119.880 115.700 -0.686 0.000 2.533 79 S HA 0.519 4.994 4.470 0.008 0.000 0.271 79 S C -1.890 172.409 174.600 -0.502 0.000 1.143 79 S CA -0.795 57.143 58.200 -0.437 0.000 0.891 79 S CB 0.981 64.103 63.200 -0.130 0.000 1.105 79 S HN 0.786 nan 8.310 nan 0.000 0.468 80 E N 4.245 124.288 120.200 -0.263 0.000 2.277 80 E HA 0.768 5.122 4.350 0.008 0.000 0.266 80 E C -0.885 175.736 176.600 0.036 0.000 0.901 80 E CA -1.098 55.249 56.400 -0.088 0.000 0.782 80 E CB 1.775 31.473 29.700 -0.005 0.000 1.228 80 E HN 0.516 nan 8.360 nan 0.000 0.424 81 M N 0.711 120.367 119.600 0.094 0.000 2.618 81 M HA 0.371 4.856 4.480 0.008 0.000 0.281 81 M C -0.632 175.711 176.300 0.072 0.000 1.267 81 M CA -1.069 54.284 55.300 0.089 0.000 0.845 81 M CB 2.383 35.059 32.600 0.127 0.000 1.732 81 M HN 0.458 nan 8.290 nan 0.000 0.461 82 S N 0.818 116.549 115.700 0.052 0.000 2.592 82 S HA 0.089 4.564 4.470 0.008 0.000 0.271 82 S C 0.329 174.955 174.600 0.043 0.000 1.326 82 S CA -0.456 57.769 58.200 0.040 0.000 1.024 82 S CB 0.580 63.798 63.200 0.030 0.000 0.921 82 S HN 0.627 nan 8.310 nan 0.000 0.527 83 D N 1.342 121.762 120.400 0.032 0.000 2.271 83 D HA -0.147 4.498 4.640 0.008 0.000 0.207 83 D C 1.406 177.723 176.300 0.029 0.000 0.983 83 D CA 0.988 55.005 54.000 0.029 0.000 0.878 83 D CB 0.031 40.842 40.800 0.019 0.000 0.920 83 D HN 0.428 nan 8.370 nan 0.000 0.479 84 E N 0.853 121.069 120.200 0.027 0.000 2.046 84 E HA -0.113 4.242 4.350 0.008 0.000 0.190 84 E C 1.578 178.192 176.600 0.023 0.000 0.982 84 E CA 0.838 57.252 56.400 0.023 0.000 0.800 84 E CB -0.264 29.448 29.700 0.021 0.000 0.756 84 E HN 0.423 nan 8.360 nan 0.000 0.449 85 D N 0.807 121.223 120.400 0.026 0.000 2.117 85 D HA -0.097 4.548 4.640 0.008 0.000 0.198 85 D C 2.125 178.438 176.300 0.023 0.000 0.982 85 D CA 0.696 54.705 54.000 0.016 0.000 0.828 85 D CB -0.171 40.638 40.800 0.016 0.000 0.967 85 D HN 0.002 nan 8.370 nan 0.000 0.464 86 V N 1.529 121.480 119.914 0.063 0.000 2.546 86 V HA -0.252 3.873 4.120 0.008 0.000 0.254 86 V C 2.274 178.400 176.094 0.052 0.000 1.076 86 V CA 1.511 63.870 62.300 0.098 0.000 1.087 86 V CB -0.504 31.384 31.823 0.107 0.000 0.674 86 V HN 0.210 nan 8.190 nan 0.000 0.470 87 K N 0.017 120.435 120.400 0.030 0.000 2.155 87 K HA -0.113 4.212 4.320 0.008 0.000 0.203 87 K C 1.928 178.531 176.600 0.004 0.000 1.052 87 K CA 1.165 57.463 56.287 0.019 0.000 0.948 87 K CB -0.159 32.351 32.500 0.017 0.000 0.728 87 K HN 0.561 nan 8.250 nan 0.000 0.448 88 E N 0.886 121.080 120.200 -0.009 0.000 2.472 88 E HA -0.069 4.286 4.350 0.008 0.000 0.200 88 E C 0.070 176.634 176.600 -0.060 0.000 1.046 88 E CA 0.300 56.683 56.400 -0.028 0.000 0.871 88 E CB -0.111 29.567 29.700 -0.037 0.000 0.806 88 E HN 0.308 nan 8.360 nan 0.000 0.533 89 I N 2.611 123.149 120.570 -0.053 0.000 2.329 89 I HA 0.001 4.176 4.170 0.008 0.000 0.295 89 I C 0.432 176.533 176.117 -0.027 0.000 1.109 89 I CA 0.018 61.276 61.300 -0.070 0.000 1.297 89 I CB 0.414 38.387 38.000 -0.046 0.000 1.433 89 I HN -0.200 nan 8.210 nan 0.000 0.509 90 K N 8.289 128.674 120.400 -0.025 0.000 2.686 90 K HA 0.060 4.385 4.320 0.008 0.000 0.244 90 K C -0.164 176.445 176.600 0.015 0.000 1.262 90 K CA 0.010 56.300 56.287 0.005 0.000 1.199 90 K CB -0.384 32.127 32.500 0.019 0.000 1.428 90 K HN 0.663 nan 8.250 nan 0.000 0.247 91 Q N -0.570 119.240 119.800 0.016 0.000 2.599 91 Q HA 0.114 4.459 4.340 0.008 0.000 0.248 91 Q C -1.464 174.557 176.000 0.035 0.000 0.964 91 Q CA -1.024 54.796 55.803 0.028 0.000 1.011 91 Q CB 0.784 29.540 28.738 0.029 0.000 1.592 91 Q HN 0.084 nan 8.270 nan 0.000 0.443 92 K N 1.976 122.396 120.400 0.035 0.000 2.548 92 K HA 0.066 4.390 4.320 0.008 0.000 0.277 92 K C -0.605 176.026 176.600 0.052 0.000 1.001 92 K CA 1.828 58.136 56.287 0.035 0.000 1.102 92 K CB 0.294 32.810 32.500 0.027 0.000 0.848 92 K HN 0.793 nan 8.250 nan 0.000 0.487 93 T N 0.578 115.165 114.554 0.055 0.000 2.696 93 T HA 0.514 4.869 4.350 0.008 0.000 0.291 93 T C -1.345 173.368 174.700 0.021 0.000 1.095 93 T CA -0.817 61.329 62.100 0.076 0.000 1.026 93 T CB 1.623 70.587 68.868 0.161 0.000 1.390 93 T HN 0.587 nan 8.240 nan 0.000 0.513 94 D N -1.242 119.143 120.400 -0.025 0.000 2.400 94 D HA 0.486 5.130 4.640 0.008 0.000 0.197 94 D C -0.065 176.154 176.300 -0.135 0.000 1.295 94 D CA 1.149 55.114 54.000 -0.060 0.000 0.878 94 D CB 0.642 41.415 40.800 -0.045 0.000 1.659 94 D HN 1.392 nan 8.370 nan 0.000 0.546 95 G N 2.776 111.501 108.800 -0.125 0.000 2.663 95 G HA2 -0.146 3.819 3.960 0.008 0.000 0.686 95 G HA3 -0.146 3.819 3.960 0.008 0.000 0.686 95 G C 0.104 174.849 174.900 -0.258 0.000 1.288 95 G CA -0.364 44.635 45.100 -0.168 0.000 0.836 95 G HN 0.483 nan 8.290 nan 0.000 0.584 96 N N -0.394 118.177 118.700 -0.215 0.000 2.236 96 N HA 0.127 4.872 4.740 0.008 0.000 0.196 96 N C 0.612 175.920 175.510 -0.337 0.000 1.114 96 N CA 0.573 53.507 53.050 -0.193 0.000 0.859 96 N CB 0.606 39.068 38.487 -0.041 0.000 0.982 96 N HN 0.459 nan 8.380 nan 0.000 0.493 97 S N 0.582 116.029 115.700 -0.422 0.000 2.585 97 S HA 0.545 5.020 4.470 0.008 0.000 0.277 97 S C -0.615 173.551 174.600 -0.725 0.000 1.241 97 S CA -0.228 57.768 58.200 -0.339 0.000 1.041 97 S CB 0.753 63.971 63.200 0.029 0.000 0.987 97 S HN 0.024 nan 8.310 nan 0.000 0.512 98 F N 1.331 121.188 119.950 -0.155 0.000 2.581 98 F HA 0.510 5.042 4.527 0.009 0.000 0.311 98 F C -0.697 175.070 175.800 -0.055 0.000 1.113 98 F CA -0.920 57.018 58.000 -0.104 0.000 0.935 98 F CB 1.451 40.374 39.000 -0.128 0.000 1.232 98 F HN 0.296 nan 8.300 nan 0.000 0.445 99 L N 4.879 126.215 121.223 0.188 0.000 2.298 99 L HA 0.651 4.996 4.340 0.008 0.000 0.284 99 L C -1.078 175.861 176.870 0.114 0.000 1.013 99 L CA -0.405 54.521 54.840 0.143 0.000 0.824 99 L CB 0.701 42.811 42.059 0.084 0.000 1.221 99 L HN 0.486 nan 8.230 nan 0.000 0.418 100 I N 4.640 125.271 120.570 0.103 0.000 2.354 100 I HA 0.327 4.502 4.170 0.008 0.000 0.292 100 I C -0.463 175.696 176.117 0.070 0.000 0.989 100 I CA -0.487 60.853 61.300 0.066 0.000 1.188 100 I CB 1.328 39.355 38.000 0.044 0.000 1.342 100 I HN 0.606 nan 8.210 nan 0.000 0.457 101 N N 6.303 125.037 118.700 0.057 0.000 2.485 101 N HA 0.296 5.041 4.740 0.008 0.000 0.243 101 N C -0.839 174.712 175.510 0.068 0.000 0.987 101 N CA -0.510 52.582 53.050 0.071 0.000 0.940 101 N CB 1.108 39.635 38.487 0.067 0.000 1.122 101 N HN 0.354 nan 8.380 nan 0.000 0.509 102 L N 4.403 125.666 121.223 0.066 0.000 2.334 102 L HA 0.436 4.781 4.340 0.008 0.000 0.286 102 L C -0.814 176.091 176.870 0.057 0.000 1.108 102 L CA -0.167 54.702 54.840 0.049 0.000 0.875 102 L CB -0.344 41.735 42.059 0.033 0.000 1.246 102 L HN 0.487 nan 8.230 nan 0.000 0.439 103 I N 3.969 124.584 120.570 0.074 0.000 2.371 103 I HA 0.129 4.304 4.170 0.008 0.000 0.290 103 I C 0.369 176.502 176.117 0.027 0.000 1.028 103 I CA -0.536 60.818 61.300 0.090 0.000 1.345 103 I CB 0.941 39.045 38.000 0.173 0.000 1.407 103 I HN 0.561 nan 8.210 nan 0.000 0.501 104 D N 4.809 125.190 120.400 -0.031 0.000 2.423 104 D HA 0.148 4.793 4.640 0.008 0.000 0.238 104 D C -0.578 175.697 176.300 -0.041 0.000 1.142 104 D CA 0.514 54.481 54.000 -0.056 0.000 0.884 104 D CB 0.821 41.557 40.800 -0.106 0.000 1.199 104 D HN 0.452 nan 8.370 nan 0.000 0.438 105 S N 1.988 117.661 115.700 -0.046 0.000 2.671 105 S HA 0.667 5.142 4.470 0.008 0.000 0.299 105 S C -2.432 172.117 174.600 -0.084 0.000 1.116 105 S CA -1.192 56.985 58.200 -0.038 0.000 0.912 105 S CB 1.690 64.879 63.200 -0.019 0.000 1.130 105 S HN 0.420 nan 8.310 nan 0.000 0.501 106 P HA 0.336 nan 4.420 nan 0.000 0.275 106 P C 0.677 177.903 177.300 -0.123 0.000 1.266 106 P CA -0.390 62.587 63.100 -0.206 0.000 0.793 106 P CB 0.299 31.893 31.700 -0.177 0.000 1.074 107 G N -1.532 107.189 108.800 -0.132 0.000 2.490 107 G HA2 -0.022 3.943 3.960 0.008 0.000 0.211 107 G HA3 -0.022 3.943 3.960 0.008 0.000 0.211 107 G C 0.029 174.957 174.900 0.047 0.000 1.159 107 G CA 0.800 45.880 45.100 -0.033 0.000 0.819 107 G HN 0.521 nan 8.290 nan 0.000 0.539 108 H N -1.398 117.788 119.070 0.195 0.000 2.573 108 H HA 0.469 5.030 4.556 0.008 0.000 0.351 108 H C 1.126 176.629 175.328 0.292 0.000 1.163 108 H CA -0.688 55.485 56.048 0.207 0.000 1.205 108 H CB 2.281 32.184 29.762 0.236 0.000 1.605 108 H HN -0.167 nan 8.280 nan 0.000 0.525 109 V N 1.726 121.674 119.914 0.057 0.000 2.667 109 V HA -0.184 3.941 4.120 0.008 0.000 0.252 109 V C 1.289 177.538 176.094 0.257 0.000 1.065 109 V CA 1.591 64.022 62.300 0.217 0.000 1.083 109 V CB -0.334 31.580 31.823 0.152 0.000 0.692 109 V HN 0.804 nan 8.190 nan 0.000 0.468 110 D N 0.656 121.207 120.400 0.252 0.000 2.228 110 D HA -0.185 4.460 4.640 0.008 0.000 0.203 110 D C 1.483 177.686 176.300 -0.163 0.000 0.988 110 D CA 1.284 55.252 54.000 -0.052 0.000 0.864 110 D CB -0.342 40.328 40.800 -0.216 0.000 0.928 110 D HN 0.509 nan 8.370 nan 0.000 0.469 111 F N 1.526 121.524 119.950 0.080 0.000 2.738 111 F HA -0.039 4.493 4.527 0.007 0.000 0.301 111 F C 1.941 177.774 175.800 0.055 0.000 1.269 111 F CA -0.119 57.923 58.000 0.070 0.000 1.441 111 F CB -0.696 38.364 39.000 0.100 0.000 1.101 111 F HN -0.189 nan 8.300 nan 0.000 0.545 112 S N 0.255 115.991 115.700 0.061 0.000 2.412 112 S HA -0.434 4.041 4.470 0.008 0.000 0.311 112 S C 2.257 176.912 174.600 0.092 0.000 1.182 112 S CA 2.397 60.540 58.200 -0.095 0.000 1.365 112 S CB -1.255 61.650 63.200 -0.491 0.000 1.295 112 S HN 0.595 nan 8.310 nan 0.000 0.463 113 S N 2.595 118.312 115.700 0.029 0.000 2.380 113 S HA -0.258 4.217 4.470 0.008 0.000 0.229 113 S C 1.844 176.559 174.600 0.191 0.000 1.043 113 S CA 1.674 59.889 58.200 0.024 0.000 1.038 113 S CB -0.707 62.451 63.200 -0.069 0.000 0.872 113 S HN 0.913 nan 8.310 nan 0.000 0.456 114 E N 1.070 121.450 120.200 0.300 0.000 2.435 114 E HA 0.060 4.415 4.350 0.008 0.000 0.195 114 E C 1.609 178.346 176.600 0.229 0.000 1.029 114 E CA 0.414 56.998 56.400 0.307 0.000 0.865 114 E CB -0.267 29.593 29.700 0.266 0.000 0.833 114 E HN 0.377 nan 8.360 nan 0.000 0.510 115 V N 1.533 121.592 119.914 0.241 0.000 2.323 115 V HA -0.204 3.921 4.120 0.008 0.000 0.244 115 V C 2.249 178.450 176.094 0.179 0.000 1.041 115 V CA 2.166 64.592 62.300 0.210 0.000 1.025 115 V CB -0.602 31.401 31.823 0.299 0.000 0.656 115 V HN 0.390 nan 8.190 nan 0.000 0.451 116 T N 0.480 115.156 114.554 0.204 0.000 2.881 116 T HA -0.108 4.246 4.350 0.008 0.000 0.270 116 T C 2.031 176.829 174.700 0.162 0.000 1.068 116 T CA 1.375 63.570 62.100 0.157 0.000 1.131 116 T CB -0.347 68.609 68.868 0.146 0.000 0.871 116 T HN 0.550 nan 8.240 nan 0.000 0.479 117 A N 1.664 124.612 122.820 0.213 0.000 1.858 117 A HA 0.167 4.492 4.320 0.008 0.000 0.216 117 A C 2.684 180.417 177.584 0.249 0.000 1.190 117 A CA 1.781 53.984 52.037 0.277 0.000 0.617 117 A CB -1.227 17.979 19.000 0.343 0.000 0.827 117 A HN 0.499 nan 8.150 nan 0.000 0.443 118 A N -0.249 122.692 122.820 0.201 0.000 1.877 118 A HA -0.058 4.267 4.320 0.008 0.000 0.216 118 A C 2.209 179.878 177.584 0.141 0.000 1.186 118 A CA 1.541 53.683 52.037 0.176 0.000 0.620 118 A CB -0.713 18.357 19.000 0.116 0.000 0.822 118 A HN 0.473 nan 8.150 nan 0.000 0.443 119 L N -1.211 120.076 121.223 0.107 0.000 1.989 119 L HA -0.220 4.125 4.340 0.008 0.000 0.211 119 L C 2.767 179.682 176.870 0.075 0.000 1.071 119 L CA 1.944 56.827 54.840 0.071 0.000 0.749 119 L CB -0.501 41.583 42.059 0.042 0.000 0.890 119 L HN 0.430 nan 8.230 nan 0.000 0.431 120 R N 0.133 120.682 120.500 0.082 0.000 2.261 120 R HA -0.149 4.195 4.340 0.008 0.000 0.236 120 R C 1.684 178.022 176.300 0.064 0.000 1.141 120 R CA 1.475 57.598 56.100 0.038 0.000 1.001 120 R CB -0.030 30.270 30.300 -0.001 0.000 0.866 120 R HN 0.473 nan 8.270 nan 0.000 0.468 121 V N -3.050 116.933 119.914 0.115 0.000 3.578 121 V HA 0.206 4.331 4.120 0.008 0.000 0.290 121 V C 0.597 176.723 176.094 0.054 0.000 1.376 121 V CA 0.195 62.557 62.300 0.104 0.000 1.083 121 V CB 0.052 31.949 31.823 0.123 0.000 0.911 121 V HN 0.247 nan 8.190 nan 0.000 0.433 122 T N -2.936 111.659 114.554 0.067 0.000 2.948 122 T HA 0.574 4.929 4.350 0.008 0.000 0.285 122 T C 0.113 174.837 174.700 0.040 0.000 1.019 122 T CA -0.005 62.122 62.100 0.044 0.000 1.013 122 T CB 2.298 71.195 68.868 0.048 0.000 1.117 122 T HN 0.157 nan 8.240 nan 0.000 0.533 123 D N -0.083 120.333 120.400 0.027 0.000 2.461 123 D HA 0.260 4.905 4.640 0.008 0.000 0.266 123 D C 1.038 177.363 176.300 0.043 0.000 1.085 123 D CA 0.261 54.282 54.000 0.035 0.000 0.887 123 D CB 0.235 41.041 40.800 0.011 0.000 1.309 123 D HN 0.787 nan 8.370 nan 0.000 0.498 124 G N -0.207 108.607 108.800 0.023 0.000 2.667 124 G HA2 0.705 4.670 3.960 0.008 0.000 0.310 124 G HA3 0.705 4.670 3.960 0.008 0.000 0.310 124 G C -1.273 173.628 174.900 0.001 0.000 1.259 124 G CA -0.410 44.698 45.100 0.012 0.000 1.019 124 G HN 0.202 nan 8.290 nan 0.000 0.496 125 A N -0.706 122.103 122.820 -0.017 0.000 2.532 125 A HA 0.535 4.860 4.320 0.008 0.000 0.296 125 A C -1.689 175.865 177.584 -0.050 0.000 1.058 125 A CA -0.516 51.504 52.037 -0.029 0.000 0.729 125 A CB 1.693 20.674 19.000 -0.031 0.000 1.285 125 A HN 1.339 nan 8.150 nan 0.000 0.396 126 L N 3.581 124.773 121.223 -0.051 0.000 2.314 126 L HA 0.557 4.901 4.340 0.008 0.000 0.275 126 L C -0.708 176.117 176.870 -0.074 0.000 1.068 126 L CA -0.225 54.573 54.840 -0.070 0.000 0.894 126 L CB 0.794 42.816 42.059 -0.062 0.000 1.275 126 L HN 0.445 nan 8.230 nan 0.000 0.432 127 V N 5.682 125.541 119.914 -0.091 0.000 2.470 127 V HA 0.241 4.366 4.120 0.008 0.000 0.276 127 V C 0.262 176.298 176.094 -0.097 0.000 1.040 127 V CA -0.461 61.787 62.300 -0.086 0.000 1.008 127 V CB 1.109 32.873 31.823 -0.097 0.000 0.990 127 V HN 0.431 nan 8.190 nan 0.000 0.477 128 V N 6.451 126.328 119.914 -0.062 0.000 2.370 128 V HA 0.448 4.573 4.120 0.008 0.000 0.279 128 V C 0.069 176.142 176.094 -0.036 0.000 1.029 128 V CA -0.327 61.933 62.300 -0.066 0.000 0.870 128 V CB 1.656 33.459 31.823 -0.032 0.000 0.984 128 V HN 0.633 nan 8.190 nan 0.000 0.451 129 V N 3.567 123.422 119.914 -0.099 0.000 2.815 129 V HA 0.451 4.576 4.120 0.008 0.000 0.314 129 V C -0.465 175.512 176.094 -0.195 0.000 1.064 129 V CA -0.761 61.479 62.300 -0.099 0.000 0.952 129 V CB 2.372 34.133 31.823 -0.104 0.000 1.020 129 V HN 0.960 nan 8.190 nan 0.000 0.439 130 D N 1.130 121.348 120.400 -0.303 0.000 2.175 130 D HA 0.333 4.977 4.640 0.008 0.000 0.248 130 D C 1.052 177.265 176.300 -0.145 0.000 1.047 130 D CA -0.022 53.744 54.000 -0.390 0.000 0.883 130 D CB 2.033 42.352 40.800 -0.802 0.000 1.180 130 D HN 0.556 nan 8.370 nan 0.000 0.438 131 T N 2.856 117.377 114.554 -0.055 0.000 2.643 131 T HA -0.127 4.228 4.350 0.008 0.000 0.264 131 T C 1.888 176.626 174.700 0.064 0.000 1.045 131 T CA 1.083 63.246 62.100 0.105 0.000 1.155 131 T CB -0.248 68.736 68.868 0.193 0.000 0.863 131 T HN 0.436 nan 8.240 nan 0.000 0.420 132 I N 0.804 121.383 120.570 0.015 0.000 2.133 132 I HA -0.124 4.051 4.170 0.008 0.000 0.238 132 I C 2.642 178.761 176.117 0.003 0.000 1.074 132 I CA 1.455 62.764 61.300 0.014 0.000 1.342 132 I CB -0.368 37.638 38.000 0.010 0.000 1.053 132 I HN 0.310 nan 8.210 nan 0.000 0.404 133 E N 0.612 120.798 120.200 -0.024 0.000 2.208 133 E HA 0.052 4.407 4.350 0.008 0.000 0.193 133 E C 1.353 177.950 176.600 -0.004 0.000 0.988 133 E CA 0.574 56.970 56.400 -0.007 0.000 0.828 133 E CB -0.041 29.670 29.700 0.018 0.000 0.763 133 E HN 0.606 nan 8.360 nan 0.000 0.478 134 G N 0.867 109.649 108.800 -0.030 0.000 2.509 134 G HA2 -0.316 3.648 3.960 0.008 0.000 0.259 134 G HA3 -0.316 3.648 3.960 0.008 0.000 0.259 134 G C -0.092 174.804 174.900 -0.007 0.000 1.169 134 G CA -0.189 44.904 45.100 -0.012 0.000 0.953 134 G HN 0.135 nan 8.290 nan 0.000 0.563 135 V N 1.867 121.785 119.914 0.008 0.000 2.353 135 V HA 0.421 4.546 4.120 0.008 0.000 0.264 135 V C 1.489 177.603 176.094 0.034 0.000 1.049 135 V CA -0.148 62.162 62.300 0.017 0.000 0.896 135 V CB -0.223 31.599 31.823 -0.002 0.000 1.025 135 V HN 1.347 nan 8.190 nan 0.000 0.475 136 C N 4.813 124.153 119.300 0.065 0.000 2.595 136 C HA 0.500 4.965 4.460 0.008 0.000 0.384 136 C C 1.913 176.915 174.990 0.020 0.000 1.289 136 C CA -0.377 58.666 59.018 0.042 0.000 2.372 136 C CB 0.589 28.343 27.740 0.024 0.000 2.593 136 C HN 0.629 nan 8.230 nan 0.000 0.639 137 V N 1.882 121.803 119.914 0.010 0.000 2.231 137 V HA -0.306 3.819 4.120 0.008 0.000 0.250 137 V C 2.799 178.892 176.094 -0.002 0.000 1.058 137 V CA 2.800 65.103 62.300 0.004 0.000 1.022 137 V CB -1.510 30.318 31.823 0.009 0.000 0.640 137 V HN 1.085 nan 8.190 nan 0.000 0.445 138 Q N 0.081 119.889 119.800 0.013 0.000 2.029 138 Q HA -0.286 4.059 4.340 0.008 0.000 0.209 138 Q C 2.180 178.166 176.000 -0.023 0.000 0.999 138 Q CA 3.036 58.841 55.803 0.003 0.000 0.857 138 Q CB -0.535 28.221 28.738 0.031 0.000 0.926 138 Q HN 0.642 nan 8.270 nan 0.000 0.415 139 T N 0.703 115.258 114.554 0.002 0.000 2.803 139 T HA -0.197 4.158 4.350 0.008 0.000 0.269 139 T C 1.511 176.177 174.700 -0.056 0.000 1.052 139 T CA 1.447 63.537 62.100 -0.017 0.000 1.136 139 T CB -0.255 68.629 68.868 0.027 0.000 0.864 139 T HN 0.461 nan 8.240 nan 0.000 0.467 140 E N 0.384 120.556 120.200 -0.048 0.000 2.077 140 E HA -0.154 4.200 4.350 0.008 0.000 0.193 140 E C 2.155 178.675 176.600 -0.134 0.000 0.989 140 E CA 1.395 57.753 56.400 -0.069 0.000 0.800 140 E CB -0.038 29.638 29.700 -0.041 0.000 0.746 140 E HN 0.393 nan 8.360 nan 0.000 0.452 141 T N 0.446 114.915 114.554 -0.143 0.000 2.674 141 T HA -0.128 4.226 4.350 0.008 0.000 0.265 141 T C 1.951 176.436 174.700 -0.358 0.000 1.039 141 T CA 1.450 63.408 62.100 -0.236 0.000 1.150 141 T CB -0.233 68.535 68.868 -0.166 0.000 0.864 141 T HN 0.034 nan 8.240 nan 0.000 0.427 142 V N 1.718 121.455 119.914 -0.294 0.000 2.392 142 V HA -0.118 4.007 4.120 0.008 0.000 0.249 142 V C 2.412 178.362 176.094 -0.240 0.000 1.059 142 V CA 1.198 63.313 62.300 -0.308 0.000 1.051 142 V CB -0.774 30.947 31.823 -0.171 0.000 0.658 142 V HN 0.307 nan 8.190 nan 0.000 0.455 143 L N 0.149 121.262 121.223 -0.184 0.000 2.042 143 L HA -0.150 4.195 4.340 0.008 0.000 0.210 143 L C 2.555 179.317 176.870 -0.180 0.000 1.076 143 L CA 1.897 56.650 54.840 -0.146 0.000 0.749 143 L CB -0.702 41.291 42.059 -0.110 0.000 0.893 143 L HN 0.163 nan 8.230 nan 0.000 0.432 144 R N -1.065 119.274 120.500 -0.268 0.000 2.080 144 R HA -0.186 4.159 4.340 0.008 0.000 0.236 144 R C 2.271 178.403 176.300 -0.279 0.000 1.137 144 R CA 1.783 57.662 56.100 -0.369 0.000 0.943 144 R CB -0.363 29.578 30.300 -0.599 0.000 0.846 144 R HN 0.490 nan 8.270 nan 0.000 0.431 145 Q N -0.094 119.514 119.800 -0.319 0.000 2.061 145 Q HA -0.154 4.191 4.340 0.008 0.000 0.204 145 Q C 2.140 178.055 176.000 -0.142 0.000 0.984 145 Q CA 1.841 57.491 55.803 -0.254 0.000 0.846 145 Q CB -0.479 28.029 28.738 -0.383 0.000 0.902 145 Q HN 0.360 nan 8.270 nan 0.000 0.421 146 A N 1.008 123.748 122.820 -0.133 0.000 1.883 146 A HA -0.170 4.155 4.320 0.008 0.000 0.217 146 A C 2.293 179.849 177.584 -0.046 0.000 1.186 146 A CA 1.376 53.370 52.037 -0.071 0.000 0.624 146 A CB -0.842 18.117 19.000 -0.069 0.000 0.822 146 A HN 0.338 nan 8.150 nan 0.000 0.444 147 L N -0.757 120.430 121.223 -0.059 0.000 2.131 147 L HA -0.133 4.212 4.340 0.008 0.000 0.210 147 L C 2.739 179.603 176.870 -0.010 0.000 1.092 147 L CA 0.942 55.767 54.840 -0.026 0.000 0.759 147 L CB -0.712 41.343 42.059 -0.005 0.000 0.903 147 L HN 0.513 nan 8.230 nan 0.000 0.435 148 G N -0.750 108.032 108.800 -0.029 0.000 2.443 148 G HA2 -0.173 3.791 3.960 0.008 0.000 0.219 148 G HA3 -0.173 3.791 3.960 0.008 0.000 0.219 148 G C 1.364 176.265 174.900 0.002 0.000 1.131 148 G CA 0.271 45.363 45.100 -0.012 0.000 0.775 148 G HN 0.299 nan 8.290 nan 0.000 0.547 149 E N 0.128 120.330 120.200 0.003 0.000 2.479 149 E HA 0.094 4.449 4.350 0.008 0.000 0.193 149 E C 0.371 177.007 176.600 0.060 0.000 1.049 149 E CA -0.268 56.144 56.400 0.020 0.000 0.870 149 E CB 0.212 29.921 29.700 0.014 0.000 0.944 149 E HN 0.368 nan 8.360 nan 0.000 0.492 150 R N 0.852 121.389 120.500 0.062 0.000 3.246 150 R HA -0.118 4.227 4.340 0.008 0.000 0.260 150 R C -0.324 176.065 176.300 0.149 0.000 1.034 150 R CA 0.349 56.515 56.100 0.111 0.000 0.691 150 R CB -1.932 28.508 30.300 0.233 0.000 1.186 150 R HN 0.122 nan 8.270 nan 0.000 0.416 151 I N 0.909 121.520 120.570 0.068 0.000 2.353 151 I HA 0.224 4.398 4.170 0.008 0.000 0.293 151 I C 0.911 177.043 176.117 0.026 0.000 0.992 151 I CA -0.447 60.887 61.300 0.056 0.000 1.268 151 I CB 1.517 39.529 38.000 0.019 0.000 1.387 151 I HN 0.044 nan 8.210 nan 0.000 0.478 152 K N 8.112 128.533 120.400 0.035 0.000 2.276 152 K HA 0.366 4.691 4.320 0.008 0.000 0.285 152 K C -2.449 174.131 176.600 -0.034 0.000 1.062 152 K CA -1.341 54.943 56.287 -0.004 0.000 0.918 152 K CB 1.234 33.745 32.500 0.019 0.000 1.055 152 K HN 0.331 nan 8.250 nan 0.000 0.477 153 P HA 0.247 nan 4.420 nan 0.000 0.282 153 P C -1.022 176.204 177.300 -0.122 0.000 1.259 153 P CA -0.620 62.425 63.100 -0.092 0.000 0.826 153 P CB 1.636 33.272 31.700 -0.107 0.000 1.064 154 V N 2.013 121.849 119.914 -0.130 0.000 2.711 154 V HA 0.200 4.324 4.120 0.008 0.000 0.304 154 V C 0.027 176.011 176.094 -0.184 0.000 1.097 154 V CA -0.660 61.542 62.300 -0.163 0.000 0.906 154 V CB 2.405 34.158 31.823 -0.117 0.000 1.015 154 V HN 0.274 nan 8.190 nan 0.000 0.427 155 V N 5.439 125.207 119.914 -0.243 0.000 2.834 155 V HA 0.691 4.816 4.120 0.008 0.000 0.313 155 V C -0.448 175.445 176.094 -0.335 0.000 1.060 155 V CA -0.544 61.595 62.300 -0.269 0.000 0.989 155 V CB 2.135 33.783 31.823 -0.292 0.000 1.041 155 V HN 0.573 nan 8.190 nan 0.000 0.459 156 V N 4.059 123.779 119.914 -0.323 0.000 2.655 156 V HA 0.427 4.552 4.120 0.008 0.000 0.301 156 V C -0.750 175.133 176.094 -0.352 0.000 1.082 156 V CA -0.300 61.778 62.300 -0.370 0.000 0.899 156 V CB 1.809 33.476 31.823 -0.260 0.000 1.014 156 V HN 0.685 nan 8.190 nan 0.000 0.429 157 I N 4.674 124.967 120.570 -0.461 0.000 2.291 157 I HA 0.322 4.497 4.170 0.008 0.000 0.292 157 I C 0.409 176.370 176.117 -0.260 0.000 1.064 157 I CA 0.257 61.365 61.300 -0.320 0.000 1.269 157 I CB 0.754 38.556 38.000 -0.329 0.000 1.418 157 I HN 0.606 nan 8.210 nan 0.000 0.485 158 N N 4.998 123.569 118.700 -0.215 0.000 2.447 158 N HA 0.326 5.070 4.740 0.008 0.000 0.271 158 N C -0.439 174.968 175.510 -0.173 0.000 1.226 158 N CA -0.432 52.490 53.050 -0.214 0.000 0.980 158 N CB 0.656 39.039 38.487 -0.174 0.000 1.206 158 N HN 0.313 nan 8.380 nan 0.000 0.558 159 K N -0.436 119.853 120.400 -0.185 0.000 3.150 159 K HA -0.131 4.194 4.320 0.008 0.000 0.267 159 K C 0.223 176.790 176.600 -0.055 0.000 1.028 159 K CA 0.226 56.437 56.287 -0.127 0.000 0.753 159 K CB -2.460 29.976 32.500 -0.106 0.000 1.288 159 K HN 0.261 nan 8.250 nan 0.000 0.473 160 V N 0.431 120.307 119.914 -0.063 0.000 2.591 160 V HA -0.238 3.887 4.120 0.008 0.000 0.249 160 V C 2.458 178.637 176.094 0.142 0.000 1.053 160 V CA 2.279 64.654 62.300 0.125 0.000 1.068 160 V CB -0.408 31.547 31.823 0.221 0.000 0.689 160 V HN 0.645 nan 8.190 nan 0.000 0.462 161 D N 1.092 121.560 120.400 0.112 0.000 2.116 161 D HA -0.336 4.308 4.640 0.008 0.000 0.193 161 D C 2.129 178.501 176.300 0.120 0.000 0.998 161 D CA 1.837 55.952 54.000 0.192 0.000 0.836 161 D CB -0.560 40.250 40.800 0.016 0.000 0.951 161 D HN 0.338 nan 8.370 nan 0.000 0.449 162 R N 0.331 120.863 120.500 0.053 0.000 2.261 162 R HA -0.137 4.208 4.340 0.008 0.000 0.236 162 R C 1.984 178.318 176.300 0.057 0.000 1.141 162 R CA 1.226 57.355 56.100 0.049 0.000 1.001 162 R CB -0.266 30.049 30.300 0.023 0.000 0.866 162 R HN 0.383 nan 8.270 nan 0.000 0.468 163 A N 0.588 123.448 122.820 0.066 0.000 1.898 163 A HA -0.003 4.322 4.320 0.008 0.000 0.214 163 A C 2.002 179.606 177.584 0.033 0.000 1.183 163 A CA 0.656 52.728 52.037 0.058 0.000 0.622 163 A CB -0.186 18.864 19.000 0.084 0.000 0.824 163 A HN 0.262 nan 8.150 nan 0.000 0.444 164 L N -1.040 120.185 121.223 0.004 0.000 2.004 164 L HA -0.069 4.276 4.340 0.008 0.000 0.205 164 L C 2.368 179.256 176.870 0.030 0.000 1.089 164 L CA 0.581 55.380 54.840 -0.069 0.000 0.756 164 L CB -1.078 40.834 42.059 -0.244 0.000 0.900 164 L HN 0.215 nan 8.230 nan 0.000 0.440 165 L N 0.167 121.457 121.223 0.113 0.000 2.034 165 L HA -0.273 4.072 4.340 0.008 0.000 0.217 165 L C 2.522 179.434 176.870 0.071 0.000 1.077 165 L CA 1.847 56.755 54.840 0.114 0.000 0.769 165 L CB -0.892 41.258 42.059 0.152 0.000 0.890 165 L HN 0.300 nan 8.230 nan 0.000 0.435 166 E N -0.993 119.246 120.200 0.064 0.000 2.012 166 E HA -0.127 4.228 4.350 0.008 0.000 0.192 166 E C 2.065 178.691 176.600 0.043 0.000 0.977 166 E CA 0.767 57.197 56.400 0.050 0.000 0.832 166 E CB -0.260 29.468 29.700 0.047 0.000 0.790 166 E HN 0.206 nan 8.360 nan 0.000 0.466 167 L N 1.023 122.271 121.223 0.041 0.000 2.275 167 L HA -0.104 4.240 4.340 0.008 0.000 0.215 167 L C 0.582 177.476 176.870 0.041 0.000 1.119 167 L CA 1.046 55.909 54.840 0.038 0.000 0.790 167 L CB -0.593 41.489 42.059 0.037 0.000 0.919 167 L HN 0.193 nan 8.230 nan 0.000 0.443 168 Q N -0.602 119.221 119.800 0.038 0.000 2.435 168 Q HA -0.208 4.137 4.340 0.008 0.000 0.312 168 Q C -0.002 176.040 176.000 0.070 0.000 1.333 168 Q CA 0.229 56.056 55.803 0.041 0.000 0.883 168 Q CB -1.709 27.054 28.738 0.043 0.000 1.170 168 Q HN 0.305 nan 8.270 nan 0.000 0.443 169 V N 0.964 120.927 119.914 0.081 0.000 2.924 169 V HA 0.277 4.402 4.120 0.008 0.000 0.305 169 V C 0.835 177.063 176.094 0.223 0.000 1.073 169 V CA 0.629 62.998 62.300 0.115 0.000 1.098 169 V CB 1.715 33.593 31.823 0.091 0.000 1.000 169 V HN 0.540 nan 8.190 nan 0.000 0.484 170 S N 5.123 120.913 115.700 0.150 0.000 2.632 170 S HA 0.332 4.807 4.470 0.008 0.000 0.267 170 S C 0.907 175.510 174.600 0.006 0.000 1.276 170 S CA -0.353 57.916 58.200 0.114 0.000 0.998 170 S CB 1.017 64.231 63.200 0.023 0.000 0.953 170 S HN 0.746 nan 8.310 nan 0.000 0.547 171 K N 0.569 120.783 120.400 -0.309 0.000 2.044 171 K HA -0.212 4.113 4.320 0.008 0.000 0.210 171 K C 2.058 178.540 176.600 -0.198 0.000 1.049 171 K CA 2.054 58.014 56.287 -0.545 0.000 0.927 171 K CB -0.310 31.798 32.500 -0.654 0.000 0.713 171 K HN 0.786 nan 8.250 nan 0.000 0.443 172 E N 1.295 121.419 120.200 -0.127 0.000 2.107 172 E HA -0.150 4.205 4.350 0.008 0.000 0.191 172 E C 1.414 178.030 176.600 0.027 0.000 0.982 172 E CA 1.401 57.776 56.400 -0.041 0.000 0.809 172 E CB -0.014 29.654 29.700 -0.054 0.000 0.756 172 E HN 0.163 nan 8.360 nan 0.000 0.459 173 D N -0.048 120.353 120.400 0.001 0.000 2.144 173 D HA -0.137 4.508 4.640 0.008 0.000 0.200 173 D C 1.870 178.145 176.300 -0.041 0.000 0.978 173 D CA 0.734 54.734 54.000 0.001 