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 2jlb_1_A DATA FIRST_RESID 21 DATA SEQUENCE QDFVAWLMLA DAELGMGDTT AGEMAVQRGL ALHPGHPEAV ARLGRVRWTQ DATA SEQUENCE QRHAEAAVLL QQASDAAPEH PGIALWLGHA LEDAGQAEAA AAAYTRAHQL DATA SEQUENCE LPEEPYITAQ LLNWRRRLCD WRALDVLSAQ VRAAVAQGVG AVEPFAFLSE DATA SEQUENCE DASAAEQLAC ARTRAQAIAA SVRPLAPTRV RSKGPLRVGF VSNGFGAHPT DATA SEQUENCE GLLTVALFEA LQRRQPDLQM HLFATSGDDG STLRTRLAQA STLHDVTALG DATA SEQUENCE HLATAKHIRH HGIDLLFDLR GWGGGGRPEV FALRPAPVQV NWLAYPGTSG DATA SEQUENCE APWMDYVLGD AFALPPALEP FYSEHVLRLQ GAFQPSDTSR VVAEPPSRTQ DATA SEQUENCE CGLPEQGVVL CCFNNSYKLN PQSMARMLAV LREVPDSVLW LLSGPGEADA DATA SEQUENCE RLRAFAHAQG VDAQRLVFMP KLPHPQYLAR YRHADLFLDT HPYNAHTTAS DATA SEQUENCE DALWTGCPVL TTPGETFAAR VAGSLNHHLG LDEMNVADDA AFVAKAVALA DATA SEQUENCE SDPAALTALH ARVDVLRRAS GVFHMDGFAD DFGALLQALA RRHGWLGI 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 21 Q HA 0.000 nan 4.340 nan 0.000 0.214 21 Q C 0.000 176.115 176.000 0.191 0.000 1.003 21 Q CA 0.000 55.923 55.803 0.199 0.000 1.022 21 Q CB 0.000 28.814 28.738 0.127 0.000 1.108 22 D N 0.466 120.979 120.400 0.188 0.000 2.420 22 D HA 0.180 4.683 4.640 -0.228 0.000 0.255 22 D C 0.482 176.919 176.300 0.228 0.000 1.185 22 D CA -0.423 53.649 54.000 0.120 0.000 0.904 22 D CB 0.465 41.237 40.800 -0.046 0.000 1.102 22 D HN 0.013 nan 8.370 nan 0.000 0.534 23 F N 3.825 123.877 119.950 0.169 0.000 2.011 23 F HA -0.285 4.108 4.527 -0.223 0.000 0.296 23 F C 1.848 177.713 175.800 0.109 0.000 1.144 23 F CA 1.735 59.836 58.000 0.169 0.000 1.185 23 F CB -0.519 38.480 39.000 -0.001 0.000 0.961 23 F HN 0.222 nan 8.300 nan 0.000 0.485 24 V N 1.165 120.957 119.914 -0.203 0.000 2.313 24 V HA -0.401 3.582 4.120 -0.228 0.000 0.253 24 V C 2.775 178.729 176.094 -0.234 0.000 1.070 24 V CA 2.157 64.278 62.300 -0.297 0.000 1.057 24 V CB -2.135 29.654 31.823 -0.057 0.000 0.653 24 V HN 0.595 nan 8.190 nan 0.000 0.450 25 A N -1.163 121.558 122.820 -0.165 0.000 1.933 25 A HA -0.231 3.952 4.320 -0.228 0.000 0.218 25 A C 1.935 179.397 177.584 -0.202 0.000 1.175 25 A CA 1.847 53.763 52.037 -0.202 0.000 0.628 25 A CB -0.824 18.014 19.000 -0.270 0.000 0.814 25 A HN 0.669 nan 8.150 nan 0.000 0.444 26 W N -0.143 121.062 121.300 -0.159 0.000 2.355 26 W HA -0.116 4.401 4.660 -0.238 0.000 0.309 26 W C 1.979 178.406 176.519 -0.153 0.000 1.206 26 W CA 1.119 58.386 57.345 -0.130 0.000 1.284 26 W CB -0.345 29.054 29.460 -0.102 0.000 1.145 26 W HN 0.268 nan 8.180 nan 0.000 0.502 27 L N -0.792 120.416 121.223 -0.026 0.000 2.109 27 L HA -0.181 4.022 4.340 -0.228 0.000 0.207 27 L C 2.400 179.250 176.870 -0.034 0.000 1.086 27 L CA 1.220 56.024 54.840 -0.061 0.000 0.760 27 L CB -0.988 40.968 42.059 -0.171 0.000 0.910 27 L HN -0.014 nan 8.230 nan 0.000 0.437 28 M N -0.926 118.634 119.600 -0.066 0.000 2.117 28 M HA -0.204 4.139 4.480 -0.228 0.000 0.262 28 M C 2.334 178.615 176.300 -0.032 0.000 1.065 28 M CA 1.746 57.018 55.300 -0.047 0.000 1.114 28 M CB -0.432 32.127 32.600 -0.070 0.000 1.361 28 M HN 0.254 nan 8.290 nan 0.000 0.408 29 L N 0.234 121.433 121.223 -0.040 0.000 2.179 29 L HA 0.026 4.229 4.340 -0.228 0.000 0.208 29 L C 2.560 179.445 176.870 0.024 0.000 1.096 29 L CA 1.199 56.023 54.840 -0.027 0.000 0.779 29 L CB -0.542 41.472 42.059 -0.075 0.000 0.922 29 L HN 0.177 nan 8.230 nan 0.000 0.443 30 A N -1.000 121.853 122.820 0.055 0.000 1.969 30 A HA -0.195 3.988 4.320 -0.228 0.000 0.218 30 A C 1.947 179.546 177.584 0.025 0.000 1.169 30 A CA 1.796 53.868 52.037 0.057 0.000 0.635 30 A CB -0.540 18.497 19.000 0.061 0.000 0.810 30 A HN 0.441 nan 8.150 nan 0.000 0.445 31 D N 0.043 120.454 120.400 0.019 0.000 2.183 31 D HA -0.001 4.502 4.640 -0.228 0.000 0.203 31 D C 2.183 178.494 176.300 0.019 0.000 0.969 31 D CA 1.296 55.309 54.000 0.022 0.000 0.842 31 D CB -0.280 40.541 40.800 0.035 0.000 0.957 31 D HN 0.429 nan 8.370 nan 0.000 0.484 32 A N 0.808 123.635 122.820 0.011 0.000 1.969 32 A HA -0.167 4.016 4.320 -0.228 0.000 0.218 32 A C 2.071 179.662 177.584 0.010 0.000 1.169 32 A CA 1.296 53.337 52.037 0.007 0.000 0.635 32 A CB -0.215 18.782 19.000 -0.005 0.000 0.810 32 A HN 0.020 nan 8.150 nan 0.000 0.445 33 E N 0.105 120.314 120.200 0.014 0.000 2.028 33 E HA -0.028 4.184 4.350 -0.228 0.000 0.190 33 E C 1.843 178.451 176.600 0.013 0.000 0.984 33 E CA 0.575 56.983 56.400 0.015 0.000 0.800 33 E CB -0.374 29.339 29.700 0.022 0.000 0.758 33 E HN 0.588 nan 8.360 nan 0.000 0.448 34 L N 0.045 121.275 121.223 0.011 0.000 1.967 34 L HA -0.287 3.916 4.340 -0.228 0.000 0.240 34 L C 2.371 179.254 176.870 0.022 0.000 1.091 34 L CA 1.634 56.481 54.840 0.012 0.000 0.836 34 L CB -1.475 40.584 42.059 0.000 0.000 0.912 34 L HN 0.395 nan 8.230 nan 0.000 0.433 35 G N 0.027 108.844 108.800 0.030 0.000 3.090 35 G HA2 -0.375 3.448 3.960 -0.228 0.000 0.252 35 G HA3 -0.375 3.448 3.960 -0.228 0.000 0.252 35 G C 1.163 176.080 174.900 0.029 0.000 1.064 35 G CA 1.878 46.998 45.100 0.034 0.000 0.723 35 G HN 0.372 nan 8.290 nan 0.000 0.673 36 M N 0.635 120.247 119.600 0.020 0.000 2.494 36 M HA 0.320 4.663 4.480 -0.228 0.000 0.232 36 M C 1.506 177.812 176.300 0.010 0.000 1.137 36 M CA -0.472 54.836 55.300 0.014 0.000 1.012 36 M CB -0.821 31.784 32.600 0.009 0.000 1.567 36 M HN 0.802 nan 8.290 nan 0.000 0.486 37 G N 1.965 110.772 108.800 0.012 0.000 2.401 37 G HA2 -0.202 3.621 3.960 -0.228 0.000 0.283 37 G HA3 -0.202 3.621 3.960 -0.228 0.000 0.283 37 G C -0.223 174.677 174.900 -0.002 0.000 1.117 37 G CA 0.169 45.271 45.100 0.004 0.000 1.051 37 G HN 0.436 nan 8.290 nan 0.000 0.510 38 D N 0.279 120.680 120.400 0.002 0.000 2.980 38 D HA 0.308 4.811 4.640 -0.228 0.000 0.333 38 D C 2.114 178.415 176.300 0.001 0.000 1.356 38 D CA 0.636 54.638 54.000 0.002 0.000 0.847 38 D CB -0.179 40.626 40.800 0.009 0.000 1.122 38 D HN 0.370 nan 8.370 nan 0.000 0.475 39 T N -2.814 111.736 114.554 -0.006 0.000 2.592 39 T HA -0.324 3.889 4.350 -0.228 0.000 0.267 39 T C 1.897 176.593 174.700 -0.006 0.000 1.060 39 T CA 2.301 64.395 62.100 -0.009 0.000 1.167 39 T CB -0.827 68.030 68.868 -0.019 0.000 0.863 39 T HN 0.216 nan 8.240 nan 0.000 0.431 40 T N 1.295 115.846 114.554 -0.005 0.000 2.777 40 T HA 0.120 4.333 4.350 -0.228 0.000 0.266 40 T C 2.158 176.862 174.700 0.006 0.000 1.040 40 T CA 1.573 63.671 62.100 -0.003 0.000 1.141 40 T CB -0.838 68.027 68.868 -0.005 0.000 0.868 40 T HN 0.586 nan 8.240 nan 0.000 0.444 41 A N -0.052 122.777 122.820 0.014 0.000 2.123 41 A HA 0.405 4.588 4.320 -0.228 0.000 0.214 41 A C 2.449 180.060 177.584 0.045 0.000 1.152 41 A CA 1.214 53.270 52.037 0.031 0.000 0.728 41 A CB -0.892 18.128 19.000 0.034 0.000 0.814 41 A HN 0.587 nan 8.150 nan 0.000 0.464 42 G N -0.516 108.301 108.800 0.029 0.000 2.430 42 G HA2 -0.156 3.667 3.960 -0.228 0.000 0.216 42 G HA3 -0.156 3.667 3.960 -0.228 0.000 0.216 42 G C 1.399 176.312 174.900 0.023 0.000 1.146 42 G CA 0.874 45.993 45.100 0.032 0.000 0.793 42 G HN 0.606 nan 8.290 nan 0.000 0.537 43 E N -0.279 119.924 120.200 0.005 0.000 2.107 43 E HA -0.050 4.162 4.350 -0.228 0.000 0.191 43 E C 2.301 178.887 176.600 -0.023 0.000 0.982 43 E CA 0.431 56.824 56.400 -0.012 0.000 0.809 43 E CB -0.181 29.509 29.700 -0.016 0.000 0.756 43 E HN 0.402 nan 8.360 nan 0.000 0.459 44 M N 0.238 119.831 119.600 -0.013 0.000 2.149 44 M HA -0.196 4.147 4.480 -0.228 0.000 0.261 44 M C 2.100 178.348 176.300 -0.086 0.000 1.064 44 M CA 1.739 57.016 55.300 -0.039 0.000 1.102 44 M CB -0.082 32.520 32.600 0.003 0.000 1.369 44 M HN 0.196 nan 8.290 nan 0.000 0.408 45 A N -0.703 122.134 122.820 0.028 0.000 1.897 45 A HA -0.065 4.117 4.320 -0.228 0.000 0.215 45 A C 1.988 179.571 177.584 -0.000 0.000 1.181 45 A CA 1.414 53.531 52.037 0.134 0.000 0.620 45 A CB -0.852 18.346 19.000 0.331 0.000 0.821 45 A HN 0.390 nan 8.150 nan 0.000 0.443 46 V N 0.144 120.056 119.914 -0.004 0.000 2.358 46 V HA -0.247 3.736 4.120 -0.228 0.000 0.246 46 V C 2.708 178.765 176.094 -0.063 0.000 1.047 46 V CA 1.941 64.231 62.300 -0.018 0.000 1.035 46 V CB -0.756 31.059 31.823 -0.013 0.000 0.658 46 V HN 0.522 nan 8.190 nan 0.000 0.452 47 Q N 0.028 119.771 119.800 -0.094 0.000 2.135 47 Q HA -0.178 4.025 4.340 -0.228 0.000 0.204 47 Q C 2.386 178.280 176.000 -0.177 0.000 0.981 47 Q CA 1.545 57.285 55.803 -0.106 0.000 0.856 47 Q CB -0.337 28.341 28.738 -0.100 0.000 0.902 47 Q HN 0.599 nan 8.270 nan 0.000 0.425 48 R N -0.631 119.660 120.500 -0.349 0.000 2.236 48 R HA -0.006 4.196 4.340 -0.228 0.000 0.208 48 R C 2.201 178.232 176.300 -0.449 0.000 1.036 48 R CA 0.758 56.526 56.100 -0.552 0.000 1.001 48 R CB -0.192 29.427 30.300 -1.136 0.000 0.896 48 R HN 0.261 nan 8.270 nan 0.000 0.464 49 G N 0.953 109.601 108.800 -0.253 0.000 2.403 49 G HA2 -0.182 3.641 3.960 -0.228 0.000 0.216 49 G HA3 -0.182 3.641 3.960 -0.228 0.000 0.216 49 G C 1.372 176.385 174.900 0.188 0.000 1.154 49 G CA 0.118 45.252 45.100 0.056 0.000 0.784 49 G HN 0.139 nan 8.290 nan 0.000 0.538 50 L N 0.615 121.884 121.223 0.077 0.000 2.376 50 L HA 0.083 4.285 4.340 -0.228 0.000 0.219 50 L C 3.031 179.929 176.870 0.045 0.000 1.133 50 L CA 0.598 55.493 54.840 0.090 0.000 0.816 50 L CB -0.058 42.029 42.059 0.047 0.000 0.933 50 L HN 0.328 nan 8.230 nan 0.000 0.449 51 A N -0.807 122.009 122.820 -0.008 0.000 2.208 51 A HA 0.065 4.248 4.320 -0.228 0.000 0.209 51 A C 2.028 179.606 177.584 -0.010 0.000 1.161 51 A CA 0.539 52.558 52.037 -0.031 0.000 0.782 51 A CB -0.048 18.904 19.000 -0.080 0.000 0.816 51 A HN 0.364 nan 8.150 nan 0.000 0.477 52 L N -1.818 119.436 121.223 0.052 0.000 2.269 52 L HA 0.165 4.368 4.340 -0.228 0.000 0.200 52 L C 0.528 177.356 176.870 -0.070 0.000 1.069 52 L CA 0.438 55.316 54.840 0.063 0.000 0.804 52 L CB -0.015 42.195 42.059 0.252 0.000 0.987 52 L HN 0.387 nan 8.230 nan 0.000 0.468 53 H N 0.514 119.517 119.070 -0.112 0.000 2.541 53 H HA 0.277 4.697 4.556 -0.227 0.000 0.246 53 H C -2.347 172.973 175.328 -0.014 0.000 1.341 53 H CA -1.874 54.078 56.048 -0.161 0.000 1.469 53 H CB 0.851 30.328 29.762 -0.474 0.000 1.472 53 H HN -0.016 nan 8.280 nan 0.000 0.503 54 P HA 0.069 nan 4.420 nan 0.000 0.271 54 P C 1.129 178.479 177.300 0.083 0.000 1.220 54 P CA 0.648 63.785 63.100 0.063 0.000 0.768 54 P CB 0.920 32.629 