0.000 0.833 173 D CB -0.237 40.570 40.800 0.011 0.000 0.961 173 D HN 0.226 nan 8.370 nan 0.000 0.470 174 L N 0.085 121.275 121.223 -0.055 0.000 2.141 174 L HA -0.151 4.193 4.340 0.008 0.000 0.209 174 L C 2.138 178.722 176.870 -0.476 0.000 1.094 174 L CA 1.400 56.101 54.840 -0.230 0.000 0.763 174 L CB -0.759 41.257 42.059 -0.072 0.000 0.908 174 L HN 0.009 nan 8.230 nan 0.000 0.437 175 Y N -0.192 119.948 120.300 -0.267 0.000 2.133 175 Y HA -0.225 4.329 4.550 0.006 0.000 0.287 175 Y C 2.510 178.329 175.900 -0.135 0.000 1.134 175 Y CA 1.847 59.846 58.100 -0.169 0.000 1.133 175 Y CB -0.270 38.116 38.460 -0.123 0.000 0.987 175 Y HN 0.242 nan 8.280 nan 0.000 0.502 176 Q N -0.080 119.660 119.800 -0.101 0.000 2.181 176 Q HA -0.165 4.180 4.340 0.008 0.000 0.205 176 Q C 2.184 178.101 176.000 -0.139 0.000 0.980 176 Q CA 2.027 57.748 55.803 -0.137 0.000 0.862 176 Q CB -0.948 27.787 28.738 -0.006 0.000 0.905 176 Q HN 0.528 nan 8.270 nan 0.000 0.429 177 T N 1.268 115.732 114.554 -0.149 0.000 2.595 177 T HA -0.127 4.228 4.350 0.008 0.000 0.264 177 T C 1.582 176.328 174.700 0.078 0.000 1.058 177 T CA 1.390 63.446 62.100 -0.073 0.000 1.166 177 T CB -0.386 68.401 68.868 -0.134 0.000 0.863 177 T HN 0.134 nan 8.240 nan 0.000 0.415 178 F N 2.051 122.057 119.950 0.094 0.000 2.087 178 F HA -0.099 4.434 4.527 0.010 0.000 0.299 178 F C 2.757 178.627 175.800 0.117 0.000 1.100 178 F CA 0.386 58.498 58.000 0.188 0.000 1.226 178 F CB -1.701 37.568 39.000 0.449 0.000 0.983 178 F HN 0.172 nan 8.300 nan 0.000 0.479 179 A N 0.321 123.247 122.820 0.177 0.000 1.873 179 A HA -0.246 4.078 4.320 0.008 0.000 0.218 179 A C 2.431 180.069 177.584 0.090 0.000 1.193 179 A CA 2.068 54.163 52.037 0.096 0.000 0.629 179 A CB -0.803 18.061 19.000 -0.227 0.000 0.826 179 A HN 0.349 nan 8.150 nan 0.000 0.447 180 R N -1.226 119.304 120.500 0.049 0.000 2.081 180 R HA -0.085 4.259 4.340 0.008 0.000 0.235 180 R C 2.353 178.685 176.300 0.054 0.000 1.131 180 R CA 1.772 57.899 56.100 0.044 0.000 0.960 180 R CB -0.813 29.505 30.300 0.030 0.000 0.856 180 R HN 0.572 nan 8.270 nan 0.000 0.436 181 T N 0.894 115.496 114.554 0.080 0.000 2.674 181 T HA -0.110 4.244 4.350 0.008 0.000 0.265 181 T C 2.016 176.726 174.700 0.017 0.000 1.039 181 T CA 1.449 63.584 62.100 0.058 0.000 1.150 181 T CB -0.254 68.674 68.868 0.099 0.000 0.864 181 T HN -0.009 nan 8.240 nan 0.000 0.427 182 V N 1.674 121.604 119.914 0.026 0.000 2.469 182 V HA -0.154 3.971 4.120 0.008 0.000 0.251 182 V C 2.665 178.744 176.094 -0.024 0.000 1.064 182 V CA 1.555 63.828 62.300 -0.045 0.000 1.066 182 V CB -0.543 31.245 31.823 -0.060 0.000 0.667 182 V HN 0.479 nan 8.190 nan 0.000 0.461 183 E N 0.255 120.471 120.200 0.026 0.000 2.047 183 E HA -0.164 4.190 4.350 0.008 0.000 0.191 183 E C 2.435 179.037 176.600 0.004 0.000 0.987 183 E CA 1.567 57.984 56.400 0.027 0.000 0.799 183 E CB -0.071 29.658 29.700 0.048 0.000 0.752 183 E HN 0.618 nan 8.360 nan 0.000 0.449 184 S N 0.379 116.082 115.700 0.004 0.000 2.365 184 S HA -0.167 4.308 4.470 0.008 0.000 0.225 184 S C 2.203 176.794 174.600 -0.015 0.000 1.039 184 S CA 1.436 59.637 58.200 0.000 0.000 1.033 184 S CB -0.451 62.752 63.200 0.004 0.000 0.887 184 S HN 0.120 nan 8.310 nan 0.000 0.447 185 V N 3.136 123.027 119.914 -0.037 0.000 2.231 185 V HA -0.225 3.900 4.120 0.008 0.000 0.248 185 V C 2.177 178.230 176.094 -0.068 0.000 1.054 185 V CA 1.825 64.088 62.300 -0.062 0.000 1.015 185 V CB -0.821 30.941 31.823 -0.102 0.000 0.638 185 V HN 0.452 nan 8.190 nan 0.000 0.444 186 N N 0.031 118.680 118.700 -0.086 0.000 2.364 186 N HA -0.111 4.634 4.740 0.008 0.000 0.183 186 N C 1.664 177.141 175.510 -0.055 0.000 1.022 186 N CA 1.142 54.132 53.050 -0.100 0.000 0.883 186 N CB -0.272 38.145 38.487 -0.116 0.000 0.965 186 N HN 0.396 nan 8.380 nan 0.000 0.438 187 V N 1.143 121.040 119.914 -0.028 0.000 2.515 187 V HA -0.136 3.989 4.120 0.008 0.000 0.250 187 V C 2.114 178.205 176.094 -0.004 0.000 1.058 187 V CA 1.083 63.373 62.300 -0.016 0.000 1.064 187 V CB -0.230 31.593 31.823 -0.001 0.000 0.675 187 V HN 0.220 nan 8.190 nan 0.000 0.461 188 I N -0.848 119.733 120.570 0.019 0.000 2.339 188 I HA -0.100 4.075 4.170 0.008 0.000 0.245 188 I C 2.320 178.487 176.117 0.083 0.000 1.096 188 I CA 0.718 62.075 61.300 0.096 0.000 1.408 188 I CB -0.321 37.721 38.000 0.070 0.000 1.092 188 I HN 0.088 nan 8.210 nan 0.000 0.423 189 V N 1.181 121.092 119.914 -0.003 0.000 2.332 189 V HA -0.289 3.836 4.120 0.008 0.000 0.248 189 V C 2.646 178.714 176.094 -0.042 0.000 1.055 189 V CA 2.433 64.712 62.300 -0.035 0.000 1.038 189 V CB -0.920 30.841 31.823 -0.103 0.000 0.651 189 V HN 0.602 nan 8.190 nan 0.000 0.450 190 S N -1.143 114.521 115.700 -0.061 0.000 2.395 190 S HA -0.155 4.320 4.470 0.008 0.000 0.225 190 S C 1.907 176.442 174.600 -0.109 0.000 1.027 190 S CA 1.499 59.654 58.200 -0.075 0.000 0.965 190 S CB -0.545 62.616 63.200 -0.064 0.000 0.812 190 S HN 0.530 nan 8.310 nan 0.000 0.482 191 T N 0.630 115.093 114.554 -0.151 0.000 2.904 191 T HA 0.077 4.432 4.350 0.008 0.000 0.267 191 T C 0.739 175.134 174.700 -0.508 0.000 1.059 191 T CA 1.196 63.090 62.100 -0.343 0.000 1.137 191 T CB -0.317 68.281 68.868 -0.451 0.000 0.879 191 T HN 0.606 nan 8.240 nan 0.000 0.467 192 Y N 0.316 120.579 120.300 -0.061 0.000 2.445 192 Y HA 0.612 5.167 4.550 0.007 0.000 0.247 192 Y C 1.138 176.998 175.900 -0.067 0.000 1.129 192 Y CA -1.073 56.989 58.100 -0.063 0.000 1.251 192 Y CB 0.120 38.541 38.460 -0.064 0.000 1.176 192 Y HN 0.087 nan 8.280 nan 0.000 0.522 193 A N 0.200 123.041 122.820 0.034 0.000 2.351 193 A HA 0.289 4.614 4.320 0.008 0.000 0.257 193 A C -0.439 177.123 177.584 -0.037 0.000 1.087 193 A CA -0.483 51.547 52.037 -0.011 0.000 0.798 193 A CB 0.083 19.055 19.000 -0.047 0.000 1.033 193 A HN 0.109 nan 8.150 nan 0.000 0.488 194 D N 0.627 120.997 120.400 -0.050 0.000 2.350 194 D HA 0.262 4.907 4.640 0.008 0.000 0.249 194 D C 0.899 177.153 176.300 -0.076 0.000 1.119 194 D CA 0.085 54.050 54.000 -0.058 0.000 0.886 194 D CB 1.170 41.934 40.800 -0.060 0.000 1.195 194 D HN 0.618 nan 8.370 nan 0.000 0.437 195 E N 0.826 120.988 120.200 -0.064 0.000 2.118 195 E HA -0.133 4.222 4.350 0.008 0.000 0.195 195 E C 1.873 178.431 176.600 -0.070 0.000 0.992 195 E CA 0.623 56.985 56.400 -0.062 0.000 0.804 195 E CB 0.077 29.747 29.700 -0.050 0.000 0.741 195 E HN 0.293 nan 8.360 nan 0.000 0.458 196 V N 0.693 120.563 119.914 -0.074 0.000 2.287 196 V HA -0.294 3.831 4.120 0.008 0.000 0.248 196 V C 2.274 178.288 176.094 -0.133 0.000 1.053 196 V CA 1.689 63.941 62.300 -0.081 0.000 1.027 196 V CB -0.567 31.216 31.823 -0.067 0.000 0.646 196 V HN 0.326 nan 8.190 nan 0.000 0.447 197 L N -0.026 121.079 121.223 -0.196 0.000 2.137 197 L HA -0.003 4.342 4.340 0.008 0.000 0.213 197 L C 1.320 178.078 176.870 -0.187 0.000 1.085 197 L CA 1.274 55.936 54.840 -0.296 0.000 0.760 197 L CB -1.144 40.734 42.059 -0.302 0.000 0.893 197 L HN 0.652 nan 8.230 nan 0.000 0.434 198 G N -0.144 108.585 108.800 -0.119 0.000 2.712 198 G HA2 -0.255 3.710 3.960 0.008 0.000 0.683 198 G HA3 -0.255 3.710 3.960 0.008 0.000 0.683 198 G C -0.704 174.157 174.900 -0.066 0.000 1.320 198 G CA -0.306 44.748 45.100 -0.076 0.000 0.847 198 G HN 0.261 nan 8.290 nan 0.000 0.553 199 D N -0.970 119.410 120.400 -0.033 0.000 2.451 199 D HA 0.272 4.917 4.640 0.008 0.000 0.254 199 D C 1.027 177.294 176.300 -0.056 0.000 1.204 199 D CA 0.778 54.764 54.000 -0.024 0.000 0.896 199 D CB 1.052 41.877 40.800 0.043 0.000 1.136 199 D HN 0.657 nan 8.370 nan 0.000 0.499 200 V N 3.982 123.835 119.914 -0.101 0.000 3.319 200 V HA 0.079 4.204 4.120 0.008 0.000 0.317 200 V C 0.742 176.705 176.094 -0.218 0.000 1.411 200 V CA -0.028 62.192 62.300 -0.133 0.000 1.112 200 V CB -0.416 31.337 31.823 -0.116 0.000 1.031 200 V HN 0.607 nan 8.190 nan 0.000 0.448 201 Q N 0.563 120.180 119.800 -0.304 0.000 2.432 201 Q HA 0.222 4.567 4.340 0.008 0.000 0.264 201 Q C -0.162 175.375 176.000 -0.772 0.000 1.035 201 Q CA 0.133 55.627 55.803 -0.515 0.000 0.908 201 Q CB 1.489 29.863 28.738 -0.607 0.000 1.280 201 Q HN 0.465 nan 8.270 nan 0.000 0.455 202 V N 0.132 119.646 119.914 -0.667 0.000 2.509 202 V HA 0.413 4.538 4.120 0.008 0.000 0.284 202 V C -1.101 174.603 176.094 -0.650 0.000 1.047 202 V CA -0.649 61.304 62.300 -0.578 0.000 0.952 202 V CB 0.420 32.009 31.823 -0.391 0.000 0.988 202 V HN 0.527 nan 8.190 nan 0.000 0.469 203 Y N 3.828 123.972 120.300 -0.260 0.000 2.329 203 Y HA 0.478 5.032 4.550 0.006 0.000 0.328 203 Y C -2.038 173.643 175.900 -0.366 0.000 0.992 203 Y CA -2.430 55.502 58.100 -0.279 0.000 1.151 203 Y CB 2.138 40.491 38.460 -0.177 0.000 1.150 203 Y HN 0.414 nan 8.280 nan 0.000 0.450 204 P HA -0.241 nan 4.420 nan 0.000 0.216 204 P C 1.257 178.431 177.300 -0.212 0.000 1.150 204 P CA 2.507 65.307 63.100 -0.501 0.000 0.843 204 P CB 0.367 31.317 31.700 -1.250 0.000 0.787 205 A N -0.550 122.161 122.820 -0.180 0.000 2.121 205 A HA -0.120 4.205 4.320 0.008 0.000 0.218 205 A C 1.928 179.538 177.584 0.044 0.000 1.154 205 A CA 1.087 53.145 52.037 0.035 0.000 0.679 205 A CB -0.769 18.279 19.000 0.081 0.000 0.795 205 A HN 0.146 nan 8.150 nan 0.000 0.458 206 R N -1.292 119.213 120.500 0.008 0.000 2.359 206 R HA 0.246 4.591 4.340 0.008 0.000 0.231 206 R C 1.015 177.311 176.300 -0.007 0.000 0.913 206 R CA 0.426 56.543 56.100 0.028 0.000 1.075 206 R CB 0.056 30.384 30.300 0.047 0.000 1.087 206 R HN 0.575 nan 8.270 nan 0.000 0.515 207 G N 1.623 110.416 108.800 -0.011 0.000 2.176 207 G HA2 -0.307 3.657 3.960 0.008 0.000 0.252 207 G HA3 -0.307 3.657 3.960 0.008 0.000 0.252 207 G C 0.624 175.406 174.900 -0.197 0.000 1.024 207 G CA 0.915 46.026 45.100 0.018 0.000 0.755 207 G HN 0.444 nan 8.290 nan 0.000 0.507 208 T N -3.342 110.979 114.554 -0.388 0.000 3.129 208 T HA 0.582 4.937 4.350 0.008 0.000 0.267 208 T C 0.167 174.651 174.700 -0.360 0.000 1.018 208 T CA 0.296 62.114 62.100 -0.469 0.000 0.903 208 T CB 1.122 69.650 68.868 -0.567 0.000 1.067 208 T HN 0.820 nan 8.240 nan 0.000 0.549 209 V N 1.394 121.088 119.914 -0.367 0.000 2.524 209 V HA 0.806 4.931 4.120 0.008 0.000 0.297 209 V C -0.229 175.488 176.094 -0.629 0.000 1.035 209 V CA -1.096 60.882 62.300 -0.537 0.000 0.867 209 V CB 1.226 32.654 31.823 -0.659 0.000 1.004 209 V HN 0.627 nan 8.190 nan 0.000 0.426 210 A N 4.843 127.272 122.820 -0.652 0.000 2.330 210 A HA 1.024 5.349 4.320 0.008 0.000 0.329 210 A C -1.166 175.887 177.584 -0.886 0.000 1.135 210 A CA -0.461 51.242 52.037 -0.557 0.000 0.817 210 A CB 1.187 20.011 19.000 -0.293 0.000 1.269 210 A HN 0.655 nan 8.150 nan 0.000 0.469 211 F N -0.138 119.397 119.950 -0.691 0.000 2.563 211 F HA 0.791 5.321 4.527 0.006 0.000 0.316 211 F C 0.774 176.144 175.800 -0.716 0.000 1.076 211 F CA 0.095 57.639 58.000 -0.760 0.000 0.921 211 F CB 2.733 41.179 39.000 -0.923 0.000 1.209 211 F HN 1.026 nan 8.300 nan 0.000 0.462 212 G N 0.259 108.782 108.800 -0.461 0.000 2.336 212 G HA2 0.418 4.383 3.960 0.008 0.000 0.286 212 G HA3 0.418 4.383 3.960 0.008 0.000 0.286 212 G C -1.958 172.362 174.900 -0.967 0.000 1.269 212 G CA -0.678 43.864 45.100 -0.930 0.000 0.873 212 G HN 0.742 nan 8.290 nan 0.000 0.494 213 S N -0.962 114.023 115.700 -1.192 0.000 2.736 213 S HA 0.564 5.038 4.470 0.008 0.000 0.285 213 S C 1.202 175.561 174.600 -0.401 0.000 1.163 213 S CA 0.794 58.561 58.200 -0.720 0.000 1.025 213 S CB 1.016 63.781 63.200 -0.725 0.000 1.030 213 S HN 1.863 nan 8.310 nan 0.000 0.486 214 G N 3.766 112.432 108.800 -0.223 0.000 2.422 214 G HA2 -0.103 3.861 3.960 0.008 0.000 0.218 214 G HA3 -0.103 3.861 3.960 0.008 0.000 0.218 214 G C 1.229 176.118 174.900 -0.018 0.000 1.146 214 G CA 1.052 46.095 45.100 -0.096 0.000 0.769 214 G HN 0.668 nan 8.290 nan 0.000 0.547 215 L N 0.615 121.823 121.223 -0.025 0.000 1.944 215 L HA -0.168 4.177 4.340 0.008 0.000 0.218 215 L C 2.610 179.622 176.870 0.236 0.000 1.075 215 L CA 2.269 57.154 54.840 0.075 0.000 0.767 215 L CB -0.958 41.113 42.059 0.020 0.000 0.890 215 L HN 0.282 nan 8.230 nan 0.000 0.434 216 H N 0.232 119.378 119.070 0.126 0.000 2.491 216 H HA 0.196 4.757 4.556 0.009 0.000 0.290 216 H C 1.605 177.083 175.328 0.250 0.000 1.050 216 H CA 0.451 56.646 56.048 0.245 0.000 1.309 216 H CB -0.613 29.451 29.762 0.502 0.000 1.392 216 H HN 0.609 nan 8.280 nan 0.000 0.554 217 G N -0.606 108.349 108.800 0.258 0.000 2.142 217 G HA2 -0.174 3.790 3.960 0.008 0.000 0.225 217 G HA3 -0.174 3.790 3.960 0.008 0.000 0.225 217 G C 0.019 175.089 174.900 0.282 0.000 1.015 217 G CA 0.257 45.476 45.100 0.198 0.000 0.716 217 G HN 0.490 nan 8.290 nan 0.000 0.508 218 W N -0.997 120.406 121.300 0.171 0.000 2.799 218 W HA 0.867 5.531 4.660 0.007 0.000 0.349 218 W C -0.205 176.393 176.519 0.132 0.000 1.100 218 W CA -1.362 56.085 57.345 0.170 0.000 1.174 218 W CB 1.612 31.230 29.460 0.263 0.000 1.427 218 W HN 1.220 nan 8.180 nan 0.000 0.547 219 A N 2.438 125.515 122.820 0.427 0.000 2.590 219 A HA 0.736 5.061 4.320 0.008 0.000 0.296 219 A C -2.010 175.742 177.584 0.280 0.000 1.050 219 A CA -0.714 51.420 52.037 0.162 0.000 0.697 219 A CB 0.870 19.824 19.000 -0.077 0.000 1.277 219 A HN 1.138 nan 8.150 nan 0.000 0.411 220 F N -0.690 119.425 119.950 0.274 0.000 2.664 220 F HA 0.937 5.468 4.527 0.007 0.000 0.317 220 F C -0.212 175.754 175.800 0.277 0.000 1.108 220 F CA -0.273 57.836 58.000 0.182 0.000 0.957 220 F CB 1.433 40.512 39.000 0.131 0.000 1.365 220 F HN 0.998 nan 8.300 nan 0.000 0.475 221 T N -0.568 114.302 114.554 0.527 0.000 2.900 221 T HA 0.445 4.800 4.350 0.008 0.000 0.295 221 T C 0.452 175.511 174.700 0.598 0.000 1.044 221 T CA -0.687 61.685 62.100 0.453 0.000 0.995 221 T CB 1.477 70.466 68.868 0.203 0.000 1.072 221 T HN 0.593 nan 8.240 nan 0.000 0.473 222 I N 1.134 122.061 120.570 0.595 0.000 2.248 222 I HA -0.090 4.085 4.170 0.008 0.000 0.248 222 I C 2.575 178.932 176.117 0.400 0.000 1.107 222 I CA 1.236 62.878 61.300 0.570 0.000 1.373 222 I CB -1.243 37.038 38.000 0.467 0.000 1.055 222 I HN 0.839 nan 8.210 nan 0.000 0.418 223 R N 0.456 121.126 120.500 0.284 0.000 2.193 223 R HA -0.169 4.175 4.340 0.008 0.000 0.229 223 R C 2.072 178.467 176.300 0.158 0.000 1.110 223 R CA 1.097 57.315 56.100 0.196 0.000 0.988 223 R CB 0.059 30.448 30.300 0.150 0.000 0.871 223 R HN 0.497 nan 8.270 nan 0.000 0.458 224 Q N -1.113 118.777 119.800 0.150 0.000 2.123 224 Q HA -0.056 4.288 4.340 0.008 0.000 0.196 224 Q C 1.475 177.459 176.000 -0.027 0.000 0.958 224 Q CA 1.052 56.857 55.803 0.002 0.000 0.841 224 Q CB 0.108 28.781 28.738 -0.109 0.000 0.915 224 Q HN 0.297 nan 8.270 nan 0.000 0.455 225 F N 0.277 120.295 119.950 0.113 0.000 2.407 225 F HA 0.015 4.547 4.527 0.008 0.000 0.299 225 F C 2.109 178.021 175.800 0.187 0.000 1.097 225 F CA 0.810 58.869 58.000 0.097 0.000 1.422 225 F CB -0.192 38.918 39.000 0.182 0.000 1.067 225 F HN 0.044 nan 8.300 nan 0.000 0.539 226 A N -1.018 122.019 122.820 0.361 0.000 2.067 226 A HA -0.067 4.258 4.320 0.008 0.000 0.217 226 A C 2.133 179.825 177.584 0.179 0.000 1.156 226 A CA 1.746 53.950 52.037 0.278 0.000 0.683 226 A CB -0.951 18.181 19.000 0.221 0.000 0.808 226 A HN 0.278 nan 8.150 nan 0.000 0.455 227 T N -0.897 113.730 114.554 0.121 0.000 3.043 227 T HA -0.009 4.346 4.350 0.008 0.000 0.263 227 T C 1.936 176.658 174.700 0.037 0.000 1.094 227 T CA 1.083 63.223 62.100 0.065 0.000 1.127 227 T CB -0.059 68.829 68.868 0.034 0.000 0.905 227 T HN 0.666 nan 8.240 nan 0.000 0.490 228 R N 0.126 120.636 120.500 0.015 0.000 2.048 228 R HA 0.001 4.346 4.340 0.008 0.000 0.224 228 R C 1.594 177.851 176.300 -0.072 0.000 1.163 228 R CA 1.048 57.099 56.100 -0.082 0.000 0.956 228 R CB -0.549 29.636 30.300 -0.192 0.000 0.849 228 R HN 0.250 nan 8.270 nan 0.000 0.435 229 Y N 1.590 121.956 120.300 0.109 0.000 2.651 229 Y HA 0.040 4.595 4.550 0.008 0.000 0.296 229 Y C 2.248 178.207 175.900 0.099 0.000 1.150 229 Y CA 0.432 58.578 58.100 0.077 0.000 1.348 229 Y CB -0.647 37.874 38.460 0.101 0.000 0.983 229 Y HN 0.363 nan 8.280 nan 0.000 0.555 230 A N 0.590 123.529 122.820 0.197 0.000 1.906 230 A HA -0.319 4.006 4.320 0.008 0.000 0.222 230 A C 2.256 179.917 177.584 0.128 0.000 1.282 230 A CA 2.517 54.638 52.037 0.141 0.000 0.675 230 A CB -0.374 18.676 19.000 0.084 0.000 0.838 230 A HN 0.265 nan 8.150 nan 0.000 0.469 231 K N -1.226 119.226 120.400 0.086 0.000 2.370 231 K HA 0.057 4.382 4.320 0.008 0.000 0.194 231 K C 1.626 178.245 176.600 0.031 0.000 1.070 231 K CA 0.952 57.277 56.287 0.064 0.000 0.998 231 K CB 0.026 32.547 32.500 0.034 0.000 0.911 231 K HN 0.553 nan 8.250 nan 0.000 0.533 232 K N 0.511 120.892 120.400 -0.032 0.000 2.442 232 K HA -0.091 4.233 4.320 0.008 0.000 0.200 232 K C 0.688 177.074 176.600 -0.358 0.000 1.045 232 K CA 1.364 57.527 56.287 -0.207 0.000 0.937 232 K CB -0.151 32.176 32.500 -0.287 0.000 0.757 232 K HN -0.009 nan 8.250 nan 0.000 0.474 233 F N -0.908 119.055 119.950 0.022 0.000 2.817 233 F HA 0.352 4.884 4.527 0.009 0.000 0.333 233 F C 0.727 176.568 175.800 0.069 0.000 1.085 233 F CA -0.083 57.946 58.000 0.048 0.000 1.170 233 F CB 1.086 40.115 39.000 0.049 0.000 1.066 233 F HN 0.103 nan 8.300 nan 0.000 0.564 234 G N 2.248 111.170 108.800 0.203 0.000 2.473 234 G HA2 0.045 4.009 3.960 0.008 0.000 0.289 234 G HA3 0.045 4.009 3.960 0.008 0.000 0.289 234 G C -0.628 174.344 174.900 0.120 0.000 1.084 234 G CA 0.097 45.279 45.100 0.136 0.000 1.215 234 G HN 0.783 nan 8.290 nan 0.000 0.527 235 V N -1.940 118.034 119.914 0.101 0.000 3.049 235 V HA 0.876 5.001 4.120 0.008 0.000 0.309 235 V C -0.352 175.767 176.094 0.040 0.000 1.148 235 V CA -1.015 61.315 62.300 0.049 0.000 0.990 235 V CB 2.391 34.224 31.823 0.018 0.000 1.039 235 V HN 0.544 nan 8.190 nan 0.000 0.430 236 D N 2.178 122.588 120.400 0.017 0.000 2.249 236 D HA 0.303 4.948 4.640 0.008 0.000 0.246 236 D C 1.062 177.373 176.300 0.018 0.000 1.114 236 D CA -0.394 53.618 54.000 0.021 0.000 0.854 236 D CB 1.627 42.435 40.800 0.013 0.000 1.132 236 D HN 0.842 nan 8.370 nan 0.000 0.461 237 K N 1.667 122.089 120.400 0.037 0.000 2.242 237 K HA -0.343 3.982 4.320 0.008 0.000 0.206 237 K C 1.735 178.356 176.600 0.035 0.000 1.045 237 K CA 1.397 57.714 56.287 0.049 0.000 0.930 237 K CB -0.448 32.092 32.500 0.067 0.000 0.726 237 K HN 0.391 nan 8.250 nan 0.000 0.462 238 A N 2.143 124.977 122.820 0.023 0.000 1.884 238 A HA -0.252 4.073 4.320 0.008 0.000 0.219 238 A C 2.188 179.769 177.584 -0.004 0.000 1.197 238 A CA 2.209 54.255 52.037 0.017 0.000 0.637 238 A CB -0.581 18.424 19.000 0.009 0.000 0.827 238 A HN 0.491 nan 8.150 nan 0.000 0.450 239 K N -1.928 118.450 120.400 -0.036 0.000 2.426 239 K HA 0.095 4.419 4.320 0.008 0.000 0.193 239 K C 1.747 178.261 176.600 -0.144 0.000 1.028 239 K CA 0.747 56.980 56.287 -0.090 0.000 1.047 239 K CB -0.045 32.385 32.500 -0.118 0.000 0.821 239 K HN 0.395 nan 8.250 nan 0.000 0.513 240 M N 1.051 120.601 119.600 -0.084 0.000 2.236 240 M HA -0.017 4.467 4.480 0.008 0.000 0.266 240 M C 1.840 178.138 176.300 -0.005 0.000 1.070 240 M CA 1.395 56.641 55.300 -0.090 0.000 1.137 240 M CB -0.023 32.591 32.600 0.023 0.000 1.378 240 M HN 0.254 nan 8.290 nan 0.000 0.426 241 M N -2.495 117.144 119.600 0.065 0.000 2.419 241 M HA 0.011 4.495 4.480 0.008 0.000 0.264 241 M C 1.415 177.791 176.300 0.126 0.000 1.082 241 M CA 1.642 57.029 55.300 0.144 0.000 1.119 241 M CB -0.781 31.916 32.600 0.162 0.000 1.398 241 M HN 0.088 nan 8.290 nan 0.000 0.453 242 D N 1.383 121.810 120.400 0.046 0.000 2.219 242 D HA -0.083 4.561 4.640 0.008 0.000 0.205 242 D C 1.913 178.225 176.300 0.020 0.000 0.970 242 D CA 1.016 55.036 54.000 0.035 0.000 0.851 242 D CB 0.095 40.884 40.800 -0.019 0.000 0.943 242 D HN 0.507 nan 8.370 nan 0.000 0.488 243 R N -0.413 120.048 120.500 -0.065 0.000 2.140 243 R HA 0.166 4.511 4.340 0.008 0.000 0.213 243 R C 2.366 178.687 176.300 0.034 0.000 1.059 243 R CA 0.024 56.045 56.100 -0.132 0.000 1.000 243 R CB 0.046 30.049 30.300 -0.496 0.000 0.910 243 R HN 0.169 nan 8.270 nan 0.000 0.455 244 L N -0.035 121.275 121.223 0.145 0.000 2.551 244 L HA -0.090 4.255 4.340 0.008 0.000 0.230 244 L C 0.716 177.855 176.870 0.449 0.000 1.163 244 L CA 0.584 55.611 54.840 0.312 0.000 0.826 244 L CB -0.195 42.095 42.059 0.386 0.000 0.943 244 L HN 0.294 nan 8.230 nan 0.000 0.452 245 W N -0.362 121.012 121.300 0.122 0.000 3.031 245 W HA 0.446 5.111 4.660 0.007 0.000 0.337 245 W C 0.495 177.030 176.519 0.028 0.000 1.187 245 W CA 0.268 57.663 57.345 0.083 0.000 1.166 245 W CB 1.662 31.180 29.460 0.096 0.000 1.437 245 W HN 0.044 nan 8.180 nan 0.000 0.551 246 G N 2.892 111.316 108.800 -0.626 0.000 2.525 246 G HA2 -0.246 3.719 3.960 0.008 0.000 0.248 246 G HA3 -0.246 3.719 3.960 0.008 0.000 0.248 246 G C -0.851 173.856 174.900 -0.321 0.000 1.238 246 G CA -0.013 44.905 45.100 -0.304 0.000 0.926 246 G HN 0.468 nan 8.290 nan 0.000 0.574 247 D N 1.815 122.114 120.400 -0.168 0.000 2.456 247 D HA 0.570 5.214 4.640 0.008 0.000 0.219 247 D C -0.358 175.825 176.300 -0.195 0.000 1.126 247 D CA 0.388 54.271 54.000 -0.194 0.000 0.890 247 D CB 0.914 41.769 40.800 0.092 0.000 1.025 247 D HN 0.481 nan 8.370 nan 0.000 0.511 248 S N 1.746 117.111 115.700 -0.559 0.000 2.614 248 S HA 0.521 4.996 4.470 0.008 0.000 0.275 248 S C -0.821 173.484 174.600 -0.492 0.000 1.161 248 S CA -0.698 57.370 58.200 -0.220 0.000 0.969 248 S CB 0.982 64.156 63.200 -0.044 0.000 1.059 248 S HN 0.192 nan 8.310 nan 0.000 0.482 249 F N 1.659 121.751 119.950 0.236 0.000 2.577 249 F HA 0.691 5.221 4.527 0.005 0.000 0.318 249 F C -0.657 175.173 175.800 0.050 0.000 1.065 249 F CA -1.041 57.021 58.000 0.103 0.000 0.929 249 F CB 1.298 40.289 39.000 -0.016 0.000 1.237 249 F HN 0.525 nan 8.300 nan 0.000 0.468 250 F N 2.857 122.691 119.950 -0.194 0.000 2.500 250 F HA 0.372 4.903 4.527 0.007 0.000 0.349 250 F C -0.270 175.370 175.800 -0.266 0.000 1.127 250 F CA -0.840 56.837 58.000 -0.538 0.000 0.998 250 F CB 0.524 38.990 39.000 -0.890 0.000 1.237 250 F HN 0.383 nan 8.300 nan 0.000 0.439 251 N N 7.253 125.603 118.700 -0.583 0.000 2.452 251 N HA 0.136 4.881 4.740 0.008 0.000 0.266 251 N C -1.976 173.257 175.510 -0.462 0.000 1.209 251 N CA -1.433 51.379 53.050 -0.398 0.000 0.929 251 N CB 1.730 40.021 38.487 -0.328 0.000 1.063 251 N HN 0.310 nan 8.380 nan 0.000 0.472 252 P HA -0.072 nan 4.420 nan 0.000 0.216 252 P C 0.754 177.982 177.300 -0.121 0.000 1.153 252 P CA 1.586 64.634 63.100 -0.086 0.000 0.848 252 P CB 0.453 32.137 31.700 -0.026 0.000 0.787 253 K N -0.567 119.755 120.400 -0.131 0.000 1.967 253 K HA -0.096 4.229 4.320 0.008 0.000 0.212 253 K C 2.248 178.765 176.600 -0.138 0.000 1.044 253 K CA 2.195 58.417 56.287 -0.108 0.000 0.942 253 K CB -1.425 31.019 32.500 -0.093 0.000 0.726 253 K HN 0.217 nan 8.250 nan 0.000 0.440 254 T N -0.453 113.991 114.554 -0.183 0.000 2.929 254 T HA -0.096 4.259 4.350 0.008 0.000 0.271 254 T C 0.590 175.143 174.700 -0.245 0.000 1.085 254 T CA 0.672 62.662 62.100 -0.184 0.000 1.125 254 T CB -0.199 68.558 68.868 -0.187 0.000 0.874 254 T HN 0.098 nan 8.240 nan 0.000 0.494 255 K N 0.989 121.143 120.400 -0.410 0.000 3.096 255 K HA -0.116 4.209 4.320 0.008 0.000 0.266 255 K C -0.527 175.710 176.600 -0.605 0.000 1.043 255 K CA 0.818 56.786 56.287 -0.531 0.000 0.758 255 K CB -1.488 30.942 32.500 -0.117 0.000 1.260 255 K HN 0.635 nan 8.250 nan 0.000 0.481 256 K N -0.698 119.242 120.400 -0.766 0.000 2.395 256 K HA 0.431 4.755 4.320 0.008 0.000 0.247 256 K C -0.445 175.877 176.600 -0.462 0.000 0.973 256 K CA -0.753 55.289 56.287 -0.409 0.000 0.828 256 K CB 1.161 33.562 32.500 -0.165 0.000 1.272 256 K HN -0.004 nan 8.250 nan 0.000 0.439 257 W N 1.190 122.483 121.300 -0.011 0.000 2.335 257 W HA 0.281 4.945 4.660 0.006 0.000 0.307 257 W C -0.042 176.512 176.519 0.059 0.000 1.117 257 W CA -0.060 57.346 57.345 0.101 0.000 1.228 257 W CB 1.641 31.177 29.460 0.127 0.000 1.240 257 W HN 0.367 nan 8.180 nan 0.000 0.468 258 T N 2.157 116.910 114.554 0.331 0.000 2.907 258 T HA 0.241 4.596 4.350 0.008 0.000 0.290 258 T C 0.174 175.071 174.700 0.329 0.000 1.066 258 T CA -0.829 61.408 62.100 0.228 0.000 1.012 258 T CB 1.537 70.463 68.868 0.095 0.000 1.184 258 T HN 0.289 nan 8.240 nan 0.000 0.522 259 N N 1.171 120.006 118.700 0.224 0.000 2.282 259 N HA 0.139 4.883 4.740 0.008 0.000 0.240 259 N C -0.720 174.907 175.510 0.195 0.000 1.182 259 N CA -0.021 53.189 53.050 0.266 0.000 0.874 259 N CB 0.493 39.072 38.487 0.153 0.000 1.126 259 N HN 0.585 nan 8.380 nan 0.000 0.516 260 K N -0.340 120.053 120.400 -0.011 0.000 2.378 260 K HA 0.328 4.653 4.320 0.008 0.000 0.252 260 K C -0.353 175.697 176.600 -0.916 0.000 0.931 260 K CA -0.672 55.449 56.287 -0.277 0.000 0.794 260 K CB 1.299 33.695 32.500 -0.174 0.000 1.181 260 K HN -0.243 nan 8.250 nan 0.000 0.425 261 D N 0.460 120.231 120.400 -1.048 0.000 2.390 261 D HA -0.083 4.562 4.640 0.008 0.000 0.235 261 D C -0.352 175.558 176.300 -0.650 0.000 1.040 261 D CA 0.318 53.541 54.000 -1.295 0.000 0.923 261 D CB -0.167 40.296 40.800 -0.562 0.000 0.886 261 D HN 0.607 nan 8.370 nan 0.000 0.532 262 T N -1.648 112.625 114.554 -0.468 0.000 2.909 262 T HA 0.442 4.796 4.350 0.008 0.000 0.299 262 T C -0.746 173.823 174.700 -0.218 0.000 1.073 262 T CA -1.219 60.715 62.100 -0.275 0.000 0.999 262 T CB 2.231 70.985 68.868 -0.190 0.000 1.098 262 T HN 0.081 nan 8.240 nan 0.000 0.477 263 D N 0.870 121.171 120.400 -0.165 0.000 2.387 263 D HA 0.489 5.134 4.640 0.008 0.000 0.251 263 D C 1.673 177.911 176.300 -0.104 0.000 1.141 263 D CA -0.533 53.389 54.000 -0.131 0.000 0.987 263 D CB 0.486 41.215 40.800 -0.119 0.000 1.116 263 D HN 0.626 nan 8.370 nan 0.000 0.491 264 A N 0.499 123.268 122.820 -0.085 0.000 1.954 264 A HA -0.338 3.987 4.320 0.008 0.000 0.222 264 A C 1.889 179.435 177.584 -0.063 0.000 1.199 264 A CA 2.233 54.230 52.037 -0.067 0.000 0.657 264 A CB -0.929 18.037 19.000 -0.056 0.000 0.823 264 A HN 0.747 nan 8.150 nan 0.000 0.463 265 E N -2.771 117.390 120.200 -0.065 0.000 2.158 265 E HA 0.214 4.569 4.350 0.008 0.000 0.191 265 E C 1.347 177.911 176.600 -0.060 0.000 0.982 265 E CA 0.514 56.880 56.400 -0.057 0.000 0.823 265 E CB -0.057 29.610 29.700 -0.054 0.000 0.766 265 E HN 0.847 nan 8.360 nan 0.000 0.468 266 G N 1.289 110.045 108.800 -0.074 0.000 2.227 266 G HA2 -0.167 3.798 3.960 0.008 0.000 0.168 266 G HA3 -0.167 3.798 3.960 0.008 0.000 0.168 266 G C -0.108 174.741 174.900 -0.084 0.000 1.006 266 G CA -0.527 44.527 45.100 -0.077 0.000 0.684 266 G HN 0.022 nan 8.290 nan 0.000 0.489 267 K N 1.133 121.481 120.400 -0.087 0.000 2.237 267 K HA 0.455 4.780 4.320 0.008 0.000 0.270 267 K C -2.468 174.065 176.600 -0.112 0.000 1.015 267 K CA -1.654 54.581 