31.700 0.015 0.000 0.848 55 G N 1.584 110.440 108.800 0.094 0.000 2.179 55 G HA2 -0.276 3.547 3.960 -0.228 0.000 0.260 55 G HA3 -0.276 3.547 3.960 -0.228 0.000 0.260 55 G C 0.191 175.160 174.900 0.114 0.000 0.977 55 G CA 0.158 45.307 45.100 0.082 0.000 0.641 55 G HN 0.804 nan 8.290 nan 0.000 0.533 56 H N 1.836 120.953 119.070 0.078 0.000 2.955 56 H HA 0.413 4.830 4.556 -0.232 0.000 0.290 56 H C -0.578 174.812 175.328 0.103 0.000 1.047 56 H CA -0.657 55.448 56.048 0.094 0.000 1.484 56 H CB 1.006 30.833 29.762 0.109 0.000 1.501 56 H HN 0.072 nan 8.280 nan 0.000 0.521 57 P HA -0.240 nan 4.420 nan 0.000 0.218 57 P C 1.009 178.261 177.300 -0.080 0.000 1.152 57 P CA 1.416 64.414 63.100 -0.170 0.000 0.857 57 P CB 0.352 31.937 31.700 -0.192 0.000 0.787 58 E N -1.204 118.965 120.200 -0.051 0.000 2.152 58 E HA -0.045 4.167 4.350 -0.228 0.000 0.192 58 E C 1.953 178.699 176.600 0.244 0.000 0.983 58 E CA 1.201 57.722 56.400 0.201 0.000 0.818 58 E CB -0.450 29.495 29.700 0.409 0.000 0.758 58 E HN 0.219 nan 8.360 nan 0.000 0.467 59 A N 0.783 123.800 122.820 0.328 0.000 1.887 59 A HA -0.014 4.169 4.320 -0.228 0.000 0.212 59 A C 2.532 180.186 177.584 0.116 0.000 1.198 59 A CA 0.517 52.686 52.037 0.221 0.000 0.628 59 A CB -0.479 18.704 19.000 0.305 0.000 0.847 59 A HN 0.083 nan 8.150 nan 0.000 0.449 60 V N 0.421 120.400 119.914 0.109 0.000 2.332 60 V HA -0.302 3.681 4.120 -0.228 0.000 0.248 60 V C 3.047 179.150 176.094 0.016 0.000 1.055 60 V CA 2.067 64.398 62.300 0.051 0.000 1.038 60 V CB -1.221 30.626 31.823 0.040 0.000 0.651 60 V HN 0.595 nan 8.190 nan 0.000 0.450 61 A N -0.412 122.420 122.820 0.020 0.000 1.902 61 A HA -0.228 3.955 4.320 -0.228 0.000 0.217 61 A C 2.399 179.939 177.584 -0.074 0.000 1.181 61 A CA 1.860 53.901 52.037 0.006 0.000 0.623 61 A CB -0.493 18.553 19.000 0.077 0.000 0.818 61 A HN 0.491 nan 8.150 nan 0.000 0.443 62 R N -1.338 119.133 120.500 -0.048 0.000 2.092 62 R HA -0.069 4.134 4.340 -0.228 0.000 0.231 62 R C 2.064 178.290 176.300 -0.124 0.000 1.119 62 R CA 1.254 57.276 56.100 -0.130 0.000 0.970 62 R CB -0.443 29.831 30.300 -0.042 0.000 0.864 62 R HN 0.472 nan 8.270 nan 0.000 0.440 63 L N 0.334 121.523 121.223 -0.056 0.000 2.079 63 L HA -0.047 4.156 4.340 -0.228 0.000 0.210 63 L C 1.993 178.830 176.870 -0.056 0.000 1.081 63 L CA 2.010 56.824 54.840 -0.044 0.000 0.752 63 L CB -0.975 41.075 42.059 -0.014 0.000 0.896 63 L HN 0.188 nan 8.230 nan 0.000 0.433 64 G N -1.468 107.290 108.800 -0.069 0.000 2.443 64 G HA2 -0.269 3.554 3.960 -0.228 0.000 0.219 64 G HA3 -0.269 3.554 3.960 -0.228 0.000 0.219 64 G C 1.747 176.589 174.900 -0.096 0.000 1.131 64 G CA 0.592 45.656 45.100 -0.061 0.000 0.775 64 G HN 0.286 nan 8.290 nan 0.000 0.547 65 R N 0.277 120.645 120.500 -0.221 0.000 2.090 65 R HA 0.047 4.250 4.340 -0.228 0.000 0.228 65 R C 2.674 178.927 176.300 -0.078 0.000 1.110 65 R CA 1.022 56.939 56.100 -0.305 0.000 0.973 65 R CB -0.777 29.120 30.300 -0.672 0.000 0.869 65 R HN 0.245 nan 8.270 nan 0.000 0.440 66 V N 1.535 121.401 119.914 -0.079 0.000 2.221 66 V HA -0.352 3.630 4.120 -0.228 0.000 0.244 66 V C 2.266 178.361 176.094 0.001 0.000 1.043 66 V CA 2.173 64.455 62.300 -0.030 0.000 0.996 66 V CB -0.708 31.094 31.823 -0.034 0.000 0.636 66 V HN 0.289 nan 8.190 nan 0.000 0.454 67 R N -0.837 119.662 120.500 -0.001 0.000 2.208 67 R HA -0.301 3.902 4.340 -0.228 0.000 0.262 67 R C 1.979 178.278 176.300 -0.002 0.000 1.166 67 R CA 2.487 58.590 56.100 0.005 0.000 0.987 67 R CB -1.249 29.062 30.300 0.018 0.000 0.887 67 R HN 0.786 nan 8.270 nan 0.000 0.459 68 W N 1.618 122.812 121.300 -0.177 0.000 2.381 68 W HA -0.137 4.359 4.660 -0.273 0.000 0.301 68 W C 1.923 178.289 176.519 -0.255 0.000 1.205 68 W CA 1.832 59.015 57.345 -0.269 0.000 1.285 68 W CB -0.176 29.115 29.460 -0.282 0.000 1.133 68 W HN -0.024 nan 8.180 nan 0.000 0.521 69 T N 0.520 115.045 114.554 -0.049 0.000 2.896 69 T HA -0.187 4.026 4.350 -0.228 0.000 0.263 69 T C 1.456 176.027 174.700 -0.216 0.000 1.050 69 T CA 1.536 63.508 62.100 -0.213 0.000 1.140 69 T CB -0.327 68.546 68.868 0.008 0.000 0.877 69 T HN 0.281 nan 8.240 nan 0.000 0.457 70 Q N 1.084 120.810 119.800 -0.124 0.000 2.541 70 Q HA 0.019 4.222 4.340 -0.228 0.000 0.215 70 Q C 0.326 176.276 176.000 -0.084 0.000 0.977 70 Q CA 0.327 56.079 55.803 -0.085 0.000 0.934 70 Q CB -0.228 28.483 28.738 -0.045 0.000 0.988 70 Q HN 0.504 nan 8.270 nan 0.000 0.521 71 Q N -0.955 118.752 119.800 -0.156 0.000 2.506 71 Q HA -0.203 4.000 4.340 -0.228 0.000 0.268 71 Q C -0.507 175.628 176.000 0.225 0.000 1.002 71 Q CA 0.501 56.314 55.803 0.016 0.000 1.052 71 Q CB -1.423 27.348 28.738 0.054 0.000 1.383 71 Q HN 0.417 nan 8.270 nan 0.000 0.537 72 R N 0.479 121.025 120.500 0.077 0.000 4.518 72 R HA 0.144 4.347 4.340 -0.228 0.000 0.243 72 R C 1.117 177.498 176.300 0.135 0.000 1.720 72 R CA -0.158 55.999 56.100 0.095 0.000 1.526 72 R CB -0.040 30.282 30.300 0.036 0.000 1.425 72 R HN 0.352 nan 8.270 nan 0.000 0.787 73 H N -0.016 119.042 119.070 -0.019 0.000 2.460 73 H HA -0.203 4.230 4.556 -0.205 0.000 0.297 73 H C 1.768 177.139 175.328 0.072 0.000 1.103 73 H CA 1.401 57.474 56.048 0.041 0.000 1.292 73 H CB 0.351 30.126 29.762 0.021 0.000 1.376 73 H HN 0.477 nan 8.280 nan 0.000 0.531 74 A N 1.048 123.967 122.820 0.166 0.000 1.943 74 A HA -0.072 4.111 4.320 -0.228 0.000 0.213 74 A C 2.148 179.777 177.584 0.075 0.000 1.181 74 A CA 0.636 52.735 52.037 0.105 0.000 0.653 74 A CB 0.031 19.075 19.000 0.073 0.000 0.833 74 A HN 0.366 nan 8.150 nan 0.000 0.451 75 E N 0.199 120.438 120.200 0.066 0.000 2.107 75 E HA -0.019 4.194 4.350 -0.228 0.000 0.191 75 E C 2.257 178.883 176.600 0.043 0.000 0.982 75 E CA 0.716 57.142 56.400 0.044 0.000 0.809 75 E CB -0.263 29.457 29.700 0.033 0.000 0.756 75 E HN 0.582 nan 8.360 nan 0.000 0.459 76 A N 1.873 124.729 122.820 0.061 0.000 1.873 76 A HA -0.207 3.976 4.320 -0.228 0.000 0.218 76 A C 2.451 180.062 177.584 0.044 0.000 1.193 76 A CA 1.983 54.055 52.037 0.058 0.000 0.629 76 A CB -0.831 18.241 19.000 0.119 0.000 0.826 76 A HN 0.303 nan 8.150 nan 0.000 0.447 77 A N -0.864 121.993 122.820 0.062 0.000 1.972 77 A HA 0.034 4.217 4.320 -0.228 0.000 0.219 77 A C 2.207 179.806 177.584 0.026 0.000 1.169 77 A CA 1.706 53.768 52.037 0.042 0.000 0.635 77 A CB -0.848 18.187 19.000 0.058 0.000 0.810 77 A HN 0.413 nan 8.150 nan 0.000 0.446 78 V N -0.269 119.662 119.914 0.029 0.000 2.407 78 V HA -0.234 3.749 4.120 -0.228 0.000 0.248 78 V C 2.508 178.610 176.094 0.013 0.000 1.055 78 V CA 1.944 64.256 62.300 0.020 0.000 1.049 78 V CB -0.618 31.218 31.823 0.022 0.000 0.662 78 V HN 0.559 nan 8.190 nan 0.000 0.455 79 L N -1.147 120.083 121.223 0.012 0.000 2.068 79 L HA -0.053 4.150 4.340 -0.228 0.000 0.204 79 L C 2.258 179.128 176.870 0.000 0.000 1.076 79 L CA 1.236 56.080 54.840 0.005 0.000 0.753 79 L CB -0.360 41.700 42.059 0.002 0.000 0.910 79 L HN 0.230 nan 8.230 nan 0.000 0.439 80 L N -0.374 120.847 121.223 -0.003 0.000 2.275 80 L HA -0.200 4.003 4.340 -0.228 0.000 0.215 80 L C 2.511 179.377 176.870 -0.007 0.000 1.119 80 L CA 0.630 55.466 54.840 -0.006 0.000 0.790 80 L CB -0.204 41.849 42.059 -0.010 0.000 0.919 80 L HN 0.339 nan 8.230 nan 0.000 0.443 81 Q N -0.207 119.591 119.800 -0.004 0.000 2.187 81 Q HA -0.178 4.025 4.340 -0.228 0.000 0.199 81 Q C 2.023 178.022 176.000 -0.003 0.000 0.957 81 Q CA 1.291 57.091 55.803 -0.005 0.000 0.857 81 Q CB 0.058 28.796 28.738 0.001 0.000 0.929 81 Q HN 0.416 nan 8.270 nan 0.000 0.453 82 Q N -0.500 119.300 119.800 -0.000 0.000 1.917 82 Q HA -0.179 4.024 4.340 -0.228 0.000 0.205 82 Q C 1.897 177.894 176.000 -0.004 0.000 0.988 82 Q CA 1.572 57.376 55.803 0.001 0.000 0.851 82 Q CB -0.431 28.310 28.738 0.005 0.000 0.916 82 Q HN 0.466 nan 8.270 nan 0.000 0.424 83 A N 0.651 123.466 122.820 -0.008 0.000 1.883 83 A HA -0.369 3.814 4.320 -0.228 0.000 0.222 83 A C 2.235 179.806 177.584 -0.021 0.000 1.339 83 A CA 2.895 54.919 52.037 -0.021 0.000 0.692 83 A CB -1.692 17.291 19.000 -0.028 0.000 0.845 83 A HN 0.588 nan 8.150 nan 0.000 0.467 84 S N -0.480 115.209 115.700 -0.019 0.000 2.389 84 S HA -0.300 4.032 4.470 -0.228 0.000 0.231 84 S C 1.642 176.240 174.600 -0.004 0.000 1.052 84 S CA 2.265 60.457 58.200 -0.014 0.000 1.053 84 S CB -0.740 62.450 63.200 -0.017 0.000 0.886 84 S HN 0.591 nan 8.310 nan 0.000 0.456 85 D N 1.120 121.517 120.400 -0.004 0.000 2.117 85 D HA 0.093 4.596 4.640 -0.228 0.000 0.198 85 D C 2.194 178.495 176.300 0.001 0.000 0.982 85 D CA 1.306 55.306 54.000 -0.000 0.000 0.828 85 D CB -0.743 40.058 40.800 0.001 0.000 0.967 85 D HN 0.535 nan 8.370 nan 0.000 0.464 86 A N -0.134 122.684 122.820 -0.003 0.000 2.172 86 A HA 0.305 4.488 4.320 -0.228 0.000 0.216 86 A C 1.096 178.678 177.584 -0.003 0.000 1.154 86 A CA 1.239 53.273 52.037 -0.005 0.000 0.701 86 A CB 0.041 19.033 19.000 -0.013 0.000 0.789 86 A HN 0.177 nan 8.150 nan 0.000 0.465 87 A N -0.635 122.189 122.820 0.006 0.000 3.124 87 A HA 0.549 4.732 4.320 -0.228 0.000 0.295 87 A C -2.058 175.550 177.584 0.040 0.000 1.199 87 A CA -0.490 51.564 52.037 0.028 0.000 0.845 87 A CB 0.421 19.453 19.000 0.054 0.000 1.381 87 A HN 0.071 nan 8.150 nan 0.000 0.537 88 P HA -0.090 nan 4.420 nan 0.000 0.236 88 P C 0.487 177.803 177.300 0.026 0.000 1.172 88 P CA 1.073 64.184 63.100 0.019 0.000 0.759 88 P CB 0.414 32.120 31.700 0.011 0.000 0.843 89 E N -1.959 118.261 120.200 0.035 0.000 2.473 89 E HA -0.012 4.201 4.350 -0.228 0.000 0.204 89 E C 0.523 177.144 176.600 0.035 0.000 0.994 89 E CA -0.067 56.344 56.400 0.020 0.000 0.945 89 E CB -0.335 29.364 29.700 -0.001 0.000 0.990 89 E HN 0.369 nan 8.360 nan 0.000 0.493 90 H N 4.001 123.051 119.070 -0.033 0.000 3.086 90 H HA 0.052 4.474 4.556 -0.224 0.000 0.265 90 H C -1.613 173.680 175.328 -0.058 0.000 1.092 90 H CA -1.930 54.092 56.048 -0.044 0.000 1.487 90 H CB 1.044 30.783 29.762 -0.039 0.000 1.514 90 H HN -0.116 nan 8.280 nan 0.000 0.497 91 P HA -0.069 nan 4.420 nan 0.000 0.217 91 P C 1.542 178.876 177.300 0.056 0.000 1.151 91 P CA 1.343 64.483 63.100 0.067 0.000 0.828 91 P CB 0.037 31.734 31.700 -0.004 0.000 0.788 92 G N 0.287 109.170 108.800 0.138 0.000 2.422 92 G HA2 -0.199 3.624 3.960 -0.228 0.000 0.218 92 G HA3 -0.199 