56.287 -0.087 0.000 0.949 267 K CB 0.961 33.414 32.500 -0.078 0.000 0.976 267 K HN 0.029 nan 8.250 nan 0.000 0.472 268 P HA 0.083 nan 4.420 nan 0.000 0.269 268 P C -0.900 176.324 177.300 -0.127 0.000 1.215 268 P CA 0.045 63.071 63.100 -0.123 0.000 0.780 268 P CB 0.547 32.194 31.700 -0.089 0.000 0.898 269 L N 1.208 122.341 121.223 -0.150 0.000 2.409 269 L HA 0.360 4.705 4.340 0.008 0.000 0.272 269 L C 0.472 177.412 176.870 0.116 0.000 0.980 269 L CA -0.805 53.990 54.840 -0.074 0.000 0.826 269 L CB 1.889 43.848 42.059 -0.166 0.000 1.268 269 L HN 0.359 nan 8.230 nan 0.000 0.407 270 E N 4.155 124.381 120.200 0.044 0.000 2.366 270 E HA 0.054 4.409 4.350 0.008 0.000 0.266 270 E C 0.070 176.661 176.600 -0.015 0.000 1.015 270 E CA -0.347 56.039 56.400 -0.023 0.000 0.906 270 E CB 0.897 30.506 29.700 -0.152 0.000 0.979 270 E HN 0.385 nan 8.360 nan 0.000 0.443 271 R N 2.988 123.388 120.500 -0.166 0.000 2.756 271 R HA -0.026 4.319 4.340 0.008 0.000 0.264 271 R C 0.866 176.907 176.300 -0.431 0.000 1.026 271 R CA 0.688 56.466 56.100 -0.537 0.000 1.121 271 R CB 0.525 30.443 30.300 -0.636 0.000 0.999 271 R HN 0.745 nan 8.270 nan 0.000 0.449 272 A N 4.443 127.048 122.820 -0.358 0.000 1.908 272 A HA -0.218 4.107 4.320 0.008 0.000 0.218 272 A C 1.871 179.344 177.584 -0.184 0.000 1.181 272 A CA 1.435 53.381 52.037 -0.152 0.000 0.627 272 A CB -0.673 18.468 19.000 0.234 0.000 0.818 272 A HN 0.859 nan 8.150 nan 0.000 0.445 273 F N 1.638 121.426 119.950 -0.271 0.000 2.095 273 F HA -0.244 4.288 4.527 0.009 0.000 0.298 273 F C 1.870 177.501 175.800 -0.281 0.000 1.104 273 F CA 2.314 60.204 58.000 -0.183 0.000 1.232 273 F CB -0.444 38.474 39.000 -0.138 0.000 0.987 273 F HN 0.281 nan 8.300 nan 0.000 0.475 274 N N -0.468 118.064 118.700 -0.279 0.000 2.309 274 N HA -0.148 4.597 4.740 0.008 0.000 0.182 274 N C 1.895 177.114 175.510 -0.484 0.000 1.018 274 N CA 1.342 54.160 53.050 -0.386 0.000 0.876 274 N CB -0.297 37.988 38.487 -0.337 0.000 0.972 274 N HN 0.377 nan 8.380 nan 0.000 0.434 275 M N -1.160 118.077 119.600 -0.605 0.000 2.216 275 M HA 0.055 4.540 4.480 0.008 0.000 0.264 275 M C 0.386 176.151 176.300 -0.892 0.000 1.080 275 M CA 1.339 56.129 55.300 -0.850 0.000 1.153 275 M CB 0.185 32.007 32.600 -1.296 0.000 1.356 275 M HN 0.051 nan 8.290 nan 0.000 0.432 276 F N -1.286 118.445 119.950 -0.364 0.000 2.731 276 F HA 0.256 4.789 4.527 0.009 0.000 0.298 276 F C 1.522 177.011 175.800 -0.518 0.000 1.106 276 F CA 0.097 57.827 58.000 -0.451 0.000 1.329 276 F CB -0.212 38.273 39.000 -0.859 0.000 1.100 276 F HN 0.027 nan 8.300 nan 0.000 0.592 277 I N -1.023 119.169 120.570 -0.631 0.000 3.744 277 I HA -0.041 4.134 4.170 0.008 0.000 0.240 277 I C 2.006 177.676 176.117 -0.745 0.000 1.096 277 I CA 0.244 60.871 61.300 -1.121 0.000 1.558 277 I CB -0.390 36.823 38.000 -1.312 0.000 1.531 277 I HN -0.136 nan 8.210 nan 0.000 0.459 278 L N 0.965 121.775 121.223 -0.688 0.000 2.127 278 L HA -0.257 4.087 4.340 0.008 0.000 0.211 278 L C 2.041 178.778 176.870 -0.222 0.000 1.089 278 L CA 1.720 56.351 54.840 -0.349 0.000 0.757 278 L CB -0.631 41.182 42.059 -0.411 0.000 0.899 278 L HN 0.404 nan 8.230 nan 0.000 0.434 279 D N -0.304 119.913 120.400 -0.304 0.000 2.078 279 D HA -0.129 4.516 4.640 0.008 0.000 0.193 279 D C -0.533 175.750 176.300 -0.029 0.000 0.990 279 D CA 1.112 55.003 54.000 -0.182 0.000 0.827 279 D CB -0.583 40.090 40.800 -0.213 0.000 0.975 279 D HN 0.058 nan 8.370 nan 0.000 0.451 280 P HA -0.151 nan 4.420 nan 0.000 0.215 280 P C 1.447 178.779 177.300 0.052 0.000 1.163 280 P CA 1.246 64.366 63.100 0.033 0.000 0.894 280 P CB -0.021 31.756 31.700 0.128 0.000 0.791 281 I N -2.605 118.034 120.570 0.114 0.000 2.208 281 I HA -0.254 3.921 4.170 0.008 0.000 0.245 281 I C 2.115 178.284 176.117 0.086 0.000 1.097 281 I CA 1.433 62.796 61.300 0.105 0.000 1.363 281 I CB -0.689 37.331 38.000 0.034 0.000 1.051 281 I HN -0.160 nan 8.210 nan 0.000 0.413 282 F N 0.917 120.802 119.950 -0.109 0.000 2.216 282 F HA -0.158 4.373 4.527 0.007 0.000 0.300 282 F C 2.577 178.386 175.800 0.016 0.000 1.085 282 F CA 1.367 59.318 58.000 -0.081 0.000 1.326 282 F CB -0.389 38.560 39.000 -0.085 0.000 1.027 282 F HN -0.056 nan 8.300 nan 0.000 0.497 283 R N -0.179 120.424 120.500 0.172 0.000 2.062 283 R HA -0.069 4.276 4.340 0.008 0.000 0.229 283 R C 2.280 178.623 176.300 0.072 0.000 1.128 283 R CA 1.153 57.310 56.100 0.096 0.000 0.960 283 R CB -0.961 29.364 30.300 0.042 0.000 0.855 283 R HN 0.308 nan 8.270 nan 0.000 0.432 284 L N -0.035 121.221 121.223 0.056 0.000 2.043 284 L HA -0.225 4.120 4.340 0.008 0.000 0.212 284 L C 2.377 179.280 176.870 0.054 0.000 1.075 284 L CA 1.616 56.464 54.840 0.012 0.000 0.752 284 L CB -0.490 41.546 42.059 -0.040 0.000 0.891 284 L HN 0.113 nan 8.230 nan 0.000 0.432 285 F N -0.107 119.784 119.950 -0.098 0.000 2.102 285 F HA -0.233 4.300 4.527 0.009 0.000 0.298 285 F C 2.678 178.415 175.800 -0.105 0.000 1.105 285 F CA 1.761 59.699 58.000 -0.102 0.000 1.239 285 F CB -0.464 38.453 39.000 -0.138 0.000 0.991 285 F HN 0.026 nan 8.300 nan 0.000 0.474 286 T N -0.264 114.358 114.554 0.113 0.000 2.821 286 T HA -0.154 4.200 4.350 0.008 0.000 0.267 286 T C 2.097 176.782 174.700 -0.024 0.000 1.046 286 T CA 1.044 63.166 62.100 0.035 0.000 1.139 286 T CB -0.606 68.298 68.868 0.061 0.000 0.871 286 T HN 0.296 nan 8.240 nan 0.000 0.454 287 A N 1.640 124.447 122.820 -0.021 0.000 1.825 287 A HA 0.038 4.363 4.320 0.008 0.000 0.214 287 A C 2.305 179.831 177.584 -0.097 0.000 1.206 287 A CA 1.128 53.139 52.037 -0.044 0.000 0.609 287 A CB -0.900 18.081 19.000 -0.032 0.000 0.851 287 A HN 0.449 nan 8.150 nan 0.000 0.445 288 I N -0.464 120.032 120.570 -0.123 0.000 2.151 288 I HA -0.288 3.887 4.170 0.008 0.000 0.243 288 I C 2.276 178.183 176.117 -0.351 0.000 1.080 288 I CA 1.367 62.559 61.300 -0.179 0.000 1.339 288 I CB -0.375 37.512 38.000 -0.189 0.000 1.039 288 I HN 0.276 nan 8.210 nan 0.000 0.409 289 M N 0.079 119.462 119.600 -0.362 0.000 2.700 289 M HA -0.103 4.382 4.480 0.008 0.000 0.249 289 M C 0.798 176.693 176.300 -0.674 0.000 1.082 289 M CA 1.305 56.300 55.300 -0.508 0.000 1.077 289 M CB -1.412 31.019 32.600 -0.282 0.000 1.477 289 M HN 0.234 nan 8.290 nan 0.000 0.529 290 N N -0.840 117.567 118.700 -0.488 0.000 2.184 290 N HA 0.143 4.888 4.740 0.008 0.000 0.206 290 N C -0.498 174.915 175.510 -0.163 0.000 1.151 290 N CA 0.016 52.880 53.050 -0.311 0.000 0.878 290 N CB 0.246 38.670 38.487 -0.105 0.000 1.014 290 N HN 0.041 nan 8.380 nan 0.000 0.512 291 F N -0.141 119.799 119.950 -0.015 0.000 3.084 291 F HA -0.286 4.246 4.527 0.009 0.000 0.286 291 F C -0.135 175.657 175.800 -0.013 0.000 0.855 291 F CA 0.284 58.273 58.000 -0.017 0.000 1.091 291 F CB -2.157 36.835 39.000 -0.014 0.000 1.177 291 F HN 0.024 nan 8.300 nan 0.000 0.542 292 K N 1.702 122.156 120.400 0.091 0.000 2.083 292 K HA 0.067 4.392 4.320 0.008 0.000 0.246 292 K C 1.310 177.940 176.600 0.050 0.000 1.160 292 K CA 0.074 56.399 56.287 0.063 0.000 1.060 292 K CB 0.073 32.589 32.500 0.028 0.000 1.417 292 K HN 0.515 nan 8.250 nan 0.000 0.329 293 K N 0.370 120.809 120.400 0.065 0.000 2.362 293 K HA -0.193 4.132 4.320 0.008 0.000 0.202 293 K C 0.467 177.080 176.600 0.022 0.000 1.045 293 K CA 1.215 57.528 56.287 0.043 0.000 0.936 293 K CB 0.112 32.636 32.500 0.040 0.000 0.747 293 K HN 0.286 nan 8.250 nan 0.000 0.467 294 D N 1.350 121.762 120.400 0.020 0.000 2.137 294 D HA -0.130 4.514 4.640 0.008 0.000 0.202 294 D C 1.907 178.210 176.300 0.005 0.000 0.970 294 D CA 1.179 55.186 54.000 0.011 0.000 0.837 294 D CB 0.128 40.935 40.800 0.011 0.000 0.981 294 D HN 0.473 nan 8.370 nan 0.000 0.475 295 E N 0.764 120.967 120.200 0.005 0.000 2.051 295 E HA -0.054 4.300 4.350 0.008 0.000 0.189 295 E C 2.311 178.904 176.600 -0.012 0.000 0.979 295 E CA 0.325 56.723 56.400 -0.003 0.000 0.803 295 E CB -0.086 29.612 29.700 -0.003 0.000 0.761 295 E HN 0.103 nan 8.360 nan 0.000 0.451 296 I N 2.307 122.869 120.570 -0.012 0.000 2.121 296 I HA -0.311 3.864 4.170 0.008 0.000 0.243 296 I C -0.567 175.533 176.117 -0.028 0.000 1.047 296 I CA 1.849 63.134 61.300 -0.024 0.000 1.308 296 I CB -1.669 36.323 38.000 -0.013 0.000 1.015 296 I HN 0.315 nan 8.210 nan 0.000 0.410 297 P HA -0.099 nan 4.420 nan 0.000 0.216 297 P C 1.961 179.249 177.300 -0.021 0.000 1.153 297 P CA 1.534 64.624 63.100 -0.017 0.000 0.848 297 P CB -0.066 31.628 31.700 -0.009 0.000 0.787 298 V N 0.597 120.500 119.914 -0.018 0.000 2.261 298 V HA -0.215 3.910 4.120 0.008 0.000 0.246 298 V C 2.778 178.856 176.094 -0.027 0.000 1.047 298 V CA 1.660 63.949 62.300 -0.017 0.000 1.015 298 V CB -1.525 30.291 31.823 -0.012 0.000 0.642 298 V HN 0.008 nan 8.190 nan 0.000 0.446 299 L N -0.533 120.670 121.223 -0.033 0.000 2.043 299 L HA -0.182 4.163 4.340 0.008 0.000 0.212 299 L C 2.189 179.013 176.870 -0.077 0.000 1.075 299 L CA 1.908 56.718 54.840 -0.050 0.000 0.752 299 L CB -0.688 41.340 42.059 -0.053 0.000 0.891 299 L HN 0.181 nan 8.230 nan 0.000 0.432 300 L N -0.221 120.956 121.223 -0.076 0.000 1.994 300 L HA -0.225 4.119 4.340 0.008 0.000 0.208 300 L C 2.632 179.462 176.870 -0.067 0.000 1.071 300 L CA 2.088 56.874 54.840 -0.090 0.000 0.745 300 L CB -0.896 41.123 42.059 -0.067 0.000 0.892 300 L HN 0.474 nan 8.230 nan 0.000 0.431 301 E N -0.518 119.657 120.200 -0.041 0.000 2.171 301 E HA -0.314 4.041 4.350 0.008 0.000 0.197 301 E C 2.195 178.781 176.600 -0.024 0.000 0.997 301 E CA 1.377 57.761 56.400 -0.026 0.000 0.810 301 E CB 0.011 29.701 29.700 -0.017 0.000 0.738 301 E HN 0.365 nan 8.360 nan 0.000 0.467 302 K N 0.039 120.420 120.400 -0.030 0.000 2.148 302 K HA -0.055 4.270 4.320 0.008 0.000 0.204 302 K C 1.698 178.287 176.600 -0.018 0.000 1.050 302 K CA 0.751 57.026 56.287 -0.020 0.000 0.942 302 K CB 0.110 32.600 32.500 -0.017 0.000 0.724 302 K HN 0.185 nan 8.250 nan 0.000 0.446 303 L N 0.440 121.635 121.223 -0.048 0.000 2.611 303 L HA 0.115 4.460 4.340 0.008 0.000 0.229 303 L C 0.089 176.966 176.870 0.011 0.000 1.137 303 L CA 0.018 54.837 54.840 -0.035 0.000 0.901 303 L CB -0.094 41.835 42.059 -0.215 0.000 1.098 303 L HN 0.286 nan 8.230 nan 0.000 0.456 304 E N 1.416 121.615 120.200 -0.002 0.000 2.389 304 E HA -0.235 4.120 4.350 0.008 0.000 0.243 304 E C -0.251 176.363 176.600 0.023 0.000 1.154 304 E CA 0.044 56.452 56.400 0.012 0.000 0.723 304 E CB -0.837 28.877 29.700 0.023 0.000 1.261 304 E HN 0.469 nan 8.360 nan 0.000 0.390 305 I N 2.019 122.588 120.570 -0.001 0.000 2.306 305 I HA 0.170 4.345 4.170 0.008 0.000 0.288 305 I C 0.499 176.617 176.117 0.002 0.000 1.036 305 I CA -0.937 60.369 61.300 0.009 0.000 1.221 305 I CB 1.003 38.983 38.000 -0.033 0.000 1.385 305 I HN 0.040 nan 8.210 nan 0.000 0.472 306 V N 6.104 126.027 119.914 0.015 0.000 2.334 306 V HA 0.428 4.553 4.120 0.008 0.000 0.267 306 V C 0.096 176.196 176.094 0.011 0.000 1.040 306 V CA -0.675 61.630 62.300 0.009 0.000 0.866 306 V CB 0.646 32.476 31.823 0.012 0.000 1.019 306 V HN 0.500 nan 8.190 nan 0.000 0.468 307 L N 4.341 125.566 121.223 0.004 0.000 2.461 307 L HA 0.382 4.727 4.340 0.008 0.000 0.272 307 L C 0.885 177.759 176.870 0.007 0.000 1.197 307 L CA 0.039 54.882 54.840 0.005 0.000 0.836 307 L CB 0.566 42.624 42.059 -0.001 0.000 1.105 307 L HN 0.580 nan 8.230 nan 0.000 0.477 308 K N 2.397 122.803 120.400 0.010 0.000 2.357 308 K HA 0.238 4.563 4.320 0.008 0.000 0.251 308 K C 0.665 177.269 176.600 0.007 0.000 1.069 308 K CA 0.550 56.843 56.287 0.009 0.000 0.994 308 K CB 0.882 33.389 32.500 0.012 0.000 1.411 308 K HN 0.855 nan 8.250 nan 0.000 0.450 309 G N 4.035 112.837 108.800 0.005 0.000 2.952 309 G HA2 -0.471 3.494 3.960 0.008 0.000 0.346 309 G HA3 -0.471 3.494 3.960 0.008 0.000 0.346 309 G C 1.052 175.953 174.900 0.003 0.000 1.191 309 G CA 0.880 45.982 45.100 0.003 0.000 0.961 309 G HN 0.622 nan 8.290 nan 0.000 0.588 310 D N 1.407 121.809 120.400 0.003 0.000 2.158 310 D HA -0.062 4.583 4.640 0.008 0.000 0.197 310 D C 2.486 178.788 176.300 0.003 0.000 0.995 310 D CA 1.867 55.869 54.000 0.003 0.000 0.846 310 D CB -0.423 40.380 40.800 0.004 0.000 0.941 310 D HN 0.753 nan 8.370 nan 0.000 0.456 311 E N 0.012 120.214 120.200 0.004 0.000 2.204 311 E HA -0.139 4.216 4.350 0.008 0.000 0.194 311 E C 2.089 178.690 176.600 0.001 0.000 0.989 311 E CA 0.514 56.916 56.400 0.003 0.000 0.824 311 E CB 0.011 29.714 29.700 0.006 0.000 0.756 311 E HN 0.338 nan 8.360 nan 0.000 0.477 312 K N 1.129 121.529 120.400 0.001 0.000 2.113 312 K HA -0.214 4.111 4.320 0.008 0.000 0.208 312 K C 1.804 178.405 176.600 0.001 0.000 1.047 312 K CA 1.843 58.130 56.287 -0.000 0.000 0.928 312 K CB -0.204 32.296 32.500 -0.000 0.000 0.716 312 K HN 0.255 nan 8.250 nan 0.000 0.446 313 D N 0.287 120.687 120.400 0.000 0.000 2.277 313 D HA -0.072 4.573 4.640 0.008 0.000 0.208 313 D C 0.507 176.808 176.300 0.003 0.000 0.962 313 D CA 0.243 54.242 54.000 -0.001 0.000 0.865 313 D CB -0.181 40.617 40.800 -0.005 0.000 0.939 313 D HN 0.019 nan 8.370 nan 0.000 0.510 314 L N 1.002 122.228 121.223 0.005 0.000 2.499 314 L HA 0.144 4.489 4.340 0.008 0.000 0.281 314 L C 0.607 177.496 176.870 0.032 0.000 1.234 314 L CA 0.463 55.309 54.840 0.011 0.000 0.839 314 L CB 0.119 42.179 42.059 0.003 0.000 1.104 314 L HN 0.335 nan 8.230 nan 0.000 0.500 315 E N 0.653 120.890 120.200 0.061 0.000 2.407 315 E HA 0.656 5.011 4.350 0.008 0.000 0.279 315 E C -0.136 176.603 176.600 0.231 0.000 1.012 315 E CA -0.510 55.984 56.400 0.158 0.000 0.800 315 E CB 1.766 31.573 29.700 0.178 0.000 1.276 315 E HN 0.729 nan 8.360 nan 0.000 0.452 316 G N 1.969 110.957 108.800 0.313 0.000 2.512 316 G HA2 -0.347 3.618 3.960 0.008 0.000 0.240 316 G HA3 -0.347 3.618 3.960 0.008 0.000 0.240 316 G C 0.508 175.389 174.900 -0.030 0.000 1.246 316 G CA 0.231 45.437 45.100 0.177 0.000 0.919 316 G HN 0.601 nan 8.290 nan 0.000 0.577 317 K N 0.164 120.544 120.400 -0.033 0.000 2.001 317 K HA -0.036 4.289 4.320 0.008 0.000 0.214 317 K C 3.155 179.677 176.600 -0.130 0.000 1.050 317 K CA 2.260 58.480 56.287 -0.111 0.000 0.934 317 K CB -0.602 31.874 32.500 -0.039 0.000 0.718 317 K HN 0.949 nan 8.250 nan 0.000 0.443 318 A N 1.638 124.428 122.820 -0.050 0.000 1.929 318 A HA -0.261 4.063 4.320 0.008 0.000 0.221 318 A C 2.122 179.670 177.584 -0.059 0.000 1.211 318 A CA 2.035 54.048 52.037 -0.039 0.000 0.657 318 A CB -0.784 18.215 19.000 -0.001 0.000 0.827 318 A HN 0.321 nan 8.150 nan 0.000 0.462 319 L N -1.126 120.065 121.223 -0.055 0.000 1.993 319 L HA -0.037 4.307 4.340 0.008 0.000 0.206 319 L C 2.248 179.047 176.870 -0.120 0.000 1.074 319 L CA 2.230 57.033 54.840 -0.061 0.000 0.746 319 L CB -0.854 41.186 42.059 -0.032 0.000 0.896 319 L HN 0.347 nan 8.230 nan 0.000 0.435 320 L N 0.579 121.683 121.223 -0.198 0.000 2.064 320 L HA -0.303 4.042 4.340 0.008 0.000 0.216 320 L C 2.606 179.321 176.870 -0.259 0.000 1.077 320 L CA 2.660 57.321 54.840 -0.299 0.000 0.766 320 L CB -1.026 40.736 42.059 -0.496 0.000 0.890 320 L HN 0.576 nan 8.230 nan 0.000 0.435 321 K N -1.349 118.868 120.400 -0.305 0.000 2.103 321 K HA -0.146 4.179 4.320 0.008 0.000 0.207 321 K C 1.640 178.218 176.600 -0.036 0.000 1.048 321 K CA 2.052 58.205 56.287 -0.224 0.000 0.930 321 K CB -0.199 32.180 32.500 -0.202 0.000 0.716 321 K HN 0.334 nan 8.250 nan 0.000 0.444 322 V N 0.113 120.004 119.914 -0.038 0.000 2.649 322 V HA -0.106 4.019 4.120 0.008 0.000 0.248 322 V C 2.144 178.256 176.094 0.030 0.000 1.054 322 V CA 0.962 63.269 62.300 0.011 0.000 1.073 322 V CB 0.390 32.214 31.823 0.002 0.000 0.699 322 V HN 0.161 nan 8.190 nan 0.000 0.463 323 V N -0.486 119.427 119.914 -0.003 0.000 2.307 323 V HA -0.240 3.884 4.120 0.008 0.000 0.245 323 V C 2.544 178.691 176.094 0.089 0.000 1.045 323 V CA 1.728 64.032 62.300 0.007 0.000 1.024 323 V CB -0.624 31.161 31.823 -0.063 0.000 0.651 323 V HN 0.379 nan 8.190 nan 0.000 0.449 324 M N -0.198 119.456 119.600 0.089 0.000 2.202 324 M HA -0.147 4.338 4.480 0.008 0.000 0.262 324 M C 2.328 178.798 176.300 0.283 0.000 1.063 324 M CA 1.695 57.102 55.300 0.179 0.000 1.097 324 M CB -1.117 31.552 32.600 0.114 0.000 1.382 324 M HN 0.361 nan 8.290 nan 0.000 0.413 325 R N -0.196 120.444 120.500 0.233 0.000 2.092 325 R HA -0.117 4.228 4.340 0.008 0.000 0.231 325 R C 2.210 178.614 176.300 0.174 0.000 1.119 325 R CA 1.103 57.332 56.100 0.215 0.000 0.970 325 R CB -0.315 30.080 30.300 0.159 0.000 0.864 325 R HN 0.293 nan 8.270 nan 0.000 0.440 326 K N 0.016 120.511 120.400 0.158 0.000 2.167 326 K HA -0.080 4.244 4.320 0.008 0.000 0.203 326 K C 1.732 178.451 176.600 0.198 0.000 1.052 326 K CA 0.713 57.084 56.287 0.140 0.000 0.956 326 K CB -0.107 32.457 32.500 0.107 0.000 0.735 326 K HN -0.048 nan 8.250 nan 0.000 0.451 327 F N 0.992 120.966 119.950 0.039 0.000 2.009 327 F HA 0.059 4.590 4.527 0.007 0.000 0.293 327 F C 0.337 176.161 175.800 0.040 0.000 1.156 327 F CA 1.234 59.248 58.000 0.024 0.000 1.168 327 F CB -0.013 38.990 39.000 0.006 0.000 0.981 327 F HN -0.169 nan 8.300 nan 0.000 0.475 328 L N 1.707 122.914 121.223 -0.026 0.000 2.445 328 L HA 0.326 4.671 4.340 0.008 0.000 0.252 328 L C -2.472 174.493 176.870 0.157 0.000 1.105 328 L CA -1.929 52.867 54.840 -0.073 0.000 0.943 328 L CB 0.868 42.891 42.059 -0.059 0.000 1.277 328 L HN -0.077 nan 8.230 nan 0.000 0.465 329 P HA -0.047 nan 4.420 nan 0.000 0.254 329 P C 0.899 178.267 177.300 0.112 0.000 1.186 329 P CA 0.249 63.419 63.100 0.116 0.000 0.868 329 P CB 1.030 32.771 31.700 0.068 0.000 0.856 330 A N 5.447 128.355 122.820 0.146 0.000 1.927 330 A HA -0.289 4.035 4.320 0.008 0.000 0.220 330 A C 2.212 179.818 177.584 0.036 0.000 1.185 330 A CA 2.386 54.474 52.037 0.085 0.000 0.639 330 A CB -1.475 17.558 19.000 0.054 0.000 0.820 330 A HN 0.471 nan 8.150 nan 0.000 0.451 331 A N -0.034 122.810 122.820 0.041 0.000 1.917 331 A HA -0.255 4.070 4.320 0.008 0.000 0.219 331 A C 1.707 179.299 177.584 0.013 0.000 1.182 331 A CA 2.227 54.278 52.037 0.024 0.000 0.633 331 A CB -0.829 18.192 19.000 0.035 0.000 0.819 331 A HN 0.577 nan 8.150 nan 0.000 0.448 332 D N -0.300 120.111 120.400 0.019 0.000 2.183 332 D HA 0.123 4.768 4.640 0.008 0.000 0.203 332 D C 2.174 178.473 176.300 -0.002 0.000 0.969 332 D CA 1.176 55.180 54.000 0.007 0.000 0.842 332 D CB -0.183 40.622 40.800 0.008 0.000 0.957 332 D HN 0.460 nan 8.370 nan 0.000 0.484 333 A N 0.526 123.349 122.820 0.006 0.000 1.902 333 A HA -0.140 4.185 4.320 0.008 0.000 0.217 333 A C 2.122 179.690 177.584 -0.026 0.000 1.181 333 A CA 1.022 53.060 52.037 0.002 0.000 0.623 333 A CB -0.750 18.258 19.000 0.013 0.000 0.818 333 A HN 0.190 nan 8.150 nan 0.000 0.443 334 L N -0.760 120.440 121.223 -0.037 0.000 2.027 334 L HA -0.115 4.230 4.340 0.008 0.000 0.206 334 L C 2.426 179.269 176.870 -0.045 0.000 1.074 334 L CA 0.938 55.746 54.840 -0.053 0.000 0.745 334 L CB -0.672 41.354 42.059 -0.054 0.000 0.898 334 L HN 0.322 nan 8.230 nan 0.000 0.433 335 L N -0.117 121.084 121.223 -0.035 0.000 2.353 335 L HA -0.194 4.151 4.340 0.008 0.000 0.220 335 L C 2.588 179.416 176.870 -0.070 0.000 1.133 335 L CA 0.939 55.751 54.840 -0.046 0.000 0.798 335 L CB -0.460 41.581 42.059 -0.031 0.000 0.922 335 L HN 0.413 nan 8.230 nan 0.000 0.445 336 E N 0.560 120.730 120.200 -0.051 0.000 2.046 336 E HA -0.188 4.167 4.350 0.008 0.000 0.190 336 E C 2.349 178.915 176.600 -0.057 0.000 0.982 336 E CA 0.895 57.261 56.400 -0.056 0.000 0.800 336 E CB 0.052 29.742 29.700 -0.017 0.000 0.756 336 E HN 0.448 nan 8.360 nan 0.000 0.449 337 M N 0.467 120.061 119.600 -0.010 0.000 2.132 337 M HA -0.137 4.348 4.480 0.008 0.000 0.263 337 M C 2.422 178.721 176.300 -0.003 0.000 1.065 337 M CA 1.187 56.525 55.300 0.064 0.000 1.122 337 M CB -0.358 32.250 32.600 0.013 0.000 1.365 337 M HN 0.184 nan 8.290 nan 0.000 0.411 338 I N -0.149 120.385 120.570 -0.061 0.000 2.151 338 I HA -0.290 3.884 4.170 0.008 0.000 0.243 338 I C 2.328 178.346 176.117 -0.166 0.000 1.080 338 I CA 1.357 62.605 61.300 -0.087 0.000 1.339 338 I CB -0.503 37.449 38.000 -0.081 0.000 1.039 338 I HN 0.093 nan 8.210 nan 0.000 0.409 339 V N 0.765 120.521 119.914 -0.263 0.000 2.323 339 V HA -0.203 3.921 4.120 0.008 0.000 0.244 339 V C 2.199 178.010 176.094 -0.471 0.000 1.041 339 V CA 1.482 63.483 62.300 -0.498 0.000 1.025 339 V CB -0.498 30.912 31.823 -0.689 0.000 0.656 339 V HN 0.365 nan 8.190 nan 0.000 0.451 340 L N -0.926 120.062 121.223 -0.392 0.000 2.395 340 L HA 0.009 4.354 4.340 0.008 0.000 0.218 340 L C 2.205 178.658 176.870 -0.694 0.000 1.130 340 L CA 0.964 55.499 54.840 -0.508 0.000 0.826 340 L CB -0.432 41.303 42.059 -0.539 0.000 0.941 340 L HN 0.465 nan 8.230 nan 0.000 0.451 341 H N -1.678 117.324 119.070 -0.113 0.000 3.067 341 H HA 0.319 4.881 4.556 0.009 0.000 0.241 341 H C 0.693 175.980 175.328 -0.069 0.000 0.961 341 H CA -0.286 55.714 56.048 -0.080 0.000 1.123 341 H CB 0.785 30.499 29.762 -0.080 0.000 1.448 341 H HN 0.096 nan 8.280 nan 0.000 0.457 342 L N 5.147 126.377 121.223 0.013 0.000 2.380 342 L HA 0.171 4.516 4.340 0.008 0.000 0.273 342 L C -1.947 174.918 176.870 -0.009 0.000 1.138 342 L CA -1.627 53.213 54.840 -0.000 0.000 0.832 342 L CB 0.642 42.688 42.059 -0.023 0.000 1.124 342 L HN -0.081 nan 8.230 nan 0.000 0.454 343 P HA 0.059 nan 4.420 nan 0.000 0.271 343 P C -0.540 176.769 177.300 0.015 0.000 1.218 343 P CA -0.397 62.727 63.100 0.040 0.000 0.780 343 P CB 1.199 32.961 31.700 0.102 0.000 0.901 344 S N 2.204 117.913 115.700 0.014 0.000 2.645 344 S HA 0.332 4.807 4.470 0.008 0.000 0.266 344 S C -2.021 172.572 174.600 -0.012 0.000 1.258 344 S CA -1.335 56.872 58.200 0.012 0.000 0.990 344 S CB -0.195 63.026 63.200 0.035 0.000 0.967 344 S HN 0.252 nan 8.310 nan 0.000 0.556 345 P HA 0.183 nan 4.420 nan 0.000 0.269 345 P C 0.231 177.505 177.300 -0.044 0.000 1.461 345 P CA 0.178 63.248 63.100 -0.050 0.000 0.809 345 P CB -0.064 31.593 31.700 -0.072 0.000 1.503 346 V N -2.375 117.519 119.914 -0.033 0.000 3.137 346 V HA -0.063 4.062 4.120 0.008 0.000 0.236 346 V C 2.044 178.114 176.094 -0.040 0.000 1.260 346 V CA 1.314 63.597 62.300 -0.028 0.000 1.244 346 V CB -0.751 31.068 31.823 -0.006 0.000 1.016 346 V HN 0.077 nan 8.190 nan 0.000 0.477 347 T N 1.089 115.628 114.554 -0.024 0.000 2.812 347 T HA -0.041 4.314 4.350 0.008 0.000 0.264 347 T C 2.006 176.624 174.700 -0.137 0.000 1.042 347 T CA 1.585 63.691 62.100 0.009 0.000 1.140 347 T CB -0.294 68.621 68.868 0.078 0.000 0.870 347 T HN 0.461 nan 8.240 nan 0.000 0.445 348 A N 1.656 124.304 122.820 -0.288 0.000 1.897 348 A HA -0.064 4.261 4.320 0.008 0.000 0.215 348 A C 2.313 179.378 177.584 -0.864 0.000 1.181 348 A CA 0.939 52.472 52.037 -0.839 0.000 0.620 348 A CB -0.578 18.221 19.000 -0.336 0.000 0.821 348 A HN 0.493 nan 8.150 nan 0.000 0.443 349 Q N -0.519 119.075 119.800 -0.345 0.000 2.291 349 Q HA -0.071 4.274 4.340 0.008 0.000 0.206 349 Q C 2.222 178.110 176.000 -0.188 0.000 0.976 349 Q CA 0.967 56.666 55.803 -0.174 0.000 0.875 349 Q CB -0.329 28.409 28.738 -0.001 0.000 0.927 349 Q HN 0.697 nan 8.270 nan 0.000 0.450 350 A N 0.850 123.543 122.820 -0.212 0.000 1.969 350 A HA -0.160 4.165 4.320 0.008 0.000 0.218 350 A C 1.486 179.061 177.584 -0.014 0.000 1.169 350 A CA 1.130 53.121 52.037 -0.078 0.000 0.635 350 A CB -0.396 18.601 19.000 -0.005 0.000 0.810 350 A HN 0.596 nan 8.150 nan 0.000 0.445 351 Y N -3.888 116.415 120.300 0.004 0.000 2.531 351 Y HA 0.600 5.156 4.550 0.008 0.000 0.249 351 Y C 1.541 177.436 175.900 -0.009 0.000 1.168 351 Y CA -0.344 57.754 58.100 -0.004 0.000 1.226 351 Y CB -0.056 38.403 38.460 -0.002 0.000 1.177 351 Y HN 0.079 nan 8.280 nan 0.000 0.527 352 R N -0.013 120.408 120.500 -0.133 0.000 2.344 352 R HA 0.388 4.732 4.340 0.008 0.000 0.209 352 R C 2.181 178.423 176.300 -0.096 0.000 0.886 352 R CA 0.759 56.821 56.100 -0.064 0.000 1.040 352 R CB 0.174 30.386 30.300 -0.147 0.000 1.114 352 R HN 0.354 nan 8.270 nan 0.000 0.547 353 A N 1.696 124.449 122.820 -0.112 0.000 1.859 353 A HA -0.267 4.058 4.320 0.008 0.000 0.218 353 A C 1.718 179.261 177.584 -0.069 0.000 1.209 353 A CA 1.874 53.834 52.037 -0.128 0.000 0.639 353 A CB -0.599 18.342 19.000 -0.099 0.000 0.835 353 A HN 0.387 nan 8.150 nan 0.000 0.450 354 E N -1.020 119.169 120.200 -0.019 0.000 2.114 354 E HA -0.311 4.044 4.350 0.008 0.000 0.199 354 E C 2.248 178.853 176.600 0.008 0.000 1.008 354 E CA 1.592 58.002 56.400 0.017 0.000 0.810 354 E CB -0.198 29.513 29.700 0.019 0.000 0.739 354 E HN 0.793 nan 8.360 nan 0.000 0.456 355 Q N 0.140 119.932 119.800 -0.014 0.000 2.230 355 Q HA -0.080 4.265 4.340 0.008 0.000 0.202 355 Q C 1.860 177.824 176.000 -0.059 0.000 0.963 355 Q CA 0.681 56.469 55.803 -0.025 0.000 0.866 355 Q CB 0.222 28.953 28.738 -0.011 0.000 0.931 355 Q HN 0.314 nan 8.270 nan 0.000 0.452 356 L N -0.555 120.604 121.223 -0.107 0.000 2.585 356 L HA 0.131 4.475 4.340 0.008 0.000 0.226 356 L C -0.035 176.792 176.870 -0.073 0.000 1.113 356 L CA -0.231 54.500 54.840 -0.182 0.000 0.876 356 L CB 0.323 42.120 42.059 -0.437 0.000 1.072 356 L HN 0.138 nan 8.230 nan 0.000 0.468 357 Y N 0.425 120.634 120.300 -0.152 0.000 2.331 357 Y HA 0.243 4.797 4.550 0.008 0.000 0.338 357 Y C 0.691 176.548 175.900 -0.071 0.000 0.992 357 Y CA -1.053 56.991 58.100 -0.094 0.000 1.121 357 Y CB 1.329 39.736 38.460 -0.089 0.000 1.184 357 Y HN -0.092 nan 8.280 nan 0.000 0.469 358 E N 2.995 122.905 120.200 -0.483 0.000 2.370 358 E HA 0.292 4.646 4.350 0.008 0.000 0.194 358 E C 0.200 176.402 176.600 -0.663 0.000 1.057 358 E CA 0.056 56.220 56.400 -0.394 0.000 1.011 358 E CB -0.197 29.377 29.700 -0.211 0.000 1.132 358 E HN 0.855 nan 8.360 nan 0.000 0.450 359 G N -0.003 108.163 108.800 -1.057 0.000 3.209 359 G HA2 0.444 4.408 3.960 0.008 0.000 0.236 359 G HA3 0.444 4.408 3.960 0.008 0.000 0.236 359 G C -2.574 172.166 174.900 -0.267 0.000 1.329 359 G CA -1.470 43.013 45.100 -1.029 0.000 1.015 359 G HN -0.032 nan 8.290 nan 0.000 0.571 360 P HA 0.279 nan 4.420 nan 0.000 0.271 360 P C 0.482 177.848 177.300 0.111 0.000 1.233 360 P CA 0.148 63.266 63.100 0.029 0.000 0.764 360 P CB 1.329 33.056 31.700 0.044 0.000 0.825 361 A N 3.312 126.167 122.820 0.059 0.000 2.272 361 A HA -0.147 4.178 4.320 0.008 0.000 0.213 361 A C 0.808 178.407 177.584 0.024 0.000 1.183 361 A CA 1.546 53.614 52.037 0.051 0.000 0.719 361 A CB -0.900 18.115 19.000 0.025 0.000 0.771 361 A HN 0.622 nan 8.150 nan 0.000 0.484 362 D N -1.953 118.463 120.400 0.026 0.000 2.520 362 D HA 0.161 4.806 4.640 0.008 0.000 0.223 362 D C 0.176 176.482 176.300 0.010 0.000 1.186 362 D CA -0.186 53.819 54.000 0.009 0.000 0.821 362 D CB -0.385 40.421 40.800 0.011 0.000 1.072 362 D HN 0.305 nan 8.370 nan 0.000 0.518 363 D N 0.387 120.807 120.400 0.034 