3.624 3.960 -0.228 0.000 0.218 92 G C 1.644 176.340 174.900 -0.339 0.000 1.146 92 G CA 0.500 45.473 45.100 -0.210 0.000 0.769 92 G HN 0.233 nan 8.290 nan 0.000 0.547 93 I N 1.261 121.688 120.570 -0.238 0.000 2.163 93 I HA -0.141 3.892 4.170 -0.228 0.000 0.240 93 I C 3.351 179.439 176.117 -0.048 0.000 1.081 93 I CA 0.903 62.109 61.300 -0.157 0.000 1.353 93 I CB -0.485 37.369 38.000 -0.243 0.000 1.054 93 I HN 0.241 nan 8.210 nan 0.000 0.407 94 A N 1.065 123.864 122.820 -0.036 0.000 1.915 94 A HA -0.290 3.893 4.320 -0.228 0.000 0.220 94 A C 2.302 179.826 177.584 -0.100 0.000 1.198 94 A CA 2.291 54.299 52.037 -0.050 0.000 0.647 94 A CB -1.005 17.984 19.000 -0.019 0.000 0.825 94 A HN 0.449 nan 8.150 nan 0.000 0.456 95 L N -1.777 119.398 121.223 -0.081 0.000 2.007 95 L HA -0.086 4.117 4.340 -0.228 0.000 0.205 95 L C 2.315 179.185 176.870 0.000 0.000 1.073 95 L CA 1.803 56.599 54.840 -0.073 0.000 0.744 95 L CB -0.618 41.422 42.059 -0.033 0.000 0.898 95 L HN 0.547 nan 8.230 nan 0.000 0.435 96 W N -0.130 121.132 121.300 -0.065 0.000 2.305 96 W HA -0.262 4.395 4.660 -0.006 0.000 0.308 96 W C 2.563 178.973 176.519 -0.182 0.000 1.226 96 W CA 1.659 58.929 57.345 -0.125 0.000 1.253 96 W CB -1.214 28.149 29.460 -0.162 0.000 1.146 96 W HN 0.328 nan 8.180 nan 0.000 0.507 97 L N 0.965 122.212 121.223 0.039 0.000 2.079 97 L HA -0.078 4.125 4.340 -0.228 0.000 0.210 97 L C 2.379 179.146 176.870 -0.172 0.000 1.081 97 L CA 2.701 57.504 54.840 -0.062 0.000 0.752 97 L CB -1.329 40.686 42.059 -0.074 0.000 0.896 97 L HN -0.048 nan 8.230 nan 0.000 0.433 98 G N -1.929 106.654 108.800 -0.361 0.000 2.402 98 G HA2 -0.256 3.567 3.960 -0.228 0.000 0.216 98 G HA3 -0.256 3.567 3.960 -0.228 0.000 0.216 98 G C 1.512 176.110 174.900 -0.503 0.000 1.162 98 G CA 0.766 45.413 45.100 -0.754 0.000 0.777 98 G HN 0.539 nan 8.290 nan 0.000 0.539 99 H N 0.861 119.779 119.070 -0.254 0.000 2.319 99 H HA -0.056 4.390 4.556 -0.184 0.000 0.299 99 H C 2.962 178.264 175.328 -0.043 0.000 1.092 99 H CA 1.486 57.469 56.048 -0.108 0.000 1.302 99 H CB -0.355 29.265 29.762 -0.237 0.000 1.373 99 H HN 0.378 nan 8.280 nan 0.000 0.497 100 A N 1.070 123.905 122.820 0.024 0.000 1.873 100 A HA -0.104 4.079 4.320 -0.228 0.000 0.215 100 A C 2.781 180.442 177.584 0.128 0.000 1.186 100 A CA 1.004 53.122 52.037 0.135 0.000 0.616 100 A CB -0.908 18.125 19.000 0.055 0.000 0.823 100 A HN 0.281 nan 8.150 nan 0.000 0.442 101 L N -0.631 120.604 121.223 0.019 0.000 2.042 101 L HA -0.251 3.952 4.340 -0.228 0.000 0.210 101 L C 2.706 179.609 176.870 0.054 0.000 1.076 101 L CA 1.993 56.844 54.840 0.019 0.000 0.749 101 L CB -0.516 41.511 42.059 -0.054 0.000 0.893 101 L HN 0.668 nan 8.230 nan 0.000 0.432 102 E N 0.369 120.563 120.200 -0.010 0.000 2.031 102 E HA -0.254 3.958 4.350 -0.228 0.000 0.193 102 E C 1.445 178.144 176.600 0.165 0.000 0.994 102 E CA 1.712 58.101 56.400 -0.020 0.000 0.800 102 E CB 0.076 29.603 29.700 -0.287 0.000 0.752 102 E HN 0.399 nan 8.360 nan 0.000 0.447 103 D N -0.254 120.306 120.400 0.267 0.000 2.348 103 D HA -0.025 4.478 4.640 -0.228 0.000 0.216 103 D C 1.067 177.622 176.300 0.425 0.000 0.970 103 D CA 0.863 55.120 54.000 0.428 0.000 0.889 103 D CB 0.180 41.331 40.800 0.586 0.000 0.912 103 D HN 0.264 nan 8.370 nan 0.000 0.524 104 A N -0.340 122.652 122.820 0.286 0.000 2.307 104 A HA 0.459 4.642 4.320 -0.228 0.000 0.218 104 A C 1.702 179.372 177.584 0.143 0.000 1.228 104 A CA 0.674 52.835 52.037 0.206 0.000 0.857 104 A CB -0.171 18.931 19.000 0.170 0.000 0.897 104 A HN 0.176 nan 8.150 nan 0.000 0.495 105 G N -0.714 108.184 108.800 0.164 0.000 2.143 105 G HA2 -0.251 3.572 3.960 -0.228 0.000 0.248 105 G HA3 -0.251 3.572 3.960 -0.228 0.000 0.248 105 G C -0.026 174.967 174.900 0.154 0.000 0.991 105 G CA 0.308 45.501 45.100 0.156 0.000 0.689 105 G HN 0.635 nan 8.290 nan 0.000 0.522 106 Q N -0.150 119.742 119.800 0.154 0.000 2.655 106 Q HA 0.661 4.864 4.340 -0.228 0.000 0.228 106 Q C 1.526 177.647 176.000 0.202 0.000 1.186 106 Q CA 0.042 55.928 55.803 0.140 0.000 1.004 106 Q CB 1.178 29.973 28.738 0.095 0.000 1.242 106 Q HN 0.469 nan 8.270 nan 0.000 0.558 107 A N 2.430 125.413 122.820 0.273 0.000 1.835 107 A HA -0.221 3.962 4.320 -0.228 0.000 0.215 107 A C 1.865 179.696 177.584 0.411 0.000 1.199 107 A CA 1.268 53.585 52.037 0.466 0.000 0.615 107 A CB -0.062 19.129 19.000 0.319 0.000 0.838 107 A HN 0.541 nan 8.150 nan 0.000 0.444 108 E N -0.112 120.219 120.200 0.218 0.000 2.058 108 E HA -0.191 4.022 4.350 -0.228 0.000 0.194 108 E C 2.360 179.048 176.600 0.146 0.000 0.997 108 E CA 1.395 57.891 56.400 0.160 0.000 0.801 108 E CB -0.700 29.048 29.700 0.081 0.000 0.746 108 E HN 0.570 nan 8.360 nan 0.000 0.450 109 A N 1.455 124.340 122.820 0.108 0.000 1.933 109 A HA -0.086 4.097 4.320 -0.228 0.000 0.218 109 A C 2.433 180.036 177.584 0.032 0.000 1.175 109 A CA 2.039 54.111 52.037 0.059 0.000 0.628 109 A CB -0.551 18.472 19.000 0.038 0.000 0.814 109 A HN 0.273 nan 8.150 nan 0.000 0.444 110 A N -0.032 122.822 122.820 0.056 0.000 1.883 110 A HA 0.113 4.296 4.320 -0.228 0.000 0.217 110 A C 2.490 180.054 177.584 -0.033 0.000 1.186 110 A CA 2.194 54.179 52.037 -0.088 0.000 0.624 110 A CB -1.022 17.908 19.000 -0.117 0.000 0.822 110 A HN 1.107 nan 8.150 nan 0.000 0.444 111 A N -0.471 122.523 122.820 0.290 0.000 2.015 111 A HA 0.256 4.439 4.320 -0.228 0.000 0.219 111 A C 2.418 180.135 177.584 0.221 0.000 1.163 111 A CA 1.754 54.049 52.037 0.430 0.000 0.646 111 A CB -0.818 18.509 19.000 0.545 0.000 0.806 111 A HN 0.987 nan 8.150 nan 0.000 0.448 112 A N 0.176 123.068 122.820 0.120 0.000 1.877 112 A HA 0.141 4.324 4.320 -0.228 0.000 0.216 112 A C 2.513 180.112 177.584 0.024 0.000 1.186 112 A CA 2.053 54.131 52.037 0.068 0.000 0.620 112 A CB -1.091 17.934 19.000 0.043 0.000 0.822 112 A HN 1.060 nan 8.150 nan 0.000 0.443 113 A N -1.553 121.227 122.820 -0.066 0.000 1.940 113 A HA -0.088 4.095 4.320 -0.228 0.000 0.219 113 A C 2.063 179.566 177.584 -0.135 0.000 1.176 113 A CA 1.677 53.625 52.037 -0.148 0.000 0.631 113 A CB -0.756 18.078 19.000 -0.278 0.000 0.814 113 A HN 0.599 nan 8.150 nan 0.000 0.446 114 Y N 0.141 120.429 120.300 -0.021 0.000 2.337 114 Y HA -0.078 4.330 4.550 -0.236 0.000 0.293 114 Y C 2.900 178.829 175.900 0.049 0.000 1.123 114 Y CA 1.412 59.500 58.100 -0.020 0.000 1.201 114 Y CB -1.021 37.405 38.460 -0.056 0.000 1.011 114 Y HN 0.246 nan 8.280 nan 0.000 0.545 115 T N -0.123 114.560 114.554 0.214 0.000 2.684 115 T HA -0.228 3.985 4.350 -0.228 0.000 0.267 115 T C 2.046 176.836 174.700 0.150 0.000 1.036 115 T CA 1.732 63.941 62.100 0.181 0.000 1.148 115 T CB -0.201 68.750 68.868 0.138 0.000 0.863 115 T HN 0.232 nan 8.240 nan 0.000 0.436 116 R N 0.712 121.267 120.500 0.091 0.000 2.070 116 R HA -0.023 4.180 4.340 -0.228 0.000 0.233 116 R C 2.647 178.983 176.300 0.060 0.000 1.137 116 R CA 1.436 57.569 56.100 0.056 0.000 0.945 116 R CB -0.512 29.802 30.300 0.023 0.000 0.845 116 R HN 0.356 nan 8.270 nan 0.000 0.430 117 A N -0.085 122.778 122.820 0.071 0.000 1.940 117 A HA -0.262 3.921 4.320 -0.228 0.000 0.219 117 A C 1.974 179.625 177.584 0.112 0.000 1.176 117 A CA 2.022 54.105 52.037 0.077 0.000 0.631 117 A CB -0.923 18.128 19.000 0.085 0.000 0.814 117 A HN 0.668 nan 8.150 nan 0.000 0.446 118 H N -0.723 118.384 119.070 0.062 0.000 2.423 118 H HA -0.079 4.339 4.556 -0.230 0.000 0.297 118 H C 2.013 177.363 175.328 0.036 0.000 1.075 118 H CA 1.996 58.075 56.048 0.052 0.000 1.342 118 H CB -0.144 29.653 29.762 0.058 0.000 1.395 118 H HN 0.591 nan 8.280 nan 0.000 0.530 119 Q N -0.381 119.373 119.800 -0.078 0.000 2.212 119 Q HA 0.024 4.227 4.340 -0.228 0.000 0.199 119 Q C 2.056 177.992 176.000 -0.106 0.000 0.950 119 Q CA 0.787 56.507 55.803 -0.139 0.000 0.863 119 Q CB 0.122 28.845 28.738 -0.026 0.000 0.944 119 Q HN 0.537 nan 8.270 nan 0.000 0.465 120 L N -0.140 121.049 121.223 -0.055 0.000 2.093 120 L HA -0.037 4.165 4.340 -0.228 0.000 0.208 120 L C 0.622 177.456 176.870 -0.059 0.000 1.085 120 L CA 0.737 55.551 54.840 -0.044 0.000 0.755 120 L CB 0.194 42.242 42.059 -0.019 0.000 0.904 120 L HN 0.214 nan 8.230 nan 0.000 0.435 121 L N 0.635 121.819 121.223 -0.064 0.000 2.637 121 L HA 0.213 4.416 4.340 -0.228 0.000 0.241 121 L C -1.494 175.321 176.870 -0.093 0.000 1.398 121 L CA -1.087 53.720 54.840 -0.055 0.000 0.895 121 L CB 0.903 42.955 42.059 -0.012 0.000 1.183 121 L HN -0.123 nan 8.230 nan 0.000 0.497 122 P HA -0.204 nan 4.420 nan 0.000 0.218 122 P C 0.433 177.682 177.300 -0.085 0.000 1.146 122 P CA 1.373 64.289 63.100 -0.307 0.000 0.813 122 P CB 0.224 31.795 31.700 -0.215 0.000 0.778 123 E N -0.858 119.328 120.200 -0.024 0.000 2.815 123 E HA 0.213 4.425 4.350 -0.228 0.000 0.211 123 E C -0.048 176.577 176.600 0.041 0.000 1.004 123 E CA -0.427 55.988 56.400 0.025 0.000 1.173 123 E CB 0.147 29.853 29.700 0.009 0.000 1.163 123 E HN -0.047 nan 8.360 nan 0.000 0.449 124 E N 2.859 123.100 120.200 0.068 0.000 2.063 124 E HA 0.152 4.365 4.350 -0.228 0.000 0.265 124 E C -1.660 175.017 176.600 0.129 0.000 0.919 124 E CA -2.809 53.643 56.400 0.088 0.000 0.756 124 E CB 1.528 31.282 29.700 0.089 0.000 1.120 124 E HN 0.113 nan 8.360 nan 0.000 0.414 125 P HA -0.215 nan 4.420 nan 0.000 0.215 125 P C 1.408 178.773 177.300 0.107 0.000 1.153 125 P CA 0.968 64.124 63.100 0.092 0.000 0.853 125 P CB 0.023 31.762 31.700 0.065 0.000 0.788 126 Y N 1.071 121.373 120.300 0.004 0.000 2.096 126 Y HA -0.258 4.147 4.550 -0.242 0.000 0.278 126 Y C 2.396 178.300 175.900 0.005 0.000 1.192 126 Y CA 1.715 59.816 58.100 0.001 0.000 1.143 126 Y CB -1.171 37.291 38.460 0.003 0.000 0.963 126 Y HN -0.188 nan 8.280 nan 0.000 0.505 127 I N -1.131 119.490 120.570 0.085 0.000 2.233 127 I HA -0.305 3.728 4.170 -0.228 0.000 0.243 127 I C 2.230 178.321 176.117 -0.043 0.000 1.093 127 I CA 1.695 63.003 61.300 0.013 0.000 1.380 127 I CB -0.766 37.325 38.000 0.152 0.000 1.067 127 I HN 0.161 nan 8.210 nan 0.000 0.413 128 T N 0.994 115.561 114.554 0.021 0.000 2.685 128 T HA -0.263 3.950 4.350 -0.228 0.000 0.268 128 T C 1.978 176.595 174.700 -0.139 0.000 1.034 128 T CA 1.666 63.706 62.100 -0.101 0.000 1.149 128 T CB -0.422 68.430 68.868 -0.025 0.000 0.860 128 T HN 0.503 nan 8.240 nan 0.000 0.449 129 A N 1.096 123.846 122.820 -0.117 0.000 1.968 129 A HA -0.062 4.121 4.320 -0.228 0.000 0.217 129 A C 2.320 179.802 177.584 -0.170 0.000 1.169 129 A CA 0.971 52.941 52.037 -0.112 0.000 0.638 129 A CB -0.392 18.555 19.000 -0.089 0.000 0.812 129 A HN 0.552 nan 8.150 nan 0.000 0.446 130 Q N -1.047 118.580 119.800 -0.288 0.000 2.137 130 Q HA -0.057 4.146 4.340 -0.228 0.000 0.198 130 Q C 2.022 177.773 176.000 -0.415 0.000 0.960 130 Q CA 1.023 56.580 55.803 -0.410 0.000 0.847 130 Q CB -0.311 28.046 28.738 -0.636 0.000 0.915 130 Q HN 0.546 nan 8.270 nan 0.000 0.448 131 L N 1.298 122.326 121.223 -0.325 0.000 1.970 131 L HA -0.203 4.000 4.340 -0.228 0.000 0.212 131 L C 2.149 178.970 176.870 -0.081 0.000 1.071 131 L CA 1.562 56.291 54.840 -0.186 0.000 0.751 131 L CB -0.947 41.010 42.059 -0.172 0.000 0.889 131 L HN 0.212 nan 8.230 nan 0.000 0.432 132 L N 0.273 121.438 121.223 -0.097 0.000 2.013 132 L HA -0.296 3.907 4.340 -0.228 0.000 0.212 132 L C 2.360 179.235 176.870 0.008 0.000 1.073 132 L CA 2.335 57.152 54.840 -0.039 0.000 0.753 132 L CB -1.295 40.738 42.059 -0.044 0.000 0.890 132 L HN 0.624 nan 8.230 nan 0.000 0.432 133 N N -1.337 117.366 118.700 0.005 0.000 2.223 133 N HA -0.275 4.328 4.740 -0.228 0.000 0.185 133 N C 1.961 177.558 175.510 0.145 0.000 1.016 133 N CA 1.433 54.518 53.050 0.058 0.000 0.863 133 N CB -0.319 38.206 38.487 0.063 0.000 0.983 133 N HN 0.631 nan 8.380 nan 0.000 0.429 134 W N 1.805 123.041 121.300 -0.105 0.000 2.453 134 W HA -0.015 4.518 4.660 -0.212 0.000 0.289 134 W C 2.043 178.573 176.519 0.018 0.000 1.215 134 W CA 0.358 57.679 57.345 -0.040 0.000 1.297 134 W CB 0.047 29.465 29.460 -0.071 0.000 1.113 134 W HN 0.118 nan 8.180 nan 0.000 0.551 135 R N 0.277 120.826 120.500 0.083 0.000 2.081 135 R HA -0.148 4.055 4.340 -0.228 0.000 0.235 135 R C 2.054 178.362 176.300 0.012 0.000 1.131 135 R CA 1.123 57.240 56.100 0.029 0.000 0.960 135 R CB -0.814 29.527 30.300 0.068 0.000 0.856 135 R HN 0.260 nan 8.270 nan 0.000 0.436 136 R N 0.371 120.907 120.500 0.061 0.000 2.105 136 R HA -0.082 4.121 4.340 -0.228 0.000 0.239 136 R C 2.371 178.707 176.300 0.060 0.000 1.135 136 R CA 1.175 57.350 56.100 0.125 0.000 0.967 136 R CB -0.224 30.152 30.300 0.127 0.000 0.861 136 R HN 0.214 nan 8.270 nan 0.000 0.442 137 R N 0.336 120.786 120.500 -0.083 0.000 2.115 137 R HA -0.010 4.193 4.340 -0.228 0.000 0.230 137 R C 1.704 177.834 176.300 -0.283 0.000 1.111 137 R CA 0.917 56.896 56.100 -0.202 0.000 0.976 137 R CB 0.022 29.993 30.300 -0.548 0.000 0.870 137 R HN 0.193 nan 8.270 nan 0.000 0.445 138 L N -0.644 120.389 121.223 -0.316 0.000 2.628 138 L HA 0.120 4.322 4.340 -0.228 0.000 0.229 138 L C 0.307 177.027 176.870 -0.251 0.000 1.137 138 L CA -0.407 54.272 54.840 -0.269 0.000 0.909 138 L CB 0.302 42.215 42.059 -0.243 0.000 1.137 138 L HN 0.257 nan 8.230 nan 0.000 0.470 139 C N 1.247 120.413 119.300 -0.223 0.000 4.268 139 C HA -0.184 4.139 4.460 -0.228 0.000 0.299 139 C C 0.741 175.243 174.990 -0.814 0.000 1.429 139 C CA 0.490 59.240 59.018 -0.448 0.000 2.018 139 C CB -2.283 25.178 27.740 -0.465 0.000 1.277 139 C HN 0.593 nan 8.230 nan 0.000 0.767 140 D N -0.444 119.711 120.400 -0.408 0.000 2.396 140 D HA 0.284 4.787 4.640 -0.228 0.000 0.225 140 D C 0.445 176.704 176.300 -0.068 0.000 1.121 140 D CA -0.294 53.533 54.000 -0.288 0.000 0.853 140 D CB 0.338 41.071 40.800 -0.113 0.000 1.043 140 D HN 0.533 nan 8.370 nan 0.000 0.500 141 W N 3.558 124.818 121.300 -0.067 0.000 3.239 141 W HA 0.215 4.737 4.660 -0.230 0.000 0.368 141 W C 0.469 176.964 176.519 -0.040 0.000 1.154 141 W CA -0.695 56.605 57.345 -0.075 0.000 1.860 141 W CB -0.514 28.866 29.460 -0.134 0.000 1.094 141 W HN 0.152 nan 8.180 nan 0.000 0.643 142 R N 1.390 121.978 120.500 0.147 0.000 2.480 142 R HA 0.197 4.400 4.340 -0.228 0.000 0.303 142 R C 1.226 177.581 176.300 0.092 0.000 0.985 142 R CA 0.835 56.999 56.100 0.105 0.000 1.051 142 R CB 0.186 30.530 30.300 0.073 0.000 0.935 142 R HN 0.066 nan 8.270 nan 0.000 0.410 143 A N 2.955 125.824 122.820 0.081 0.000 2.799 143 A HA -0.202 3.980 4.320 -0.228 0.000 0.287 143 A C 1.149 178.761 177.584 0.046 0.000 1.484 143 A CA 0.775 52.849 52.037 0.061 0.000 0.813 143 A CB -1.433 17.605 19.000 0.063 0.000 1.009 143 A HN 0.742 nan 8.150 nan 0.000 0.545 144 L N -0.072 121.183 121.223 0.054 0.000 2.079 144 L HA -0.147 4.056 4.340 -0.228 0.000 0.210 144 L C 2.064 178.924 176.870 -0.016 0.000 1.081 144 L CA 2.757 57.611 54.840 0.024 0.000 0.752 144 L CB -0.380 41.686 42.059 0.011 0.000 0.896 144 L HN 0.595 nan 8.230 nan 0.000 0.433 145 D N -1.119 119.271 120.400 -0.017 0.000 2.117 145 D HA -0.152 4.350 4.640 -0.228 0.000 0.198 145 D C 2.202 178.494 176.300 -0.013 0.000 0.982 145 D CA 1.686 55.669 54.000 -0.028 0.000 0.828 145 D CB -0.048 40.739 40.800 -0.021 0.000 0.967 145 D HN 0.304 nan 8.370 nan 0.000 0.464 146 V N 1.787 121.704 119.914 0.005 0.000 2.343 146 V HA -0.214 3.769 4.120 -0.228 0.000 0.247 146 V C 2.682 178.783 176.094 0.011 0.000 1.051 146 V CA 1.131 63.440 62.300 0.016 0.000 1.036 146 V CB -0.528 31.316 31.823 0.036 0.000 0.654 146 V HN 0.162 nan 8.190 nan 0.000 0.451 147 L N -0.238 120.984 121.223 -0.003 0.000 2.083 147 L HA -0.157 4.046 4.340 -0.228 0.000 0.209 147 L C 2.700 179.560 176.870 -0.018 0.000 1.083 147 L CA 1.764 56.588 54.840 -0.027 0.000 0.752 147 L CB -0.692 41.331 42.059 -0.060 0.000 0.899 147 L HN 0.337 nan 8.230 nan 0.000 0.433 148 S N -0.377 115.309 115.700 -0.023 0.000 2.368 148 S HA -0.161 4.172 4.470 -0.228 0.000 0.225 148 S C 2.146 176.743 174.600 -0.005 0.000 1.030 148 S CA 1.214 59.396 58.200 -0.031 0.000 0.999 148 S CB -0.083 63.077 63.200 -0.067 0.000 0.844 148 S HN 0.445 nan 8.310 nan 0.000 0.459 149 A N 0.962 123.780 122.820 -0.004 0.000 1.877 149 A HA -0.151 4.032 4.320 -0.228 0.000 0.216 149 A C 2.107 179.706 177.584 0.025 0.000 1.186 149 A CA 1.652 53.694 52.037 0.009 0.000 0.620 149 A CB -0.739 18.265 19.000 0.006 0.000 0.822 149 A HN 0.700 nan 8.150 nan 0.000 0.443 150 Q N -0.559 119.256 119.800 0.025 0.000 2.167 150 Q HA -0.079 4.124 4.340 -0.228 0.000 0.202 150 Q C 2.120 178.142 176.000 0.037 0.000 0.970 150 Q CA 1.428 57.251 55.803 0.033 0.000 0.855 150 Q CB -0.314 28.449 28.738 0.042 0.000 0.911 150 Q HN 0.501 nan 8.270 nan 0.000 0.438 151 V N 1.025 120.966 119.914 0.046 0.000 2.307 151 V HA -0.253 3.730 4.120 -0.228 0.000 0.245 151 V C 2.167 178.334 176.094 0.122 0.000 1.045 151 V CA 1.793 64.139 62.300 0.077 0.000 1.024 151 V CB -0.451 31.436 31.823 0.106 0.000 0.651 151 V HN 0.285 nan 8.190 nan 0.000 0.449 152 R N 0.332 120.932 120.500 0.167 0.000 2.081 152 R HA -0.128 4.075 4.340 -0.228 0.000 0.235 152 R C 2.449 178.790 176.300 0.067 0.000 1.131 152 R CA 1.492 57.709 56.100 0.196 0.000 0.960 152 R CB -0.699 29.692 30.300 0.152 0.000 0.856 152 R HN 0.526 nan 8.270 nan 0.000 0.436 153 A N 1.386 124.230 122.820 0.040 0.000 1.908 153 A HA -0.179 4.004 4.320 -0.228 0.000 0.218 153 A C 2.396 179.976 177.584 -0.007 0.000 1.181 153 A CA 1.857 53.902 52.037 0.013 0.000 0.627 153 A CB -0.753 18.256 19.000 0.014 0.000 0.818 153 A HN 0.420 nan 8.150 nan 0.000 0.445 154 A N -0.690 122.125 122.820 -0.008 0.000 1.933 154 A HA 0.017 4.200 4.320 -0.228 0.000 0.218 154 A C 2.225 179.760 177.584 -0.080 0.000 1.175 154 A CA 1.705 53.724 52.037 -0.030 0.000 0.628 154 A CB -0.922 18.068 19.000 -0.017 0.000 0.814 154 A HN 0.398 nan 8.150 nan 0.000 0.444 155 V N -0.028 119.807 119.914 -0.133 0.000 2.287 155 V HA -0.300 3.683 4.120 -0.228 0.000 0.248 155 V C 3.072 179.084 176.094 -0.137 0.000 1.053 155 V CA 2.022 64.186 62.300 -0.227 0.000 1.027 155 V CB -1.300 30.273 31.823 -0.416 0.000 0.646 155 V HN 0.633 nan 8.190 nan 0.000 0.447 156 A N -0.989 121.785 122.820 -0.077 0.000 1.883 156 A HA -0.329 3.854 4.320 -0.228 0.000 0.217 156 A C 2.128 179.684 177.584 -0.047 0.000 1.186 156 A CA 2.231 54.238 52.037 -0.049 0.000 0.624 156 A CB -0.548 18.439 19.000 -0.022 0.000 0.822 156 A HN 0.588 nan 8.150 nan 0.000 0.444 157 Q N -1.899 117.876 119.800 -0.042 0.000 2.482 157 Q HA 0.260 4.463 4.340 -0.228 0.000 0.209 157 Q C 1.032 177.007 176.000 -0.041 0.000 0.961 157 Q CA 0.560 56.342 55.803 -0.034 0.000 0.945 157 Q CB -0.008 28.716 28.738 -0.023 0.000 1.012 157 Q HN 0.946 nan 8.270 nan 0.000 0.515 158 G N 0.082 108.845 108.800 -0.060 0.000 2.143 158 G HA2 -0.255 3.568 3.960 -0.228 0.000 0.248 158 G HA3 -0.255 3.568 3.960 -0.228 0.000 0.248 158 G C 0.100 174.967 174.900 -0.055 0.000 0.991 158 G CA 0.327 45.388 45.100 -0.064 0.000 0.689 158 G HN 0.421 nan 8.290 nan 0.000 0.522 159 V N -4.472 115.412 119.914 -0.050 0.000 3.103 159 V HA 0.989 4.972 4.120 -0.228 0.000 0.318 159 V C 1.432 177.514 176.094 -0.020 0.000 1.114 159 V CA 0.380 62.664 62.300 -0.028 0.000 1.020 159 V CB 1.423 33.237 31.823 -0.014 0.000 1.085 159 V HN 2.067 nan 8.190 nan 0.000 0.446 160 G N 0.163 108.976 108.800 0.022 0.000 2.217 160 G HA2 0.040 3.863 3.960 -0.228 0.000 0.246 160 G HA3 0.040 3.863 3.960 -0.228 0.000 0.246 160 G C 1.158 176.131 174.900 0.123 0.000 0.990 160 G CA 0.806 45.953 45.100 0.077 0.000 0.627 160 G HN 2.681 nan 8.290 nan 0.000 0.522 161 A N -1.710 121.144 122.820 0.057 0.000 2.748 161 A HA 0.019 4.202 4.320 -0.228 0.000 0.297 161 A C 1.165 178.757 177.584 0.013 0.000 1.508 161 A CA 1.490 53.565 52.037 0.063 0.000 0.799 161 A CB -2.089 17.029 19.000 0.196 0.000 1.011 161 A HN 1.958 nan 8.150 nan 0.000 0.500 162 V N 0.867 120.738 119.914 -0.072 0.000 2.720 162 V HA 0.079 4.062 4.120 -0.228 0.000 0.307 162 V C 0.976 176.971 176.094 -0.165 0.000 1.071 162 V CA 0.443 62.668 62.300 -0.125 0.000 1.199 162 V CB 0.540 32.231 31.823 -0.220 0.000 0.900 162 V HN 0.547 nan 8.190 nan 0.000 0.494 163 E N 6.420 126.565 120.200 -0.092 0.000 2.200 163 E HA 0.233 4.446 4.350 -0.228 0.000 0.283 163 E C -1.696 174.865 176.600 -0.064 0.000 1.015 163 E CA -1.936 54.411 56.400 -0.089 0.000 0.819 163 E CB 1.780 31.506 29.700 0.043 0.000 1.081 163 E HN 0.396 nan 8.360 nan 0.000 0.397 164 P HA -0.146 nan 4.420 nan 0.000 0.216 164 P C 1.268 178.699 177.300 0.219 0.000 1.150 164 P CA 0.896 63.919 63.100 -0.128 0.000 0.837 164 P CB 0.035 31.381 31.700 -0.590 