0.000 2.443 363 D HA 0.190 4.835 4.640 0.008 0.000 0.234 363 D C 1.636 177.920 176.300 -0.026 0.000 1.172 363 D CA 0.552 54.582 54.000 0.050 0.000 0.878 363 D CB 1.092 41.998 40.800 0.176 0.000 1.204 363 D HN 0.070 nan 8.370 nan 0.000 0.453 364 A N 3.279 126.095 122.820 -0.006 0.000 1.986 364 A HA -0.279 4.045 4.320 0.008 0.000 0.220 364 A C 1.833 179.368 177.584 -0.083 0.000 1.171 364 A CA 2.005 54.025 52.037 -0.029 0.000 0.640 364 A CB -0.650 18.350 19.000 -0.001 0.000 0.811 364 A HN 0.751 nan 8.150 nan 0.000 0.451 365 N N -1.115 117.496 118.700 -0.149 0.000 2.220 365 N HA -0.085 4.660 4.740 0.008 0.000 0.182 365 N C 1.677 176.939 175.510 -0.414 0.000 1.023 365 N CA 1.166 54.059 53.050 -0.263 0.000 0.856 365 N CB -0.749 37.553 38.487 -0.308 0.000 0.997 365 N HN 0.521 nan 8.380 nan 0.000 0.429 366 C N 0.966 119.884 119.300 -0.638 0.000 2.396 366 C HA -0.099 4.366 4.460 0.008 0.000 0.277 366 C C 2.372 177.226 174.990 -0.227 0.000 1.231 366 C CA 0.733 59.445 59.018 -0.509 0.000 1.775 366 C CB -1.276 26.294 27.740 -0.283 0.000 2.036 366 C HN 0.392 nan 8.230 nan 0.000 0.484 367 I N 1.323 121.799 120.570 -0.156 0.000 2.142 367 I HA -0.156 4.019 4.170 0.008 0.000 0.240 367 I C 2.898 178.967 176.117 -0.080 0.000 1.078 367 I CA 1.699 62.947 61.300 -0.087 0.000 1.343 367 I CB -0.755 37.211 38.000 -0.057 0.000 1.046 367 I HN 0.385 nan 8.210 nan 0.000 0.405 368 A N 1.046 123.811 122.820 -0.091 0.000 2.032 368 A HA -0.178 4.147 4.320 0.008 0.000 0.221 368 A C 2.233 179.788 177.584 -0.049 0.000 1.165 368 A CA 1.392 53.393 52.037 -0.061 0.000 0.645 368 A CB -0.635 18.329 19.000 -0.059 0.000 0.807 368 A HN 0.370 nan 8.150 nan 0.000 0.453 369 I N -0.511 120.008 120.570 -0.085 0.000 2.193 369 I HA -0.181 3.994 4.170 0.008 0.000 0.240 369 I C 2.287 178.391 176.117 -0.022 0.000 1.084 369 I CA 1.487 62.762 61.300 -0.042 0.000 1.365 369 I CB -1.281 36.644 38.000 -0.126 0.000 1.064 369 I HN 0.344 nan 8.210 nan 0.000 0.410 370 K N 0.990 121.359 120.400 -0.052 0.000 2.044 370 K HA -0.161 4.164 4.320 0.008 0.000 0.210 370 K C 1.524 178.108 176.600 -0.026 0.000 1.049 370 K CA 1.466 57.728 56.287 -0.041 0.000 0.927 370 K CB -0.148 32.331 32.500 -0.035 0.000 0.713 370 K HN 0.334 nan 8.250 nan 0.000 0.443 371 N N 0.505 119.191 118.700 -0.023 0.000 2.461 371 N HA -0.065 4.680 4.740 0.008 0.000 0.188 371 N C 0.191 175.695 175.510 -0.010 0.000 1.134 371 N CA 0.404 53.445 53.050 -0.015 0.000 0.878 371 N CB -0.271 38.206 38.487 -0.016 0.000 0.972 371 N HN 0.207 nan 8.380 nan 0.000 0.456 372 C N 2.423 121.722 119.300 -0.003 0.000 3.744 372 C HA -0.240 4.224 4.460 0.008 0.000 0.288 372 C C 0.164 175.151 174.990 -0.005 0.000 1.423 372 C CA -0.312 58.709 59.018 0.005 0.000 2.060 372 C CB -2.512 25.226 27.740 -0.005 0.000 1.337 372 C HN 0.399 nan 8.230 nan 0.000 0.640 373 D N 1.596 121.992 120.400 -0.006 0.000 2.339 373 D HA 0.282 4.927 4.640 0.008 0.000 0.256 373 D C -0.455 175.840 176.300 -0.008 0.000 1.214 373 D CA -2.001 51.993 54.000 -0.010 0.000 0.877 373 D CB 0.957 41.750 40.800 -0.012 0.000 1.111 373 D HN 0.400 nan 8.370 nan 0.000 0.478 374 P HA -0.021 nan 4.420 nan 0.000 0.245 374 P C 0.471 177.765 177.300 -0.011 0.000 1.212 374 P CA 0.271 63.363 63.100 -0.013 0.000 0.774 374 P CB 0.470 32.159 31.700 -0.018 0.000 0.999 375 K N -0.403 119.991 120.400 -0.010 0.000 2.276 375 K HA 0.225 4.550 4.320 0.008 0.000 0.198 375 K C 1.430 178.025 176.600 -0.007 0.000 1.052 375 K CA 0.142 56.424 56.287 -0.009 0.000 0.984 375 K CB -0.146 32.348 32.500 -0.009 0.000 0.836 375 K HN 0.067 nan 8.250 nan 0.000 0.490 376 A N 2.106 124.921 122.820 -0.008 0.000 2.346 376 A HA 0.036 4.360 4.320 0.008 0.000 0.255 376 A C -0.060 177.522 177.584 -0.003 0.000 1.113 376 A CA -0.145 51.887 52.037 -0.008 0.000 0.798 376 A CB -0.007 18.984 19.000 -0.015 0.000 1.073 376 A HN 0.153 nan 8.150 nan 0.000 0.502 377 D N -0.251 120.149 120.400 -0.001 0.000 2.472 377 D HA 0.150 4.795 4.640 0.008 0.000 0.237 377 D C 0.195 176.504 176.300 0.015 0.000 1.141 377 D CA 0.162 54.166 54.000 0.008 0.000 0.875 377 D CB 0.448 41.256 40.800 0.014 0.000 1.192 377 D HN 0.370 nan 8.370 nan 0.000 0.450 378 L N 2.560 123.795 121.223 0.020 0.000 2.514 378 L HA -0.030 4.315 4.340 0.008 0.000 0.280 378 L C -0.069 176.837 176.870 0.059 0.000 1.223 378 L CA 0.817 55.676 54.840 0.032 0.000 0.864 378 L CB 0.146 42.219 42.059 0.023 0.000 1.118 378 L HN 0.297 nan 8.230 nan 0.000 0.494 379 M N 7.166 126.819 119.600 0.088 0.000 2.297 379 M HA 0.284 4.769 4.480 0.008 0.000 0.241 379 M C -1.221 175.204 176.300 0.209 0.000 1.106 379 M CA -0.112 55.276 55.300 0.147 0.000 0.809 379 M CB 0.755 33.433 32.600 0.131 0.000 2.236 379 M HN 0.507 nan 8.290 nan 0.000 0.362 380 L N 1.815 123.142 121.223 0.173 0.000 2.296 380 L HA 0.544 4.888 4.340 0.008 0.000 0.286 380 L C -1.461 175.556 176.870 0.245 0.000 1.023 380 L CA -0.718 54.224 54.840 0.169 0.000 0.812 380 L CB 1.589 43.689 42.059 0.067 0.000 1.223 380 L HN 0.556 nan 8.230 nan 0.000 0.421 381 Y N 4.708 125.122 120.300 0.191 0.000 2.335 381 Y HA 0.444 4.999 4.550 0.008 0.000 0.339 381 Y C -0.637 175.332 175.900 0.114 0.000 0.987 381 Y CA -0.519 57.707 58.100 0.211 0.000 1.140 381 Y CB 1.439 40.139 38.460 0.400 0.000 1.173 381 Y HN 0.284 nan 8.280 nan 0.000 0.486 382 V N 7.059 126.767 119.914 -0.343 0.000 2.334 382 V HA 0.074 4.198 4.120 0.008 0.000 0.267 382 V C 0.732 176.673 176.094 -0.257 0.000 1.040 382 V CA 0.497 62.683 62.300 -0.190 0.000 0.866 382 V CB 0.565 32.327 31.823 -0.102 0.000 1.019 382 V HN 1.000 nan 8.190 nan 0.000 0.468 383 S N 4.125 119.880 115.700 0.090 0.000 2.425 383 S HA 0.076 4.551 4.470 0.008 0.000 0.225 383 S C 0.544 175.312 174.600 0.280 0.000 1.024 383 S CA 0.288 58.678 58.200 0.317 0.000 0.951 383 S CB -0.026 63.473 63.200 0.498 0.000 0.796 383 S HN 0.863 nan 8.310 nan 0.000 0.498 384 K N -0.786 119.769 120.400 0.258 0.000 2.625 384 K HA 0.481 4.806 4.320 0.008 0.000 0.284 384 K C -1.551 175.149 176.600 0.167 0.000 0.984 384 K CA -0.940 55.442 56.287 0.158 0.000 0.865 384 K CB 0.671 33.255 32.500 0.140 0.000 1.468 384 K HN -0.100 nan 8.250 nan 0.000 0.407 385 M N 2.454 122.111 119.600 0.096 0.000 2.180 385 M HA 0.350 4.835 4.480 0.008 0.000 0.350 385 M C -0.908 175.540 176.300 0.246 0.000 1.125 385 M CA -0.969 54.436 55.300 0.176 0.000 1.031 385 M CB 1.217 33.869 32.600 0.087 0.000 1.623 385 M HN 0.600 nan 8.290 nan 0.000 0.451 386 V N 6.739 126.792 119.914 0.231 0.000 2.459 386 V HA 0.598 4.723 4.120 0.008 0.000 0.295 386 V C -2.423 173.593 176.094 -0.130 0.000 1.029 386 V CA -2.217 60.129 62.300 0.077 0.000 0.874 386 V CB 2.376 34.193 31.823 -0.009 0.000 0.985 386 V HN 0.595 nan 8.190 nan 0.000 0.438 387 P HA 0.235 nan 4.420 nan 0.000 0.267 387 P C -0.518 176.428 177.300 -0.590 0.000 1.205 387 P CA 0.356 62.937 63.100 -0.866 0.000 0.765 387 P CB 0.456 31.784 31.700 -0.620 0.000 0.828 388 T N -1.481 112.669 114.554 -0.673 0.000 2.940 388 T HA 0.369 4.724 4.350 0.008 0.000 0.288 388 T C 1.288 175.758 174.700 -0.383 0.000 1.045 388 T CA -0.158 61.601 62.100 -0.568 0.000 1.018 388 T CB 1.140 69.434 68.868 -0.958 0.000 1.151 388 T HN 0.239 nan 8.240 nan 0.000 0.529 389 S N -0.364 115.180 115.700 -0.261 0.000 2.414 389 S HA -0.028 4.447 4.470 0.008 0.000 0.227 389 S C 0.852 175.376 174.600 -0.127 0.000 1.022 389 S CA 0.749 58.855 58.200 -0.157 0.000 0.958 389 S CB -0.891 62.258 63.200 -0.086 0.000 0.797 389 S HN 0.871 nan 8.310 nan 0.000 0.493 390 D N 2.219 122.542 120.400 -0.129 0.000 2.479 390 D HA 0.286 4.931 4.640 0.008 0.000 0.253 390 D C 0.201 176.459 176.300 -0.070 0.000 1.278 390 D CA 0.379 54.342 54.000 -0.061 0.000 1.145 390 D CB -0.658 40.147 40.800 0.008 0.000 1.118 390 D HN 0.346 nan 8.370 nan 0.000 0.513 391 K N 1.184 121.550 120.400 -0.058 0.000 1.200 391 K HA -0.139 4.186 4.320 0.008 0.000 0.773 391 K C 0.773 177.328 176.600 -0.075 0.000 2.023 391 K CA 1.230 57.492 56.287 -0.041 0.000 1.213 391 K CB -1.316 31.179 32.500 -0.008 0.000 2.254 391 K HN 0.345 nan 8.250 nan 0.000 0.392 392 G N 0.885 109.669 108.800 -0.025 0.000 3.448 392 G HA2 0.166 4.130 3.960 0.008 0.000 0.261 392 G HA3 0.166 4.130 3.960 0.008 0.000 0.261 392 G C -0.257 174.694 174.900 0.086 0.000 1.173 392 G CA -0.179 44.920 45.100 -0.002 0.000 0.835 392 G HN 0.221 nan 8.290 nan 0.000 0.534 393 R N -0.121 120.381 120.500 0.004 0.000 2.615 393 R HA 0.434 4.779 4.340 0.008 0.000 0.270 393 R C -0.969 175.339 176.300 0.012 0.000 1.081 393 R CA -0.063 56.107 56.100 0.118 0.000 1.154 393 R CB 0.562 30.905 30.300 0.071 0.000 1.063 393 R HN 0.167 nan 8.270 nan 0.000 0.519 394 F N 0.524 120.445 119.950 -0.047 0.000 2.551 394 F HA 0.345 4.877 4.527 0.008 0.000 0.316 394 F C -0.339 175.551 175.800 0.150 0.000 1.089 394 F CA -1.098 56.877 58.000 -0.043 0.000 0.915 394 F CB 1.437 40.421 39.000 -0.026 0.000 1.186 394 F HN 0.200 nan 8.300 nan 0.000 0.456 395 Y N 1.562 121.957 120.300 0.159 0.000 2.342 395 Y HA 0.618 5.173 4.550 0.008 0.000 0.334 395 Y C 0.353 176.347 175.900 0.156 0.000 1.067 395 Y CA -2.164 56.012 58.100 0.126 0.000 1.128 395 Y CB 1.159 39.671 38.460 0.087 0.000 1.200 395 Y HN 0.614 nan 8.280 nan 0.000 0.464 396 A N 4.007 126.998 122.820 0.285 0.000 2.401 396 A HA 0.464 4.789 4.320 0.008 0.000 0.259 396 A C -1.209 176.527 177.584 0.252 0.000 1.103 396 A CA -0.193 51.973 52.037 0.216 0.000 0.789 396 A CB -0.202 18.875 19.000 0.129 0.000 1.035 396 A HN 0.585 nan 8.150 nan 0.000 0.491 397 F N 2.157 122.162 119.950 0.092 0.000 2.482 397 F HA 0.683 5.215 4.527 0.008 0.000 0.331 397 F C 0.394 176.246 175.800 0.087 0.000 1.115 397 F CA 0.539 58.590 58.000 0.085 0.000 0.955 397 F CB 1.662 40.713 39.000 0.085 0.000 1.136 397 F HN 0.900 nan 8.300 nan 0.000 0.452 398 G N 5.018 113.442 108.800 -0.626 0.000 2.500 398 G HA2 0.471 4.436 3.960 0.008 0.000 0.299 398 G HA3 0.471 4.436 3.960 0.008 0.000 0.299 398 G C -2.056 172.591 174.900 -0.422 0.000 1.242 398 G CA -1.108 43.767 45.100 -0.375 0.000 0.859 398 G HN 0.764 nan 8.290 nan 0.000 0.481 399 R N -0.759 119.625 120.500 -0.193 0.000 2.651 399 R HA 0.599 4.943 4.340 0.008 0.000 0.278 399 R C -1.561 174.587 176.300 -0.253 0.000 1.010 399 R CA -0.565 55.343 56.100 -0.320 0.000 0.896 399 R CB 2.311 32.298 30.300 -0.523 0.000 1.211 399 R HN 0.392 nan 8.270 nan 0.000 0.456 400 V N 5.749 125.509 119.914 -0.257 0.000 2.339 400 V HA 0.216 4.341 4.120 0.008 0.000 0.261 400 V C 0.352 176.340 176.094 -0.177 0.000 1.058 400 V CA -0.096 62.126 62.300 -0.130 0.000 0.897 400 V CB 0.556 32.325 31.823 -0.089 0.000 1.052 400 V HN 0.757 nan 8.190 nan 0.000 0.480 401 F N 2.709 122.661 119.950 0.003 0.000 2.512 401 F HA 0.438 4.969 4.527 0.008 0.000 0.296 401 F C 1.274 177.056 175.800 -0.030 0.000 1.110 401 F CA 0.818 58.808 58.000 -0.017 0.000 1.446 401 F CB 0.289 39.286 39.000 -0.004 0.000 1.092 401 F HN 0.574 nan 8.300 nan 0.000 0.554 402 A N -1.081 121.819 122.820 0.133 0.000 2.566 402 A HA 0.604 4.929 4.320 0.008 0.000 0.297 402 A C 0.179 177.783 177.584 0.032 0.000 1.059 402 A CA -0.267 51.806 52.037 0.061 0.000 0.691 402 A CB 0.324 19.351 19.000 0.044 0.000 1.282 402 A HN 0.684 nan 8.150 nan 0.000 0.401 403 G N 0.309 109.115 108.800 0.011 0.000 2.645 403 G HA2 0.410 4.375 3.960 0.008 0.000 0.239 403 G HA3 0.410 4.375 3.960 0.008 0.000 0.239 403 G C 0.133 175.030 174.900 -0.005 0.000 1.331 403 G CA 0.471 45.573 45.100 0.002 0.000 0.890 403 G HN 2.835 nan 8.290 nan 0.000 0.572 404 T N -3.627 110.922 114.554 -0.009 0.000 2.921 404 T HA 0.661 5.015 4.350 0.008 0.000 0.297 404 T C -0.391 174.300 174.700 -0.015 0.000 1.013 404 T CA 0.134 62.224 62.100 -0.017 0.000 0.990 404 T CB 1.828 70.684 68.868 -0.020 0.000 1.023 404 T HN 2.031 nan 8.240 nan 0.000 0.447 405 V N 3.297 123.199 119.914 -0.020 0.000 2.567 405 V HA 0.831 4.956 4.120 0.008 0.000 0.289 405 V C -0.668 175.412 176.094 -0.024 0.000 1.049 405 V CA -0.430 61.858 62.300 -0.020 0.000 0.969 405 V CB 1.032 32.841 31.823 -0.023 0.000 0.995 405 V HN 1.220 nan 8.190 nan 0.000 0.471 406 K N 3.264 123.650 120.400 -0.022 0.000 2.523 406 K HA 0.565 4.890 4.320 0.008 0.000 0.257 406 K C -0.695 175.891 176.600 -0.023 0.000 0.932 406 K CA -0.506 55.767 56.287 -0.023 0.000 0.812 406 K CB 1.646 34.134 32.500 -0.020 0.000 1.326 406 K HN 0.429 nan 8.250 nan 0.000 0.433 407 S N 1.188 116.873 115.700 -0.025 0.000 2.642 407 S HA 0.221 4.696 4.470 0.008 0.000 0.308 407 S C 1.351 175.940 174.600 -0.019 0.000 1.255 407 S CA 1.329 59.514 58.200 -0.025 0.000 1.057 407 S CB 0.111 63.296 63.200 -0.025 0.000 0.785 407 S HN 1.112 nan 8.310 nan 0.000 0.500 408 G N 2.205 110.995 108.800 -0.017 0.000 2.363 408 G HA2 -0.326 3.638 3.960 0.008 0.000 0.238 408 G HA3 -0.326 3.638 3.960 0.008 0.000 0.238 408 G C 0.180 175.070 174.900 -0.016 0.000 1.062 408 G CA 0.368 45.460 45.100 -0.013 0.000 0.629 408 G HN 0.820 nan 8.290 nan 0.000 0.514 409 Q N 1.965 121.754 119.800 -0.018 0.000 2.283 409 Q HA 0.261 4.605 4.340 0.008 0.000 0.301 409 Q C 0.699 176.684 176.000 -0.026 0.000 1.063 409 Q CA 0.684 56.475 55.803 -0.020 0.000 0.952 409 Q CB 0.217 28.943 28.738 -0.020 0.000 1.166 409 Q HN 0.679 nan 8.270 nan 0.000 0.381 410 K N 1.880 122.263 120.400 -0.029 0.000 2.205 410 K HA 0.504 4.828 4.320 0.008 0.000 0.279 410 K C -1.015 175.557 176.600 -0.046 0.000 1.027 410 K CA -0.804 55.459 56.287 -0.042 0.000 0.932 410 K CB 1.458 33.934 32.500 -0.040 0.000 1.032 410 K HN 0.300 nan 8.250 nan 0.000 0.466 411 V N 2.357 122.233 119.914 -0.063 0.000 3.102 411 V HA 0.405 4.530 4.120 0.008 0.000 0.312 411 V C -0.437 175.603 176.094 -0.089 0.000 1.135 411 V CA -1.310 60.953 62.300 -0.061 0.000 1.022 411 V CB 2.078 33.873 31.823 -0.047 0.000 1.056 411 V HN 0.756 nan 8.190 nan 0.000 0.436 412 R N 1.943 122.393 120.500 -0.085 0.000 2.202 412 R HA 0.567 4.912 4.340 0.008 0.000 0.334 412 R C -0.919 175.304 176.300 -0.128 0.000 1.036 412 R CA -0.230 55.793 56.100 -0.128 0.000 0.878 412 R CB 0.771 30.989 30.300 -0.137 0.000 1.067 412 R HN 0.539 nan 8.270 nan 0.000 0.457 413 I N 4.182 124.677 120.570 -0.125 0.000 2.287 413 I HA 0.087 4.262 4.170 0.008 0.000 0.290 413 I C 0.117 176.185 176.117 -0.080 0.000 1.069 413 I CA -0.271 60.999 61.300 -0.049 0.000 1.237 413 I CB 0.945 38.958 38.000 0.022 0.000 1.418 413 I HN 0.392 nan 8.210 nan 0.000 0.481 414 Q N 5.549 125.262 119.800 -0.145 0.000 2.377 414 Q HA 0.372 4.717 4.340 0.008 0.000 0.249 414 Q C 0.570 176.581 176.000 0.019 0.000 1.005 414 Q CA -0.476 55.184 55.803 -0.240 0.000 0.912 414 Q CB 1.642 30.213 28.738 -0.278 0.000 1.223 414 Q HN 0.780 nan 8.270 nan 0.000 0.459 415 G N 2.943 111.799 108.800 0.093 0.000 2.621 415 G HA2 0.116 4.081 3.960 0.008 0.000 0.271 415 G HA3 0.116 4.081 3.960 0.008 0.000 0.271 415 G C -1.700 173.302 174.900 0.170 0.000 1.236 415 G CA -1.146 44.053 45.100 0.166 0.000 0.958 415 G HN 0.346 nan 8.290 nan 0.000 0.512 416 P HA -0.139 nan 4.420 nan 0.000 0.216 416 P C 1.405 178.785 177.300 0.133 0.000 1.154 416 P CA 1.237 64.420 63.100 0.138 0.000 0.865 416 P CB 0.181 31.961 31.700 0.134 0.000 0.789 417 N N -2.736 116.047 118.700 0.139 0.000 2.412 417 N HA -0.053 4.691 4.740 0.008 0.000 0.184 417 N C 0.498 176.079 175.510 0.118 0.000 1.101 417 N CA 0.076 53.193 53.050 0.113 0.000 0.881 417 N CB -0.466 38.082 38.487 0.103 0.000 0.969 417 N HN 0.235 nan 8.380 nan 0.000 0.459 418 Y N 1.601 121.908 120.300 0.013 0.000 2.652 418 Y HA 0.103 4.658 4.550 0.008 0.000 0.344 418 Y C -0.046 175.838 175.900 -0.026 0.000 1.254 418 Y CA 0.074 58.163 58.100 -0.019 0.000 1.480 418 Y CB 0.590 39.036 38.460 -0.023 0.000 1.345 418 Y HN -0.278 nan 8.280 nan 0.000 0.617 419 V N 8.027 127.382 119.914 -0.931 0.000 2.697 419 V HA 0.148 4.273 4.120 0.008 0.000 0.300 419 V C -1.891 173.543 176.094 -1.100 0.000 1.115 419 V CA -1.368 60.471 62.300 -0.768 0.000 0.912 419 V CB 1.825 33.443 31.823 -0.342 0.000 1.024 419 V HN 0.649 nan 8.190 nan 0.000 0.431 420 P HA -0.253 nan 4.420 nan 0.000 0.222 420 P C 1.565 178.658 177.300 -0.345 0.000 1.154 420 P CA 2.241 64.980 63.100 -0.601 0.000 0.874 420 P CB 0.276 31.652 31.700 -0.539 0.000 0.787 421 G N -1.028 107.590 108.800 -0.303 0.000 2.511 421 G HA2 -0.180 3.785 3.960 0.008 0.000 0.216 421 G HA3 -0.180 3.785 3.960 0.008 0.000 0.216 421 G C 0.824 175.645 174.900 -0.131 0.000 1.218 421 G CA 0.913 45.912 45.100 -0.168 0.000 0.788 421 G HN 0.255 nan 8.290 nan 0.000 0.560 422 K N -0.915 119.393 120.400 -0.152 0.000 2.318 422 K HA 0.461 4.786 4.320 0.008 0.000 0.243 422 K C 0.938 177.529 176.600 -0.015 0.000 1.047 422 K CA -0.207 56.034 56.287 -0.077 0.000 0.937 422 K CB 0.732 33.195 32.500 -0.062 0.000 1.225 422 K HN 0.098 nan 8.250 nan 0.000 0.506 423 K N 0.563 120.975 120.400 0.020 0.000 2.414 423 K HA 0.089 4.414 4.320 0.008 0.000 0.204 423 K C -0.819 175.796 176.600 0.025 0.000 1.026 423 K CA -0.012 56.306 56.287 0.051 0.000 1.108 423 K CB 0.486 32.986 32.500 0.000 0.000 0.855 423 K HN 0.487 nan 8.250 nan 0.000 0.517 424 D N 2.007 122.432 120.400 0.042 0.000 2.424 424 D HA -0.031 4.614 4.640 0.008 0.000 0.244 424 D C 0.074 176.400 176.300 0.042 0.000 1.134 424 D CA 0.730 54.742 54.000 0.021 0.000 0.881 424 D CB 0.893 41.712 40.800 0.032 0.000 1.191 424 D HN 0.200 nan 8.370 nan 0.000 0.445 425 D N 0.556 120.903 120.400 -0.089 0.000 2.723 425 D HA -0.200 4.445 4.640 0.008 0.000 0.236 425 D C -1.008 175.056 176.300 -0.393 0.000 1.138 425 D CA 0.392 54.307 54.000 -0.142 0.000 0.676 425 D CB -0.885 39.970 40.800 0.092 0.000 1.069 425 D HN 0.212 nan 8.370 nan 0.000 0.430 426 L N -0.118 120.670 121.223 -0.724 0.000 2.342 426 L HA 0.744 5.088 4.340 0.008 0.000 0.271 426 L C -1.054 175.165 176.870 -1.084 0.000 1.008 426 L CA -0.592 53.815 54.840 -0.723 0.000 0.818 426 L CB 1.483 43.277 42.059 -0.442 0.000 1.296 426 L HN -0.051 nan 8.230 nan 0.000 0.427 427 F N 5.262 125.098 119.950 -0.190 0.000 3.050 427 F HA 0.408 4.939 4.527 0.008 0.000 0.382 427 F C -0.240 175.368 175.800 -0.321 0.000 1.246 427 F CA -0.483 57.378 58.000 -0.232 0.000 1.217 427 F CB 0.497 39.333 39.000 -0.273 0.000 1.795 427 F HN 0.197 nan 8.300 nan 0.000 0.622 428 I N 2.958 123.454 120.570 -0.123 0.000 2.577 428 I HA 0.037 4.212 4.170 0.008 0.000 0.299 428 I C 0.341 176.363 176.117 -0.158 0.000 1.157 428 I CA 0.444 61.664 61.300 -0.133 0.000 1.418 428 I CB -0.068 37.874 38.000 -0.097 0.000 1.467 428 I HN 0.357 nan 8.210 nan 0.000 0.624 429 K N 5.378 125.636 120.400 -0.235 0.000 2.279 429 K HA 0.857 5.182 4.320 0.008 0.000 0.238 429 K C -1.091 175.421 176.600 -0.147 0.000 1.084 429 K CA -0.745 55.392 56.287 -0.250 0.000 0.885 429 K CB 1.693 33.848 32.500 -0.574 0.000 1.319 429 K HN 0.383 nan 8.250 nan 0.000 0.494 430 A N 1.551 124.317 122.820 -0.091 0.000 2.304 430 A HA 0.534 4.859 4.320 0.008 0.000 0.323 430 A C -0.661 176.910 177.584 -0.023 0.000 1.195 430 A CA -0.743 51.267 52.037 -0.045 0.000 0.826 430 A CB 0.176 19.164 19.000 -0.020 0.000 1.184 430 A HN 0.561 nan 8.150 nan 0.000 0.496 431 I N 3.444 124.000 120.570 -0.023 0.000 2.471 431 I HA -0.028 4.147 4.170 0.008 0.000 0.294 431 I C 1.567 177.679 176.117 -0.008 0.000 1.123 431 I CA 0.620 61.914 61.300 -0.011 0.000 1.336 431 I CB -0.038 37.949 38.000 -0.020 0.000 1.430 431 I HN 0.890 nan 8.210 nan 0.000 0.533 432 Q N 5.666 125.469 119.800 0.006 0.000 2.045 432 Q HA -0.085 4.260 4.340 0.008 0.000 0.206 432 Q C 0.233 176.216 176.000 -0.028 0.000 0.991 432 Q CA 1.592 57.395 55.803 -0.000 0.000 0.851 432 Q CB 0.350 29.098 28.738 0.017 0.000 0.911 432 Q HN 0.572 nan 8.270 nan 0.000 0.418 433 R N -1.004 119.460 120.500 -0.060 0.000 2.604 433 R HA 0.409 4.754 4.340 0.008 0.000 0.270 433 R C -1.605 174.628 176.300 -0.112 0.000 1.052 433 R CA -0.445 55.604 56.100 -0.084 0.000 0.902 433 R CB 2.239 32.476 30.300 -0.106 0.000 1.233 433 R HN -0.119 nan 8.270 nan 0.000 0.455 434 V N 3.332 123.197 119.914 -0.081 0.000 2.394 434 V HA 0.503 4.627 4.120 0.008 0.000 0.282 434 V C -0.014 176.040 176.094 -0.068 0.000 1.031 434 V CA -0.615 61.641 62.300 -0.072 0.000 0.881 434 V CB 1.457 33.253 31.823 -0.046 0.000 0.982 434 V HN 0.583 nan 8.190 nan 0.000 0.451 435 V N 3.462 123.335 119.914 -0.069 0.000 2.962 435 V HA 0.663 4.787 4.120 0.008 0.000 0.313 435 V C -0.697 175.411 176.094 0.024 0.000 1.099 435 V CA -1.036 61.248 62.300 -0.027 0.000 0.971 435 V CB 2.111 33.905 31.823 -0.048 0.000 1.028 435 V HN 0.615 nan 8.190 nan 0.000 0.430 436 L N 4.045 125.299 121.223 0.052 0.000 2.305 436 L HA 0.442 4.787 4.340 0.008 0.000 0.281 436 L C 0.314 177.258 176.870 0.123 0.000 1.085 436 L CA -0.503 54.384 54.840 0.078 0.000 0.813 436 L CB 1.395 43.496 42.059 0.071 0.000 1.157 436 L HN 0.587 nan 8.230 nan 0.000 0.436 437 M N 4.814 124.508 119.600 0.157 0.000 3.436 437 M HA 0.152 4.637 4.480 0.008 0.000 0.240 437 M C 0.038 176.417 176.300 0.131 0.000 1.469 437 M CA 0.166 55.572 55.300 0.177 0.000 1.622 437 M CB -0.073 32.700 32.600 0.287 0.000 1.098 437 M HN 0.537 nan 8.290 nan 0.000 0.568 438 M N 1.332 121.008 119.600 0.127 0.000 3.763 438 M HA 0.144 4.629 4.480 0.008 0.000 0.183 438 M C 1.355 177.692 176.300 0.062 0.000 1.544 438 M CA 0.329 55.706 55.300 0.128 0.000 1.722 438 M CB -1.768 30.945 32.600 0.188 0.000 1.155 438 M HN 0.855 nan 8.290 nan 0.000 0.528 439 G N 2.279 111.083 108.800 0.006 0.000 3.879 439 G HA2 -0.383 3.582 3.960 0.008 0.000 0.318 439 G HA3 -0.383 3.582 3.960 0.008 0.000 0.318 439 G C 1.169 175.945 174.900 -0.206 0.000 1.344 439 G CA 0.494 45.540 45.100 -0.091 0.000 1.024 439 G HN 0.562 nan 8.290 nan 0.000 0.681 440 R N -0.094 120.144 120.500 -0.437 0.000 2.254 440 R HA 0.402 4.747 4.340 0.008 0.000 0.193 440 R C 0.272 176.181 176.300 -0.651 0.000 0.929 440 R CA 0.392 56.100 56.100 -0.654 0.000 1.038 440 R CB 0.326 30.034 30.300 -0.988 0.000 1.009 440 R HN 0.333 nan 8.270 nan 0.000 0.512 441 F N 0.941 120.904 119.950 0.023 0.000 2.507 441 F HA 0.430 4.962 4.527 0.008 0.000 0.327 441 F C 0.337 176.176 175.800 0.065 0.000 1.068 441 F CA -1.827 56.195 58.000 0.037 0.000 0.965 441 F CB 1.183 40.201 39.000 0.030 0.000 1.192 441 F HN -0.330 nan 8.300 nan 0.000 0.476 442 V N -0.844 119.232 119.914 0.269 0.000 2.667 442 V HA 0.836 4.961 4.120 0.008 0.000 0.308 442 V C -1.101 175.085 176.094 0.154 0.000 1.048 442 V CA -0.634 61.786 62.300 0.200 0.000 0.928 442 V CB 1.759 33.720 31.823 0.230 0.000 1.004 442 V HN 0.747 nan 8.190 nan 0.000 0.444 443 E N 4.224 124.490 120.200 0.110 0.000 2.255 443 E HA 0.595 4.949 4.350 0.008 0.000 0.256 443 E C -2.933 173.692 176.600 0.041 0.000 0.887 443 E CA -2.275 54.170 56.400 0.074 0.000 0.782 443 E CB 2.152 31.898 29.700 0.076 0.000 1.214 443 E HN 0.654 nan 8.360 nan 0.000 0.417 444 P HA 0.067 nan 4.420 nan 0.000 0.264 444 P C -0.840 176.459 177.300 -0.001 0.000 1.183 444 P CA 0.088 63.188 63.100 0.001 0.000 0.763 444 P CB 0.378 32.078 31.700 -0.001 0.000 0.807 445 I N 1.951 122.514 120.570 -0.011 0.000 2.644 445 I HA 0.232 4.407 4.170 0.008 0.000 0.291 445 I C 0.643 176.748 176.117 -0.019 0.000 1.180 445 I CA -0.459 60.833 61.300 -0.013 0.000 1.040 445 I CB 1.581 39.574 38.000 -0.012 0.000 1.255 445 I HN 0.228 nan 8.210 nan 0.000 0.422 446 D N 4.198 124.588 120.400 -0.018 0.000 2.182 446 D HA -0.145 4.500 4.640 0.008 0.000 0.193 446 D C 0.023 176.310 176.300 -0.023 0.000 0.999 446 D CA 2.023 56.011 54.000 -0.019 0.000 0.850 446 D CB -0.008 40.781 40.800 -0.017 0.000 0.994 446 D HN 0.790 nan 8.370 nan 0.000 0.450 447 D N -1.188 119.198 120.400 -0.023 0.000 2.553 447 D HA 0.376 5.021 4.640 0.008 0.000 0.249 447 D C -0.787 175.496 176.300 -0.029 0.000 1.062 447 D CA -0.684 53.301 54.000 -0.026 0.000 1.085 447 D CB 2.062 42.848 40.800 -0.023 0.000 1.350 447 D HN 0.213 nan 8.370 nan 0.000 0.575 448 C N 1.231 120.512 119.300 -0.032 0.000 2.833 448 C HA 0.420 4.885 4.460 0.008 0.000 0.383 448 C C -2.851 172.115 174.990 -0.041 0.000 1.058 448 C CA -0.862 58.133 59.018 -0.039 0.000 1.259 448 C CB 1.155 28.868 27.740 -0.044 0.000 1.726 448 C HN 0.474 nan 8.230 nan 0.000 0.484 449 P HA 0.342 nan 4.420 nan 0.000 0.274 449 P C -0.171 177.098 177.300 -0.051 0.000 1.237 449 P CA 0.162 63.238 63.100 -0.039 0.000 0.793 449 P CB 0.892 32.571 31.700 -0.036 0.000 0.977 450 A N 1.071 123.865 122.820 -0.044 0.000 2.561 450 A HA 0.361 4.686 4.320 0.008 0.000 0.234 450 A C 1.446 178.982 177.584 -0.080 0.000 1.055 450 A CA 1.086 53.089 52.037 -0.057 0.000 0.756 450 A CB -1.562 17.424 19.000 -0.023 0.000 0.986 450 A HN 0.917 nan 8.150 nan 0.000 0.505 451 G N 1.597 110.315 108.800 -0.137 0.000 2.201 451 G HA2 -0.180 3.785 3.960 0.008 0.000 0.212 451 G HA3 -0.180 3.785 3.960 0.008 0.000 0.212 451 G C -0.084 174.723 174.900 -0.154 0.000 0.994 451 G CA 0.258 45.272 45.100 -0.143 0.000 0.644 451 G HN 0.966 nan 8.290 nan 0.000 0.508 452 N N -0.419 118.186 118.700 -0.157 0.000 2.402 452 N HA 0.743 5.488 4.740 0.008 0.000 0.294 452 N C -0.806 174.595 175.510 -0.181 0.000 1.203 452 N CA -0.647 52.322 53.050 -0.135 0.000 0.838 452 N CB 1.325 39.759 38.487 -0.088 0.000 1.306 452 N HN 0.042 nan 8.380 nan 0.000 0.510 453 I N 1.571 122.051 120.570 -0.150 0.000 2.315 453 I HA 0.376 4.551 4.170 0.008 0.000 0.291 453 I C -0.523 175.495 176.117 -0.164 0.000 1.006 453 I CA -0.233 60.934 61.300 -0.222 0.000 1.265 453 I CB 0.352 38.265 38.000 -0.145 0.000 1.387 453 I HN 0.451 nan 8.210 nan 0.000 0.475 454 I N 4.939 125.378 120.570 -0.219 0.000 3.239 454 I HA 0.865 5.040 4.170 0.008 0.000 0.314 454 I C -0.177 175.891 176.117 -0.083 0.000 1.126 454 I CA -0.498 60.740 61.300 -0.103 0.000 0.973 454 I CB 2.359 40.310 38.000 -0.081 0.000 1.252 454 I HN 0.482 nan 8.210 nan 0.000 0.463 455 G N 3.769 112.576 108.800 0.011 0.000 2.495 455 G HA2 0.677 4.641 3.960 0.008 0.000 0.318 455 G HA3 0.677 4.641 3.960 0.008 0.000 0.318 455 G C -1.733 173.161 174.900 -0.010 0.000 1.257 455 G CA -0.569 44.571 45.100 0.067 0.000 0.962 455 G HN 0.571 nan 8.290 nan 0.000 0.483 456 L N 1.032 122.252 121.223 -0.004 0.000 2.342 456 L HA 0.657 5.001 4.340 0.008 0.000 0.271 456 L C -0.550 176.241 176.870 -0.131 0.000 1.008 456 L CA -1.265 53.541 54.840 -0.057 0.000 0.818 456 L CB 2.374 44.429 42.059 -0.006 0.000 1.296 456 L HN 0.168 nan 8.230 nan 0.000 0.427 457 V N 0.951 120.745 119.914 -0.201 0.000 2.409 457 V HA 0.683 4.807 4.120 0.008 0.000 0.291 457 V C 0.591 176.666 176.094 -0.032 0.000 1.020 457 V CA 0.079 62.222 62.300 -0.263 0.000 0.848 457 V CB 1.154 32.687 31.823 -0.482 0.000 0.990 457 V HN 1.055 nan 8.190 nan 0.000 0.430 458 G N 4.027 112.877 108.800 0.084 0.000 2.145 458 G HA2 -0.147 3.818 3.960 0.008 0.000 0.145 458 G