0.000 0.786 165 F N 0.780 120.842 119.950 0.186 0.000 2.134 165 F HA -0.158 4.232 4.527 -0.228 0.000 0.299 165 F C 2.152 178.043 175.800 0.151 0.000 1.097 165 F CA 1.617 59.805 58.000 0.314 0.000 1.264 165 F CB -0.704 38.481 39.000 0.307 0.000 1.001 165 F HN -0.139 nan 8.300 nan 0.000 0.479 166 A N -0.491 122.421 122.820 0.152 0.000 2.015 166 A HA -0.192 3.991 4.320 -0.228 0.000 0.219 166 A C 2.009 179.582 177.584 -0.018 0.000 1.163 166 A CA 1.260 53.303 52.037 0.009 0.000 0.646 166 A CB -1.478 17.578 19.000 0.093 0.000 0.806 166 A HN 0.514 nan 8.150 nan 0.000 0.448 167 F N 0.432 120.302 119.950 -0.134 0.000 2.407 167 F HA 0.027 4.417 4.527 -0.229 0.000 0.299 167 F C 1.655 177.344 175.800 -0.184 0.000 1.097 167 F CA 0.605 58.522 58.000 -0.139 0.000 1.422 167 F CB -0.221 38.703 39.000 -0.127 0.000 1.067 167 F HN 0.130 nan 8.300 nan 0.000 0.539 168 L N -1.008 120.068 121.223 -0.244 0.000 2.265 168 L HA -0.200 4.003 4.340 -0.228 0.000 0.215 168 L C 2.261 178.914 176.870 -0.362 0.000 1.117 168 L CA 1.034 55.610 54.840 -0.439 0.000 0.782 168 L CB -0.760 40.846 42.059 -0.754 0.000 0.914 168 L HN -0.012 nan 8.230 nan 0.000 0.441 169 S N -1.297 114.273 115.700 -0.216 0.000 2.489 169 S HA -0.012 4.321 4.470 -0.228 0.000 0.228 169 S C 0.717 175.192 174.600 -0.207 0.000 0.995 169 S CA 0.471 58.623 58.200 -0.079 0.000 0.934 169 S CB -0.119 63.079 63.200 -0.004 0.000 0.771 169 S HN 0.308 nan 8.310 nan 0.000 0.522 170 E N 2.279 122.251 120.200 -0.381 0.000 2.343 170 E HA 0.196 4.409 4.350 -0.228 0.000 0.269 170 E C -0.914 175.444 176.600 -0.402 0.000 1.047 170 E CA -0.395 55.750 56.400 -0.425 0.000 0.874 170 E CB 0.324 29.610 29.700 -0.690 0.000 1.033 170 E HN 0.216 nan 8.360 nan 0.000 0.409 171 D N 0.969 121.190 120.400 -0.298 0.000 2.435 171 D HA 0.419 4.922 4.640 -0.228 0.000 0.230 171 D C -0.591 175.562 176.300 -0.244 0.000 1.215 171 D CA -0.086 53.764 54.000 -0.251 0.000 0.947 171 D CB 0.452 41.160 40.800 -0.153 0.000 1.048 171 D HN 0.380 nan 8.370 nan 0.000 0.512 172 A N 1.639 124.284 122.820 -0.291 0.000 2.515 172 A HA 0.675 4.858 4.320 -0.228 0.000 0.298 172 A C 0.228 177.695 177.584 -0.195 0.000 1.059 172 A CA -0.906 50.982 52.037 -0.248 0.000 0.698 172 A CB 1.266 20.022 19.000 -0.405 0.000 1.289 172 A HN 0.407 nan 8.150 nan 0.000 0.404 173 S N 0.842 116.448 115.700 -0.156 0.000 2.617 173 S HA 0.492 4.825 4.470 -0.228 0.000 0.259 173 S C 1.393 175.843 174.600 -0.250 0.000 1.301 173 S CA 0.106 58.182 58.200 -0.208 0.000 0.984 173 S CB 0.954 64.007 63.200 -0.244 0.000 0.954 173 S HN 1.958 nan 8.310 nan 0.000 0.572 174 A N 0.969 123.567 122.820 -0.369 0.000 1.972 174 A HA 0.136 4.319 4.320 -0.228 0.000 0.219 174 A C 2.367 179.656 177.584 -0.492 0.000 1.169 174 A CA 1.761 53.566 52.037 -0.386 0.000 0.635 174 A CB -1.682 17.088 19.000 -0.384 0.000 0.810 174 A HN 1.306 nan 8.150 nan 0.000 0.446 175 A N -0.146 122.201 122.820 -0.789 0.000 1.902 175 A HA -0.171 4.011 4.320 -0.228 0.000 0.217 175 A C 1.917 179.420 177.584 -0.135 0.000 1.181 175 A CA 1.627 53.422 52.037 -0.403 0.000 0.623 175 A CB -0.466 18.352 19.000 -0.304 0.000 0.818 175 A HN 0.640 nan 8.150 nan 0.000 0.443 176 E N -0.502 119.636 120.200 -0.104 0.000 2.152 176 E HA -0.182 4.031 4.350 -0.228 0.000 0.192 176 E C 2.240 178.899 176.600 0.098 0.000 0.983 176 E CA 1.081 57.502 56.400 0.035 0.000 0.818 176 E CB -0.155 29.627 29.700 0.137 0.000 0.758 176 E HN 0.720 nan 8.360 nan 0.000 0.467 177 Q N 0.298 120.148 119.800 0.082 0.000 2.119 177 Q HA -0.147 4.056 4.340 -0.228 0.000 0.201 177 Q C 2.274 178.247 176.000 -0.046 0.000 0.972 177 Q CA 0.730 56.594 55.803 0.102 0.000 0.847 177 Q CB -0.044 28.717 28.738 0.037 0.000 0.903 177 Q HN 0.188 nan 8.270 nan 0.000 0.433 178 L N 0.691 121.871 121.223 -0.072 0.000 2.027 178 L HA -0.097 4.106 4.340 -0.228 0.000 0.206 178 L C 2.171 178.979 176.870 -0.104 0.000 1.074 178 L CA 2.024 56.814 54.840 -0.083 0.000 0.745 178 L CB -0.843 41.207 42.059 -0.016 0.000 0.898 178 L HN 0.099 nan 8.230 nan 0.000 0.433 179 A N -0.890 121.872 122.820 -0.097 0.000 1.873 179 A HA -0.336 3.847 4.320 -0.228 0.000 0.218 179 A C 2.575 180.032 177.584 -0.211 0.000 1.193 179 A CA 2.077 54.038 52.037 -0.127 0.000 0.629 179 A CB -1.757 17.178 19.000 -0.109 0.000 0.826 179 A HN 0.718 nan 8.150 nan 0.000 0.447 180 C N -0.758 118.355 119.300 -0.313 0.000 2.398 180 C HA -0.010 4.313 4.460 -0.228 0.000 0.276 180 C C 3.169 177.924 174.990 -0.391 0.000 1.222 180 C CA 1.619 60.361 59.018 -0.460 0.000 1.746 180 C CB -1.424 25.856 27.740 -0.767 0.000 2.039 180 C HN 0.691 nan 8.230 nan 0.000 0.470 181 A N 1.534 124.155 122.820 -0.332 0.000 1.855 181 A HA -0.136 4.047 4.320 -0.228 0.000 0.215 181 A C 2.154 179.581 177.584 -0.263 0.000 1.191 181 A CA 2.091 53.895 52.037 -0.388 0.000 0.613 181 A CB -0.722 18.136 19.000 -0.237 0.000 0.829 181 A HN 0.803 nan 8.150 nan 0.000 0.442 182 R N -0.108 120.286 120.500 -0.177 0.000 2.148 182 R HA -0.027 4.176 4.340 -0.228 0.000 0.227 182 R C 1.564 177.798 176.300 -0.110 0.000 1.103 182 R CA 2.223 58.246 56.100 -0.128 0.000 0.983 182 R CB -1.802 28.432 30.300 -0.109 0.000 0.874 182 R HN 0.340 nan 8.270 nan 0.000 0.451 183 T N 0.266 114.737 114.554 -0.139 0.000 2.777 183 T HA -0.089 4.124 4.350 -0.228 0.000 0.266 183 T C 1.746 176.393 174.700 -0.089 0.000 1.040 183 T CA 1.519 63.554 62.100 -0.108 0.000 1.141 183 T CB -0.259 68.530 68.868 -0.131 0.000 0.868 183 T HN 0.294 nan 8.240 nan 0.000 0.444 184 R N 1.680 122.080 120.500 -0.166 0.000 2.075 184 R HA 0.113 4.316 4.340 -0.228 0.000 0.232 184 R C 2.488 178.846 176.300 0.097 0.000 1.126 184 R CA 1.484 57.488 56.100 -0.159 0.000 0.963 184 R CB -0.790 29.191 30.300 -0.533 0.000 0.858 184 R HN 0.340 nan 8.270 nan 0.000 0.435 185 A N 0.178 123.097 122.820 0.166 0.000 1.930 185 A HA -0.177 4.006 4.320 -0.228 0.000 0.217 185 A C 2.056 179.791 177.584 0.252 0.000 1.175 185 A CA 1.500 53.746 52.037 0.348 0.000 0.627 185 A CB -0.449 18.535 19.000 -0.027 0.000 0.815 185 A HN 0.525 nan 8.150 nan 0.000 0.443 186 Q N -0.801 119.061 119.800 0.104 0.000 2.167 186 Q HA -0.013 4.190 4.340 -0.228 0.000 0.202 186 Q C 2.352 178.422 176.000 0.117 0.000 0.970 186 Q CA 1.112 56.970 55.803 0.093 0.000 0.855 186 Q CB -0.311 28.442 28.738 0.024 0.000 0.911 186 Q HN 0.697 nan 8.270 nan 0.000 0.438 187 A N 0.626 123.511 122.820 0.109 0.000 1.898 187 A HA -0.145 4.038 4.320 -0.228 0.000 0.216 187 A C 1.976 179.637 177.584 0.127 0.000 1.181 187 A CA 0.978 53.070 52.037 0.092 0.000 0.620 187 A CB -0.455 18.585 19.000 0.066 0.000 0.819 187 A HN 0.285 nan 8.150 nan 0.000 0.442 188 I N -0.196 120.499 120.570 0.208 0.000 2.202 188 I HA -0.254 3.779 4.170 -0.228 0.000 0.242 188 I C 2.955 179.165 176.117 0.156 0.000 1.091 188 I CA 1.032 62.447 61.300 0.193 0.000 1.368 188 I CB -0.263 37.918 38.000 0.301 0.000 1.058 188 I HN 0.338 nan 8.210 nan 0.000 0.410 189 A N 0.642 123.643 122.820 0.301 0.000 1.940 189 A HA -0.193 3.990 4.320 -0.228 0.000 0.219 189 A C 2.433 180.088 177.584 0.118 0.000 1.176 189 A CA 1.856 54.044 52.037 0.253 0.000 0.631 189 A CB -0.833 18.386 19.000 0.365 0.000 0.814 189 A HN 0.446 nan 8.150 nan 0.000 0.446 190 A N -0.077 122.802 122.820 0.099 0.000 2.172 190 A HA 0.085 4.268 4.320 -0.228 0.000 0.216 190 A C 2.012 179.618 177.584 0.036 0.000 1.154 190 A CA 1.674 53.746 52.037 0.058 0.000 0.701 190 A CB -0.560 18.468 19.000 0.048 0.000 0.789 190 A HN 1.023 nan 8.150 nan 0.000 0.465 191 S N -1.761 113.957 115.700 0.031 0.000 2.568 191 S HA 0.489 4.822 4.470 -0.228 0.000 0.232 191 S C -0.125 174.468 174.600 -0.011 0.000 0.975 191 S CA -0.274 57.933 58.200 0.011 0.000 0.949 191 S CB 0.094 63.302 63.200 0.013 0.000 0.829 191 S HN 0.094 nan 8.310 nan 0.000 0.479 192 V N 1.508 121.412 119.914 -0.016 0.000 2.686 192 V HA 0.485 4.468 4.120 -0.228 0.000 0.306 192 V C -0.818 175.256 176.094 -0.033 0.000 1.065 192 V CA -0.789 61.482 62.300 -0.048 0.000 0.894 192 V CB 2.131 33.887 31.823 -0.112 0.000 1.004 192 V HN 0.334 nan 8.190 nan 0.000 0.424 193 R N 5.132 125.611 120.500 -0.035 0.000 2.198 193 R HA 0.464 4.667 4.340 -0.228 0.000 0.339 193 R C -2.464 173.812 176.300 -0.041 0.000 1.020 193 R CA -1.568 54.517 56.100 -0.026 0.000 0.864 193 R CB 1.376 31.666 30.300 -0.018 0.000 1.105 193 R HN 0.466 nan 8.270 nan 0.000 0.463 194 P HA -0.072 nan 4.420 nan 0.000 0.266 194 P C -0.226 177.049 177.300 -0.043 0.000 1.193 194 P CA 0.032 63.104 63.100 -0.048 0.000 0.770 194 P CB 0.570 32.260 31.700 -0.018 0.000 0.836 195 L N 1.061 122.250 121.223 -0.057 0.000 2.483 195 L HA 0.179 4.382 4.340 -0.228 0.000 0.275 195 L C 1.054 177.904 176.870 -0.033 0.000 1.220 195 L CA -0.667 54.144 54.840 -0.048 0.000 0.833 195 L CB -0.100 41.921 42.059 -0.063 0.000 1.102 195 L HN 0.448 nan 8.230 nan 0.000 0.490 196 A N 4.110 126.915 122.820 -0.025 0.000 2.565 196 A HA 0.233 4.416 4.320 -0.228 0.000 0.237 196 A C -1.944 175.630 177.584 -0.017 0.000 1.053 196 A CA -0.860 51.167 52.037 -0.016 0.000 0.755 196 A CB -0.831 18.161 19.000 -0.013 0.000 0.980 196 A HN 0.503 nan 8.150 nan 0.000 0.506 197 P HA 0.276 nan 4.420 nan 0.000 0.270 197 P C -0.022 177.274 177.300 -0.006 0.000 1.223 197 P CA 0.104 63.202 63.100 -0.004 0.000 0.785 197 P CB 0.831 32.536 31.700 0.008 0.000 0.923 198 T N 0.384 114.934 114.554 -0.006 0.000 2.841 198 T HA 0.514 4.727 4.350 -0.228 0.000 0.296 198 T C -0.686 174.017 174.700 0.006 0.000 1.166 198 T CA -0.696 61.401 62.100 -0.006 0.000 1.007 198 T CB 1.409 70.263 68.868 -0.023 0.000 1.253 198 T HN 0.301 nan 8.240 nan 0.000 0.511 199 R N 0.523 121.032 120.500 0.014 0.000 2.892 199 R HA 0.701 4.904 4.340 -0.228 0.000 0.265 199 R C -0.869 175.449 176.300 0.030 0.000 1.025 199 R CA -0.887 55.234 56.100 0.034 0.000 0.982 199 R CB 1.583 31.915 30.300 0.052 0.000 1.185 199 R HN 0.371 nan 8.270 nan 0.000 0.484 200 V N 3.614 123.555 119.914 0.046 0.000 2.599 200 V HA -0.030 3.953 4.120 -0.228 0.000 0.300 200 V C 0.890 177.046 176.094 0.104 0.000 1.034 200 V CA 0.087 62.414 62.300 0.045 0.000 1.115 200 V CB -0.078 31.781 31.823 0.060 0.000 0.934 200 V HN 0.717 nan 8.190 nan 0.000 0.485 201 R N 3.753 124.314 120.500 0.101 0.000 2.697 201 R HA 0.043 4.246 