HA3 -0.147 3.818 3.960 0.008 0.000 0.145 458 G C 0.213 175.252 174.900 0.232 0.000 1.017 458 G CA 0.128 45.309 45.100 0.135 0.000 0.682 458 G HN 0.621 nan 8.290 nan 0.000 0.504 459 I N 0.768 121.463 120.570 0.208 0.000 4.139 459 I HA 0.101 4.276 4.170 0.008 0.000 0.320 459 I C 2.301 178.476 176.117 0.097 0.000 1.290 459 I CA 0.787 62.274 61.300 0.312 0.000 1.253 459 I CB 0.043 38.163 38.000 0.201 0.000 1.122 459 I HN 0.207 nan 8.210 nan 0.000 0.421 460 D N 1.750 122.167 120.400 0.029 0.000 2.345 460 D HA -0.349 4.296 4.640 0.008 0.000 0.190 460 D C 1.720 177.854 176.300 -0.276 0.000 1.024 460 D CA 1.769 55.726 54.000 -0.072 0.000 0.893 460 D CB -0.668 40.150 40.800 0.031 0.000 0.907 460 D HN 0.469 nan 8.370 nan 0.000 0.452 461 Q N -0.485 118.994 119.800 -0.534 0.000 2.282 461 Q HA 0.085 4.430 4.340 0.008 0.000 0.205 461 Q C 0.377 175.759 176.000 -1.030 0.000 0.915 461 Q CA 0.215 55.563 55.803 -0.758 0.000 0.949 461 Q CB -0.149 28.092 28.738 -0.828 0.000 1.035 461 Q HN 0.427 nan 8.270 nan 0.000 0.484 462 F N -0.166 119.575 119.950 -0.349 0.000 2.658 462 F HA 0.361 4.892 4.527 0.008 0.000 0.293 462 F C 0.609 176.187 175.800 -0.369 0.000 0.986 462 F CA -0.276 57.353 58.000 -0.618 0.000 1.182 462 F CB 0.723 39.438 39.000 -0.475 0.000 0.965 462 F HN -0.118 nan 8.300 nan 0.000 0.659 463 L N 1.159 122.364 121.223 -0.031 0.000 2.305 463 L HA 0.305 4.649 4.340 0.008 0.000 0.284 463 L C 0.787 177.610 176.870 -0.080 0.000 1.013 463 L CA -0.546 54.289 54.840 -0.008 0.000 0.819 463 L CB 2.237 44.316 42.059 0.033 0.000 1.227 463 L HN 0.061 nan 8.230 nan 0.000 0.417 464 L N 3.920 125.099 121.223 -0.072 0.000 1.988 464 L HA -0.115 4.230 4.340 0.008 0.000 0.207 464 L C 1.671 178.444 176.870 -0.163 0.000 1.071 464 L CA 2.147 56.909 54.840 -0.130 0.000 0.744 464 L CB -0.122 41.889 42.059 -0.079 0.000 0.893 464 L HN 0.679 nan 8.230 nan 0.000 0.433 465 K N -3.310 117.025 120.400 -0.109 0.000 2.890 465 K HA 0.237 4.562 4.320 0.008 0.000 0.202 465 K C 0.159 176.729 176.600 -0.050 0.000 1.592 465 K CA 0.372 56.564 56.287 -0.159 0.000 1.197 465 K CB 0.709 32.972 32.500 -0.394 0.000 1.913 465 K HN 0.082 nan 8.250 nan 0.000 0.550 466 T N 0.394 114.976 114.554 0.047 0.000 2.952 466 T HA 0.701 5.056 4.350 0.008 0.000 0.286 466 T C -0.174 174.527 174.700 0.002 0.000 1.024 466 T CA -0.368 61.767 62.100 0.057 0.000 1.029 466 T CB 1.882 70.880 68.868 0.217 0.000 1.094 466 T HN 0.445 nan 8.240 nan 0.000 0.515 467 G N 0.143 108.870 108.800 -0.121 0.000 2.322 467 G HA2 0.489 4.454 3.960 0.008 0.000 0.295 467 G HA3 0.489 4.454 3.960 0.008 0.000 0.295 467 G C -1.504 173.315 174.900 -0.136 0.000 1.369 467 G CA -0.718 44.342 45.100 -0.066 0.000 0.821 467 G HN 0.711 nan 8.290 nan 0.000 0.536 468 T N 0.271 114.818 114.554 -0.013 0.000 2.841 468 T HA 0.643 4.997 4.350 0.008 0.000 0.283 468 T C -0.949 173.773 174.700 0.037 0.000 1.000 468 T CA -0.371 61.755 62.100 0.044 0.000 0.977 468 T CB 1.580 70.529 68.868 0.136 0.000 0.979 468 T HN 0.383 nan 8.240 nan 0.000 0.446 469 L N 3.596 124.851 121.223 0.052 0.000 2.333 469 L HA 0.716 5.061 4.340 0.008 0.000 0.280 469 L C 0.721 177.618 176.870 0.046 0.000 1.004 469 L CA -0.188 54.667 54.840 0.025 0.000 0.820 469 L CB 1.705 43.775 42.059 0.017 0.000 1.247 469 L HN 0.959 nan 8.230 nan 0.000 0.416 470 T N -2.051 112.514 114.554 0.019 0.000 2.669 470 T HA 0.650 5.005 4.350 0.008 0.000 0.283 470 T C 0.265 174.970 174.700 0.007 0.000 1.019 470 T CA -0.127 61.995 62.100 0.036 0.000 1.039 470 T CB 1.868 70.777 68.868 0.068 0.000 1.374 470 T HN 0.328 nan 8.240 nan 0.000 0.523 471 T N 0.004 114.569 114.554 0.018 0.000 3.051 471 T HA 0.344 4.699 4.350 0.008 0.000 0.254 471 T C 0.740 175.449 174.700 0.015 0.000 0.916 471 T CA 0.138 62.241 62.100 0.005 0.000 0.894 471 T CB 0.236 69.106 68.868 0.004 0.000 1.251 471 T HN 0.708 nan 8.240 nan 0.000 0.517 472 S N 1.857 117.577 115.700 0.034 0.000 2.510 472 S HA 0.086 4.561 4.470 0.008 0.000 0.279 472 S C 1.059 175.692 174.600 0.055 0.000 1.284 472 S CA -0.171 58.056 58.200 0.044 0.000 1.059 472 S CB 0.600 63.837 63.200 0.060 0.000 0.901 472 S HN 0.333 nan 8.310 nan 0.000 0.491 473 E N 2.311 122.537 120.200 0.044 0.000 2.347 473 E HA -0.059 4.296 4.350 0.008 0.000 0.196 473 E C 0.935 177.575 176.600 0.067 0.000 1.008 473 E CA 1.029 57.460 56.400 0.051 0.000 0.852 473 E CB 0.028 29.747 29.700 0.031 0.000 0.783 473 E HN 0.818 nan 8.360 nan 0.000 0.505 474 T N -1.706 112.886 114.554 0.063 0.000 3.275 474 T HA 0.553 4.907 4.350 0.008 0.000 0.265 474 T C 0.001 174.764 174.700 0.105 0.000 0.978 474 T CA -0.575 61.556 62.100 0.052 0.000 0.923 474 T CB 0.649 69.552 68.868 0.059 0.000 1.126 474 T HN 0.031 nan 8.240 nan 0.000 0.538 475 A N 1.346 124.249 122.820 0.138 0.000 2.260 475 A HA 0.669 4.993 4.320 0.008 0.000 0.314 475 A C -0.326 177.400 177.584 0.237 0.000 1.257 475 A CA -0.670 51.523 52.037 0.260 0.000 0.871 475 A CB 0.240 19.377 19.000 0.228 0.000 1.166 475 A HN 0.646 nan 8.150 nan 0.000 0.522 476 H N 1.286 120.490 119.070 0.222 0.000 2.581 476 H HA 0.232 4.792 4.556 0.008 0.000 0.369 476 H C 0.554 175.921 175.328 0.065 0.000 1.351 476 H CA 0.296 56.339 56.048 -0.007 0.000 1.434 476 H CB 0.492 30.033 29.762 -0.368 0.000 1.558 476 H HN 0.670 nan 8.280 nan 0.000 0.608 477 N N 0.359 119.154 118.700 0.159 0.000 2.445 477 N HA 0.165 4.910 4.740 0.008 0.000 0.264 477 N C -0.313 175.259 175.510 0.104 0.000 1.227 477 N CA -0.148 53.008 53.050 0.175 0.000 0.963 477 N CB 0.741 39.332 38.487 0.174 0.000 1.188 477 N HN 0.399 nan 8.380 nan 0.000 0.491 478 M N 0.623 120.351 119.600 0.213 0.000 2.367 478 M HA 0.207 4.692 4.480 0.008 0.000 0.339 478 M C 0.478 176.909 176.300 0.218 0.000 1.177 478 M CA -0.548 54.878 55.300 0.210 0.000 1.068 478 M CB 1.052 33.841 32.600 0.315 0.000 1.602 478 M HN 0.186 nan 8.290 nan 0.000 0.457 479 K N 2.445 122.897 120.400 0.086 0.000 2.327 479 K HA -0.077 4.248 4.320 0.008 0.000 0.249 479 K C -0.414 176.315 176.600 0.216 0.000 1.244 479 K CA -0.074 56.261 56.287 0.081 0.000 1.253 479 K CB -0.678 31.818 32.500 -0.006 0.000 0.748 479 K HN 0.538 nan 8.250 nan 0.000 0.518 480 V N 1.844 121.859 119.914 0.168 0.000 2.924 480 V HA 0.224 4.348 4.120 0.008 0.000 0.305 480 V C 0.322 176.491 176.094 0.126 0.000 1.073 480 V CA -0.426 61.980 62.300 0.176 0.000 1.098 480 V CB 1.020 32.912 31.823 0.115 0.000 1.000 480 V HN 0.532 nan 8.190 nan 0.000 0.484 481 M N 3.550 123.220 119.600 0.115 0.000 2.023 481 M HA 0.430 4.915 4.480 0.008 0.000 0.325 481 M C -0.254 175.921 176.300 -0.209 0.000 0.963 481 M CA -0.403 54.865 55.300 -0.053 0.000 0.928 481 M CB 1.318 33.909 32.600 -0.016 0.000 1.429 481 M HN 0.655 nan 8.290 nan 0.000 0.404 482 K N 2.941 123.219 120.400 -0.203 0.000 2.430 482 K HA 0.225 4.550 4.320 0.008 0.000 0.280 482 K C -1.163 175.247 176.600 -0.316 0.000 1.063 482 K CA 0.709 56.904 56.287 -0.153 0.000 1.071 482 K CB 0.224 32.671 32.500 -0.088 0.000 0.899 482 K HN 0.322 nan 8.250 nan 0.000 0.473 483 F N 0.105 120.082 119.950 0.046 0.000 2.603 483 F HA 0.374 4.906 4.527 0.008 0.000 0.317 483 F C 0.224 176.048 175.800 0.041 0.000 1.066 483 F CA -0.787 57.229 58.000 0.027 0.000 0.941 483 F CB 2.353 41.362 39.000 0.015 0.000 1.291 483 F HN 0.315 nan 8.300 nan 0.000 0.472 484 S N 0.408 116.266 115.700 0.262 0.000 2.548 484 S HA 0.468 4.943 4.470 0.008 0.000 0.276 484 S C -0.808 173.842 174.600 0.083 0.000 1.129 484 S CA -0.408 57.895 58.200 0.171 0.000 0.931 484 S CB 1.770 65.101 63.200 0.217 0.000 1.068 484 S HN 0.555 nan 8.310 nan 0.000 0.480 485 V N 4.158 124.097 119.914 0.042 0.000 3.249 485 V HA 0.371 4.495 4.120 0.008 0.000 0.338 485 V C -0.035 176.034 176.094 -0.041 0.000 1.363 485 V CA 0.225 62.519 62.300 -0.010 0.000 1.205 485 V CB -0.084 31.724 31.823 -0.025 0.000 1.164 485 V HN 0.803 nan 8.190 nan 0.000 0.458 486 S N 3.611 119.257 115.700 -0.090 0.000 2.400 486 S HA 0.358 4.833 4.470 0.008 0.000 0.295 486 S C -2.477 172.005 174.600 -0.198 0.000 1.113 486 S CA -0.693 57.357 58.200 -0.250 0.000 1.064 486 S CB 0.963 63.727 63.200 -0.726 0.000 0.990 486 S HN 0.374 nan 8.310 nan 0.000 0.502 487 P HA 0.047 nan 4.420 nan 0.000 0.264 487 P C 0.683 177.953 177.300 -0.051 0.000 1.236 487 P CA -0.044 63.044 63.100 -0.019 0.000 0.811 487 P CB 0.300 32.010 31.700 0.018 0.000 0.840 488 V N 1.945 121.818 119.914 -0.069 0.000 3.604 488 V HA 0.220 4.344 4.120 0.008 0.000 0.277 488 V C 0.285 176.357 176.094 -0.036 0.000 1.399 488 V CA 0.192 62.417 62.300 -0.124 0.000 1.034 488 V CB 0.247 31.882 31.823 -0.313 0.000 0.824 488 V HN 0.082 nan 8.190 nan 0.000 0.439 489 V N 2.574 122.516 119.914 0.048 0.000 2.709 489 V HA 0.744 4.869 4.120 0.008 0.000 0.308 489 V C -0.697 175.468 176.094 0.119 0.000 1.062 489 V CA -0.360 62.012 62.300 0.120 0.000 0.901 489 V CB 1.406 33.324 31.823 0.157 0.000 1.003 489 V HN 0.745 nan 8.190 nan 0.000 0.425 490 Q N 3.077 122.953 119.800 0.126 0.000 2.590 490 Q HA 0.923 5.268 4.340 0.008 0.000 0.295 490 Q C -1.614 174.426 176.000 0.067 0.000 0.973 490 Q CA -0.967 54.890 55.803 0.090 0.000 0.768 490 Q CB 2.886 31.687 28.738 0.104 0.000 1.479 490 Q HN 0.971 nan 8.270 nan 0.000 0.419 491 V N -3.733 116.197 119.914 0.027 0.000 3.206 491 V HA 0.972 5.097 4.120 0.008 0.000 0.305 491 V C -1.245 174.840 176.094 -0.014 0.000 1.257 491 V CA -0.581 61.724 62.300 0.008 0.000 1.057 491 V CB 1.465 33.286 31.823 -0.003 0.000 1.075 491 V HN 1.109 nan 8.190 nan 0.000 0.443 492 A N 1.366 124.180 122.820 -0.009 0.000 2.288 492 A HA 0.857 5.182 4.320 0.008 0.000 0.320 492 A C -0.545 177.038 177.584 -0.002 0.000 1.217 492 A CA -0.648 51.384 52.037 -0.010 0.000 0.840 492 A CB 1.183 20.187 19.000 0.006 0.000 1.179 492 A HN 1.378 nan 8.150 nan 0.000 0.504 493 V N 2.513 122.433 119.914 0.009 0.000 2.483 493 V HA 0.527 4.652 4.120 0.008 0.000 0.295 493 V C 0.117 176.227 176.094 0.028 0.000 1.035 493 V CA -0.377 61.925 62.300 0.004 0.000 0.896 493 V CB 1.404 33.216 31.823 -0.019 0.000 0.986 493 V HN 1.022 nan 8.190 nan 0.000 0.447 494 E N 1.817 122.025 120.200 0.013 0.000 2.367 494 E HA 0.655 5.010 4.350 0.008 0.000 0.273 494 E C -1.323 175.281 176.600 0.005 0.000 0.903 494 E CA -0.792 55.623 56.400 0.024 0.000 0.764 494 E CB 2.629 32.343 29.700 0.024 0.000 1.252 494 E HN 0.600 nan 8.360 nan 0.000 0.446 495 V N 0.968 120.886 119.914 0.006 0.000 2.465 495 V HA 0.328 4.453 4.120 0.008 0.000 0.279 495 V C 0.848 176.946 176.094 0.006 0.000 1.045 495 V CA -0.401 61.899 62.300 -0.000 0.000 0.938 495 V CB 1.402 33.223 31.823 -0.005 0.000 0.986 495 V HN 0.732 nan 8.190 nan 0.000 0.467 496 K N 2.620 123.023 120.400 0.006 0.000 2.148 496 K HA 0.013 4.338 4.320 0.008 0.000 0.204 496 K C 0.213 176.817 176.600 0.007 0.000 1.050 496 K CA 1.420 57.712 56.287 0.007 0.000 0.942 496 K CB 0.005 32.510 32.500 0.008 0.000 0.724 496 K HN 0.800 nan 8.250 nan 0.000 0.446 497 N N -0.498 118.205 118.700 0.006 0.000 2.623 497 N HA 0.179 4.924 4.740 0.008 0.000 0.256 497 N C -0.081 175.433 175.510 0.005 0.000 1.045 497 N CA -0.230 52.823 53.050 0.006 0.000 0.863 497 N CB 1.710 40.200 38.487 0.006 0.000 1.182 497 N HN -0.017 nan 8.380 nan 0.000 0.523 498 A N 2.169 124.993 122.820 0.007 0.000 2.096 498 A HA -0.361 3.964 4.320 0.008 0.000 0.225 498 A C 2.121 179.709 177.584 0.006 0.000 1.192 498 A CA 2.194 54.236 52.037 0.008 0.000 0.679 498 A CB -0.615 18.391 19.000 0.010 0.000 0.821 498 A HN 0.845 nan 8.150 nan 0.000 0.484 499 N N 0.142 118.845 118.700 0.005 0.000 2.120 499 N HA -0.159 4.586 4.740 0.008 0.000 0.188 499 N C 0.509 176.020 175.510 0.001 0.000 1.024 499 N CA 1.659 54.711 53.050 0.003 0.000 0.852 499 N CB -0.841 37.647 38.487 0.003 0.000 1.003 499 N HN 0.509 nan 8.380 nan 0.000 0.424 500 D N 1.048 121.447 120.400 -0.000 0.000 2.363 500 D HA -0.013 4.631 4.640 0.008 0.000 0.226 500 D C 1.853 178.146 176.300 -0.011 0.000 1.020 500 D CA -0.156 53.842 54.000 -0.004 0.000 0.892 500 D CB 0.046 40.844 40.800 -0.003 0.000 0.900 500 D HN 0.310 nan 8.370 nan 0.000 0.531 501 L N 1.349 122.567 121.223 -0.009 0.000 2.034 501 L HA -0.195 4.150 4.340 0.008 0.000 0.217 501 L C -0.824 176.028 176.870 -0.030 0.000 1.077 501 L CA 2.010 56.840 54.840 -0.016 0.000 0.769 501 L CB -1.027 41.035 42.059 0.006 0.000 0.890 501 L HN 0.007 nan 8.230 nan 0.000 0.435 502 P HA -0.146 nan 4.420 nan 0.000 0.220 502 P C 0.984 178.269 177.300 -0.025 0.000 1.148 502 P CA 1.452 64.542 63.100 -0.016 0.000 0.803 502 P CB 0.012 31.710 31.700 -0.004 0.000 0.782 503 K N -1.169 119.216 120.400 -0.023 0.000 2.365 503 K HA -0.035 4.290 4.320 0.008 0.000 0.199 503 K C 1.728 178.307 176.600 -0.034 0.000 1.045 503 K CA 0.585 56.860 56.287 -0.020 0.000 0.962 503 K CB -0.422 32.072 32.500 -0.010 0.000 0.759 503 K HN 0.107 nan 8.250 nan 0.000 0.469 504 L N 0.120 121.303 121.223 -0.066 0.000 2.202 504 L HA -0.019 4.326 4.340 0.008 0.000 0.205 504 L C 1.696 178.467 176.870 -0.164 0.000 1.083 504 L CA 1.200 55.973 54.840 -0.112 0.000 0.790 504 L CB 0.017 41.985 42.059 -0.151 0.000 0.942 504 L HN -0.177 nan 8.230 nan 0.000 0.452 505 V N -0.010 119.805 119.914 -0.164 0.000 2.867 505 V HA -0.176 3.949 4.120 0.008 0.000 0.260 505 V C 2.506 178.563 176.094 -0.062 0.000 1.099 505 V CA 1.600 63.812 62.300 -0.146 0.000 1.122 505 V CB -0.620 31.166 31.823 -0.063 0.000 0.708 505 V HN 0.488 nan 8.190 nan 0.000 0.490 506 E N 0.893 121.068 120.200 -0.041 0.000 2.099 506 E HA 0.054 4.409 4.350 0.008 0.000 0.191 506 E C 2.281 178.887 176.600 0.009 0.000 0.962 506 E CA 1.161 57.556 56.400 -0.009 0.000 0.826 506 E CB -0.606 29.092 29.700 -0.003 0.000 0.788 506 E HN 0.370 nan 8.360 nan 0.000 0.461 507 G N 1.054 109.862 108.800 0.013 0.000 2.422 507 G HA2 -0.213 3.751 3.960 0.008 0.000 0.218 507 G HA3 -0.213 3.751 3.960 0.008 0.000 0.218 507 G C 1.577 176.489 174.900 0.021 0.000 1.146 507 G CA 0.852 45.993 45.100 0.068 0.000 0.769 507 G HN 0.269 nan 8.290 nan 0.000 0.547 508 L N 0.135 121.334 121.223 -0.039 0.000 2.042 508 L HA -0.089 4.255 4.340 0.008 0.000 0.210 508 L C 2.835 179.696 176.870 -0.015 0.000 1.076 508 L CA 1.674 56.480 54.840 -0.055 0.000 0.749 508 L CB -0.336 41.679 42.059 -0.073 0.000 0.893 508 L HN 0.227 nan 8.230 nan 0.000 0.432 509 K N 0.282 120.686 120.400 0.007 0.000 2.147 509 K HA -0.179 4.146 4.320 0.008 0.000 0.205 509 K C 2.281 178.908 176.600 0.044 0.000 1.049 509 K CA 1.187 57.491 56.287 0.028 0.000 0.936 509 K CB 0.083 32.599 32.500 0.027 0.000 0.722 509 K HN 0.219 nan 8.250 nan 0.000 0.446 510 R N 0.331 120.873 120.500 0.069 0.000 2.066 510 R HA -0.111 4.234 4.340 0.008 0.000 0.232 510 R C 2.419 178.835 176.300 0.192 0.000 1.131 510 R CA 1.154 57.343 56.100 0.147 0.000 0.955 510 R CB -0.396 30.035 30.300 0.218 0.000 0.851 510 R HN 0.155 nan 8.270 nan 0.000 0.432 511 L N 0.871 122.107 121.223 0.021 0.000 1.970 511 L HA -0.184 4.160 4.340 0.008 0.000 0.212 511 L C 1.908 178.745 176.870 -0.056 0.000 1.071 511 L CA 1.992 56.658 54.840 -0.291 0.000 0.751 511 L CB -0.694 41.091 42.059 -0.456 0.000 0.889 511 L HN 0.023 nan 8.230 nan 0.000 0.432 512 S N -0.443 115.249 115.700 -0.013 0.000 2.420 512 S HA -0.210 4.265 4.470 0.008 0.000 0.237 512 S C 1.961 176.622 174.600 0.102 0.000 1.023 512 S CA 1.312 59.535 58.200 0.040 0.000 0.991 512 S CB -0.447 62.777 63.200 0.039 0.000 0.792 512 S HN 0.415 nan 8.310 nan 0.000 0.488 513 K N 1.495 121.959 120.400 0.106 0.000 2.228 513 K HA 0.007 4.332 4.320 0.008 0.000 0.202 513 K C 2.179 178.875 176.600 0.160 0.000 1.051 513 K CA 1.243 57.612 56.287 0.136 0.000 0.960 513 K CB -0.163 32.378 32.500 0.067 0.000 0.743 513 K HN 0.507 nan 8.250 nan 0.000 0.458 514 S N -0.446 115.341 115.700 0.144 0.000 2.458 514 S HA -0.015 4.460 4.470 0.008 0.000 0.223 514 S C 0.567 175.320 174.600 0.255 0.000 1.019 514 S CA 0.062 58.328 58.200 0.110 0.000 0.937 514 S CB 0.210 63.511 63.200 0.167 0.000 0.788 514 S HN 0.150 nan 8.310 nan 0.000 0.511 515 D N 1.202 121.765 120.400 0.270 0.000 2.498 515 D HA 0.445 5.090 4.640 0.008 0.000 0.247 515 D C -2.393 173.989 176.300 0.138 0.000 1.070 515 D CA -2.255 51.891 54.000 0.242 0.000 0.842 515 D CB 2.350 43.249 40.800 0.165 0.000 1.361 515 D HN -0.125 nan 8.370 nan 0.000 0.484 516 P HA 0.053 nan 4.420 nan 0.000 0.220 516 P C 0.908 178.137 177.300 -0.117 0.000 1.152 516 P CA 0.607 63.547 63.100 -0.266 0.000 0.812 516 P CB 0.365 31.790 31.700 -0.458 0.000 0.792 517 C N -1.428 117.850 119.300 -0.037 0.000 2.754 517 C HA 0.332 4.796 4.460 0.008 0.000 0.276 517 C C 1.132 176.225 174.990 0.173 0.000 1.264 517 C CA -0.395 58.636 59.018 0.021 0.000 1.700 517 C CB -1.010 26.689 27.740 -0.069 0.000 1.885 517 C HN 0.055 nan 8.230 nan 0.000 0.607 518 V N 1.494 121.500 119.914 0.152 0.000 2.837 518 V HA 0.746 4.871 4.120 0.008 0.000 0.310 518 V C -0.860 175.274 176.094 0.067 0.000 1.059 518 V CA -0.367 62.002 62.300 0.116 0.000 1.004 518 V CB 1.831 33.668 31.823 0.023 0.000 1.045 518 V HN 0.255 nan 8.190 nan 0.000 0.465 519 L N 4.253 125.516 121.223 0.066 0.000 2.455 519 L HA 0.823 5.167 4.340 0.008 0.000 0.264 519 L C -0.467 176.471 176.870 0.115 0.000 0.968 519 L CA 0.172 55.066 54.840 0.089 0.000 0.827 519 L CB 2.410 44.531 42.059 0.104 0.000 1.317 519 L HN 0.900 nan 8.230 nan 0.000 0.407 520 T N 1.332 115.963 114.554 0.128 0.000 2.881 520 T HA 0.815 5.170 4.350 0.008 0.000 0.290 520 T C -0.834 173.992 174.700 0.209 0.000 1.000 520 T CA -0.465 61.701 62.100 0.110 0.000 0.978 520 T CB 1.397 70.298 68.868 0.054 0.000 0.997 520 T HN 0.759 nan 8.240 nan 0.000 0.443 521 Y N 0.177 120.501 120.300 0.040 0.000 2.725 521 Y HA 0.760 5.314 4.550 0.008 0.000 0.333 521 Y C -1.792 174.117 175.900 0.016 0.000 1.242 521 Y CA -1.782 56.333 58.100 0.024 0.000 1.059 521 Y CB 1.538 39.989 38.460 -0.014 0.000 1.306 521 Y HN 0.656 nan 8.280 nan 0.000 0.454 522 M N 3.126 122.767 119.600 0.069 0.000 2.311 522 M HA 0.458 4.943 4.480 0.008 0.000 0.325 522 M C -0.506 175.839 176.300 0.076 0.000 1.061 522 M CA -0.883 54.357 55.300 -0.100 0.000 0.957 522 M CB 2.294 34.818 32.600 -0.128 0.000 1.646 522 M HN 0.892 nan 8.290 nan 0.000 0.434 523 S N 1.527 117.208 115.700 -0.031 0.000 2.632 523 S HA 0.254 4.729 4.470 0.008 0.000 0.267 523 S C 0.757 175.410 174.600 0.090 0.000 1.276 523 S CA -0.629 57.626 58.200 0.092 0.000 0.998 523 S CB 1.167 64.366 63.200 -0.001 0.000 0.953 523 S HN 0.770 nan 8.310 nan 0.000 0.547 524 E N 1.029 121.315 120.200 0.143 0.000 2.097 524 E HA -0.180 4.174 4.350 0.008 0.000 0.196 524 E C 2.129 178.729 176.600 -0.000 0.000 1.000 524 E CA 1.629 58.081 56.400 0.087 0.000 0.804 524 E CB -0.364 29.374 29.700 0.063 0.000 0.740 524 E HN 0.884 nan 8.360 nan 0.000 0.454 525 S N -0.445 115.246 115.700 -0.016 0.000 2.528 525 S HA -0.055 4.420 4.470 0.008 0.000 0.244 525 S C 1.614 176.187 174.600 -0.045 0.000 0.982 525 S CA 0.863 59.043 58.200 -0.033 0.000 0.953 525 S CB -0.184 62.994 63.200 -0.036 0.000 0.754 525 S HN 0.436 nan 8.310 nan 0.000 0.529 526 G N 0.199 108.962 108.800 -0.062 0.000 2.143 526 G HA2 -0.246 3.719 3.960 0.008 0.000 0.249 526 G HA3 -0.246 3.719 3.960 0.008 0.000 0.249 526 G C -0.230 174.554 174.900 -0.193 0.000 0.981 526 G CA 0.241 45.275 45.100 -0.111 0.000 0.665 526 G HN 0.640 nan 8.290 nan 0.000 0.528 527 E N 0.173 120.274 120.200 -0.166 0.000 2.349 527 E HA 0.445 4.800 4.350 0.008 0.000 0.262 527 E C -0.099 176.312 176.600 -0.316 0.000 1.088 527 E CA -0.690 55.608 56.400 -0.170 0.000 0.899 527 E CB 0.599 30.253 29.700 -0.077 0.000 1.044 527 E HN 0.393 nan 8.360 nan 0.000 0.420 528 H N 1.539 120.550 119.070 -0.098 0.000 2.519 528 H HA 0.335 4.895 4.556 0.008 0.000 0.316 528 H C -0.346 174.863 175.328 -0.198 0.000 1.065 528 H CA -0.181 55.786 56.048 -0.135 0.000 1.264 528 H CB 0.454 30.169 29.762 -0.079 0.000 1.413 528 H HN 0.296 nan 8.280 nan 0.000 0.465 529 I N 3.201 123.612 120.570 -0.265 0.000 2.493 529 I HA 0.246 4.421 4.170 0.008 0.000 0.298 529 I C -0.207 175.800 176.117 -0.182 0.000 0.998 529 I CA -0.989 60.115 61.300 -0.327 0.000 1.137 529 I CB 2.150 39.705 38.000 -0.743 0.000 1.310 529 I HN 0.137 nan 8.210 nan 0.000 0.445 530 V N 4.714 124.578 119.914 -0.083 0.000 2.443 530 V HA 0.722 4.847 4.120 0.008 0.000 0.293 530 V C -0.174 175.927 176.094 0.011 0.000 1.021 530 V CA -0.496 61.786 62.300 -0.029 0.000 0.848 530 V CB 1.417 33.210 31.823 -0.049 0.000 0.998 530 V HN 0.822 nan 8.190 nan 0.000 0.424 531 A N 3.476 126.330 122.820 0.058 0.000 2.371 531 A HA 1.003 5.328 4.320 0.008 0.000 0.311 531 A C 0.082 177.713 177.584 0.079 0.000 1.068 531 A CA -0.004 52.086 52.037 0.088 0.000 0.744 531 A CB 1.869 20.960 19.000 0.152 0.000 1.239 531 A HN 1.099 nan 8.150 nan 0.000 0.435 532 G N -0.552 108.307 108.800 0.100 0.000 3.015 532 G HA2 0.493 4.458 3.960 0.008 0.000 0.281 532 G HA3 0.493 4.458 3.960 0.008 0.000 0.281 532 G C 0.434 175.519 174.900 0.308 0.000 1.386 532 G CA 0.359 45.595 45.100 0.227 0.000 0.959 532 G HN 0.558 nan 8.290 nan 0.000 0.522 533 T N -0.612 114.268 114.554 0.543 0.000 2.995 533 T HA 0.344 4.699 4.350 0.008 0.000 0.269 533 T C 0.995 175.850 174.700 0.257 0.000 1.091 533 T CA 1.315 63.543 62.100 0.214 0.000 1.128 533 T CB -0.160 68.654 68.868 -0.089 0.000 0.891 533 T HN 1.164 nan 8.240 nan 0.000 0.492 534 G N -0.104 108.865 108.800 0.281 0.000 2.489 534 G HA2 0.397 4.361 3.960 0.008 0.000 0.305 534 G HA3 0.397 4.361 3.960 0.008 0.000 0.305 534 G C 0.145 175.132 174.900 0.146 0.000 1.311 534 G CA -0.032 45.194 45.100 0.211 0.000 0.813 534 G HN 0.008 nan 8.290 nan 0.000 0.480 535 E N -0.683 119.565 120.200 0.081 0.000 2.023 535 E HA -0.150 4.204 4.350 0.008 0.000 0.196 535 E C 2.360 179.012 176.600 0.086 0.000 1.003 535 E CA 1.730 58.210 56.400 0.133 0.000 0.809 535 E CB -0.128 29.653 29.700 0.135 0.000 0.755 535 E HN 0.368 nan 8.360 nan 0.000 0.449 536 L N 0.402 121.638 121.223 0.022 0.000 2.027 536 L HA -0.181 4.164 4.340 0.008 0.000 0.206 536 L C 2.691 179.569 176.870 0.013 0.000 1.074 536 L CA 2.284 57.103 54.840 -0.035 0.000 0.745 536 L CB -0.594 41.373 42.059 -0.154 0.000 0.898 536 L HN 0.321 nan 8.230 nan 0.000 0.433 537 H N -0.377 118.677 119.070 -0.027 0.000 2.357 537 H HA -0.273 4.287 4.556 0.008 0.000 0.296 537 H C 1.901 177.250 175.328 0.035 0.000 1.108 537 H CA 2.623 58.686 56.048 0.025 0.000 1.273 537 H CB -0.350 29.438 29.762 0.044 0.000 1.367 537 H HN 0.397 nan 8.280 nan 0.000 0.498 538 L N 0.355 121.498 121.223 -0.134 0.000 2.044 538 L HA -0.022 4.323 4.340 0.008 0.000 0.205 538 L C 2.440 179.243 176.870 -0.110 0.000 1.075 538 L CA 2.187 56.922 54.840 -0.176 0.000 0.747 538 L CB -0.940 41.102 42.059 -0.028 0.000 0.903 538 L HN 0.343 nan 8.230 nan 0.000 0.435 539 E N 0.205 120.379 120.200 -0.042 0.000 2.048 539 E HA -0.265 4.089 4.350 0.008 0.000 0.202 539 E C 2.063 178.633 176.600 -0.051 0.000 1.021 539 E CA 2.415 58.794 56.400 -0.036 0.000 0.825 539 E CB -0.437 29.250 29.700 -0.021 0.000 0.756 539 E HN 0.458 nan 8.360 nan 0.000 0.454 540 I N 0.539 121.091 120.570 -0.030 0.000 2.127 540 I HA -0.340 3.835 4.170 0.008 0.000 0.241 540 I C 2.652 178.743 176.117 -0.043 0.000 1.075 540 I CA 1.156 62.461 61.300 0.010 0.000 1.334 540 I CB -1.667 36.404 38.000 0.119 0.000 1.040 540 I HN 0.312 nan 8.210 nan 0.000 0.405 541 C N 0.819 120.053 119.300 -0.110 0.000 2.391 541 C HA -0.201 4.263 4.460 0.008 0.000 0.276 541 C C 2.981 177.886 174.990 -0.141 0.000 1.217 541 C CA 0.781 59.706 59.018 -0.154 0.000 1.766 541 C CB -1.268 26.324 27.740 -0.247 0.000 2.046 541 C HN 0.467 nan 8.230 nan 0.000 0.475 542 L N -0.205 120.944 121.223 -0.124 0.000 2.093 542 L HA -0.211 4.134 4.340 0.008 0.000 0.208 542 L C 2.767 179.547 176.870 -0.150 0.000 1.085 542 L CA 1.473 56.242 54.840 -0.118 0.000 0.755 542 L CB -0.788 41.214 42.059 -0.094 0.000 0.904 542 L HN 0.484 nan 8.230 nan 0.000 0.435 543 Q N 0.199 119.901 119.800 -0.163 0.000 1.967 543 Q HA -0.237 4.108 4.340 0.008 0.000 0.202 543 Q C 1.778 177.628 176.000 -0.249 0.000 0.985 543 Q CA 1.976 57.604 55.803 -0.291 0.000 0.839 543 Q CB -0.236 28.399 28.738 -0.172 0.000 0.906 543 Q HN 0.438 nan 8.270 nan 0.000 0.423 544 D N 0.327 120.690 120.400 -0.061 0.000 2.315 544 D HA -0.151 4.493 4.640 0.008 0.000 0.211 544 D C 1.481 177.893 176.300 0.186 0.000 0.977 544 D CA 0.654 54.711 54.000 0.095 0.000 0.894 544 D CB -0.005 40.877 40.800 0.136 0.000 0.910 544 D HN 0.087 nan 8.370 nan 0.000 0.490 545 L N 0.202 121.425 121.223 -0.000 0.000 2.145 545 L HA 0.072 4.417 4.340 0.008 0.000 0.201 545 L C 1.797 178.690 176.870 0.039 0.000 1.075 545 L CA 1.421 56.263 54.840 0.003 0.000 0.773 545 L CB -0.187 41.812 42.059 -0.100 0.000 0.936 545 L HN -0.124 nan 8.230 nan 0.000 0.451 546 E N -1.831 118.349 120.200 -0.033 0.000 2.478 546 E HA -0.155 4.200 4.350 0.008 0.000 0.198 546 E C 1.285 178.014 176.600 0.214 0.000 1.046 546 E CA 0.625 57.041 56.400 0.026 0.000 0.870 546 E CB 0.066 29.741 29.700 -0.042 0.000 0.818 546 E HN 0.712 nan 8.360 nan 0.000 0.527 547 H N -1.680 117.415 119.070 0.042 0.000 2.788 547 H HA 0.099 4.660 4.556 0.008 0.000 0.262 547 H C 0.771 176.113 175.328 0.024 0.000 0.968 547 H CA 0.028 56.094 56.048 0.031 0.000 1.218 547 H CB 0.798 30.578 29.762 0.030 0.000 1.443 547 H HN 0.055 nan 8.280 nan 0.000 0.478 548 D N -0.747 119.754 120.400 0.168 0.000 3.203 548 D HA 0.003 4.648 4.640 0.008 0.000 0.249 548 D C 1.778 178.074 176.300 -0.007 0.000 1.522 548 D CA 0.099 54.117 54.000 0.031 0.000 1.248 548 D CB -0.340 40.417 40.800 -0.071 0.000 1.126 548 D HN 0.297 nan 8.370 nan 0.000 0.326 549 H N 0.949 120.021 119.070 0.004 0.000 2.431 549 H HA -0.084 4.476 4.556 0.008 0.000 0.297 549 H C 1.247 176.568 175.328 -0.013 0.000 1.115 549 H CA 1.703 57.745 56.048 -0.010 0.000 1.277 549 H CB 0.486 30.238 29.762 -0.017 0.000 1.372 549 H HN 0.150 nan 8.280 nan 0.000 0.516 550 A N -0.802 122.088 122.820 0.117 0.000 2.048 550 A HA 0.387 4.712 4.320 0.008 0.000 0.197 550 A C 2.092 179.703 177.584 0.045 0.000 1.486 550 A CA 0.814 52.883 52.037 0.054 0.000 1.029 550 A CB 0.038 19.055 19.000 0.029 0.000 1.101 550 A HN 0.372 nan 8.150 nan 0.000 0.470 551 G N -0.253 108.590 108.800 0.072 0.000 2.280 551 G HA2 -0.212 3.753 3.960 0.008 0.000 0.282 551 G HA3 -0.212 3.753 3.960 0.008 0.000 0.282 551 G C 0.235 175.167 174.900 0.053 0.000 1.000 551 G CA 0.837 45.981 45.100 0.073 0.000 0.751 551 G HN 1.018 nan 8.290 nan 0.000 0.515 552 V N 0.639 120.579 119.914 0.043 0.000 2.483 552 V HA 0.453 4.578 4.120 0.008 0.000 0.295 552 V C -1.703 174.411 176.094 0.032 0.000 1.035 552 V CA -1.907 60.410 62.300 0.027 0.000 0.896 552 V CB 1.986 33.815 31.823 0.010 0.000 0.986 552 V HN 0.009 nan 