4.340 -0.228 0.000 0.265 201 R C 0.849 177.316 176.300 0.280 0.000 1.009 201 R CA 0.336 56.529 56.100 0.156 0.000 1.099 201 R CB 0.056 30.446 30.300 0.151 0.000 0.965 201 R HN 0.598 nan 8.270 nan 0.000 0.428 202 S N 0.717 116.529 115.700 0.186 0.000 2.414 202 S HA 0.028 4.361 4.470 -0.228 0.000 0.227 202 S C 0.269 174.910 174.600 0.069 0.000 1.022 202 S CA 0.888 59.169 58.200 0.136 0.000 0.958 202 S CB 0.098 63.331 63.200 0.055 0.000 0.797 202 S HN 0.463 nan 8.310 nan 0.000 0.493 203 K N -0.190 120.278 120.400 0.114 0.000 2.512 203 K HA 0.591 4.773 4.320 -0.228 0.000 0.263 203 K C -0.033 176.680 176.600 0.188 0.000 0.966 203 K CA 0.084 56.391 56.287 0.034 0.000 0.851 203 K CB 1.853 34.350 32.500 -0.005 0.000 1.395 203 K HN 0.295 nan 8.250 nan 0.000 0.440 204 G N 1.818 110.726 108.800 0.181 0.000 2.661 204 G HA2 -0.134 3.689 3.960 -0.228 0.000 0.685 204 G HA3 -0.134 3.689 3.960 -0.228 0.000 0.685 204 G C -3.055 172.090 174.900 0.408 0.000 1.298 204 G CA -1.177 44.060 45.100 0.229 0.000 0.855 204 G HN 0.311 nan 8.290 nan 0.000 0.560 205 P HA 0.398 nan 4.420 nan 0.000 0.268 205 P C 0.165 177.551 177.300 0.143 0.000 1.204 205 P CA -0.414 62.839 63.100 0.254 0.000 0.768 205 P CB 0.706 32.503 31.700 0.162 0.000 0.842 206 L N 4.784 125.985 121.223 -0.036 0.000 2.410 206 L HA 0.131 4.334 4.340 -0.228 0.000 0.273 206 L C 0.776 177.600 176.870 -0.077 0.000 1.152 206 L CA 0.546 55.221 54.840 -0.274 0.000 0.855 206 L CB -0.054 41.640 42.059 -0.608 0.000 1.129 206 L HN 0.257 nan 8.230 nan 0.000 0.463 207 R N 4.158 124.624 120.500 -0.057 0.000 2.255 207 R HA 0.565 4.768 4.340 -0.228 0.000 0.326 207 R C -1.282 175.037 176.300 0.032 0.000 0.986 207 R CA -0.723 55.399 56.100 0.036 0.000 0.847 207 R CB 1.291 31.565 30.300 -0.044 0.000 1.111 207 R HN 0.352 nan 8.270 nan 0.000 0.452 208 V N 1.962 121.972 119.914 0.159 0.000 2.540 208 V HA 0.641 4.624 4.120 -0.228 0.000 0.302 208 V C 0.359 176.606 176.094 0.255 0.000 1.035 208 V CA -0.804 61.585 62.300 0.148 0.000 0.873 208 V CB 1.969 33.900 31.823 0.179 0.000 0.992 208 V HN 0.960 nan 8.190 nan 0.000 0.428 209 G N 2.839 111.721 108.800 0.136 0.000 2.519 209 G HA2 0.803 4.626 3.960 -0.228 0.000 0.307 209 G HA3 0.803 4.626 3.960 -0.228 0.000 0.307 209 G C -1.612 173.407 174.900 0.199 0.000 1.266 209 G CA -0.500 44.831 45.100 0.385 0.000 0.970 209 G HN 0.429 nan 8.290 nan 0.000 0.481 210 F N 0.724 121.058 119.950 0.641 0.000 2.562 210 F HA 0.441 4.830 4.527 -0.229 0.000 0.319 210 F C -0.049 176.204 175.800 0.755 0.000 1.154 210 F CA -0.991 57.435 58.000 0.710 0.000 0.931 210 F CB 2.706 42.133 39.000 0.712 0.000 1.198 210 F HN 0.230 nan 8.300 nan 0.000 0.444 211 V N 2.518 122.907 119.914 0.791 0.000 2.407 211 V HA 0.704 4.686 4.120 -0.228 0.000 0.278 211 V C -0.271 176.062 176.094 0.398 0.000 1.037 211 V CA -0.206 62.461 62.300 0.612 0.000 0.900 211 V CB 1.507 33.633 31.823 0.505 0.000 0.983 211 V HN 0.796 nan 8.190 nan 0.000 0.459 212 S N 2.806 118.606 115.700 0.166 0.000 2.543 212 S HA 0.303 4.636 4.470 -0.228 0.000 0.274 212 S C 0.295 174.715 174.600 -0.300 0.000 1.149 212 S CA -0.349 57.687 58.200 -0.275 0.000 0.866 212 S CB 1.322 63.982 63.200 -0.900 0.000 1.111 212 S HN 0.952 nan 8.310 nan 0.000 0.457 213 N N 1.773 120.336 118.700 -0.227 0.000 2.336 213 N HA 0.197 4.800 4.740 -0.228 0.000 0.189 213 N C 0.959 176.296 175.510 -0.287 0.000 1.113 213 N CA 0.214 53.154 53.050 -0.182 0.000 0.858 213 N CB 0.242 38.647 38.487 -0.137 0.000 0.970 213 N HN 0.486 nan 8.380 nan 0.000 0.471 214 G N -0.352 108.218 108.800 -0.383 0.000 3.707 214 G HA2 0.184 4.007 3.960 -0.228 0.000 0.286 214 G HA3 0.184 4.007 3.960 -0.228 0.000 0.286 214 G C -0.788 174.082 174.900 -0.050 0.000 1.112 214 G CA -0.513 44.436 45.100 -0.252 0.000 0.861 214 G HN 0.150 nan 8.290 nan 0.000 0.534 215 F N 2.065 122.072 119.950 0.096 0.000 2.619 215 F HA 0.556 4.947 4.527 -0.227 0.000 0.350 215 F C 1.112 176.971 175.800 0.098 0.000 1.259 215 F CA -0.292 57.754 58.000 0.076 0.000 1.204 215 F CB 0.536 39.553 39.000 0.029 0.000 1.556 215 F HN 0.261 nan 8.300 nan 0.000 0.650 216 G N 0.706 109.674 108.800 0.281 0.000 2.452 216 G HA2 0.405 4.228 3.960 -0.228 0.000 0.224 216 G HA3 0.405 4.228 3.960 -0.228 0.000 0.224 216 G C -1.134 173.787 174.900 0.034 0.000 1.208 216 G CA -0.299 44.898 45.100 0.161 0.000 0.946 216 G HN 0.412 nan 8.290 nan 0.000 0.481 217 A N 1.193 123.916 122.820 -0.161 0.000 3.030 217 A HA 0.590 4.773 4.320 -0.228 0.000 0.273 217 A C 0.159 177.345 177.584 -0.664 0.000 1.841 217 A CA 0.380 52.223 52.037 -0.324 0.000 1.479 217 A CB -1.327 17.509 19.000 -0.273 0.000 1.048 217 A HN 0.669 nan 8.150 nan 0.000 0.612 218 H N -0.442 118.602 119.070 -0.043 0.000 3.014 218 H HA 0.185 4.605 4.556 -0.227 0.000 0.337 218 H C -2.336 172.961 175.328 -0.053 0.000 1.320 218 H CA -1.554 54.470 56.048 -0.040 0.000 1.128 218 H CB 0.970 30.717 29.762 -0.025 0.000 1.862 218 H HN 0.055 nan 8.280 nan 0.000 0.536 219 P HA -0.177 nan 4.420 nan 0.000 0.216 219 P C 1.285 178.598 177.300 0.021 0.000 1.157 219 P CA 2.238 65.365 63.100 0.046 0.000 0.880 219 P CB 0.011 31.766 31.700 0.092 0.000 0.791 220 T N -1.248 113.327 114.554 0.033 0.000 2.708 220 T HA -0.102 4.110 4.350 -0.228 0.000 0.266 220 T C 2.023 176.763 174.700 0.067 0.000 1.037 220 T CA 1.801 63.905 62.100 0.006 0.000 1.146 220 T CB -1.341 67.492 68.868 -0.057 0.000 0.865 220 T HN 0.209 nan 8.240 nan 0.000 0.435 221 G N 1.124 109.995 108.800 0.117 0.000 2.408 221 G HA2 -0.116 3.707 3.960 -0.228 0.000 0.217 221 G HA3 -0.116 3.707 3.960 -0.228 0.000 0.217 221 G C 1.516 176.447 174.900 0.052 0.000 1.150 221 G CA 0.563 45.773 45.100 0.183 0.000 0.776 221 G HN 0.415 nan 8.290 nan 0.000 0.542 222 L N 0.060 121.267 121.223 -0.026 0.000 2.141 222 L HA 0.222 4.425 4.340 -0.228 0.000 0.209 222 L C 2.514 179.308 176.870 -0.126 0.000 1.094 222 L CA 1.199 55.969 54.840 -0.116 0.000 0.763 222 L CB -0.118 41.825 42.059 -0.193 0.000 0.908 222 L HN 0.180 nan 8.230 nan 0.000 0.437 223 L N -1.441 119.712 121.223 -0.117 0.000 2.249 223 L HA -0.033 4.170 4.340 -0.228 0.000 0.207 223 L C 2.163 178.881 176.870 -0.253 0.000 1.090 223 L CA 1.273 56.001 54.840 -0.188 0.000 0.802 223 L CB -0.636 41.303 42.059 -0.199 0.000 0.947 223 L HN 0.419 nan 8.230 nan 0.000 0.453 224 T N -4.614 109.834 114.554 -0.177 0.000 3.044 224 T HA -0.004 4.208 4.350 -0.228 0.000 0.250 224 T C 1.709 176.289 174.700 -0.199 0.000 1.081 224 T CA 0.405 62.336 62.100 -0.281 0.000 1.040 224 T CB 0.048 68.836 68.868 -0.134 0.000 0.962 224 T HN 0.040 nan 8.240 nan 0.000 0.506 225 V N 2.126 122.015 119.914 -0.041 0.000 2.255 225 V HA -0.050 3.933 4.120 -0.228 0.000 0.247 225 V C 2.935 178.993 176.094 -0.060 0.000 1.051 225 V CA 2.241 64.555 62.300 0.024 0.000 1.018 225 V CB -1.211 30.609 31.823 -0.006 0.000 0.641 225 V HN 0.622 nan 8.190 nan 0.000 0.445 226 A N -0.541 122.191 122.820 -0.146 0.000 1.969 226 A HA -0.137 4.046 4.320 -0.228 0.000 0.218 226 A C 2.096 179.567 177.584 -0.188 0.000 1.169 226 A CA 1.918 53.864 52.037 -0.152 0.000 0.635 226 A CB -0.671 18.218 19.000 -0.185 0.000 0.810 226 A HN 0.605 nan 8.150 nan 0.000 0.445 227 L N -1.302 119.729 121.223 -0.321 0.000 2.017 227 L HA -0.081 4.122 4.340 -0.228 0.000 0.208 227 L C 2.118 178.783 176.870 -0.342 0.000 1.073 227 L CA 2.037 56.622 54.840 -0.426 0.000 0.745 227 L CB -0.864 40.767 42.059 -0.714 0.000 0.894 227 L HN 0.331 nan 8.230 nan 0.000 0.432 228 F N 0.411 120.240 119.950 -0.202 0.000 2.171 228 F HA -0.143 4.247 4.527 -0.229 0.000 0.300 228 F C 2.484 178.210 175.800 -0.124 0.000 1.090 228 F CA 1.509 59.399 58.000 -0.183 0.000 1.293 228 F CB -0.750 38.106 39.000 -0.240 0.000 1.013 228 F HN 0.210 nan 8.300 nan 0.000 0.486 229 E N 0.008 120.237 120.200 0.049 0.000 2.085 229 E HA -0.227 3.986 4.350 -0.228 0.000 0.194 229 E C 2.404 179.005 176.600 0.000 0.000 0.994 229 E CA 1.193 57.597 56.400 0.007 0.000 0.801 229 E CB -0.342 29.347 29.700 -0.018 0.000 0.743 229 E HN 0.363 nan 8.360 nan 0.000 0.453 230 A N 0.688 123.497 122.820 -0.019 0.000 1.969 230 A HA -0.117 4.066 4.320 -0.228 0.000 0.218 230 A C 2.124 179.725 177.584 0.028 0.000 1.169 230 A CA 0.863 52.899 52.037 -0.001 0.000 0.635 230 A CB -0.435 18.559 19.000 -0.010 0.000 0.810 230 A HN 0.133 nan 8.150 nan 0.000 0.445 231 L N -0.976 120.270 121.223 0.038 0.000 2.093 231 L HA -0.212 3.991 4.340 -0.228 0.000 0.208 231 L C 2.860 179.776 176.870 0.076 0.000 1.085 231 L CA 1.649 56.539 54.840 0.084 0.000 0.755 231 L CB -0.435 41.702 42.059 0.128 0.000 0.904 231 L HN 0.571 nan 8.230 nan 0.000 0.435 232 Q N 0.326 120.162 119.800 0.060 0.000 2.084 232 Q HA -0.226 3.976 4.340 -0.228 0.000 0.202 232 Q C 2.322 178.339 176.000 0.029 0.000 0.978 232 Q CA 1.637 57.462 55.803 0.036 0.000 0.844 232 Q CB 0.107 28.852 28.738 0.012 0.000 0.898 232 Q HN 0.440 nan 8.270 nan 0.000 0.426 233 R N -0.692 119.824 120.500 0.026 0.000 2.119 233 R HA -0.004 4.199 4.340 -0.228 0.000 0.222 233 R C 2.140 178.460 176.300 0.032 0.000 1.088 233 R CA 1.205 57.318 56.100 0.023 0.000 0.984 233 R CB 0.087 30.397 30.300 0.016 0.000 0.884 233 R HN 0.176 nan 8.270 nan 0.000 0.447 234 R N -0.519 120.007 120.500 0.043 0.000 2.279 234 R HA 0.137 4.340 4.340 -0.228 0.000 0.195 234 R C 0.281 176.618 176.300 0.061 0.000 0.905 234 R CA 0.226 56.356 56.100 0.050 0.000 1.044 234 R CB 0.666 30.997 30.300 0.053 0.000 1.056 234 R HN 0.006 nan 8.270 nan 0.000 0.535 235 Q N 1.080 120.923 119.800 0.072 0.000 2.849 235 Q HA 0.193 4.396 4.340 -0.228 0.000 0.289 235 Q C -2.077 173.971 176.000 0.081 0.000 1.012 235 Q CA -1.562 54.291 55.803 0.083 0.000 0.899 235 Q CB 1.645 30.445 28.738 0.102 0.000 1.235 235 Q HN 0.109 nan 8.270 nan 0.000 0.457 236 P HA -0.116 nan 4.420 nan 0.000 0.220 236 P C 0.227 177.576 177.300 0.082 0.000 1.148 236 P CA 0.959 64.098 63.100 0.065 0.000 0.803 236 P CB 0.531 32.265 31.700 0.056 0.000 0.782 237 D N -0.325 120.136 120.400 0.102 0.000 2.363 237 D HA 0.068 4.571 4.640 -0.228 0.000 0.220 237 D C 0.782 177.155 176.300 0.121 0.000 0.994 237 D CA 0.536 54.618 54.000 0.137 0.000 0.890 237 D CB -0.000 40.914 40.800 0.191 0.000 0.906 237 D HN 0.287 nan 8.370 nan 0.000 0.530 238 L N 0.802 122.080 121.223 0.092 0.000 2.322 238 L HA 0.368 4.570 4.340 -0.228 0.000 0.281 238 L C 0.191 177.124 176.870 0.103 0.000 1.014 238 L CA -0.591 54.294 54.840 0.076 0.000 0.815 238 L CB 1.985 44.090 42.059 0.077 0.000 1.247 238 L HN -0.342 nan 8.230 nan 0.000 0.421 239 Q N 3.674 123.547 119.800 0.123 0.000 2.368 239 Q HA 0.433 4.636 4.340 -0.228 0.000 0.256 239 Q C -0.902 175.224 176.000 0.209 0.000 0.980 239 Q CA -0.626 55.257 55.803 0.134 0.000 0.887 239 Q CB 1.431 30.295 28.738 0.211 0.000 1.221 239 Q HN 0.481 nan 8.270 nan 0.000 0.458 240 M N 3.356 123.019 119.600 0.105 0.000 2.144 240 M HA 0.318 4.661 4.480 -0.228 0.000 0.356 240 M C -0.579 175.685 176.300 -0.061 0.000 1.217 240 M CA -0.065 55.347 55.300 0.186 0.000 1.087 240 M CB 0.838 33.537 32.600 0.165 0.000 1.609 240 M HN 0.483 nan 8.290 nan 0.000 0.467 241 H N 3.445 122.582 119.070 0.112 0.000 2.547 241 H HA 0.446 4.864 4.556 -0.229 0.000 0.342 241 H C -1.158 174.105 175.328 -0.108 0.000 1.048 241 H CA -0.830 55.179 56.048 -0.065 0.000 1.204 241 H CB 2.230 31.948 29.762 -0.074 0.000 1.493 241 H HN 0.388 nan 8.280 nan 0.000 0.511 242 L N 3.919 124.984 121.223 -0.264 0.000 2.282 242 L HA 0.266 4.469 4.340 -0.228 0.000 0.288 242 L C -0.554 176.189 176.870 -0.211 0.000 1.033 242 L CA -0.252 54.403 54.840 -0.310 0.000 0.807 242 L CB 0.367 41.912 42.059 -0.857 0.000 1.209 242 L HN 0.454 nan 8.230 nan 0.000 0.423 243 F N 3.099 123.275 119.950 0.377 0.000 2.293 243 F HA 0.578 4.968 4.527 -0.229 0.000 0.370 243 F C 0.639 176.718 175.800 0.465 0.000 1.090 243 F CA -0.666 57.549 58.000 0.359 0.000 1.133 243 F CB 0.919 40.068 39.000 0.248 0.000 1.360 243 F HN 0.521 nan 8.300 nan 0.000 0.489 244 A N 1.586 124.705 122.820 0.498 0.000 2.309 244 A HA 0.449 4.632 4.320 -0.228 0.000 0.290 244 A C 0.952 178.710 177.584 0.289 0.000 1.206 244 A CA -0.314 52.022 52.037 0.498 0.000 0.850 244 A CB 0.043 19.279 19.000 0.394 0.000 1.118 244 A HN 0.775 nan 8.150 nan 0.000 0.523 245 T N -0.603 114.072 114.554 0.201 0.000 3.206 245 T HA 0.352 4.565 4.350 -0.228 0.000 0.253 245 T C 0.408 175.148 174.700 0.068 0.000 1.042 245 T CA 0.332 62.503 62.100 0.119 0.000 0.931 245 T CB -0.854 68.069 68.868 0.091 0.000 1.029 245 T HN 1.066 nan 8.240 nan 0.000 0.564 246 S N -0.611 115.138 115.700 0.082 0.000 2.549 246 S HA 0.791 5.124 4.470 -0.228 0.000 0.280 246 S C 0.320 174.968 174.600 0.080 0.000 1.109 246 S CA -0.737 57.496 58.200 0.056 0.000 0.905 246 S CB 1.459 64.676 63.200 0.027 0.000 1.081 246 S HN 0.398 nan 8.310 nan 0.000 0.477 247 G N 0.400 109.235 108.800 0.059 0.000 2.611 247 G HA2 0.354 4.177 3.960 -0.228 0.000 0.273 247 G HA3 0.354 4.177 3.960 -0.228 0.000 0.273 247 G C -0.626 174.311 174.900 0.062 0.000 1.305 247 G CA -0.377 44.754 45.100 0.053 0.000 1.010 247 G HN 0.803 nan 8.290 nan 0.000 0.509 248 D N -0.537 119.889 120.400 0.044 0.000 2.348 248 D HA 0.096 4.599 4.640 -0.228 0.000 0.253 248 D C 0.519 176.843 176.300 0.040 0.000 1.161 248 D CA -0.529 53.495 54.000 0.041 0.000 0.876 248 D CB 1.286 42.097 40.800 0.019 0.000 1.160 248 D HN 0.311 nan 8.370 nan 0.000 0.459 249 D N 2.348 122.778 120.400 0.049 0.000 2.340 249 D HA 0.143 4.646 4.640 -0.228 0.000 0.217 249 D C 1.389 177.698 176.300 0.016 0.000 1.081 249 D CA 0.299 54.322 54.000 0.039 0.000 0.842 249 D CB -0.127 40.707 40.800 0.056 0.000 0.934 249 D HN 0.599 nan 8.370 nan 0.000 0.511 250 G N 0.420 109.228 108.800 0.012 0.000 2.179 250 G HA2 -0.296 3.527 3.960 -0.228 0.000 0.260 250 G HA3 -0.296 3.527 3.960 -0.228 0.000 0.260 250 G C 0.399 175.299 174.900 0.001 0.000 0.977 250 G CA 0.507 45.610 45.100 0.005 0.000 0.641 250 G HN 0.843 nan 8.290 nan 0.000 0.533 251 S N -0.125 115.575 115.700 0.000 0.000 2.601 251 S HA 0.552 4.885 4.470 -0.228 0.000 0.271 251 S C 1.705 176.304 174.600 -0.002 0.000 1.305 251 S CA 0.835 59.032 58.200 -0.005 0.000 1.022 251 S CB 1.504 64.692 63.200 -0.019 0.000 0.940 251 S HN 1.246 nan 8.310 nan 0.000 0.525 252 T N 0.949 115.503 114.554 -0.000 0.000 2.833 252 T HA -0.109 4.104 4.350 -0.228 0.000 0.269 252 T C 1.705 176.401 174.700 -0.007 0.000 1.054 252 T CA 1.126 63.224 62.100 -0.002 0.000 1.135 252 T CB -0.805 68.066 68.868 0.005 0.000 0.869 252 T HN 0.532 nan 8.240 nan 0.000 0.466 253 L N 0.590 121.809 121.223 -0.006 0.000 1.989 253 L HA -0.094 4.108 4.340 -0.228 0.000 0.211 253 L C 3.138 180.011 176.870 0.005 0.000 1.071 253 L CA 1.734 56.571 54.840 -0.004 0.000 0.749 253 L CB -0.492 41.561 42.059 -0.009 0.000 0.890 253 L HN 0.222 nan 8.230 nan 0.000 0.431 254 R N -0.236 120.274 120.500 0.017 0.000 2.105 254 R HA -0.145 4.058 4.340 -0.228 0.000 0.239 254 R C 2.103 178.388 176.300 -0.025 0.000 1.135 254 R CA 2.228 58.341 56.100 0.021 0.000 0.967 254 R CB -0.929 29.396 30.300 0.040 0.000 0.861 254 R HN 0.214 nan 8.270 nan 0.000 0.442 255 T N 0.066 114.604 114.554 -0.026 0.000 2.857 255 T HA 0.035 4.248 4.350 -0.228 0.000 0.266 255 T C 1.729 176.395 174.700 -0.057 0.000 1.048 255 T CA 1.199 63.274 62.100 -0.041 0.000 1.139 255 T CB -0.092 68.759 68.868 -0.028 0.000 0.874 255 T HN 0.290 nan 8.240 nan 0.000 0.455 256 R N 0.449 120.921 120.500 -0.047 0.000 2.075 256 R HA 0.113 4.316 4.340 -0.228 0.000 0.232 256 R C 2.405 178.654 176.300 -0.084 0.000 1.126 256 R CA 0.941 57.009 56.100 -0.053 0.000 0.963 256 R CB -0.438 29.841 30.300 -0.034 0.000 0.858 256 R HN 0.331 nan 8.270 nan 0.000 0.435 257 L N 0.058 121.221 121.223 -0.101 0.000 2.079 257 L HA -0.180 4.023 4.340 -0.228 0.000 0.210 257 L C 2.590 179.299 176.870 -0.268 0.000 1.081 257 L CA 1.306 56.026 54.840 -0.201 0.000 0.752 257 L CB -0.524 41.394 42.059 -0.234 0.000 0.896 257 L HN 0.275 nan 8.230 nan 0.000 0.433 258 A N -0.851 121.848 122.820 -0.202 0.000 1.968 258 A HA -0.223 3.960 4.320 -0.228 0.000 0.217 258 A C 2.192 179.664 177.584 -0.187 0.000 1.169 258 A CA 1.323 53.234 52.037 -0.210 0.000 0.638 258 A CB -0.336 18.576 19.000 -0.148 0.000 0.812 258 A HN 0.342 nan 8.150 nan 0.000 0.446 259 Q N -0.599 119.117 119.800 -0.140 0.000 2.230 259 Q HA 0.154 4.357 4.340 -0.228 0.000 0.202 259 Q C 1.593 177.522 176.000 -0.118 0.000 0.963 259 Q CA 1.347 57.083 55.803 -0.111 0.000 0.866 259 Q CB -0.291 28.400 28.738 -0.078 0.000 0.931 259 Q HN 0.571 nan 8.270 nan 0.000 0.452 260 A N -0.799 121.938 122.820 -0.138 0.000 2.415 260 A HA 0.454 4.637 4.320 -0.228 0.000 0.248 260 A C 0.097 177.570 177.584 -0.184 0.000 1.299 260 A CA 0.425 52.392 52.037 -0.117 0.000 0.899 260 A CB -0.029 18.936 19.000 -0.059 0.000 0.997 260 A HN 0.305 nan 8.150 nan 0.000 0.506 261 S N -2.367 113.178 115.700 -0.259 0.000 2.724 261 S HA 0.499 4.831 4.470 -0.228 0.000 0.278 261 S C -0.677 173.708 174.600 -0.358 0.000 1.190 261 S CA -0.462 57.538 58.200 -0.334 0.000 0.860 261 S CB 0.742 63.633 63.200 -0.515 0.000 1.206 261 S HN 0.026 nan 8.310 nan 0.000 0.507 262 T N 1.810 116.090 114.554 -0.457 0.000 2.801 262 T HA 0.533 4.746 4.350 -0.228 0.000 0.306 262 T C -0.634 173.731 174.700 -0.558 0.000 1.020 262 T CA -0.307 61.481 62.100 -0.520 0.000 0.948 262 T CB 0.203 68.681 68.868 -0.649 0.000 0.962 262 T HN 0.573 nan 8.240 nan 0.000 0.465 263 L N 5.252 126.177 121.223 -0.497 0.000 2.275 263 L HA 0.448 4.651 4.340 -0.228 0.000 0.288 263 L C -0.354 176.261 176.870 -0.425 0.000 1.046 263 L CA -0.617 53.977 54.840 -0.411 0.000 0.805 263 L CB 0.465 42.329 42.059 -0.325 0.000 1.193 263 L HN 0.635 nan 8.230 nan 0.000 0.426 264 H N 3.651 122.571 119.070 -0.251 0.000 2.541 264 H HA 0.170 4.589 4.556 -0.229 0.000 0.316 264 H C -1.127 174.225 175.328 0.041 0.000 1.043 264 H CA -0.790 55.217 56.048 -0.069 0.000 1.232 264 H CB 1.615 31.359 29.762 -0.031 0.000 1.406 264 H HN 0.547 nan 8.280 nan 0.000 0.469 265 D N 4.151 124.623 120.400 0.119 0.000 2.352 265 D HA 0.027 4.530 4.640 -0.228 0.000 0.245 265 D C 0.847 177.217 176.300 0.116 0.000 1.224 265 D CA -0.216 53.849 54.000 0.108 0.000 0.879 265 D CB 0.762 41.592 40.800 0.050 0.000 1.057 265 D HN 0.433 nan 8.370 nan 0.000 0.491 266 V N 1.417 121.430 119.914 0.165 0.000 3.121 266 V HA 0.274 4.256 4.120 -0.228 0.000 0.344 266 V C 0.667 176.806 176.094 0.076 0.000 1.390 266 V CA -0.529 61.844 62.300 0.122 0.000 1.177 266 V CB -0.287 31.665 31.823 0.214 0.000 1.163 266 V HN 0.285 nan 8.190 nan 0.000 0.484 267 T N 2.272 116.866 114.554 0.067 0.000 2.916 267 T HA 0.525 4.738 4.350 -0.228 0.000 0.303 267 T C 1.187 175.891 174.700 0.006 0.000 1.025 267 T CA 1.112 63.234 62.100 0.037 0.000 1.142 267 T CB 1.111 70.002 68.868 0.038 0.000 0.947 267 T HN 1.555 nan 8.240 nan 0.000 0.544 268 A N 2.758 125.569 122.820 -0.015 0.000 3.624 268 A HA -0.111 4.072 4.320 -0.228 0.000 0.225 268 A C 0.371 177.927 177.584 -0.047 0.000 0.899 268 A CA -0.059 51.959 52.037 -0.032 0.000 1.848 268 A CB -2.030 16.955 19.000 -0.025 0.000 0.804 268 A HN 0.634 nan 8.150 nan 0.000 0.720 269 L N 0.987 122.185 121.223 -0.042 0.000 2.349 269 L HA 0.552 4.755 4.340 -0.228 0.000 0.275 269 L C 1.494 178.310 176.870 -0.091 0.000 1.115 269 L CA -0.008 54.799 54.840 -0.056 0.000 0.820 269 L CB 0.920 42.955 42.059 -0.039 0.000 1.135 269 L HN 0.559 nan 8.230 nan 0.000 0.445 270 G N 0.462 109.193 108.800 -0.114 0.000 2.647 270 G HA2 -0.013 3.810 3.960 -0.228 0.000 0.271 270 G HA3 -0.013 3.810 3.960 -0.228 0.000 0.271 270 G C 0.637 175.437 174.900 -0.167 0.000 1.300 270 G CA -0.057 44.922 45.100 -0.202 0.000 0.997 270 G HN 0.840 nan 8.290 nan 0.000 0.533 271 H N -0.933 118.111 119.070 -0.043 0.000 2.321 271 H HA -0.099 4.317 4.556 -0.233 0.000 0.300 271 H C 2.382 177.658 175.328 -0.087 0.000 1.087 271 H CA 1.271 57.278 56.048 -0.069 0.000 1.319 271 H CB -0.052 29.663 29.762 -0.079 0.000 1.379 271 H HN 0.244 nan 8.280 nan 0.000 0.501 272 L N 1.041 122.300 121.223 0.059 0.000 2.012 272 L HA -0.116 4.087 4.340 -0.228 0.000 0.210 272 L C 2.359 179.215 176.870 -0.023 0.000 1.073 272 L CA 1.901 56.739 54.840 -0.002 0.000 0.748 272 L CB -0.958 41.099 42.059 -0.004 0.000 0.891 272 L HN 0.267 nan 8.230 nan 0.000 0.431 273 A N -1.861 120.945 122.820 -0.023 0.000 1.969 273 A HA -0.147 4.036 4.320 -0.228 0.000 0.218 273 A C 2.209 179.793 177.584 -0.000 0.000 1.169 273 A CA 2.002 54.027 52.037 -0.019 0.000 0.635 273 A CB -1.065 