8.190 nan 0.000 0.447 553 P HA 0.194 nan 4.420 nan 0.000 0.264 553 P C -0.894 176.415 177.300 0.016 0.000 1.183 553 P CA 0.505 63.623 63.100 0.031 0.000 0.763 553 P CB 0.366 32.081 31.700 0.025 0.000 0.807 554 L N 2.358 123.588 121.223 0.012 0.000 2.350 554 L HA 0.521 4.866 4.340 0.008 0.000 0.260 554 L C 0.268 177.137 176.870 -0.002 0.000 1.015 554 L CA -0.936 53.903 54.840 -0.001 0.000 0.821 554 L CB 2.283 44.334 42.059 -0.013 0.000 1.370 554 L HN 0.138 nan 8.230 nan 0.000 0.416 555 K N 1.953 122.351 120.400 -0.003 0.000 2.334 555 K HA 0.545 4.870 4.320 0.008 0.000 0.265 555 K C -1.308 175.287 176.600 -0.007 0.000 1.039 555 K CA -0.568 55.718 56.287 -0.003 0.000 0.920 555 K CB 0.678 33.179 32.500 0.002 0.000 1.160 555 K HN 0.342 nan 8.250 nan 0.000 0.451 556 I N 3.069 123.631 120.570 -0.014 0.000 2.385 556 I HA 0.100 4.275 4.170 0.008 0.000 0.294 556 I C 0.451 176.556 176.117 -0.020 0.000 0.988 556 I CA -0.052 61.237 61.300 -0.019 0.000 1.265 556 I CB 1.715 39.698 38.000 -0.028 0.000 1.388 556 I HN 0.536 nan 8.210 nan 0.000 0.480 557 S N 5.620 121.309 115.700 -0.019 0.000 2.617 557 S HA 0.621 5.096 4.470 0.008 0.000 0.269 557 S C -2.520 172.059 174.600 -0.036 0.000 1.292 557 S CA -1.306 56.880 58.200 -0.024 0.000 1.010 557 S CB 0.526 63.716 63.200 -0.018 0.000 0.944 557 S HN 0.312 nan 8.310 nan 0.000 0.536 558 P HA 0.279 nan 4.420 nan 0.000 0.268 558 P C -2.427 174.818 177.300 -0.092 0.000 1.208 558 P CA -0.864 62.186 63.100 -0.083 0.000 0.777 558 P CB -0.606 31.037 31.700 -0.096 0.000 0.875 559 P HA 0.112 nan 4.420 nan 0.000 0.268 559 P C -0.865 176.365 177.300 -0.117 0.000 1.208 559 P CA 0.469 63.496 63.100 -0.122 0.000 0.777 559 P CB 0.448 31.995 31.700 -0.256 0.000 0.875 560 V N 2.067 122.036 119.914 0.092 0.000 2.969 560 V HA 0.194 4.319 4.120 0.008 0.000 0.304 560 V C -0.336 175.919 176.094 0.268 0.000 1.192 560 V CA -0.739 61.660 62.300 0.166 0.000 0.962 560 V CB 2.538 34.437 31.823 0.127 0.000 1.045 560 V HN 0.155 nan 8.190 nan 0.000 0.428 561 V N 2.974 123.055 119.914 0.279 0.000 2.509 561 V HA 0.668 4.793 4.120 0.008 0.000 0.284 561 V C 0.699 176.803 176.094 0.015 0.000 1.047 561 V CA -0.251 62.102 62.300 0.089 0.000 0.952 561 V CB 1.633 33.411 31.823 -0.075 0.000 0.988 561 V HN 1.053 nan 8.190 nan 0.000 0.469 562 A N 4.961 127.768 122.820 -0.023 0.000 2.362 562 A HA 0.641 4.966 4.320 0.008 0.000 0.276 562 A C -0.790 176.806 177.584 0.020 0.000 1.153 562 A CA -0.068 52.011 52.037 0.070 0.000 0.813 562 A CB -0.059 19.002 19.000 0.101 0.000 1.081 562 A HN 0.729 nan 8.150 nan 0.000 0.507 563 Y N 1.066 121.483 120.300 0.196 0.000 2.654 563 Y HA 0.768 5.322 4.550 0.008 0.000 0.328 563 Y C 0.614 176.501 175.900 -0.021 0.000 1.174 563 Y CA -0.538 57.700 58.100 0.230 0.000 1.293 563 Y CB 1.288 39.957 38.460 0.349 0.000 1.464 563 Y HN 0.652 nan 8.280 nan 0.000 0.559 564 R N 0.279 120.864 120.500 0.142 0.000 2.673 564 R HA 0.351 4.696 4.340 0.008 0.000 0.281 564 R C -1.726 174.599 176.300 0.042 0.000 0.991 564 R CA -0.925 55.090 56.100 -0.142 0.000 0.896 564 R CB 1.640 31.630 30.300 -0.516 0.000 1.201 564 R HN 0.600 nan 8.270 nan 0.000 0.457 565 E N 0.751 120.954 120.200 0.005 0.000 2.156 565 E HA 0.452 4.807 4.350 0.008 0.000 0.279 565 E C -0.673 176.082 176.600 0.259 0.000 0.965 565 E CA -0.399 56.100 56.400 0.165 0.000 0.789 565 E CB 2.139 31.854 29.700 0.024 0.000 1.098 565 E HN 0.412 nan 8.360 nan 0.000 0.397 566 T N 0.883 115.627 114.554 0.317 0.000 2.812 566 T HA 0.534 4.889 4.350 0.008 0.000 0.294 566 T C -1.328 173.351 174.700 -0.036 0.000 1.159 566 T CA -0.674 61.545 62.100 0.198 0.000 1.008 566 T CB 1.450 70.369 68.868 0.085 0.000 1.289 566 T HN 0.262 nan 8.240 nan 0.000 0.514 567 V N 0.876 120.710 119.914 -0.133 0.000 2.815 567 V HA 0.792 4.917 4.120 0.008 0.000 0.314 567 V C 0.473 176.496 176.094 -0.118 0.000 1.064 567 V CA -0.569 61.573 62.300 -0.264 0.000 0.952 567 V CB 1.678 33.306 31.823 -0.326 0.000 1.020 567 V HN 0.929 nan 8.190 nan 0.000 0.439 568 E N 1.547 121.675 120.200 -0.119 0.000 2.447 568 E HA 0.271 4.625 4.350 0.008 0.000 0.204 568 E C 0.651 177.212 176.600 -0.064 0.000 0.977 568 E CA 0.871 57.232 56.400 -0.065 0.000 0.950 568 E CB 0.562 30.229 29.700 -0.054 0.000 0.975 568 E HN 1.105 nan 8.360 nan 0.000 0.496 569 S N -1.736 113.909 115.700 -0.091 0.000 2.790 569 S HA 0.362 4.837 4.470 0.008 0.000 0.292 569 S C -0.639 173.905 174.600 -0.094 0.000 1.197 569 S CA -1.089 57.063 58.200 -0.081 0.000 0.851 569 S CB 1.215 64.369 63.200 -0.076 0.000 1.217 569 S HN 0.063 nan 8.310 nan 0.000 0.526 570 E N 0.682 120.831 120.200 -0.086 0.000 2.343 570 E HA 0.429 4.784 4.350 0.008 0.000 0.269 570 E C -0.655 175.884 176.600 -0.102 0.000 1.047 570 E CA -0.510 55.838 56.400 -0.087 0.000 0.874 570 E CB 0.800 30.451 29.700 -0.080 0.000 1.033 570 E HN 0.571 nan 8.360 nan 0.000 0.409 571 S N 2.282 117.923 115.700 -0.099 0.000 2.575 571 S HA -0.068 4.407 4.470 0.008 0.000 0.295 571 S C 1.169 175.683 174.600 -0.144 0.000 1.267 571 S CA -0.052 58.075 58.200 -0.121 0.000 1.074 571 S CB 0.851 64.000 63.200 -0.084 0.000 0.829 571 S HN 0.581 nan 8.310 nan 0.000 0.497 572 S N 2.730 118.313 115.700 -0.195 0.000 2.381 572 S HA -0.208 4.266 4.470 0.008 0.000 0.230 572 S C 0.886 175.374 174.600 -0.187 0.000 1.052 572 S CA 1.620 59.699 58.200 -0.201 0.000 1.068 572 S CB -0.300 62.733 63.200 -0.278 0.000 0.918 572 S HN 0.929 nan 8.310 nan 0.000 0.448 573 Q N -1.125 118.540 119.800 -0.225 0.000 2.590 573 Q HA 0.483 4.828 4.340 0.008 0.000 0.295 573 Q C -1.406 174.539 176.000 -0.091 0.000 0.973 573 Q CA -0.935 54.775 55.803 -0.155 0.000 0.768 573 Q CB 0.787 29.409 28.738 -0.193 0.000 1.479 573 Q HN -0.088 nan 8.270 nan 0.000 0.419 574 T N 1.350 115.908 114.554 0.006 0.000 2.933 574 T HA 0.325 4.680 4.350 0.008 0.000 0.306 574 T C -0.086 174.751 174.700 0.229 0.000 1.045 574 T CA 0.561 62.723 62.100 0.103 0.000 1.143 574 T CB 0.295 69.253 68.868 0.150 0.000 1.003 574 T HN 0.585 nan 8.240 nan 0.000 0.540 575 A N 3.150 126.106 122.820 0.227 0.000 2.310 575 A HA 0.738 5.063 4.320 0.008 0.000 0.299 575 A C -0.516 177.191 177.584 0.205 0.000 1.147 575 A CA -0.695 51.544 52.037 0.337 0.000 0.818 575 A CB 0.488 19.631 19.000 0.238 0.000 1.096 575 A HN 0.756 nan 8.150 nan 0.000 0.495 576 L N 1.354 122.568 121.223 -0.015 0.000 2.472 576 L HA 0.843 5.188 4.340 0.008 0.000 0.260 576 L C -0.625 175.937 176.870 -0.514 0.000 0.963 576 L CA 0.215 54.810 54.840 -0.408 0.000 0.829 576 L CB 2.246 43.992 42.059 -0.523 0.000 1.348 576 L HN 0.590 nan 8.230 nan 0.000 0.408 577 S N 2.017 117.489 115.700 -0.379 0.000 2.556 577 S HA 0.785 5.260 4.470 0.008 0.000 0.271 577 S C -1.761 172.703 174.600 -0.228 0.000 1.135 577 S CA -0.905 57.148 58.200 -0.245 0.000 0.858 577 S CB 2.019 65.161 63.200 -0.097 0.000 1.114 577 S HN 0.769 nan 8.310 nan 0.000 0.468 578 K N -0.292 120.015 120.400 -0.155 0.000 2.435 578 K HA 0.740 5.064 4.320 0.008 0.000 0.251 578 K C -0.128 176.437 176.600 -0.059 0.000 0.954 578 K CA -0.779 55.439 56.287 -0.115 0.000 0.820 578 K CB 1.492 33.922 32.500 -0.117 0.000 1.292 578 K HN 0.573 nan 8.250 nan 0.000 0.436 579 S N 0.645 116.328 115.700 -0.029 0.000 2.612 579 S HA 0.093 4.568 4.470 0.008 0.000 0.253 579 S C -1.758 172.842 174.600 0.001 0.000 1.346 579 S CA -0.768 57.428 58.200 -0.006 0.000 0.976 579 S CB 0.170 63.381 63.200 0.018 0.000 0.949 579 S HN 0.526 nan 8.310 nan 0.000 0.584 580 P HA -0.011 nan 4.420 nan 0.000 0.217 580 P C 1.192 178.515 177.300 0.037 0.000 1.151 580 P CA 0.816 63.921 63.100 0.008 0.000 0.828 580 P CB -0.100 31.600 31.700 -0.001 0.000 0.788 581 N N 0.139 118.882 118.700 0.072 0.000 2.060 581 N HA -0.183 4.562 4.740 0.008 0.000 0.195 581 N C 0.571 176.209 175.510 0.214 0.000 1.028 581 N CA 1.321 54.482 53.050 0.185 0.000 0.861 581 N CB -0.383 38.244 38.487 0.233 0.000 1.029 581 N HN 0.166 nan 8.380 nan 0.000 0.428 582 K N -1.991 118.456 120.400 0.078 0.000 3.395 582 K HA -0.144 4.181 4.320 0.008 0.000 0.293 582 K C -0.151 176.324 176.600 -0.208 0.000 1.344 582 K CA 0.462 56.709 56.287 -0.067 0.000 0.864 582 K CB -1.646 30.791 32.500 -0.104 0.000 1.483 582 K HN 0.496 nan 8.250 nan 0.000 0.497 583 H N -0.610 118.485 119.070 0.043 0.000 2.885 583 H HA 0.137 4.698 4.556 0.008 0.000 0.260 583 H C 0.082 175.449 175.328 0.065 0.000 0.985 583 H CA 0.161 56.258 56.048 0.082 0.000 1.210 583 H CB 0.605 30.488 29.762 0.200 0.000 1.466 583 H HN 0.276 nan 8.280 nan 0.000 0.493 584 N N 1.050 119.827 118.700 0.128 0.000 2.314 584 N HA 0.430 5.174 4.740 0.008 0.000 0.304 584 N C -0.698 174.811 175.510 -0.001 0.000 1.073 584 N CA -0.539 52.558 53.050 0.078 0.000 0.822 584 N CB 2.117 40.651 38.487 0.078 0.000 1.280 584 N HN -0.010 nan 8.380 nan 0.000 0.489 585 R N 1.347 121.835 120.500 -0.020 0.000 2.744 585 R HA 0.615 4.960 4.340 0.008 0.000 0.279 585 R C -1.048 175.167 176.300 -0.141 0.000 0.977 585 R CA -0.745 55.264 56.100 -0.153 0.000 0.906 585 R CB 2.069 32.229 30.300 -0.232 0.000 1.197 585 R HN 0.425 nan 8.270 nan 0.000 0.463 586 I N 2.495 122.911 120.570 -0.256 0.000 2.499 586 I HA 0.337 4.512 4.170 0.008 0.000 0.288 586 I C -1.246 174.734 176.117 -0.229 0.000 1.048 586 I CA -0.790 60.432 61.300 -0.130 0.000 1.062 586 I CB 1.574 39.543 38.000 -0.053 0.000 1.238 586 I HN 0.479 nan 8.210 nan 0.000 0.426 587 Y N 7.130 127.415 120.300 -0.024 0.000 2.335 587 Y HA 0.689 5.244 4.550 0.008 0.000 0.338 587 Y C -0.264 175.621 175.900 -0.025 0.000 0.977 587 Y CA -0.884 57.206 58.100 -0.017 0.000 1.114 587 Y CB 1.695 40.145 38.460 -0.017 0.000 1.182 587 Y HN 0.385 nan 8.280 nan 0.000 0.463 588 L N 0.176 121.482 121.223 0.137 0.000 2.630 588 L HA 0.795 5.140 4.340 0.008 0.000 0.258 588 L C -1.601 175.307 176.870 0.063 0.000 1.072 588 L CA -1.416 53.462 54.840 0.064 0.000 0.885 588 L CB 2.244 44.321 42.059 0.030 0.000 1.502 588 L HN 0.424 nan 8.230 nan 0.000 0.406 589 K N 0.019 120.433 120.400 0.022 0.000 2.502 589 K HA 0.924 5.249 4.320 0.008 0.000 0.257 589 K C -1.603 175.000 176.600 0.005 0.000 0.938 589 K CA -0.507 55.786 56.287 0.010 0.000 0.819 589 K CB 2.456 34.944 32.500 -0.019 0.000 1.333 589 K HN 1.100 nan 8.250 nan 0.000 0.434 590 A N 2.124 124.949 122.820 0.008 0.000 2.340 590 A HA 0.653 4.978 4.320 0.008 0.000 0.331 590 A C -1.239 176.330 177.584 -0.025 0.000 1.140 590 A CA -0.503 51.546 52.037 0.021 0.000 0.801 590 A CB 0.979 20.019 19.000 0.067 0.000 1.234 590 A HN 0.818 nan 8.150 nan 0.000 0.469 591 E N 1.065 121.255 120.200 -0.017 0.000 2.413 591 E HA 0.634 4.989 4.350 0.008 0.000 0.277 591 E C -3.154 173.440 176.600 -0.011 0.000 0.958 591 E CA -2.162 54.213 56.400 -0.041 0.000 0.779 591 E CB 1.726 31.385 29.700 -0.067 0.000 1.278 591 E HN 0.277 nan 8.360 nan 0.000 0.456 592 P HA 0.150 nan 4.420 nan 0.000 0.272 592 P C -0.604 176.729 177.300 0.056 0.000 1.223 592 P CA -0.157 62.952 63.100 0.015 0.000 0.784 592 P CB 0.466 32.166 31.700 -0.001 0.000 0.923 593 I N 1.596 122.223 120.570 0.094 0.000 2.493 593 I HA 0.229 4.404 4.170 0.008 0.000 0.298 593 I C 0.232 176.425 176.117 0.126 0.000 0.998 593 I CA -0.630 60.763 61.300 0.154 0.000 1.137 593 I CB 1.418 39.513 38.000 0.159 0.000 1.310 593 I HN 0.202 nan 8.210 nan 0.000 0.445 594 D N 5.388 125.881 120.400 0.155 0.000 2.425 594 D HA -0.005 4.640 4.640 0.008 0.000 0.247 594 D C 1.132 177.496 176.300 0.106 0.000 1.147 594 D CA -0.127 53.949 54.000 0.128 0.000 0.879 594 D CB 1.641 42.538 40.800 0.162 0.000 1.179 594 D HN 0.430 nan 8.370 nan 0.000 0.456 595 E N 2.097 122.355 120.200 0.097 0.000 2.169 595 E HA -0.238 4.117 4.350 0.008 0.000 0.202 595 E C 1.449 178.105 176.600 0.093 0.000 1.016 595 E CA 1.284 57.743 56.400 0.098 0.000 0.817 595 E CB 0.203 29.961 29.700 0.097 0.000 0.736 595 E HN 0.562 nan 8.360 nan 0.000 0.462 596 E N -0.204 120.061 120.200 0.108 0.000 2.058 596 E HA -0.155 4.200 4.350 0.008 0.000 0.194 596 E C 2.244 178.845 176.600 0.001 0.000 0.997 596 E CA 1.564 58.041 56.400 0.127 0.000 0.801 596 E CB -0.025 29.822 29.700 0.245 0.000 0.746 596 E HN 0.135 nan 8.360 nan 0.000 0.450 597 V N 1.018 120.891 119.914 -0.069 0.000 2.343 597 V HA -0.237 3.888 4.120 0.008 0.000 0.247 597 V C 2.339 178.348 176.094 -0.142 0.000 1.051 597 V CA 1.801 63.936 62.300 -0.275 0.000 1.036 597 V CB -0.609 31.122 31.823 -0.154 0.000 0.654 597 V HN 0.146 nan 8.190 nan 0.000 0.451 598 S N 0.334 116.025 115.700 -0.015 0.000 2.370 598 S HA -0.138 4.337 4.470 0.008 0.000 0.226 598 S C 1.908 176.536 174.600 0.046 0.000 1.033 598 S CA 1.435 59.655 58.200 0.033 0.000 1.011 598 S CB -0.397 62.843 63.200 0.068 0.000 0.852 598 S HN 0.345 nan 8.310 nan 0.000 0.457 599 L N 1.593 122.851 121.223 0.059 0.000 2.046 599 L HA 0.004 4.348 4.340 0.008 0.000 0.208 599 L C 2.606 179.504 176.870 0.046 0.000 1.077 599 L CA 1.606 56.498 54.840 0.086 0.000 0.747 599 L CB -1.529 40.591 42.059 0.102 0.000 0.896 599 L HN 0.295 nan 8.230 nan 0.000 0.432 600 A N -0.463 122.341 122.820 -0.025 0.000 1.908 600 A HA -0.201 4.124 4.320 0.008 0.000 0.218 600 A C 2.327 179.884 177.584 -0.044 0.000 1.181 600 A CA 1.892 53.888 52.037 -0.069 0.000 0.627 600 A CB -0.678 18.113 19.000 -0.349 0.000 0.818 600 A HN 0.399 nan 8.150 nan 0.000 0.445 601 I N -0.846 119.702 120.570 -0.038 0.000 2.252 601 I HA -0.225 3.950 4.170 0.008 0.000 0.245 601 I C 2.446 178.570 176.117 0.012 0.000 1.102 601 I CA 1.537 62.843 61.300 0.011 0.000 1.385 601 I CB -0.467 37.592 38.000 0.099 0.000 1.064 601 I HN 0.391 nan 8.210 nan 0.000 0.414 602 E N 0.802 121.028 120.200 0.043 0.000 2.150 602 E HA -0.136 4.219 4.350 0.008 0.000 0.193 602 E C 0.718 177.355 176.600 0.062 0.000 0.985 602 E CA 0.741 57.179 56.400 0.063 0.000 0.814 602 E CB 0.017 29.788 29.700 0.118 0.000 0.752 602 E HN 0.417 nan 8.360 nan 0.000 0.466 603 N N -0.168 118.568 118.700 0.061 0.000 2.451 603 N HA 0.076 4.821 4.740 0.008 0.000 0.264 603 N C 0.522 176.064 175.510 0.053 0.000 1.167 603 N CA 0.651 53.742 53.050 0.069 0.000 0.898 603 N CB 1.066 39.602 38.487 0.081 0.000 1.176 603 N HN 0.227 nan 8.380 nan 0.000 0.507 604 G N 0.852 109.670 108.800 0.030 0.000 2.238 604 G HA2 -0.346 3.619 3.960 0.008 0.000 0.270 604 G HA3 -0.346 3.619 3.960 0.008 0.000 0.270 604 G C 1.198 176.104 174.900 0.011 0.000 0.977 604 G CA 0.601 45.711 45.100 0.018 0.000 0.639 604 G HN 0.370 nan 8.290 nan 0.000 0.544 605 I N 0.795 121.379 120.570 0.023 0.000 2.090 605 I HA -0.042 4.133 4.170 0.008 0.000 0.236 605 I C 1.711 177.839 176.117 0.018 0.000 1.064 605 I CA 1.129 62.452 61.300 0.039 0.000 1.324 605 I CB -1.085 36.965 38.000 0.083 0.000 1.044 605 I HN 0.102 nan 8.210 nan 0.000 0.399 606 I N 3.227 123.787 120.570 -0.017 0.000 2.294 606 I HA 0.115 4.290 4.170 0.008 0.000 0.295 606 I C 0.290 176.386 176.117 -0.036 0.000 1.098 606 I CA 0.095 61.391 61.300 -0.007 0.000 1.277 606 I CB -0.668 37.314 38.000 -0.030 0.000 1.434 606 I HN 0.255 nan 8.210 nan 0.000 0.498 607 N N 8.636 127.305 118.700 -0.051 0.000 2.399 607 N HA 0.353 5.098 4.740 0.008 0.000 0.295 607 N C -2.069 173.286 175.510 -0.258 0.000 1.048 607 N CA -1.743 51.200 53.050 -0.179 0.000 0.886 607 N CB 2.945 41.380 38.487 -0.085 0.000 1.185 607 N HN 0.094 nan 8.380 nan 0.000 0.487 608 P HA 0.022 nan 4.420 nan 0.000 0.218 608 P C 0.544 177.793 177.300 -0.086 0.000 1.149 608 P CA 1.302 64.106 63.100 -0.494 0.000 0.817 608 P CB 0.369 31.685 31.700 -0.640 0.000 0.785 609 R N -1.300 119.149 120.500 -0.086 0.000 2.297 609 R HA 0.075 4.419 4.340 0.008 0.000 0.197 609 R C 0.462 176.779 176.300 0.029 0.000 0.943 609 R CA 0.046 56.141 56.100 -0.010 0.000 1.038 609 R CB -0.446 29.843 30.300 -0.018 0.000 0.957 609 R HN 0.255 nan 8.270 nan 0.000 0.484 610 D N 1.191 121.609 120.400 0.030 0.000 2.349 610 D HA -0.065 4.580 4.640 0.008 0.000 0.239 610 D C -0.302 176.047 176.300 0.081 0.000 1.315 610 D CA 0.253 54.282 54.000 0.047 0.000 0.937 610 D CB 0.294 41.121 40.800 0.045 0.000 1.133 610 D HN -0.079 nan 8.370 nan 0.000 0.489 611 D N -0.905 119.523 120.400 0.046 0.000 2.317 611 D HA 0.066 4.711 4.640 0.008 0.000 0.252 611 D C 1.038 177.348 176.300 0.017 0.000 1.174 611 D CA -0.370 53.643 54.000 0.021 0.000 0.866 611 D CB 0.191 40.946 40.800 -0.076 0.000 1.127 611 D HN 0.302 nan 8.370 nan 0.000 0.467 612 F N 3.333 123.317 119.950 0.058 0.000 2.147 612 F HA -0.204 4.328 4.527 0.008 0.000 0.301 612 F C 1.594 177.430 175.800 0.060 0.000 1.084 612 F CA 0.986 59.028 58.000 0.069 0.000 1.268 612 F CB -0.412 38.633 39.000 0.075 0.000 1.009 612 F HN 0.232 nan 8.300 nan 0.000 0.486 613 K N 1.046 121.009 120.400 -0.728 0.000 2.031 613 K HA 0.014 4.339 4.320 0.008 0.000 0.205 613 K C 2.566 179.058 176.600 -0.180 0.000 1.049 613 K CA 1.113 57.111 56.287 -0.481 0.000 0.939 613 K CB -0.626 31.492 32.500 -0.635 0.000 0.717 613 K HN 0.388 nan 8.250 nan 0.000 0.438 614 A N 1.957 124.684 122.820 -0.154 0.000 1.858 614 A HA -0.211 4.113 4.320 0.008 0.000 0.216 614 A C 2.175 179.750 177.584 -0.014 0.000 1.190 614 A CA 1.613 53.611 52.037 -0.065 0.000 0.617 614 A CB -0.585 18.385 19.000 -0.050 0.000 0.827 614 A HN 0.244 nan 8.150 nan 0.000 0.443 615 R N -0.397 120.107 120.500 0.008 0.000 2.103 615 R HA -0.169 4.176 4.340 0.008 0.000 0.242 615 R C 2.274 178.600 176.300 0.042 0.000 1.142 615 R CA 1.607 57.734 56.100 0.045 0.000 0.960 615 R CB -0.425 29.930 30.300 0.092 0.000 0.858 615 R HN 0.465 nan 8.270 nan 0.000 0.439 616 A N 0.757 123.608 122.820 0.053 0.000 1.902 616 A HA -0.183 4.142 4.320 0.008 0.000 0.217 616 A C 2.148 179.774 177.584 0.071 0.000 1.181 616 A CA 1.489 53.572 52.037 0.077 0.000 0.623 616 A CB -0.489 18.578 19.000 0.112 0.000 0.818 616 A HN 0.262 nan 8.150 nan 0.000 0.443 617 R N 0.182 120.706 120.500 0.041 0.000 2.083 617 R HA -0.112 4.232 4.340 0.008 0.000 0.237 617 R C 1.856 178.190 176.300 0.057 0.000 1.137 617 R CA 1.788 57.912 56.100 0.040 0.000 0.951 617 R CB -0.578 29.728 30.300 0.011 0.000 0.851 617 R HN 0.529 nan 8.270 nan 0.000 0.434 618 I N 0.062 120.669 120.570 0.061 0.000 2.142 618 I HA -0.296 3.879 4.170 0.008 0.000 0.240 618 I C 2.299 178.519 176.117 0.170 0.000 1.078 618 I CA 1.658 63.016 61.300 0.096 0.000 1.343 618 I CB -0.928 37.137 38.000 0.108 0.000 1.046 618 I HN 0.276 nan 8.210 nan 0.000 0.405 619 M N 0.329 120.012 119.600 0.139 0.000 2.159 619 M HA -0.180 4.305 4.480 0.008 0.000 0.263 619 M C 2.471 178.918 176.300 0.245 0.000 1.063 619 M CA 1.981 57.365 55.300 0.140 0.000 1.110 619 M CB -0.403 32.089 32.600 -0.181 0.000 1.374 619 M HN 0.288 nan 8.290 nan 0.000 0.411 620 A N 0.546 123.486 122.820 0.201 0.000 1.841 620 A HA -0.174 4.150 4.320 0.008 0.000 0.214 620 A C 1.643 179.313 177.584 0.143 0.000 1.195 620 A CA 2.052 54.212 52.037 0.204 0.000 0.611 620 A CB -0.776 18.311 19.000 0.146 0.000 0.835 620 A HN 0.351 nan 8.150 nan 0.000 0.443 621 D N 0.549 121.002 120.400 0.087 0.000 2.096 621 D HA -0.113 4.531 4.640 0.008 0.000 0.200 621 D C 1.265 177.550 176.300 -0.024 0.000 0.980 621 D CA 1.565 55.582 54.000 0.030 0.000 0.860 621 D CB -0.536 40.269 40.800 0.008 0.000 1.005 621 D HN 0.398 nan 8.370 nan 0.000 0.449 622 D N -1.072 119.262 120.400 -0.110 0.000 2.371 622 D HA -0.097 4.548 4.640 0.008 0.000 0.221 622 D C 0.651 176.569 176.300 -0.637 0.000 0.986 622 D CA 0.650 54.410 54.000 -0.401 0.000 0.899 622 D CB 0.084 40.526 40.800 -0.595 0.000 0.902 622 D HN 0.397 nan 8.370 nan 0.000 0.530 623 Y N -0.720 119.627 120.300 0.077 0.000 2.672 623 Y HA 0.319 4.874 4.550 0.008 0.000 0.252 623 Y C 1.277 177.307 175.900 0.217 0.000 1.132 623 Y CA -0.462 57.711 58.100 0.122 0.000 1.228 623 Y CB 0.767 39.272 38.460 0.074 0.000 1.310 623 Y HN -0.086 nan 8.280 nan 0.000 0.549 624 G N 0.572 109.531 108.800 0.266 0.000 2.359 624 G HA2 -0.303 3.662 3.960 0.008 0.000 0.298 624 G HA3 -0.303 3.662 3.960 0.008 0.000 0.298 624 G C -0.638 174.443 174.900 0.303 0.000 1.030 624 G CA -0.089 45.146 45.100 0.224 0.000 1.149 624 G HN 0.304 nan 8.290 nan 0.000 0.512 625 W N -0.216 121.131 121.300 0.078 0.000 2.761 625 W HA 0.553 5.218 4.660 0.008 0.000 0.340 625 W C -0.268 176.276 176.519 0.042 0.000 1.072 625 W CA -0.891 56.489 57.345 0.058 0.000 1.215 625 W CB 1.367 30.870 29.460 0.071 0.000 1.420 625 W HN 0.143 nan 8.180 nan 0.000 0.519 626 D N 1.988 122.464 120.400 0.127 0.000 2.358 626 D HA -0.011 4.633 4.640 0.008 0.000 0.258 626 D C 1.268 177.671 176.300 0.172 0.000 1.223 626 D CA 0.247 54.303 54.000 0.093 0.000 0.886 626 D CB 1.632 42.431 40.800 -0.001 0.000 1.120 626 D HN 0.225 nan 8.370 nan 0.000 0.482 627 V N 3.512 123.519 119.914 0.154 0.000 2.764 627 V HA -0.286 3.838 4.120 0.008 0.000 0.261 627 V C 1.762 177.944 176.094 0.148 0.000 1.108 627 V CA 2.139 64.533 62.300 0.155 0.000 1.129 627 V CB -0.252 31.636 31.823 0.108 0.000 0.701 627 V HN 0.620 nan 8.190 nan 0.000 0.495 628 T N -0.321 114.302 114.554 0.115 0.000 2.698 628 T HA -0.135 4.219 4.350 0.008 0.000 0.260 628 T C 1.601 176.370 174.700 0.114 0.000 1.044 628 T CA 1.565 63.722 62.100 0.095 0.000 1.149 628 T CB -0.375 68.523 68.868 0.050 0.000 0.864 628 T HN 0.560 nan 8.240 nan 0.000 0.419 629 D N 1.586 122.051 120.400 0.109 0.000 2.092 629 D HA -0.085 4.560 4.640 0.008 0.000 0.193 629 D C 2.388 178.853 176.300 0.275 0.000 0.994 629 D CA 1.431 55.507 54.000 0.127 0.000 0.828 629 D CB -0.555 40.249 40.800 0.007 0.000 0.963 629 D HN 0.375 nan 8.370 nan 0.000 0.450 630 A N 1.063 124.129 122.820 0.411 0.000 1.986 630 A HA -0.206 4.119 4.320 0.008 0.000 0.220 630 A C 2.114 179.828 177.584 0.217 0.000 1.171 630 A CA 1.252 53.478 52.037 0.315 0.000 0.640 630 A CB -0.477 18.676 19.000 0.255 0.000 0.811 630 A HN 0.144 nan 8.150 nan 0.000 0.451 631 R N -0.851 119.787 120.500 0.230 0.000 2.276 631 R HA 0.021 4.366 4.340 0.008 0.000 0.203 631 R C 0.532 176.956 176.300 0.206 0.000 1.017 631 R CA 0.637 56.909 56.100 0.288 0.000 1.010 631 R CB 0.058 30.529 30.300 0.285 0.000 0.900 631 R HN 0.263 nan 8.270 nan 0.000 0.469 632 K N 0.775 121.268 120.400 0.154 0.000 2.437 632 K HA 0.230 4.555 4.320 0.008 0.000 0.205 632 K C 0.254 176.925 176.600 0.118 0.000 1.026 632 K CA -0.062 56.291 56.287 0.111 0.000 1.153 632 K CB 0.470 32.992 32.500 0.037 0.000 0.863 632 K HN 0.139 nan 8.250 nan 0.000 0.502 633 I N 0.843 121.489 120.570 0.127 0.000 2.668 633 I HA -0.137 4.038 4.170 0.008 0.000 0.285 633 I C 0.880 177.131 176.117 0.224 0.000 1.168 633 I CA 0.033 61.377 61.300 0.073 0.000 1.424 633 I CB 0.341 38.319 38.000 -0.036 0.000 1.377 633 I HN 0.125 nan 8.210 nan 0.000 0.560 634 W N 6.160 127.397 121.300 -0.104 0.000 2.762 634 W HA 0.169 4.834 4.660 0.008 0.000 0.265 634 W C 0.700 177.201 176.519 -0.029 0.000 1.263 634 W CA -0.265 57.037 57.345 -0.071 0.000 1.411 634 W CB 0.038 29.443 29.460 -0.091 0.000 1.065 634 W HN 0.722 nan 8.180 nan 0.000 0.609 635 C N -3.662 115.732 119.300 0.157 0.000 0.000 635 C HA 0.575 5.039 4.460 0.008 0.000 0.000 635 C C -0.608 174.478 174.990 0.160 0.000 0.000 635 C CA -1.881 57.267 59.018 0.217 0.000 0.000 635 C CB 0.213 28.094 27.740 0.235 0.000 0.000 635 C HN -0.071 nan 8.230 nan 0.000 0.000 636 F N 0.714 120.759 119.950 0.159 0.000 2.585 636 F HA 0.921 5.453 4.527 0.008 0.000 0.350 636 F C 1.066 177.009 175.800 0.238 0.000 1.074 636 F CA 0.578 58.688 58.000 0.184 0.000 1.032 636 F CB 2.404 41.452 39.000 0.080 0.000 1.330 636 F HN 1.259 nan 8.300 nan 0.000 0.495 637 G N 0.443 109.469 108.800 0.377 0.000 2.519 637 G HA2 0.516 4.481 3.960 0.008 0.000 0.292 637 G HA3 0.516 4.481 3.960 0.008 0.000 0.292 637 G C -3.417 171.449 174.900 -0.057 0.000 1.507 637 G CA -1.081 44.068 45.100 0.082 0.000 0.806 637 G HN 0.206 nan 8.290 nan 0.000 0.523 638 P HA 0.301 nan 4.420 nan 0.000 0.297 638 P C -0.391 176.815 177.300 -0.156 0.000 1.303 638 P CA -0.142 62.827 63.100 -0.217 0.000 0.753 638 P CB 0.437 31.966 31.700 -0.285 0.000 1.281 639 D N -1.532 118.745 120.400 -0.205 0.000 2.792 639 D HA -0.200 4.445 4.640 0.008 0.000 0.231 639 D C 0.983 177.226 176.300 -0.096 0.000 1.160 639 D CA 1.704 55.604 54.000 -0.168 0.000 0.697 639 D CB -1.789 38.908 40.800 -0.172 0.000 1.070 639 D HN 0.850 nan 8.370 nan 0.000 0.426 640 G N 1.050 109.822 108.800 -0.046 0.000 2.180 640 G HA2 -0.385 3.580 3.960 0.008 0.000 0.263 640 G HA3 -0.385 3.580 3.960 0.008 0.000 0.263 640 G C 0.550 175.463 174.900 0.022 0.000 0.989 640 G CA 1.249 46.365 45.100 0.027 0.000 0.692 640 G HN 0.742 nan 8.290 nan 0.000 0.526 641 N N -1.546 117.149 118.700 -0.009 0.000 2.073 641 N HA 0.342 5.087 4.740 0.008 0.000 0.227 641 N C 0.796 176.292 175.510 -0.023 0.000 1.367 641 N CA 0.645 53.630 53.050 -0.108 0.000 0.775 641 N CB -0.280 38.102 38.487 -0.176 0.000 1.234 641 N HN 0.685 nan 8.380 nan 0.000 0.512 642 G N 0.959 109.794 108.800 0.059 0.000 2.599 642 G HA2 0.353 4.318 3.960 0.008 0.000 0.264 642 G HA3 0.353 4.318 3.960 0.008 0.000 0.264 642 G C -2.076 172.921 174.900 0.162 0.000 1.200 642 G CA -1.291 43.838 45.100 0.047 0.000 0.896 642 G HN 0.073 nan 8.290 nan 0.000 0.536 643 P HA 0.089 nan 4.420 nan 0.000 0.225 643 P C -0.962 176.408 177.300 0.117 0.000 1.768 643 P CA -0.028 63.142 63.100 0.118 0.000 0.943 643 P CB -0.434 31.299 31.700 0.054 0.000 1.936 644 N N 0.179 118.988 118.700 0.181 0.000 2.331 644 N HA 0.585 5.329 4.740 0.008 0.000 0.280 644 N C -0.965 174.707 175.510 0.271 0.000 1.155 644 N CA -0.662 52.527 53.050 0.231 0.000 0.822 644 N CB 1.836 40.458 38.487 0.225 0.000 1.619 644 N HN -0.060 nan 8.380 nan 0.000 0.476 645 L N 0.191 121.531 121.223 0.194 0.000 2.359 645 L HA 0.785 5.130 4.340 0.008 0.000 0.256 645 L C -1.135 175.556 176.870 -0.298 0.000 1.026 645 L CA -1.195 53.592 54.840 -0.090 0.000 0.828 645 L CB 2.184 44.117 42.059 -0.211 0.000 1.406 645 L HN 0.169 nan 8.230 nan 0.000 0.413 646 V N 2.791 122.426 119.914 -0.465 0.000 2.483 646 V HA 0.471 4.596 4.120 0.008 0.000 0.297 646 V C -0.592 175.325 176.094 -0.294 0.000 1.027 646 V CA -0.409 61.574 62.300 -0.529 0.000 0.855 646 V CB 2.111 33.514 31.823 -0.701 0.000 0.995 646 V HN 0.364 nan 8.190 nan 0.000 0.424 647 I N 3.486 123.902 120.570 -0.256 0.000 2.378 647 I HA 0.325 4.500 4.170 0.008 0.000 0.291 647 I C -0.053 175.845 176.117 -0.365 0.000 0.992 647 I CA -0.560 60.615 61.300 -0.207 0.000 1.154 647 I CB 1.681 39.633 38.000 -0.079 0.000 1.315 647 I HN 0.665 nan 8.210 nan 0.000 0.448 648 D N 5.895 125.999 120.400 -0.494 0.000 2.435 648 D HA 0.125 4.770 4.640 0.008 0.000 0.230 648 D C 0.449 176.572 176.300 -0.295 0.000 1.215 648 D CA 0.120 53.747 54.000 -0.622 0.000 0.947 648 D CB 0.518 40.798 40.800 -0.866 0.000 1.048 648 D HN 0.437 nan 8.370 nan 0.000 0.512 649 Q N 1.791 121.449 119.800 -0.236 0.000 2.246 649 Q HA 0.080 4.425 4.340 0.008 0.000 0.202 649 Q C 0.693 176.623 176.000 -0.116 0.000 0.883 649 Q CA -0.135 55.583 55.803 -0.143 0.000 0.952 649 Q CB 0.338 29.001 28.738 -0.125 0.000 1.078 649 Q HN 0.606 nan 8.270 nan 0.000 0.493 650 T N -0.643 113.831 114.554 -0.134 0.000 2.680 650 T HA 0.149 4.504 4.350 0.008 0.000 0.314 650 T C 0.039 174.709 174.700 -0.050 0.000 1.045 650 T CA -0.272 61.779 62.100 -0.082 0.000 1.025 650 T CB 0.799 69.628 68.868 -0.065 0.000 1.000 650 T HN -0.000 nan 8.240 nan 0.000 0.535 651 K N 0.753 121.133 120.400 -0.034 0.000 2.637 651 K HA 0.565 4.890 4.320 0.008 0.000 0.248 651 K C -0.191 176.400 176.600 -0.014 0.000 0.971 651 K CA -0.469 55.804 56.287 -0.023 0.000 0.858 651 K CB 1.666 34.146 32.500 -0.034 0.000 1.170 651 K HN 1.050 nan 8.250 nan 0.000 0.443 652 A N 1.272 124.090 122.820 -0.002 0.000 2.739 652 A HA -0.134 4.191 4.320 0.008 0.000 0.296 652 A C -0.198 177.384 177.584 -0.003 0.000 1.488 652 A CA 0.356 52.391 52.037 -0.004 0.000 0.746 652 A CB -1.813 17.178 19.000 -0.015 0.000 1.047 652 A HN 0.331 nan 8.150 nan 0.000 0.477 653 V N 2.001 121.926 119.914 0.019 0.000 2.320 653 V HA 0.252 4.377 4.120 0.008 0.000 0.265 653 V C 0.805 176.916 176.094 0.028 0.000 1.048 653 V CA 0.430 62.749 62.300 0.032 0.000 0.865 653 V CB 1.215 33.075 31.823 0.062 0.000 1.043 653 V HN 0.797 nan 8.190 nan 0.000 0.474 654 Q N 4.221 123.991 119.800 -0.050 0.000 2.315 654 Q HA -0.019 4.326 4.340 0.008 0.000 0.289 654 Q C -0.021 175.923 176.000 -0.093 0.000 1.044 654 Q CA 0.327 56.010 55.803 -0.201 0.000 0.920 654 Q CB 0.147 28.611 28.738 -0.458 0.000 1.214 654 Q HN 0.723 nan 8.270 nan 0.000 0.392 655 Y N 0.360 120.693 120.300 0.055 0.000 4.929 655 Y HA -0.340 4.215 4.550 0.008 0.000 0.253 655 Y C 0.787 176.606 175.900 -0.136 0.000 0.946 655 Y CA 0.681 58.731 58.100 -0.082 0.000 1.905 655 Y CB -2.077 36.349 38.460 -0.057 0.000 1.400 655 Y HN 0.711 nan 8.280 nan 0.000 0.531 656 L N 1.592 122.914 121.223 0.165 0.000 2.034 656 L HA -0.277 4.068 4.340 0.008 0.000 0.217 656 L C 2.907 179.888 176.870 0.185 0.000 1.077 656 L CA 2.923 57.889 54.840 0.210 0.000 0.769 656 L CB -0.750 41.471 42.059 0.271 0.000 0.890 656 L HN 0.633 nan 8.230 nan 0.000 0.435 657 H N -1.110 118.049 119.070 0.148 0.000 2.489 657 H HA -0.100 4.461 4.556 0.008 0.000 0.293 657 H C 1.477 176.797 175.328 -0.012 0.000 1.066 657 H CA 1.387 57.445 56.048 0.017 0.000 1.305 657 H CB -0.636 29.120 29.762 -0.011 0.000 1.386 657 H HN 0.588 nan 8.280 nan 0.000 0.551 658 E N 1.114 121.024 120.200 -0.483 0.000 2.478 658 E HA 0.008 4.363 4.350 0.008 0.000 0.198 658 E C 1.798 178.332 176.600 -0.110 0.000 1.046 658 E CA 0.911 57.145 56.400 -0.276 0.000 0.870 658 E CB 0.088 29.611 29.700 -0.294 0.000 0.818 658 E HN 0.772 nan 8.360 nan 0.000 0.527 659 I N -2.915 117.628 120.570 -0.044 0.000 4.154 659 I HA 0.188 4.363 4.170 0.008 0.000 0.334 659 I C 1.936 178.078 176.117 0.042 0.000 1.371 659 I CA -0.341 60.973 61.300 0.023 0.000 1.110 659 I CB 0.268 38.319 38.000 0.085 0.000 1.085 659 I HN -0.194 nan 8.210 nan 0.000 0.398 660 K N 2.072 122.418 120.400 -0.091 0.000 2.020 660 K HA -0.223 4.101 4.320 0.008 0.000 0.212 660 K C 1.433 177.930 176.600 -0.172 0.000 1.050 660 K CA 2.618 58.685 56.287 -0.367 0.000 0.929 660 K CB -0.075 31.929 32.500 -0.828 0.000 0.714 660 K HN 0.344 nan 8.250 nan 0.000 0.443 661 D N 0.121 120.446 120.400 -0.125 0.000 2.123 661 D HA -0.134 4.511 4.640 0.008 0.000 0.196 661 D C 2.035 178.350 176.300 0.025 0.000 0.992 661 D CA 1.257 55.228 54.000 -0.048 0.000 0.833 661 D CB -0.328 40.450 40.800 -0.037 0.000 0.954 661 D HN 0.171 nan 8.370 nan 0.000 0.455 662 S N 0.078 115.800 115.700 0.036 0.000 2.348 662 S HA -0.109 4.366 4.470 0.008 0.000 0.221 662 S C 2.404 177.076 174.600 0.120 0.000 1.033 662 S CA 0.722 58.964 58.200 0.070 0.000 1.010 662 S CB -0.348 62.885 63.200 0.054 0.000 0.891 662 S HN 0.084 nan 8.310 nan 0.000 0.442 663 V N 1.720 121.729 119.914 0.157 0.000 2.282 663 V HA -0.190 3.935 4.120 0.008 0.000 0.249 663 V C 2.335 178.577 176.094 0.246 0.000 1.057 663 V CA 1.695 64.133 62.300 0.231 0.000 1.032 663 V CB -0.880 31.192 31.823 0.414 0.000 0.645 663 V HN 0.333 nan 8.190 nan 0.000 0.447 664 V N 0.141 120.184 119.914 0.216 0.000 2.295 664 V HA -0.271 3.854 4.120 0.008 0.000 0.246 664 V C 2.724 178.956 176.094 0.229 0.000 1.049 664 V CA 2.032 64.468 62.300 0.225 0.000 1.024 664 V CB -1.242 30.659 31.823 0.131 0.000 0.648 664 V HN 0.571 nan 8.190 nan 0.000 0.447 665 A N 0.174 123.099 122.820 0.174 0.000 1.892 665 A HA -0.234 4.091 4.320 0.008 0.000 0.218 665 A C 2.452 180.201 177.584 0.275 0.000 1.188 665 A CA 2.582 54.735 52.037 0.193 0.000 0.631 665 A CB -0.990 18.118 19.000 0.180 0.000 0.822 665 A HN 0.612 nan 8.150 nan 0.000 0.447 666 A N -1.517 121.453 122.820 0.250 0.000 1.908 666 A HA -0.095 4.230 4.320 0.008 0.000 0.218 666 A C 2.046 179.782 177.584 0.254 0.000 1.181 666 A CA 1.741 53.924 52.037 0.242 0.000 0.627 666 A CB -0.761 18.332 19.000 0.156 0.000 0.818 666 A HN 0.662 nan 8.150 nan 0.000 0.445 667 F N 0.705 120.710 119.950 0.092 0.000 2.202 667 F HA -0.188 4.344 4.527 0.008 0.000 0.301 667 F C 2.421 178.234 175.800 0.022 0.000 1.082 667 F CA 1.860 59.896 58.000 0.061 0.000 1.313 667 F CB -0.131 38.915 39.000 0.076 0.000 1.024 667 F HN 0.231 nan 8.300 nan 0.000 0.495 668 Q N -1.021 118.779 119.800 0.000 0.000 2.124 668 Q HA -0.220 4.124 4.340 0.008 0.000 0.202 668 Q C 2.151 177.915 176.000 -0.392 0.000 0.977 668 Q CA 1.932 57.583 55.803 -0.253 0.000 0.850 668 Q CB -1.044 27.527 28.738 -0.279 0.000 0.901 668 Q HN 0.602 nan 8.270 nan 0.000 0.429 669 W N 0.711 121.944 121.300 -0.112 0.000 2.453 669 W HA 0.044 4.709 4.660 0.008 0.000 0.289 669 W C 2.478 178.912 176.519 -0.143 0.000 1.215 669 W CA 0.864 58.141 57.345 -0.114 0.000 1.297 669 W CB -0.440 28.968 29.460 -0.087 0.000 1.113 669 W HN 0.122 nan 8.180 nan 0.000 0.551 670 A N 0.282 123.109 122.820 0.012 0.000 1.940 670 A HA -0.234 4.091 4.320 0.008 0.000 0.219 670 A C 1.944 179.454 177.584 -0.123 0.000 1.176 670 A CA 2.601 54.620 52.037 -0.031 0.000 0.631 670 A CB -1.436 17.524 19.000 -0.067 0.000 0.814 670 A HN 0.320 nan 8.150 nan 0.000 0.446 671 T N -2.896 111.433 114.554 -0.375 0.000 3.043 671 T HA 0.015 4.370 4.350 0.008 0.000 0.263 671 T C 1.708 176.230 174.700 -0.298 0.000 1.094 671 T CA 1.404 63.256 62.100 -0.414 0.000 1.127 671 T CB -0.007 68.470 68.868 -0.652 0.000 0.905 671 T HN 0.347 nan 8.240 nan 0.000 0.490 672 K N 1.996 122.237 120.400 -0.264 0.000 2.116 672 K HA 0.091 4.416 4.320 0.008 0.000 0.203 672 K C 0.490 176.991 176.600 -0.166 0.000 1.052 672 K CA 0.913 57.054 56.287 -0.243 0.000 0.952 672 K CB 0.146 32.465 32.500 -0.302 0.000 0.729 672 K HN 0.498 nan 8.250 nan 0.000 0.446 673 E N 0.317 120.463 120.200 -0.091 0.000 2.460 673 E HA 0.267 4.622 4.350 0.008 0.000 0.249 673 E C -0.671 175.866 176.600 -0.104 0.000 0.962 673 E CA -0.502 55.844 56.400 -0.089 0.000 0.787 673 E CB 1.341 31.043 29.700 0.002 0.000 1.341 673 E HN 0.358 nan 8.360 nan 0.000 0.407 674 G N 2.656 111.287 108.800 -0.281 0.000 2.683 674 G HA2 0.108 4.073 3.960 0.008 0.000 0.260 674 G HA3 0.108 4.073 3.960 0.008 0.000 0.260 674 G C -1.404 173.089 174.900 -0.679 0.000 1.238 674 G CA -0.717 44.069 45.100 -0.522 0.000 0.934 674 G HN 0.281 nan 8.290 nan 0.000 0.534 675 P HA 0.104 nan 4.420 nan 0.000 0.251 675 P C 1.559 178.714 177.300 -0.243 0.000 1.223 675 P CA 0.289 62.914 63.100 -0.791 0.000 0.796 675 P CB 0.377 31.419 31.700 -1.096 0.000 1.068 676 I N -0.239 120.268 120.570 -0.104 0.000 2.333 676 I HA -0.062 4.113 4.170 0.008 0.000 0.246 676 I C 1.206 177.558 176.117 0.392 0.000 1.106 676 I CA 1.498 62.916 61.300 0.198 0.000 1.411 676 I CB -0.188 38.028 38.000 0.360 0.000 1.082 676 I HN -0.072 nan 8.210 nan 0.000 0.420 677 F N -1.767 118.136 119.950 -0.078 0.000 2.580 677 F HA 0.458 4.990 4.527 0.008 0.000 0.404 677 F C 0.488 176.277 175.800 -0.018 0.000 1.289 677 F CA -0.247 57.741 58.000 -0.020 0.000 1.052 677 F CB -0.624 38.390 39.000 0.022 0.000 2.111 677 F HN -0.002 nan 8.300 nan 0.000 0.458 678 G N -0.034 108.607 108.800 -0.264 0.000 2.184 678 G HA2 -0.249 3.716 3.960 0.008 0.000 0.264 678 G HA3 -0.249 3.716 3.960 0.008 0.000 0.264 678 G C 0.177 174.852 174.900 -0.374 0.000 0.975 678 G CA 0.576 45.493 45.100 -0.305 0.000 0.642 678 G HN 0.523 nan 8.290 nan 0.000 0.536 679 E N 0.645 120.496 120.200 -0.581 0.000 2.342 679 E HA 0.371 4.726 4.350 0.008 0.000 0.257 679 E C 0.556 176.970 176.600 -0.310 0.000 1.150 679 E CA -0.478 55.646 56.400 -0.460 0.000 0.926 679 E CB 0.557 29.880 29.700 -0.629 0.000 1.074 679 E HN 0.565 nan 8.360 nan 0.000 0.449 680 E N 0.703 120.752 120.200 -0.251 0.000 2.354 680 E HA 0.126 4.481 4.350 0.008 0.000 0.269 680 E C -0.067 176.388 176.600 -0.241 0.000 1.036 680 E CA -0.032 56.219 56.400 -0.248 0.000 0.876 680 E CB 0.778 30.326 29.700 -0.254 0.000 1.009 680 E HN 0.206 nan 8.360 nan 0.000 0.416 681 M N 2.176 121.641 119.600 -0.224 0.000 2.255 681 M HA 0.279 4.763 4.480 0.008 0.000 0.336 681 M C 0.081 176.294 176.300 -0.145 0.000 1.135 681 M CA 0.247 55.459 55.300 -0.146 0.000 1.145 681 M CB 0.965 33.489 32.600 -0.126 0.000 1.473 681 M HN 0.299 nan 8.290 nan 0.000 0.462 682 R N 0.379 120.829 120.500 -0.085 0.000 2.522 682 R HA 0.304 4.649 4.340 0.008 0.000 0.283 682 R C -0.935 175.359 176.300 -0.010 0.000 1.074 682 R CA -0.098 55.933 56.100 -0.115 0.000 0.925 682 R CB 1.254 31.375 30.300 -0.298 0.000 1.205 682 R HN 0.810 nan 8.270 nan 0.000 0.436 683 S N 0.778 116.494 115.700 0.026 0.000 3.858 683 S HA -0.122 4.353 4.470 0.008 0.000 0.356 683 S C -0.501 174.159 174.600 0.100 0.000 1.013 683 S CA 0.664 58.905 58.200 0.069 0.000 1.083 683 S CB -1.474 61.761 63.200 0.058 0.000 0.883 683 S HN 0.358 nan 8.310 nan 0.000 0.475 684 V N 1.388 121.385 119.914 0.137 0.000 2.417 684 V HA 0.649 4.774 4.120 0.008 0.000 0.291 684 V C 0.286 176.505 176.094 0.209 0.000 1.024 684 V CA -0.708 61.702 62.300 0.183 0.000 0.861 684 V CB 1.876 33.856 31.823 0.262 0.000 0.985 684 V HN 0.460 nan 8.190 nan 0.000 0.436 685 R N 4.359 124.951 120.500 0.153 0.000 2.338 685 R HA 0.692 5.037 4.340 0.008 0.000 0.317 685 R C -1.587 174.758 176.300 0.076 0.000 0.968 685 R CA -0.238 55.932 56.100 0.117 0.000 0.849 685 R CB 1.649 32.001 30.300 0.087 0.000 1.128 685 R HN 0.452 nan 8.270 nan 0.000 0.448 686 V N 5.335 125.260 119.914 0.019 0.000 2.407 686 V HA 0.379 4.504 4.120 0.008 0.000 0.291 686 V C -0.812 175.210 176.094 -0.119 0.000 1.018 686 V CA -0.865 61.418 62.300 -0.028 0.000 0.842 686 V CB 1.569 33.372 31.823 -0.032 0.000 0.996 686 V HN 0.871 nan 8.190 nan 0.000 0.426 687 N N 4.757 123.400 118.700 -0.096 0.000 2.444 687 N HA 0.523 5.268 4.740 0.008 0.000 0.262 687 N C -0.530 174.902 175.510 -0.130 0.000 0.974 687 N CA -0.471 52.499 53.050 -0.134 0.000 0.933 687 N CB 1.589 40.006 38.487 -0.118 0.000 1.137 687 N HN 0.592 nan 8.380 nan 0.000 0.498 688 I N 3.607 124.057 120.570 -0.200 0.000 2.406 688 I HA -0.011 4.164 4.170 0.008 0.000 0.293 688 I C 1.111 177.150 176.117 -0.129 0.000 1.101 688 I CA -0.023 61.171 61.300 -0.176 0.000 1.334 688 I CB 0.381 38.194 38.000 -0.313 0.000 1.421 688 I HN 0.564 nan 8.210 nan 0.000 0.513 689 L N 4.224 125.418 121.223 -0.049 0.000 2.095 689 L HA 0.099 4.444 4.340 0.008 0.000 0.204 689 L C 0.621 177.470 176.870 -0.036 0.000 1.080 689 L CA 1.063 55.877 54.840 -0.044 0.000 0.759 689 L CB -0.180 41.867 42.059 -0.020 0.000 0.914 689 L HN 0.612 nan 8.230 nan 0.000 0.439 690 D N -1.960 118.469 120.400 0.049 0.000 2.599 690 D HA 0.534 5.179 4.640 0.008 0.000 0.252 690 D C -1.487 174.948 176.300 0.226 0.000 1.232 690 D CA -0.223 53.814 54.000 0.062 0.000 0.819 690 D CB 2.888 43.608 40.800 -0.133 0.000 1.401 690 D HN -0.304 nan 8.370 nan 0.000 0.429 691 V N 0.745 120.765 119.914 0.177 0.000 2.851 691 V HA 0.622 4.747 4.120 0.008 0.000 0.307 691 V C -0.635 175.556 176.094 0.162 0.000 1.129 691 V CA -0.800 61.605 62.300 0.175 0.000 0.932 691 V CB 2.095 33.983 31.823 0.107 0.000 1.024 691 V HN 0.770 nan 8.190 nan 0.000 0.426 692 T N 2.687 117.337 114.554 0.161 0.000 2.840 692 T HA 0.826 5.181 4.350 0.008 0.000 0.287 692 T C -1.018 173.756 174.700 0.124 0.000 0.991 692 T CA -0.551 61.632 62.100 0.137 0.000 0.964 692 T CB 1.019 69.976 68.868 0.148 0.000 0.954 692 T HN 0.395 nan 8.240 nan 0.000 0.438 693 L N 2.790 124.098 121.223 0.142 0.000 2.346 693 L HA 0.499 4.843 4.340 0.008 0.000 0.274 693 L C 0.357 177.341 176.870 0.190 0.000 1.007 693 L CA -1.392 53.547 54.840 0.165 0.000 0.818 693 L CB 1.799 43.967 42.059 0.183 0.000 1.284 693 L HN 0.793 nan 8.230 nan 0.000 0.424 694 H N 1.140 120.265 119.070 0.092 0.000 2.972 694 H HA 0.032 4.593 4.556 0.008 0.000 0.343 694 H C 1.002 176.352 175.328 0.036 0.000 1.054 694 H CA 0.703 56.794 56.048 0.072 0.000 1.412 694 H CB 1.471 31.236 29.762 0.005 0.000 1.385 694 H HN 0.791 nan 8.280 nan 0.000 0.600 695 A N 4.078 126.973 122.820 0.126 0.000 1.933 695 A HA -0.118 4.207 4.320 0.008 0.000 0.218 695 A C 0.518 178.139 177.584 0.060 0.000 1.175 695 A CA 1.442 53.590 52.037 0.185 0.000 0.628 695 A CB -0.066 19.018 19.000 0.140 0.000 0.814 695 A HN 0.800 nan 8.150 nan 0.000 0.444 696 D N -0.524 120.053 120.400 0.295 0.000 2.225 696 D HA 0.475 5.120 4.640 0.008 0.000 0.248 696 D C 1.134 177.328 176.300 -0.177 0.000 1.096 696 D CA 0.558 54.539 54.000 -0.033 0.000 0.863 696 D CB 1.574 42.330 40.800 -0.073 0.000 1.156 696 D HN 0.164 nan 8.370 nan 0.000 0.450 697 A N 4.022 126.715 122.820 -0.213 0.000 1.940 697 A HA -0.144 4.181 4.320 0.008 0.000 0.219 697 A C 1.403 178.883 177.584 -0.174 0.000 1.176 697 A CA 0.714 52.633 52.037 -0.198 0.000 0.631 697 A CB -0.474 18.421 19.000 -0.176 0.000 0.814 697 A HN 0.613 nan 8.150 nan 0.000 0.446 701 G N -0.603 108.160 108.800 -0.061 0.000 2.651 701 G HA2 0.329 4.294 3.960 0.008 0.000 0.260 701 G HA3 0.329 4.294 3.960 0.008 0.000 0.260 701 G C 1.133 176.016 174.900 -0.029 0.000 1.216 701 G CA 0.080 45.151 45.100 -0.049 0.000 0.913 701 G HN 0.157 nan 8.290 nan 0.000 0.535 702 G N -0.198 108.589 108.800 -0.022 0.000 2.446 702 G HA2 -0.050 3.915 3.960 0.008 0.000 0.217 702 G HA3 -0.050 3.915 3.960 0.008 0.000 0.217 702 G C 1.832 176.721 174.900 -0.018 0.000 1.168 702 G CA 1.463 46.557 45.100 -0.010 0.000 0.771 702 G HN 1.000 nan 8.290 nan 0.000 0.551 703 G N -0.404 108.378 108.800 -0.029 0.000 2.485 703 G HA2 -0.179 3.786 3.960 0.008 0.000 0.221 703 G HA3 -0.179 3.786 3.960 0.008 0.000 0.221 703 G C 1.857 176.738 174.900 -0.031 0.000 1.115 703 G CA 1.248 46.326 45.100 -0.036 0.000 0.751 703 G HN 0.404 nan 8.290 nan 0.000 0.567 704 Q N -0.347 119.438 119.800 -0.024 0.000 2.178 704 Q HA 0.134 4.479 4.340 0.008 0.000 0.195 704 Q C 2.829 178.826 176.000 -0.005 0.000 0.960 704 Q CA 0.267 56.061 55.803 -0.015 0.000 0.843 704 Q CB -0.247 28.484 28.738 -0.013 0.000 0.927 704 Q HN 0.393 nan 8.270 nan 0.000 0.487 705 I N 1.244 121.816 120.570 0.004 0.000 2.202 705 I HA -0.194 3.981 4.170 0.008 0.000 0.242 705 I C 2.503 178.632 176.117 0.019 0.000 1.091 705 I CA 0.945 62.256 61.300 0.019 0.000 1.368 705 I CB -1.165 36.858 38.000 0.038 0.000 1.058 705 I HN 0.136 nan 8.210 nan 0.000 0.410 706 I N 1.231 121.811 120.570 0.017 0.000 2.145 706 I HA -0.275 3.900 4.170 0.008 0.000 0.244 706 I C -0.300 175.810 176.117 -0.013 0.000 1.075 706 I CA 2.009 63.320 61.300 0.018 0.000 1.332 706 I CB -1.919 36.086 38.000 0.008 0.000 1.033 706 I HN 0.182 nan 8.210 nan 0.000 0.410 707 P HA -0.080 nan 4.420 nan 0.000 0.217 707 P C 1.621 178.897 177.300 -0.039 0.000 1.151 707 P CA 1.401 64.471 63.100 -0.051 0.000 0.828 707 P CB -0.087 31.585 31.700 -0.046 0.000 0.788 708 T N 0.007 114.548 114.554 -0.022 0.000 2.580 708 T HA -0.247 4.108 4.350 0.008 0.000 0.265 708 T C 1.772 176.461 174.700 -0.019 0.000 1.063 708 T CA 1.915 64.001 62.100 -0.022 0.000 1.170 708 T CB -0.971 67.883 68.868 -0.022 0.000 0.863 708 T HN 0.048 nan 8.240 nan 0.000 0.418 709 M N 1.319 120.920 119.600 0.002 0.000 2.106 709 M HA -0.096 4.389 4.480 0.008 0.000 0.259 709 M C 2.196 178.495 176.300 -0.000 0.000 1.068 709 M CA 1.579 56.894 55.300 0.024 0.000 1.100 709 M CB -0.455 32.188 32.600 0.072 0.000 1.351 709 M HN -0.015 nan 8.290 nan 0.000 0.404 710 R N -0.120 120.348 120.500 -0.054 0.000 2.083 710 R HA -0.144 4.201 4.340 0.008 0.000 0.237 710 R C 2.230 178.323 176.300 -0.345 0.000 1.137 710 R CA 1.939 57.913 56.100 -0.210 0.000 0.951 710 R CB -0.264 29.894 30.300 -0.237 0.000 0.851 710 R HN 0.494 nan 8.270 nan 0.000 0.434 711 R N -0.436 119.965 120.500 -0.164 0.000 2.090 711 R HA -0.018 4.326 4.340 0.008 0.000 0.228 711 R C 2.301 178.640 176.300 0.065 0.000 1.110 711 R CA 1.095 57.175 56.100 -0.034 0.000 0.973 711 R CB -0.335 30.037 30.300 0.120 0.000 0.869 711 R HN 0.202 nan 8.270 nan 0.000 0.440 712 A N 0.930 123.777 122.820 0.045 0.000 1.877 712 A HA -0.152 4.173 4.320 0.008 0.000 0.216 712 A C 2.229 179.897 177.584 0.139 0.000 1.186 712 A CA 1.951 54.042 52.037 0.089 0.000 0.620 712 A CB -0.899 18.119 19.000 0.029 0.000 0.822 712 A HN 0.247 nan 8.150 nan 0.000 0.443 713 T N -0.951 113.669 114.554 0.109 0.000 2.684 713 T HA -0.179 4.176 4.350 0.008 0.000 0.267 713 T C 1.810 176.681 174.700 0.285 0.000 1.036 713 T CA 1.748 63.962 62.100 0.190 0.000 1.148 713 T CB -0.456 68.529 68.868 0.196 0.000 0.863 713 T HN 0.472 nan 8.240 nan 0.000 0.436 714 Y N 1.537 121.822 120.300 -0.024 0.000 2.128 714 Y HA -0.031 4.524 4.550 0.008 0.000 0.284 714 Y C 2.800 178.740 175.900 0.067 0.000 1.154 714 Y CA 0.169 58.176 58.100 -0.155 0.000 1.149 714 Y CB -1.429 36.612 38.460 -0.699 0.000 0.976 714 Y HN 0.215 nan 8.280 nan 0.000 0.505 715 A N 0.047 123.068 122.820 0.334 0.000 1.865 715 A HA -0.162 4.163 4.320 0.008 0.000 0.217 715 A C 2.716 180.500 177.584 0.334 0.000 1.191 715 A CA 2.086 54.392 52.037 0.447 0.000 0.623 715 A CB -1.497 17.817 19.000 0.523 0.000 0.826 715 A HN 0.457 nan 8.150 nan 0.000 0.444 716 G N -1.120 107.839 108.800 0.265 0.000 2.491 716 G HA2 -0.313 3.652 3.960 0.008 0.000 0.218 716 G HA3 -0.313 3.652 3.960 0.008 0.000 0.218 716 G C 1.493 176.489 174.900 0.160 0.000 1.180 716 G CA 1.303 46.506 45.100 0.172 0.000 0.774 716 G HN 0.505 nan 8.290 nan 0.000 0.562 717 F N 0.645 120.652 119.950 0.095 0.000 2.043 717 F HA -0.151 4.381 4.527 0.008 0.000 0.297 717 F C 2.384 178.211 175.800 0.045 0.000 1.118 717 F CA 1.381 59.419 58.000 0.063 0.000 1.202 717 F CB -0.213 38.821 39.000 0.057 0.000 0.965 717 F HN 0.043 nan 8.300 nan 0.000 0.482 718 L N 0.155 121.580 121.223 0.336 0.000 2.265 718 L HA -0.156 4.189 4.340 0.008 0.000 0.215 718 L C 2.058 178.959 176.870 0.052 0.000 1.117 718 L CA 1.399 56.383 54.840 0.240 0.000 0.782 718 L CB -1.233 41.054 42.059 0.380 0.000 0.914 718 L HN 0.316 nan 8.230 nan 0.000 0.441 719 L N -1.374 119.827 121.223 -0.036 0.000 2.446 719 L HA 0.093 4.438 4.340 0.008 0.000 0.219 719 L C 1.759 178.512 176.870 -0.195 0.000 1.116 719 L CA 0.327 55.037 54.840 -0.216 0.000 0.844 719 L CB -0.232 41.626 42.059 -0.335 0.000 0.970 719 L HN 0.159 nan 8.230 nan 0.000 0.457 720 A N -0.247 122.460 122.820 -0.188 0.000 2.503 720 A HA 0.035 4.360 4.320 0.008 0.000 0.263 720 A C 0.054 177.507 177.584 -0.219 0.000 1.360 720 A CA -0.093 51.825 52.037 -0.198 0.000 0.969 720 A CB -0.582 18.297 19.000 -0.201 0.000 1.000 720 A HN 0.429 nan 8.150 nan 0.000 0.530 721 D N -0.777 119.513 120.400 -0.184 0.000 3.620 721 D HA -0.095 4.550 4.640 0.008 0.000 0.237 721 D C -2.799 173.384 176.300 -0.195 0.000 1.111 721 D CA 0.260 54.172 54.000 -0.146 0.000 1.070 721 D CB -0.620 40.113 40.800 -0.111 0.000 0.891 721 D HN 0.291 nan 8.370 nan 0.000 0.412 722 P HA 0.408 nan 4.420 nan 0.000 0.271 722 P C -0.498 176.768 177.300 -0.056 0.000 1.218 722 P CA -0.015 62.968 63.100 -0.195 0.000 0.780 722 P CB 0.704 32.384 31.700 -0.033 0.000 0.901 723 K N 1.031 121.430 120.400 -0.001 0.000 2.575 723 K HA 0.640 4.965 4.320 0.008 0.000 0.279 723 K C -1.086 175.588 176.600 0.123 0.000 0.969 723 K CA -0.704 55.611 56.287 0.048 0.000 0.868 723 K CB 1.625 34.139 32.500 0.023 0.000 1.457 723 K HN 0.482 nan 8.250 nan 0.000 0.426 724 I N -1.405 119.241 120.570 0.126 0.000 2.740 724 I HA 0.521 4.696 4.170 0.008 0.000 0.303 724 I C -1.207 175.038 176.117 0.213 0.000 1.044 724 I CA -0.563 60.853 61.300 0.193 0.000 1.064 724 I CB 2.140 40.258 38.000 0.198 0.000 1.249 724 I HN 0.474 nan 8.210 nan 0.000 0.433 725 Q N 4.199 124.161 119.800 0.271 0.000 2.306 725 Q HA 0.425 4.769 4.340 0.008 0.000 0.265 725 Q C -1.255 175.064 176.000 0.532 0.000 1.022 725 Q CA -0.792 55.209 55.803 0.331 0.000 0.853 725 Q CB 2.497 31.396 28.738 0.268 0.000 1.327 725 Q HN 0.740 nan 8.270 nan 0.000 0.449 726 E N 1.726 122.207 120.200 0.469 0.000 2.212 726 E HA 0.554 4.908 4.350 0.008 0.000 0.268 726 E C -2.684 174.017 176.600 0.169 0.000 0.902 726 E CA -2.278 54.330 56.400 0.347 0.000 0.779 726 E CB 1.946 31.811 29.700 0.274 0.000 1.172 726 E HN 0.183 nan 8.360 nan 0.000 0.409 727 P HA 0.157 nan 4.420 nan 0.000 0.281 727 P C -0.694 176.255 177.300 -0.585 0.000 1.249 727 P CA -0.522 62.231 63.100 -0.578 0.000 0.810 727 P CB 1.393 32.596 31.700 -0.829 0.000 1.008 728 V N 2.303 121.719 119.914 -0.830 0.000 2.760 728 V HA 0.339 4.464 4.120 0.008 0.000 0.309 728 V C -0.074 175.579 176.094 -0.735 0.000 1.077 728 V CA -0.511 61.326 62.300 -0.771 0.000 0.910 728 V CB 1.454 32.770 31.823 -0.845 0.000 1.008 728 V HN 0.354 nan 8.190 nan 0.000 0.424 729 F N 3.151 122.885 119.950 -0.361 0.000 2.370 729 F HA 0.545 5.077 4.527 0.008 0.000 0.319 729 F C 0.278 176.016 175.800 -0.103 0.000 1.129 729 F CA -0.923 56.925 58.000 -0.254 0.000 1.109 729 F CB 1.032 39.892 39.000 -0.233 0.000 1.262 729 F HN 0.269 nan 8.300 nan 0.000 0.534 730 L N 3.617 124.944 121.223 0.173 0.000 2.324 730 L HA 0.522 4.867 4.340 0.008 0.000 0.274 730 L C -1.373 175.483 176.870 -0.023 0.000 1.012 730 L CA -0.634 54.282 54.840 0.127 0.000 0.859 730 L CB 1.008 43.143 42.059 0.128 0.000 1.224 730 L HN 0.411 nan 8.230 nan 0.000 0.429 731 V N 5.685 125.549 119.914 -0.082 0.000 2.407 731 V HA 0.372 4.497 4.120 0.008 0.000 0.278 731 V C -0.204 175.827 176.094 -0.104 0.000 1.037 731 V CA -0.288 61.933 62.300 -0.132 0.000 0.900 731 V CB 1.800 33.514 31.823 -0.180 0.000 0.983 731 V HN 0.879 nan 8.190 nan 0.000 0.459 732 E N 6.415 126.557 120.200 -0.097 0.000 2.175 732 E HA 0.563 4.917 4.350 0.008 0.000 0.278 732 E C -1.235 175.331 176.600 -0.056 0.000 0.969 732 E CA -0.645 55.713 56.400 -0.071 0.000 0.796 732 E CB 1.434 31.097 29.700 -0.061 0.000 1.104 732 E HN 0.758 nan 8.360 nan 0.000 0.395 733 I N 3.616 124.166 120.570 -0.033 0.000 2.466 733 I HA 0.194 4.369 4.170 0.008 0.000 0.289 733 I C -0.703 175.432 176.117 0.030 0.000 1.026 733 I CA -0.984 60.308 61.300 -0.014 0.000 1.078 733 I CB 2.033 40.013 38.000 -0.034 0.000 1.249 733 I HN 0.440 nan 8.210 nan 0.000 0.429 734 Q N 4.384 124.233 119.800 0.082 0.000 2.257 734 Q HA 0.602 4.947 4.340 0.008 0.000 0.255 734 Q C -1.104 174.948 176.000 0.087 0.000 0.920 734 Q CA 0.008 55.872 55.803 0.102 0.000 0.927 734 Q CB 1.827 30.649 28.738 0.140 0.000 1.229 734 Q HN 0.704 nan 8.270 nan 0.000 0.433 735 C N 4.683 124.037 119.300 0.090 0.000 3.247 735 C HA 0.516 4.981 4.460 0.008 0.000 0.375 735 C C -2.803 172.271 174.990 0.141 0.000 1.102 735 C CA -1.631 57.438 59.018 0.084 0.000 1.227 735 C CB 1.435 29.205 27.740 0.050 0.000 1.586 735 C HN 0.639 nan 8.230 nan 0.000 0.544 736 P HA 0.115 nan 4.420 nan 0.000 0.264 736 P C 0.760 178.187 177.300 0.213 0.000 1.193 736 P CA 0.676 63.883 63.100 0.178 0.000 0.763 736 P CB 0.497 32.291 31.700 0.156 0.000 0.810 737 E N 3.107 123.477 120.200 0.283 0.000 2.197 737 E HA -0.354 4.001 4.350 0.008 0.000 0.205 737 E C 1.424 178.164 176.600 0.233 0.000 1.029 737 E CA 1.913 58.565 56.400 0.420 0.000 0.828 737 E CB 0.113 30.029 29.700 0.361 0.000 0.737 737 E HN 0.578 nan 8.360 nan 0.000 0.464 738 Q N -0.672 119.222 119.800 0.156 0.000 2.124 738 Q HA -0.086 4.259 4.340 0.008 0.000 0.202 738 Q C 1.895 177.946 176.000 0.085 0.000 0.977 738 Q CA 1.544 57.410 55.803 0.105 0.000 0.850 738 Q CB -0.150 28.637 28.738 0.082 0.000 0.901 738 Q HN 0.203 nan 8.270 nan 0.000 0.429 739 A N 0.711 123.581 122.820 0.083 0.000 2.267 739 A HA 0.178 4.503 4.320 0.008 0.000 0.213 739 A C 2.097 179.701 177.584 0.033 0.000 1.192 739 A CA -0.067 52.001 52.037 0.050 0.000 0.851 739 A CB 0.014 19.037 19.000 0.039 0.000 0.881 739 A HN 0.181 nan 8.150 nan 0.000 0.494 740 V N 0.312 120.258 119.914 0.053 0.000 2.794 740 V HA -0.261 3.864 4.120 0.008 0.000 0.260 740 V C 2.654 178.752 176.094 0.007 0.000 1.103 740 V CA 1.797 64.092 62.300 -0.008 0.000 1.125 740 V CB -1.395 30.424 31.823 -0.006 0.000 0.702 740 V HN 0.594 nan 8.190 nan 0.000 0.494 741 G N 0.627 109.464 108.800 0.061 0.000 2.480 741 G HA2 -0.190 3.775 3.960 0.008 0.000 0.216 741 G HA3 -0.190 3.775 3.960 0.008 0.000 0.216 741 G C 1.652 176.588 174.900 0.060 0.000 1.200 741 G CA 0.852 46.008 45.100 0.093 0.000 0.782 741 G HN 0.580 nan 8.290 nan 0.000 0.554 742 G N 0.796 109.605 108.800 0.014 0.000 2.485 742 G HA2 -0.191 3.774 3.960 0.008 0.000 0.221 742 G HA3 -0.191 3.774 3.960 0.008 0.000 0.221 742 G C 1.693 176.565 174.900 -0.046 0.000 1.115 742 G CA 0.879 45.972 45.100 -0.012 0.000 0.751 742 G HN 0.475 nan 8.290 nan 0.000 0.567 743 I N -0.521 119.983 120.570 -0.110 0.000 2.045 743 I HA -0.215 3.960 4.170 0.008 0.000 0.233 743 I C 2.374 178.398 176.117 -0.156 0.000 1.048 743 I CA 1.310 62.487 61.300 -0.205 0.000 1.313 743 I CB -0.525 37.228 38.000 -0.411 0.000 1.043 743 I HN 0.119 nan 8.210 nan 0.000 0.393 744 Y N 0.632 120.928 120.300 -0.005 0.000 2.298 744 Y HA -0.286 4.269 4.550 0.007 0.000 0.287 744 Y C 2.963 178.870 175.900 0.012 0.000 1.164 744 Y CA 1.578 59.677 58.100 -0.001 0.000 1.229 744 Y CB -1.023 37.422 38.460 -0.025 0.000 0.977 744 Y HN 0.203 nan 8.280 nan 0.000 0.538 745 S N -0.373 115.404 115.700 0.128 0.000 2.348 745 S HA -0.152 4.323 4.470 0.008 0.000 0.221 745 S C 2.114 176.757 174.600 0.070 0.000 1.033 745 S CA 1.700 59.950 58.200 0.084 0.000 1.010 745 S CB -0.669 62.561 63.200 0.050 0.000 0.891 745 S HN 0.199 nan 8.310 nan 0.000 0.442 746 V N 2.143 122.088 119.914 0.052 0.000 2.591 746 V HA 0.012 4.137 4.120 0.008 0.000 0.249 746 V C 2.367 178.541 176.094 0.133 0.000 1.053 746 V CA 1.169 63.512 62.300 0.071 0.000 1.068 746 V CB -0.670 31.163 31.823 0.016 0.000 0.689 746 V HN 0.460 nan 8.190 nan 0.000 0.462 747 L N 0.500 121.803 121.223 0.133 0.000 2.127 747 L HA -0.156 4.189 4.340 0.008 0.000 0.211 747 L C 2.116 179.057 176.870 0.118 0.000 1.089 747 L CA 1.317 56.242 54.840 0.141 0.000 0.757 747 L CB -0.626 41.501 42.059 0.113 0.000 0.899 747 L HN 0.431 nan 8.230 nan 0.000 0.434 748 N N 0.392 119.159 118.700 0.111 0.000 2.521 748 N HA -0.077 4.668 4.740 0.008 0.000 0.188 748 N C 0.879 176.436 175.510 0.078 0.000 1.146 748 N CA 0.815 53.919 53.050 0.090 0.000 0.893 748 N CB 0.139 38.675 38.487 0.083 0.000 0.975 748 N HN 0.386 nan 8.380 nan 0.000 0.451 749 K N -0.225 120.227 120.400 0.086 0.000 2.478 749 K HA 0.214 4.539 4.320 0.008 0.000 0.205 749 K C 0.377 177.032 176.600 0.091 0.000 1.033 749 K CA 0.081 56.415 56.287 0.079 0.000 1.091 749 K CB 0.823 33.367 32.500 0.073 0.000 0.844 749 K HN -0.192 nan 8.250 nan 0.000 0.507 750 K N -0.140 120.317 120.400 0.095 0.000 2.553 750 K HA 0.253 4.578 4.320 0.008 0.000 0.205 750 K C -0.536 176.104 176.600 0.067 0.000 1.168 750 K CA -0.156 56.186 56.287 0.091 0.000 1.043 750 K CB 0.718 33.287 32.500 0.115 0.000 0.967 750 K HN 0.014 nan 8.250 nan 0.000 0.585 751 R N -0.466 120.075 120.500 0.067 0.000 3.656 751 R HA -0.124 4.220 4.340 0.008 0.000 0.297 751 R C 0.269 176.606 176.300 0.062 0.000 1.166 751 R CA 0.580 56.717 56.100 0.061 0.000 0.799 751 R CB -2.282 28.051 30.300 0.054 0.000 1.285 751 R HN 0.314 nan 8.270 nan 0.000 0.477 752 G N 0.730 109.571 108.800 0.068 0.000 2.503 752 G HA2 0.270 4.235 3.960 0.008 0.000 0.257 752 G HA3 0.270 4.235 3.960 0.008 0.000 0.257 752 G C -0.414 174.541 174.900 0.092 0.000 1.214 752 G CA -0.286 44.855 45.100 0.069 0.000 0.839 752 G HN 0.181 nan 8.290 nan 0.000 0.559 753 Q N 1.406 121.273 119.800 0.111 0.000 2.347 753 Q HA 0.387 4.732 4.340 0.008 0.000 0.265 753 Q C -0.841 175.191 176.000 0.053 0.000 1.024 753 Q CA -0.662 55.213 55.803 0.120 0.000 0.731 753 Q CB 1.750 30.611 28.738 0.206 0.000 1.245 753 Q HN 0.350 nan 8.270 nan 0.000 0.472 754 V N 4.802 124.751 119.914 0.057 0.000 2.493 754 V HA -0.020 4.105 4.120 0.008 0.000 0.292 754 V C 1.011 177.080 176.094 -0.041 0.000 1.016 754 V CA 0.244 62.562 62.300 0.030 0.000 1.097 754 V CB 0.926 32.837 31.823 0.148 0.000 0.947 754 V HN 0.776 nan 8.190 nan 0.000 0.479 755 V N 3.238 123.062 119.914 -0.151 0.000 2.795 755 V HA 0.150 4.274 4.120 0.008 0.000 0.243 755 V C 0.728 176.769 176.094 -0.088 0.000 1.069 755 V CA 1.274 63.463 62.300 -0.185 0.000 1.089 755 V CB 0.452 32.020 31.823 -0.424 0.000 0.756 755 V HN 1.031 nan 8.190 nan 0.000 0.471 756 S N -0.746 114.917 115.700 -0.061 0.000 2.580 756 S HA 0.494 4.969 4.470 0.008 0.000 0.281 756 S C -1.359 173.252 174.600 0.018 0.000 1.129 756 S CA -0.751 57.441 58.200 -0.013 0.000 0.862 756 S CB 2.417 65.606 63.200 -0.018 0.000 1.090 756 S HN 0.292 nan 8.310 nan 0.000 0.451 757 E N 0.918 121.150 120.200 0.053 0.000 2.260 757 E HA 0.459 4.813 4.350 0.008 0.000 0.266 757 E C -1.256 175.443 176.600 0.166 0.000 0.887 757 E CA -0.353 56.099 56.400 0.086 0.000 0.777 757 E CB 1.644 31.382 29.700 0.063 0.000 1.205 757 E HN 0.762 nan 8.360 nan 0.000 0.414 758 E N 2.362 122.713 120.200 0.252 0.000 2.423 758 E HA 0.323 4.678 4.350 0.008 0.000 0.269 758 E C -0.982 175.843 176.600 0.374 0.000 0.948 758 E CA -0.936 55.633 56.400 0.281 0.000 0.802 758 E CB 2.542 32.320 29.700 0.131 0.000 1.339 758 E HN 0.412 nan 8.360 nan 0.000 0.445 759 Q N 1.042 120.894 119.800 0.088 0.000 2.394 759 Q HA 0.334 4.679 4.340 0.008 0.000 0.273 759 Q C -1.132 174.791 176.000 -0.128 0.000 1.089 759 Q CA -0.802 54.855 55.803 -0.244 0.000 0.812 759 Q CB 2.129 30.469 28.738 -0.664 0.000 1.353 759 Q HN 0.385 nan 8.270 nan 0.000 0.438 760 R N 4.296 124.719 120.500 -0.127 0.000 2.242 760 R HA 0.167 4.512 4.340 0.008 0.000 0.334 760 R C -1.901 174.346 176.300 -0.087 0.000 1.071 760 R CA -1.315 54.746 56.100 -0.064 0.000 0.922 760 R CB 0.414 30.701 30.300 -0.022 0.000 1.023 760 R HN 0.554 nan 8.270 nan 0.000 0.458 761 P HA -0.329 nan 4.420 nan 0.000 0.225 761 P C 0.899 178.151 177.300 -0.080 0.000 0.810 761 P CA 2.359 65.419 63.100 -0.065 0.000 1.060 761 P CB -0.043 31.631 31.700 -0.043 0.000 0.728 762 G N -1.862 106.897 108.800 -0.069 0.000 2.575 762 G HA2 -0.159 3.806 3.960 0.008 0.000 0.215 762 G HA3 -0.159 3.806 3.960 0.008 0.000 0.215 762 G C 0.561 175.394 174.900 -0.112 0.000 1.262 762 G CA 1.974 47.025 45.100 -0.081 0.000 0.807 762 G HN 0.590 nan 8.290 nan 0.000 0.567 763 T N -0.187 114.298 114.554 -0.115 0.000 2.663 763 T HA 0.295 4.650 4.350 0.008 0.000 0.325 763 T C -1.836 172.772 174.700 -0.154 0.000 1.059 763 T CA -0.444 61.556 62.100 -0.167 0.000 1.039 763 T CB 1.292 70.098 68.868 -0.104 0.000 0.996 763 T HN 0.181 nan 8.240 nan 0.000 0.539 764 P HA 0.308 nan 4.420 nan 0.000 0.231 764 P C -0.794 176.513 177.300 0.011 0.000 1.833 764 P CA -0.373 62.667 63.100 -0.100 0.000 1.023 764 P CB -0.223 31.436 31.700 -0.067 0.000 1.643 765 L N 0.917 122.150 121.223 0.017 0.000 2.283 765 L HA 0.489 4.833 4.340 0.008 0.000 0.281 765 L C -0.576 176.302 176.870 0.014 0.000 1.033 765 L CA -0.864 54.038 54.840 0.103 0.000 0.848 765 L CB -0.030 42.143 42.059 0.190 0.000 1.226 765 L HN -0.200 nan 8.230 nan 0.000 0.429 766 F N 2.343 122.332 119.950 0.066 0.000 2.378 766 F HA 0.534 5.065 4.527 0.007 0.000 0.319 766 F C 1.002 176.819 175.800 0.028 0.000 1.155 766 F CA -0.049 57.978 58.000 0.046 0.000 1.157 766 F CB 1.576 40.606 39.000 0.050 0.000 1.252 766 F HN 0.414 nan 8.300 nan 0.000 0.550 767 T N 2.531 117.259 114.554 0.290 0.000 3.089 767 T HA 0.512 4.867 4.350 0.008 0.000 0.340 767 T C -1.424 173.330 174.700 0.091 0.000 1.008 767 T CA -0.542 61.641 62.100 0.138 0.000 1.096 767 T CB -0.173 68.753 68.868 0.096 0.000 1.024 767 T HN 0.280 nan 8.240 nan 0.000 0.477 768 V N 5.721 125.646 119.914 0.017 0.000 2.546 768 V HA 0.523 4.647 4.120 0.008 0.000 0.284 768 V C 0.266 176.321 176.094 -0.064 0.000 1.050 768 V CA -0.507 61.762 62.300 -0.051 0.000 0.981 768 V CB 1.390 33.097 31.823 -0.194 0.000 0.990 768 V HN 0.729 nan 8.190 nan 0.000 0.474 769 K N 3.153 123.511 120.400 -0.071 0.000 2.345 769 K HA 0.852 5.177 4.320 0.008 0.000 0.255 769 K C -0.538 175.959 176.600 -0.172 0.000 0.934 769 K CA -0.344 55.874 56.287 -0.115 0.000 0.801 769 K CB 2.257 34.688 32.500 -0.116 0.000 1.137 769 K HN 0.857 nan 8.250 nan 0.000 0.424 770 A N 2.084 124.781 122.820 -0.207 0.000 2.588 770 A HA 0.620 4.945 4.320 0.008 0.000 0.290 770 A C -1.993 175.441 177.584 -0.249 0.000 1.136 770 A CA -0.706 51.185 52.037 -0.244 0.000 0.681 770 A CB 0.744 19.687 19.000 -0.095 0.000 1.282 770 A HN 0.527 nan 8.150 nan 0.000 0.421 771 Y N -0.301 119.992 120.300 -0.012 0.000 2.328 771 Y HA 0.616 5.171 4.550 0.008 0.000 0.337 771 Y C -0.270 175.593 175.900 -0.061 0.000 1.008 771 Y CA -0.819 57.268 58.100 -0.022 0.000 1.129 771 Y CB 1.675 40.156 38.460 0.036 0.000 1.185 771 Y HN 0.526 nan 8.280 nan 0.000 0.476 772 L N 7.074 128.342 121.223 0.075 0.000 2.343 772 L HA 0.645 4.990 4.340 0.008 0.000 0.278 772 L C -2.842 173.991 176.870 -0.062 0.000 0.996 772 L CA -2.548 52.262 54.840 -0.049 0.000 0.831 772 L CB 1.811 43.723 42.059 -0.246 0.000 1.232 772 L HN 0.295 nan 8.230 nan 0.000 0.413 773 P HA 0.037 nan 4.420 nan 0.000 0.261 773 P C 1.042 178.221 177.300 -0.201 0.000 1.203 773 P CA 0.003 63.012 63.100 -0.152 0.000 0.767 773 P CB 0.743 32.405 31.700 -0.064 0.000 0.785 774 V N 3.784 123.453 119.914 -0.409 0.000 2.317 774 V HA -0.297 3.827 4.120 0.008 0.000 0.251 774 V C 2.045 177.947 176.094 -0.319 0.000 1.065 774 V CA 2.351 64.337 62.300 -0.523 0.000 1.049 774 V CB -1.093 30.238 31.823 -0.819 0.000 0.651 774 V HN 0.718 nan 8.190 nan 0.000 0.450 775 N N -0.004 118.587 118.700 -0.182 0.000 2.567 775 N HA -0.138 4.606 4.740 0.008 0.000 0.195 775 N C 1.096 176.669 175.510 0.105 0.000 1.242 775 N CA 0.889 53.953 53.050 0.025 0.000 0.884 775 N CB 0.041 38.609 38.487 0.134 0.000 1.007 775 N HN 0.580 nan 8.380 nan 0.000 0.450 776 E N -0.376 119.825 120.200 0.003 0.000 2.641 776 E HA 0.048 4.403 4.350 0.008 0.000 0.224 776 E C 0.402 177.017 176.600 0.025 0.000 0.951 776 E CA 0.092 56.529 56.400 0.062 0.000 1.102 776 E CB 0.603 30.328 29.700 0.040 0.000 1.091 776 E HN 0.462 nan 8.360 nan 0.000 0.507 777 S N -0.186 115.450 115.700 -0.108 0.000 2.605 777 S HA 0.160 4.634 4.470 0.008 0.000 0.217 777 S C 0.460 175.010 174.600 -0.084 0.000 0.958 777 S CA -0.471 57.653 58.200 -0.126 0.000 0.919 777 S CB -0.532 62.604 63.200 -0.107 0.000 0.780 777 S HN -0.052 nan 8.310 nan 0.000 0.507 778 F N 2.898 122.917 119.950 0.115 0.000 2.506 778 F HA 0.491 5.023 4.527 0.008 0.000 0.371 778 F C 1.702 177.565 175.800 0.104 0.000 1.078 778 F CA 0.423 58.482 58.000 0.098 0.000 1.195 778 F CB 0.107 39.151 39.000 0.072 0.000 1.099 778 F HN 0.326 nan 8.300 nan 0.000 0.548 779 G N 3.276 112.234 108.800 0.264 0.000 2.160 779 G HA2 -0.394 3.570 3.960 0.008 0.000 0.251 779 G HA3 -0.394 3.570 3.960 0.008 0.000 0.251 779 G C 0.931 175.919 174.900 0.148 0.000 1.008 779 G CA 0.392 45.590 45.100 0.163 0.000 0.724 779 G HN 0.664 nan 8.290 nan 0.000 0.514 780 F N 2.189 122.141 119.950 0.003 0.000 2.069 780 F HA -0.145 4.388 4.527 0.009 0.000 0.298 780 F C 2.885 178.658 175.800 -0.045 0.000 1.113 780 F CA 3.228 61.212 58.000 -0.028 0.000 1.214 780 F CB -0.772 38.188 39.000 -0.066 0.000 0.978 780 F HN 0.387 nan 8.300 nan 0.000 0.474 781 T N -1.818 112.691 114.554 -0.074 0.000 2.720 781 T HA -0.148 4.207 4.350 0.008 0.000 0.268 781 T C 2.336 176.924 174.700 -0.187 0.000 1.037 781 T CA 1.412 63.385 62.100 -0.212 0.000 1.144 781 T CB -1.779 67.031 68.868 -0.095 0.000 0.864 781 T HN 0.364 nan 8.240 nan 0.000 0.444 782 G N 1.426 110.170 108.800 -0.094 0.000 2.476 782 G HA2 -0.213 3.752 3.960 0.008 0.000 0.218 782 G HA3 -0.213 3.752 3.960 0.008 0.000 0.218 782 G C 1.562 176.409 174.900 -0.088 0.000 1.164 782 G CA 0.915 45.977 45.100 -0.064 0.000 0.768 782 G HN 0.669 nan 8.290 nan 0.000 0.560 783 E N -0.378 119.753 120.200 -0.115 0.000 2.107 783 E HA -0.030 4.325 4.350 0.008 0.000 0.191 783 E C 2.373 178.859 176.600 -0.191 0.000 0.982 783 E CA 0.443 56.773 56.400 -0.115 0.000 0.809 783 E CB -0.147 29.510 29.700 -0.072 0.000 0.756 783 E HN 0.332 nan 8.360 nan 0.000 0.459 784 L N 1.453 122.461 121.223 -0.358 0.000 2.131 784 L HA -0.138 4.207 4.340 0.008 0.000 0.210 784 L C 2.282 179.027 176.870 -0.208 0.000 1.092 784 L CA 1.506 56.116 54.840 -0.382 0.000 0.759 784 L CB -0.337 41.332 42.059 -0.650 0.000 0.903 784 L HN -0.090 nan 8.230 nan 0.000 0.435 785 R N -0.412 119.992 120.500 -0.161 0.000 2.096 785 R HA -0.253 4.091 4.340 0.008 0.000 0.229 785 R C 2.424 178.689 176.300 -0.058 0.000 1.134 785 R CA 2.264 58.315 56.100 -0.081 0.000 0.917 785 R CB -0.678 29.594 30.300 -0.046 0.000 0.832 785 R HN 0.560 nan 8.270 nan 0.000 0.430 786 Q N -0.375 119.394 119.800 -0.051 0.000 2.062 786 Q HA -0.264 4.081 4.340 0.008 0.000 0.209 786 Q C 1.930 177.910 176.000 -0.033 0.000 0.996 786 Q CA 2.534 58.319 55.803 -0.031 0.000 0.859 786 Q CB -0.414 28.309 28.738 -0.024 0.000 0.920 786 Q HN 0.500 nan 8.270 nan 0.000 0.415 787 A N 0.132 122.921 122.820 -0.052 0.000 1.852 787 A HA -0.237 4.087 4.320 0.008 0.000 0.217 787 A C 2.062 179.626 177.584 -0.034 0.000 1.215 787 A CA 2.494 54.504 52.037 -0.045 0.000 0.641 787 A CB -1.484 17.474 19.000 -0.070 0.000 0.838 787 A HN 0.667 nan 8.150 nan 0.000 0.450 788 T N -3.247 111.278 114.554 -0.048 0.000 3.332 788 T HA 0.439 4.794 4.350 0.008 0.000 0.246 788 T C 1.070 175.763 174.700 -0.011 0.000 0.943 788 T CA 0.798 62.881 62.100 -0.028 0.000 0.922 788 T CB -0.619 68.226 68.868 -0.039 0.000 1.086 788 T HN 1.802 nan 8.240 nan 0.000 0.590 789 G N 0.878 109.673 108.800 -0.008 0.000 2.337 789 G HA2 -0.058 3.907 3.960 0.008 0.000 0.290 789 G HA3 -0.058 3.907 3.960 0.008 0.000 0.290 789 G C 1.176 176.078 174.900 0.003 0.000 1.003 789 G CA 0.345 45.446 45.100 0.002 0.000 0.825 789 G HN 1.888 nan 8.290 nan 0.000 0.509 790 G N -1.843 106.954 108.800 -0.005 0.000 2.168 790 G HA2 -0.344 3.621 3.960 0.008 0.000 0.263 790 G HA3 -0.344 3.621 3.960 0.008 0.000 0.263 790 G C 1.021 175.929 174.900 0.014 0.000 0.977 790 G CA 1.217 46.319 45.100 0.004 0.000 0.659 790 G HN 0.757 nan 8.290 nan 0.000 0.533 791 Q N -0.401 119.405 119.800 0.011 0.000 2.432 791 Q HA 0.356 4.700 4.340 0.008 0.000 0.205 791 Q C 1.648 177.665 176.000 0.028 0.000 0.945 791 Q CA 0.907 56.719 55.803 0.014 0.000 0.924 791 Q CB 0.317 29.067 28.738 0.020 0.000 1.016 791 Q HN 0.924 nan 8.270 nan 0.000 0.503 792 A N 0.894 123.729 122.820 0.026 0.000 2.388 792 A HA 0.339 4.664 4.320 0.008 0.000 0.257 792 A C -0.903 176.750 177.584 0.116 0.000 1.095 792 A CA -0.145 51.915 52.037 0.039 0.000 0.791 792 A CB 0.064 19.046 19.000 -0.029 0.000 1.029 792 A HN 0.195 nan 8.150 nan 0.000 0.489 793 F N 4.413 124.329 119.950 -0.056 0.000 2.434 793 F HA 0.506 5.037 4.527 0.008 0.000 0.367 793 F C -2.530 173.247 175.800 -0.038 0.000 1.093 793 F CA -2.717 55.254 58.000 -0.048 0.000 1.085 793 F CB 1.795 40.763 39.000 -0.053 0.000 1.322 793 F HN 0.303 nan 8.300 nan 0.000 0.452 794 P HA 0.322 nan 4.420 nan 0.000 0.276 794 P C -1.593 175.458 177.300 -0.415 0.000 1.244 794 P CA -0.316 62.608 63.100 -0.293 0.000 0.801 794 P CB 0.834 32.438 31.700 -0.159 0.000 1.006 795 Q N 1.008 120.658 119.800 -0.250 0.000 2.567 795 Q HA 0.416 4.760 4.340 0.008 0.000 0.233 795 Q C -1.257 174.621 176.000 -0.203 0.000 0.833 795 Q CA -0.213 55.450 55.803 -0.233 0.000 0.844 795 Q CB 0.758 29.394 28.738 -0.170 0.000 1.423 795 Q HN 0.455 nan 8.270 nan 0.000 0.442 796 M N 0.782 120.225 119.600 -0.262 0.000 2.464 796 M HA 0.894 5.379 4.480 0.008 0.000 0.308 796 M C -1.681 174.437 176.300 -0.303 0.000 1.127 796 M CA -0.993 54.114 55.300 -0.320 0.000 0.913 796 M CB 2.335 34.614 32.600 -0.535 0.000 1.689 796 M HN 0.271 nan 8.290 nan 0.000 0.445 797 V N 2.813 122.654 119.914 -0.122 0.000 3.114 797 V HA 0.599 4.723 4.120 0.008 0.000 0.308 797 V C -1.468 174.828 176.094 0.337 0.000 1.168 797 V CA -0.748 61.601 62.300 0.081 0.000 1.015 797 V CB 2.539 34.389 31.823 0.046 0.000 1.050 797 V HN 0.857 nan 8.190 nan 0.000 0.433 798 F N 3.378 123.468 119.950 0.233 0.000 2.572 798 F HA 0.291 4.823 4.527 0.008 0.000 0.370 798 F C 0.747 176.530 175.800 -0.028 0.000 1.103 798 F CA 0.952 58.968 58.000 0.027 0.000 1.286 798 F CB 1.156 40.076 39.000 -0.134 0.000 1.105 798 F HN 0.781 nan 8.300 nan 0.000 0.583 799 D N 1.853 121.655 120.400 -0.996 0.000 2.766 799 D HA 0.120 4.765 4.640 0.008 0.000 0.284 799 D C -0.738 175.053 176.300 -0.850 0.000 1.050 799 D CA 0.992 54.609 54.000 -0.639 0.000 0.945 799 D CB 0.277 40.993 40.800 -0.140 0.000 1.272 799 D HN 0.757 nan 8.370 nan 0.000 0.482 800 H N -4.136 114.133 119.070 -1.334 0.000 2.967 800 H HA 0.464 5.024 4.556 0.008 0.000 0.318 800 H C -1.798 173.132 175.328 -0.663 0.000 1.375 800 H CA -1.284 54.277 56.048 -0.812 0.000 1.132 800 H CB 0.033 29.544 29.762 -0.418 0.000 1.848 800 H HN -0.084 nan 8.280 nan 0.000 0.524 801 W N 0.916 122.234 121.300 0.030 0.000 2.433 801 W HA 0.594 5.259 4.660 0.008 0.000 0.315 801 W C -0.006 176.561 176.519 0.081 0.000 1.087 801 W CA -0.781 56.602 57.345 0.063 0.000 1.205 801 W CB 2.176 31.723 29.460 0.146 0.000 1.288 801 W HN 0.590 nan 8.180 nan 0.000 0.504 802 S N 2.137 117.987 115.700 0.251 0.000 2.456 802 S HA 0.409 4.884 4.470 0.008 0.000 0.316 802 S C -0.263 174.460 174.600 0.205 0.000 1.089 802 S CA -0.534 57.782 58.200 0.195 0.000 1.101 802 S CB 0.515 63.771 63.200 0.093 0.000 0.995 802 S HN 0.325 nan 8.310 nan 0.000 0.468 803 T N 6.831 121.486 114.554 0.168 0.000 2.738 803 T HA 0.264 4.619 4.350 0.008 0.000 0.293 803 T C 0.337 175.104 174.700 0.111 0.000 0.913 803 T CA -0.242 61.943 62.100 0.141 0.000 1.103 803 T CB -0.243 68.688 68.868 0.105 0.000 0.880 803 T HN 0.532 nan 8.240 nan 0.000 0.526 804 L N 2.647 123.940 121.223 0.117 0.000 2.461 804 L HA 0.237 4.582 4.340 0.008 0.000 0.272 804 L C 1.842 178.746 176.870 0.056 0.000 1.197 804 L CA -0.307 54.584 54.840 0.085 0.000 0.836 804 L CB 0.082 42.190 42.059 0.082 0.000 1.105 804 L HN 0.760 nan 8.230 nan 0.000 0.477 805 G N 1.329 110.154 108.800 0.042 0.000 2.395 805 G HA2 -0.123 3.841 3.960 0.008 0.000 0.214 805 G HA3 -0.123 3.841 3.960 0.008 0.000 0.214 805 G C 0.848 175.759 174.900 0.017 0.000 1.177 805 G CA 0.440 45.557 45.100 0.028 0.000 0.794 805 G HN 0.715 nan 8.290 nan 0.000 0.532 806 S N 0.477 116.185 115.700 0.013 0.000 2.549 806 S HA 0.068 4.543 4.470 0.008 0.000 0.278 806 S C -0.249 174.348 174.600 -0.004 0.000 1.344 806 S CA -0.128 58.073 58.200 0.002 0.000 1.025 806 S CB 1.006 64.203 63.200 -0.004 0.000 0.851 806 S HN 0.209 nan 8.310 nan 0.000 0.530 807 D N 1.743 122.137 120.400 -0.010 0.000 2.339 807 D HA 0.294 4.939 4.640 0.008 0.000 0.241 807 D C -0.956 175.329 176.300 -0.025 0.000 1.183 807 D CA -2.443 51.550 54.000 -0.011 0.000 0.859 807 D CB 1.108 41.904 40.800 -0.006 0.000 1.067 807 D HN 0.265 nan 8.370 nan 0.000 0.484 808 P HA -0.149 nan 4.420 nan 0.000 0.221 808 P C 1.386 178.654 177.300 -0.053 0.000 1.145 808 P CA 0.821 63.881 63.100 -0.067 0.000 0.795 808 P CB 0.330 32.006 31.700 -0.040 0.000 0.775 809 L N -0.656 120.559 121.223 -0.012 0.000 2.313 809 L HA 0.047 4.392 4.340 0.008 0.000 0.214 809 L C 1.140 178.005 176.870 -0.008 0.000 1.119 809 L CA 0.518 55.360 54.840 0.003 0.000 0.809 809 L CB -0.870 41.208 42.059 0.031 0.000 0.933 809 L HN -0.021 nan 8.230 nan 0.000 0.449 810 D N 0.640 121.030 120.400 -0.017 0.000 2.411 810 D HA 0.137 4.782 4.640 0.008 0.000 0.225 810 D C -1.653 174.628 176.300 -0.031 0.000 1.156 810 D CA -2.201 51.789 54.000 -0.017 0.000 0.874 810 D CB 1.427 42.220 40.800 -0.012 0.000 1.034 810 D HN -0.186 nan 8.370 nan 0.000 0.502 811 P HA -0.186 nan 4.420 nan 0.000 0.218 811 P C 1.014 178.292 177.300 -0.036 0.000 1.154 811 P CA 1.472 64.549 63.100 -0.038 0.000 0.872 811 P CB 0.244 31.929 31.700 -0.026 0.000 0.790 812 T N -1.255 113.284 114.554 -0.025 0.000 3.043 812 T HA -0.014 4.341 4.350 0.008 0.000 0.263 812 T C 1.117 175.804 174.700 -0.021 0.000 1.094 812 T CA 0.668 62.756 62.100 -0.020 0.000 1.127 812 T CB -0.538 68.323 68.868 -0.012 0.000 0.905 812 T HN 0.284 nan 8.240 nan 0.000 0.490 813 S N 1.011 116.697 115.700 -0.024 0.000 2.611 813 S HA 0.092 4.567 4.470 0.008 0.000 0.252 813 S C 1.301 175.883 174.600 -0.030 0.000 1.369 813 S CA -0.204 57.982 58.200 -0.022 0.000 0.975 813 S CB 0.718 63.903 63.200 -0.024 0.000 0.937 813 S HN 0.271 nan 8.310 nan 0.000 0.584 814 K N 0.062 120.448 120.400 -0.023 0.000 2.076 814 K HA 0.058 4.382 4.320 0.008 0.000 0.204 814 K C 2.362 178.930 176.600 -0.053 0.000 1.051 814 K CA 0.983 57.256 56.287 -0.022 0.000 0.949 814 K CB -0.707 31.794 32.500 0.001 0.000 0.726 814 K HN 0.722 nan 8.250 nan 0.000 0.443 815 A N 0.580 123.362 122.820 -0.064 0.000 1.897 815 A HA -0.014 4.311 4.320 0.008 0.000 0.215 815 A C 2.301 179.770 177.584 -0.191 0.000 1.181 815 A CA 1.615 53.578 52.037 -0.124 0.000 0.620 815 A CB -1.073 17.874 19.000 -0.088 0.000 0.821 815 A HN 0.472 nan 8.150 nan 0.000 0.443 816 G N -0.362 108.357 108.800 -0.135 0.000 2.462 816 G HA2 -0.280 3.685 3.960 0.008 0.000 0.220 816 G HA3 -0.280 3.685 3.960 0.008 0.000 0.220 816 G C 1.418 176.226 174.900 -0.153 0.000 1.121 816 G CA 1.240 46.254 45.100 -0.144 0.000 0.758 816 G HN 0.690 nan 8.290 nan 0.000 0.559 817 E N 0.038 120.165 120.200 -0.122 0.000 2.047 817 E HA -0.085 4.270 4.350 0.008 0.000 0.191 817 E C 2.472 178.985 176.600 -0.145 0.000 0.987 817 E CA 0.719 57.058 56.400 -0.100 0.000 0.799 817 E CB -0.192 29.472 29.700 -0.061 0.000 0.752 817 E HN 0.508 nan 8.360 nan 0.000 0.449 818 I N 0.454 120.903 120.570 -0.203 0.000 2.127 818 I HA -0.296 3.879 4.170 0.008 0.000 0.241 818 I C 2.404 178.271 176.117 -0.417 0.000 1.075 818 I CA 0.946 62.074 61.300 -0.287 0.000 1.334 818 I CB -0.329 37.409 38.000 -0.436 0.000 1.040 818 I HN 0.090 nan 8.210 nan 0.000 0.405 819 V N 0.843 120.400 119.914 -0.594 0.000 2.287 819 V HA -0.307 3.818 4.120 0.008 0.000 0.248 819 V C 2.435 178.341 176.094 -0.314 0.000 1.053 819 V CA 2.020 63.872 62.300 -0.748 0.000 1.027 819 V CB -0.708 30.739 31.823 -0.625 0.000 0.646 819 V HN 0.384 nan 8.190 nan 0.000 0.447 820 L N 0.909 122.016 121.223 -0.193 0.000 1.989 820 L HA -0.144 4.200 4.340 0.008 0.000 0.211 820 L C 2.472 179.308 176.870 -0.057 0.000 1.071 820 L CA 2.549 57.335 54.840 -0.090 0.000 0.749 820 L CB -1.050 40.967 42.059 -0.069 0.000 0.890 820 L HN 0.222 nan 8.230 nan 0.000 0.431 821 A N -0.400 122.379 122.820 -0.070 0.000 1.883 821 A HA -0.166 4.158 4.320 0.008 0.000 0.217 821 A C 2.472 180.044 177.584 -0.020 0.000 1.186 821 A CA 2.302 54.315 52.037 -0.040 0.000 0.624 821 A CB -1.382 17.595 19.000 -0.039 0.000 0.822 821 A HN 0.644 nan 8.150 nan 0.000 0.444 822 A N -0.009 122.811 122.820 0.000 0.000 1.865 822 A HA -0.211 4.114 4.320 0.008 0.000 0.217 822 A C 2.235 179.901 177.584 0.136 0.000 1.191 822 A CA 1.667 53.765 52.037 0.102 0.000 0.623 822 A CB -0.581 18.648 19.000 0.382 0.000 0.826 822 A HN 0.588 nan 8.150 nan 0.000 0.444 823 R N -0.105 120.491 120.500 0.161 0.000 2.096 823 R HA -0.180 4.164 4.340 0.008 0.000 0.240 823 R C 2.237 178.605 176.300 0.113 0.000 1.139 823 R CA 1.786 57.992 56.100 0.175 0.000 0.952 823 R CB -0.462 29.902 30.300 0.107 0.000 0.854 823 R HN 0.537 nan 8.270 nan 0.000 0.436 824 K N 0.454 120.883 120.400 0.049 0.000 2.026 824 K HA -0.170 4.155 4.320 0.008 0.000 0.208 824 K C 2.259 178.867 176.600 0.013 0.000 1.048 824 K CA 1.301 57.604 56.287 0.026 0.000 0.929 824 K CB -0.221 32.281 32.500 0.003 0.000 0.713 824 K HN 0.096 nan 8.250 nan 0.000 0.439 825 R N 0.564 121.044 120.500 -0.033 0.000 2.103 825 R HA -0.172 4.173 4.340 0.008 0.000 0.242 825 R C 1.742 177.989 176.300 -0.089 0.000 1.142 825 R CA 1.563 57.602 56.100 -0.102 0.000 0.960 825 R CB -0.114 30.064 30.300 -0.204 0.000 0.858 825 R HN 0.337 nan 8.270 nan 0.000 0.439 826 H N -0.930 118.171 119.070 0.052 0.000 2.547 826 H HA 0.131 4.692 4.556 0.008 0.000 0.266 826 H C 0.802 176.150 175.328 0.034 0.000 0.988 826 H CA 0.848 56.922 56.048 0.044 0.000 1.147 826 H CB 0.262 30.059 29.762 0.057 0.000 1.365 826 H HN 0.566 nan 8.280 nan 0.000 0.589 827 G N 1.491 110.365 108.800 0.122 0.000 2.305 827 G HA2 -0.311 3.654 3.960 0.008 0.000 0.287 827 G HA3 -0.311 3.654 3.960 0.008 0.000 0.287 827 G C 0.312 175.261 174.900 0.082 0.000 1.036 827 G CA 0.569 45.716 45.100 0.080 0.000 0.887 827 G HN 0.289 nan 8.290 nan 0.000 0.505 828 M N -1.264 118.397 119.600 0.102 0.000 2.527 828 M HA 0.466 4.951 4.480 0.008 0.000 0.283 828 M C 0.776 177.114 176.300 0.062 0.000 1.188 828 M CA -0.868 54.483 55.300 0.085 0.000 0.941 828 M CB 0.823 33.488 32.600 0.108 0.000 1.498 828 M HN 0.060 nan 8.290 nan 0.000 0.510 829 K N 1.155 121.586 120.400 0.052 0.000 2.447 829 K HA -0.038 4.286 4.320 0.008 0.000 0.281 829 K C 0.691 177.314 176.600 0.039 0.000 1.031 829 K CA 0.301 56.610 56.287 0.036 0.000 1.019 829 K CB 0.488 33.005 32.500 0.028 0.000 0.918 829 K HN 0.585 nan 8.250 nan 0.000 0.476 830 E N 2.213 122.429 120.200 0.027 0.000 2.187 830 E HA -0.216 4.139 4.350 0.008 0.000 0.199 830 E C -0.405 176.205 176.600 0.017 0.000 1.004 830 E CA 1.419 57.831 56.400 0.020 0.000 0.813 830 E CB 0.213 29.918 29.700 0.009 0.000 0.736 830 E HN 0.554 nan 8.360 nan 0.000 0.468 831 E N -0.618 119.593 120.200 0.019 0.000 2.248 831 E HA 0.221 4.576 4.350 0.008 0.000 0.272 831 E C -0.907 175.715 176.600 0.036 0.000 1.008 831 E CA -0.490 55.921 56.400 0.018 0.000 0.856 831 E CB 1.868 31.575 29.700 0.011 0.000 1.120 831 E HN -0.173 nan 8.360 nan 0.000 0.397 832 V N 3.339 123.278 119.914 0.042 0.000 2.488 832 V HA 0.204 4.329 4.120 0.008 0.000 0.277 832 V C -2.017 174.130 176.094 0.089 0.000 1.046 832 V CA -1.649 60.695 62.300 0.072 0.000 0.986 832 V CB 0.475 32.344 31.823 0.076 0.000 0.989 832 V HN 0.612 nan 8.190 nan 0.000 0.475 833 P HA 0.139 nan 4.420 nan 0.000 0.262 833 P C 0.446 177.851 177.300 0.176 0.000 1.182 833 P CA 0.461 63.641 63.100 0.134 0.000 0.761 833 P CB 0.421 32.268 31.700 0.245 0.000 0.795 834 G N 2.794 111.645 108.800 0.086 0.000 2.599 834 G HA2 0.075 4.040 3.960 0.008 0.000 0.264 834 G HA3 0.075 4.040 3.960 0.008 0.000 0.264 834 G C 0.867 175.873 174.900 0.176 0.000 1.200 834 G CA -0.635 44.526 45.100 0.102 0.000 0.896 834 G HN 0.704 nan 8.290 nan 0.000 0.536 835 W N -0.244 121.156 121.300 0.168 0.000 2.374 835 W HA -0.110 4.555 4.660 0.008 0.000 0.288 835 W C 1.511 178.167 176.519 0.228 0.000 1.218 835 W CA 0.895 58.386 57.345 0.242 0.000 1.245 835 W CB -0.779 28.775 29.460 0.157 0.000 1.126 835 W HN 0.500 nan 8.180 nan 0.000 0.545 836 Q N 1.326 120.670 119.800 -0.760 0.000 2.197 836 Q HA -0.206 4.138 4.340 0.008 0.000 0.207 836 Q C 2.012 177.888 176.000 -0.205 0.000 0.984 836 Q CA 2.653 58.062 55.803 -0.656 0.000 0.869 836 Q CB -0.589 27.692 28.738 -0.761 0.000 0.906 836 Q HN 0.491 nan 8.270 nan 0.000 0.426 837 E N -1.245 118.831 120.200 -0.207 0.000 2.204 837 E HA -0.164 4.191 4.350 0.008 0.000 0.194 837 E C 0.937 177.322 176.600 -0.358 0.000 0.989 837 E CA 0.950 57.145 56.400 -0.341 0.000 0.824 837 E CB 0.046 29.415 29.700 -0.552 0.000 0.756 837 E HN 0.549 nan 8.360 nan 0.000 0.477 838 Y N -1.879 118.509 120.300 0.146 0.000 2.462 838 Y HA 0.093 4.648 4.550 0.008 0.000 0.253 838 Y C 0.789 176.810 175.900 0.202 0.000 1.095 838 Y CA -0.508 57.700 58.100 0.179 0.000 1.283 838 Y CB 0.155 38.770 38.460 0.258 0.000 1.138 838 Y HN -0.021 nan 8.280 nan 0.000 0.522 839 Y N 1.903 122.348 120.300 0.243 0.000 2.296 839 Y HA 0.089 4.644 4.550 0.008 0.000 0.343 839 Y C 0.572 176.524 175.900 0.087 0.000 1.292 839 Y CA -0.907 57.322 58.100 0.215 0.000 1.490 839 Y CB 0.335 38.976 38.460 0.302 0.000 1.359 839 Y HN -0.043 nan 8.280 nan 0.000 0.599 840 D N 2.288 122.551 120.400 -0.229 0.000 2.488 840 D HA -0.011 4.633 4.640 0.008 0.000 0.238 840 D C -0.285 176.048 176.300 0.056 0.000 1.138 840 D CA 0.205 54.131 54.000 -0.122 0.000 0.873 840 D CB 0.683 41.337 40.800 -0.243 0.000 1.183 840 D HN 0.292 nan 8.370 nan 0.000 0.458 841 K N 3.602 124.012 120.400 0.016 0.000 3.233 841 K HA 0.075 4.400 4.320 0.008 0.000 0.283 841 K C -0.266 176.351 176.600 0.028 0.000 1.209 841 K CA -0.204 56.094 56.287 0.018 0.000 1.197 841 K CB -0.631 31.860 32.500 -0.015 0.000 1.431 841 K HN 0.340 nan 8.250 nan 0.000 0.326 842 L N 0.000 121.267 121.223 0.074 0.000 2.949 842 L HA 0.000 4.345 4.340 0.008 0.000 0.249 842 L CA 0.000 54.883 54.840 0.072 0.000 0.813 842 L CB 0.000 42.120 42.059 0.101 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502