17.915 19.000 -0.034 0.000 0.810 273 A HN 0.529 nan 8.150 nan 0.000 0.445 274 T N 0.325 114.871 114.554 -0.013 0.000 2.737 274 T HA 0.008 4.221 4.350 -0.228 0.000 0.265 274 T C 2.261 176.910 174.700 -0.085 0.000 1.038 274 T CA 1.507 63.601 62.100 -0.010 0.000 1.144 274 T CB -0.441 68.415 68.868 -0.020 0.000 0.866 274 T HN 0.574 nan 8.240 nan 0.000 0.434 275 A N 1.850 124.597 122.820 -0.122 0.000 1.902 275 A HA -0.115 4.068 4.320 -0.228 0.000 0.217 275 A C 2.255 179.756 177.584 -0.138 0.000 1.181 275 A CA 1.513 53.433 52.037 -0.196 0.000 0.623 275 A CB -0.456 18.433 19.000 -0.185 0.000 0.818 275 A HN 0.439 nan 8.150 nan 0.000 0.443 276 K N -1.551 118.813 120.400 -0.061 0.000 2.147 276 K HA -0.199 3.984 4.320 -0.228 0.000 0.205 276 K C 2.039 178.662 176.600 0.038 0.000 1.049 276 K CA 1.596 57.870 56.287 -0.020 0.000 0.936 276 K CB -0.272 32.225 32.500 -0.005 0.000 0.722 276 K HN 0.682 nan 8.250 nan 0.000 0.446 277 H N 0.818 119.864 119.070 -0.041 0.000 2.395 277 H HA 0.052 4.472 4.556 -0.228 0.000 0.299 277 H C 1.714 177.090 175.328 0.080 0.000 1.070 277 H CA 1.201 57.285 56.048 0.060 0.000 1.356 277 H CB 0.034 29.873 29.762 0.128 0.000 1.401 277 H HN 0.071 nan 8.280 nan 0.000 0.524 278 I N -0.321 120.122 120.570 -0.212 0.000 2.202 278 I HA -0.230 3.803 4.170 -0.228 0.000 0.242 278 I C 2.578 178.562 176.117 -0.222 0.000 1.091 278 I CA 1.297 62.319 61.300 -0.464 0.000 1.368 278 I CB -0.172 37.408 38.000 -0.699 0.000 1.058 278 I HN 0.150 nan 8.210 nan 0.000 0.410 279 R N 0.483 120.883 120.500 -0.167 0.000 2.081 279 R HA -0.241 3.961 4.340 -0.228 0.000 0.235 279 R C 2.452 178.698 176.300 -0.091 0.000 1.131 279 R CA 1.707 57.738 56.100 -0.115 0.000 0.960 279 R CB -0.981 29.266 30.300 -0.088 0.000 0.856 279 R HN 0.440 nan 8.270 nan 0.000 0.436 280 H N -0.904 118.057 119.070 -0.181 0.000 2.390 280 H HA -0.169 4.250 4.556 -0.228 0.000 0.298 280 H C 0.705 175.830 175.328 -0.338 0.000 1.106 280 H CA 1.882 57.780 56.048 -0.250 0.000 1.297 280 H CB 0.099 29.684 29.762 -0.294 0.000 1.375 280 H HN 0.429 nan 8.280 nan 0.000 0.509 281 H N -0.815 118.098 119.070 -0.262 0.000 2.539 281 H HA 0.092 4.511 4.556 -0.229 0.000 0.269 281 H C 1.224 176.404 175.328 -0.248 0.000 0.980 281 H CA 0.653 56.529 56.048 -0.287 0.000 1.152 281 H CB 0.338 29.943 29.762 -0.260 0.000 1.407 281 H HN 0.614 nan 8.280 nan 0.000 0.564 282 G N 1.946 110.671 108.800 -0.125 0.000 2.249 282 G HA2 -0.270 3.552 3.960 -0.228 0.000 0.273 282 G HA3 -0.270 3.552 3.960 -0.228 0.000 0.273 282 G C 0.286 175.127 174.900 -0.099 0.000 1.036 282 G CA -0.043 44.993 45.100 -0.105 0.000 0.824 282 G HN 0.222 nan 8.290 nan 0.000 0.504 283 I N 0.789 121.291 120.570 -0.113 0.000 2.906 283 I HA -0.029 4.004 4.170 -0.228 0.000 0.301 283 I C 1.240 177.302 176.117 -0.092 0.000 1.221 283 I CA 0.346 61.585 61.300 -0.102 0.000 1.435 283 I CB 0.158 38.104 38.000 -0.090 0.000 1.345 283 I HN 0.239 nan 8.210 nan 0.000 0.558 284 D N 5.857 126.203 120.400 -0.090 0.000 2.197 284 D HA 0.106 4.609 4.640 -0.228 0.000 0.212 284 D C 0.512 176.741 176.300 -0.118 0.000 0.963 284 D CA 1.035 54.969 54.000 -0.110 0.000 0.864 284 D CB 0.476 41.180 40.800 -0.160 0.000 1.009 284 D HN 0.347 nan 8.370 nan 0.000 0.479 285 L N 1.585 122.751 121.223 -0.096 0.000 2.325 285 L HA 0.426 4.629 4.340 -0.228 0.000 0.281 285 L C -0.926 175.940 176.870 -0.006 0.000 1.004 285 L CA -0.809 53.980 54.840 -0.084 0.000 0.823 285 L CB 2.401 44.419 42.059 -0.068 0.000 1.236 285 L HN -0.114 nan 8.230 nan 0.000 0.415 286 L N 3.373 124.580 121.223 -0.027 0.000 2.313 286 L HA 0.588 4.791 4.340 -0.228 0.000 0.283 286 L C -1.178 175.784 176.870 0.153 0.000 1.013 286 L CA 0.143 55.033 54.840 0.083 0.000 0.816 286 L CB 1.331 43.396 42.059 0.009 0.000 1.236 286 L HN 0.241 nan 8.230 nan 0.000 0.419 287 F N 2.956 122.983 119.950 0.128 0.000 2.436 287 F HA 0.322 4.712 4.527 -0.229 0.000 0.340 287 F C 0.133 176.197 175.800 0.440 0.000 1.113 287 F CA -0.529 57.625 58.000 0.256 0.000 1.022 287 F CB 1.469 40.580 39.000 0.185 0.000 1.128 287 F HN 0.444 nan 8.300 nan 0.000 0.466 288 D N 5.104 125.701 120.400 0.329 0.000 2.411 288 D HA 0.210 4.713 4.640 -0.228 0.000 0.225 288 D C -0.285 176.153 176.300 0.231 0.000 1.156 288 D CA 0.043 54.043 54.000 -0.000 0.000 0.874 288 D CB 0.527 40.811 40.800 -0.860 0.000 1.034 288 D HN 0.495 nan 8.370 nan 0.000 0.502 289 L N 4.384 125.811 121.223 0.340 0.000 3.084 289 L HA 0.346 4.549 4.340 -0.228 0.000 0.238 289 L C 1.611 178.552 176.870 0.118 0.000 1.327 289 L CA -0.254 54.748 54.840 0.270 0.000 1.094 289 L CB 0.194 42.463 42.059 0.349 0.000 1.477 289 L HN 0.202 nan 8.230 nan 0.000 0.514 290 R N -0.265 120.289 120.500 0.090 0.000 2.056 290 R HA 0.202 4.405 4.340 -0.228 0.000 0.215 290 R C 1.887 178.231 176.300 0.074 0.000 1.205 290 R CA 0.969 57.095 56.100 0.043 0.000 1.020 290 R CB -0.073 30.240 30.300 0.022 0.000 0.911 290 R HN 0.380 nan 8.270 nan 0.000 0.451 291 G N -1.131 107.752 108.800 0.138 0.000 2.732 291 G HA2 -0.093 3.730 3.960 -0.228 0.000 0.206 291 G HA3 -0.093 3.730 3.960 -0.228 0.000 0.206 291 G C 0.444 175.281 174.900 -0.104 0.000 1.253 291 G CA -0.390 44.722 45.100 0.021 0.000 0.796 291 G HN 0.263 nan 8.290 nan 0.000 0.616 292 W N 1.443 122.679 121.300 -0.106 0.000 3.353 292 W HA 0.421 4.941 4.660 -0.234 0.000 0.304 292 W C 1.841 178.357 176.519 -0.005 0.000 1.273 292 W CA 0.165 57.392 57.345 -0.197 0.000 1.773 292 W CB 1.048 30.118 29.460 -0.649 0.000 1.095 292 W HN 0.315 nan 8.180 nan 0.000 0.676 293 G N -0.872 108.055 108.800 0.212 0.000 2.945 293 G HA2 0.186 4.009 3.960 -0.228 0.000 0.225 293 G HA3 0.186 4.009 3.960 -0.228 0.000 0.225 293 G C 0.921 175.704 174.900 -0.196 0.000 1.046 293 G CA 0.354 45.390 45.100 -0.106 0.000 0.842 293 G HN 0.192 nan 8.290 nan 0.000 0.543 294 G N 0.599 109.360 108.800 -0.064 0.000 2.803 294 G HA2 0.365 4.188 3.960 -0.228 0.000 0.177 294 G HA3 0.365 4.188 3.960 -0.228 0.000 0.177 294 G C 1.470 176.364 174.900 -0.009 0.000 1.629 294 G CA 0.618 45.679 45.100 -0.065 0.000 1.077 294 G HN 0.313 nan 8.290 nan 0.000 0.556 295 G N -1.350 107.456 108.800 0.010 0.000 2.408 295 G HA2 0.355 4.178 3.960 -0.228 0.000 0.217 295 G HA3 0.355 4.178 3.960 -0.228 0.000 0.217 295 G C 1.043 175.994 174.900 0.085 0.000 1.150 295 G CA 1.510 46.641 45.100 0.051 0.000 0.776 295 G HN 1.846 nan 8.290 nan 0.000 0.542 296 G N -1.234 107.609 108.800 0.071 0.000 1.781 296 G HA2 0.100 3.923 3.960 -0.228 0.000 0.082 296 G HA3 0.100 3.923 3.960 -0.228 0.000 0.082 296 G C 0.326 175.272 174.900 0.076 0.000 0.919 296 G CA 0.373 45.520 45.100 0.080 0.000 1.202 296 G HN 0.725 nan 8.290 nan 0.000 0.393 297 R N -0.289 120.279 120.500 0.113 0.000 3.739 297 R HA -0.107 4.096 4.340 -0.228 0.000 0.338 297 R C -1.323 174.989 176.300 0.020 0.000 1.151 297 R CA 1.603 57.782 56.100 0.133 0.000 0.873 297 R CB -2.418 27.972 30.300 0.150 0.000 1.455 297 R HN 0.537 nan 8.270 nan 0.000 0.502 298 P HA -0.104 nan 4.420 nan 0.000 0.217 298 P C 0.992 178.054 177.300 -0.395 0.000 1.154 298 P CA 1.203 64.155 63.100 -0.247 0.000 0.841 298 P CB 0.046 31.577 31.700 -0.283 0.000 0.788 299 E N 0.352 120.273 120.200 -0.465 0.000 2.338 299 E HA -0.069 4.144 4.350 -0.228 0.000 0.197 299 E C 1.982 178.314 176.600 -0.447 0.000 1.007 299 E CA 0.740 56.806 56.400 -0.557 0.000 0.849 299 E CB -1.558 27.794 29.700 -0.579 0.000 0.774 299 E HN 0.095 nan 8.360 nan 0.000 0.506 300 V N 0.674 120.415 119.914 -0.288 0.000 2.392 300 V HA -0.245 3.738 4.120 -0.228 0.000 0.249 300 V C 2.014 177.833 176.094 -0.458 0.000 1.059 300 V CA 1.841 63.978 62.300 -0.272 0.000 1.051 300 V CB -0.711 30.997 31.823 -0.191 0.000 0.658 300 V HN 0.113 nan 8.190 nan 0.000 0.455 301 F N 0.291 119.954 119.950 -0.479 0.000 2.270 301 F HA 0.108 4.496 4.527 -0.231 0.000 0.295 301 F C 2.395 177.584 175.800 -1.018 0.000 1.087 301 F CA 0.964 58.617 58.000 -0.578 0.000 1.365 301 F CB -0.816 37.960 39.000 -0.374 0.000 1.056 301 F HN 0.063 nan 8.300 nan 0.000 0.506 302 A N 0.067 122.074 122.820 -1.355 0.000 2.024 302 A HA -0.153 4.030 4.320 -0.228 0.000 0.220 302 A C 2.054 179.346 177.584 -0.487 0.000 1.164 302 A CA 1.302 52.571 52.037 -1.279 0.000 0.643 302 A CB -1.093 17.177 19.000 -1.216 0.000 0.806 302 A HN 0.433 nan 8.150 nan 0.000 0.451 303 L N -1.167 119.818 121.223 -0.397 0.000 2.552 303 L HA 0.010 4.213 4.340 -0.228 0.000 0.227 303 L C 0.323 177.085 176.870 -0.179 0.000 1.146 303 L CA -0.160 54.538 54.840 -0.236 0.000 0.858 303 L CB -0.188 41.744 42.059 -0.212 0.000 0.969 303 L HN 0.336 nan 8.230 nan 0.000 0.451 304 R N -1.067 119.322 120.500 -0.184 0.000 3.188 304 R HA -0.161 4.042 4.340 -0.228 0.000 0.247 304 R C -1.864 174.359 176.300 -0.129 0.000 0.918 304 R CA 0.457 56.497 56.100 -0.100 0.000 0.629 304 R CB -1.624 28.664 30.300 -0.021 0.000 1.087 304 R HN 0.306 nan 8.270 nan 0.000 0.462 305 P HA 0.008 nan 4.420 nan 0.000 0.229 305 P C 0.179 177.376 177.300 -0.172 0.000 1.160 305 P CA 1.127 64.109 63.100 -0.198 0.000 0.777 305 P CB 0.507 32.037 31.700 -0.283 0.000 0.814 306 A N 0.656 123.381 122.820 -0.158 0.000 2.380 306 A HA 0.598 4.781 4.320 -0.228 0.000 0.315 306 A C -1.967 175.574 177.584 -0.071 0.000 1.101 306 A CA -1.694 50.272 52.037 -0.117 0.000 0.771 306 A CB 1.046 19.971 19.000 -0.126 0.000 1.287 306 A HN -0.185 nan 8.150 nan 0.000 0.436 307 P HA 0.048 nan 4.420 nan 0.000 0.225 307 P C -0.044 177.215 177.300 -0.069 0.000 1.156 307 P CA 0.861 63.932 63.100 -0.049 0.000 0.787 307 P CB 0.131 31.806 31.700 -0.042 0.000 0.802 308 V N 0.878 120.731 119.914 -0.101 0.000 2.525 308 V HA 0.276 4.259 4.120 -0.228 0.000 0.299 308 V C -0.350 175.715 176.094 -0.048 0.000 1.034 308 V CA -0.579 61.659 62.300 -0.102 0.000 0.863 308 V CB 2.042 33.717 31.823 -0.246 0.000 0.999 308 V HN -0.058 nan 8.190 nan 0.000 0.423 309 Q N 3.284 123.104 119.800 0.034 0.000 2.353 309 Q HA 0.796 4.999 4.340 -0.228 0.000 0.268 309 Q C -1.419 174.583 176.000 0.003 0.000 1.045 309 Q CA -0.803 55.046 55.803 0.077 0.000 0.811 309 Q CB 3.238 32.139 28.738 0.270 0.000 1.305 309 Q HN 0.540 nan 8.270 nan 0.000 0.447 310 V N 2.316 122.125 119.914 -0.176 0.000 2.531 310 V HA 0.271 4.254 4.120 -0.228 0.000 0.301 310 V C -0.598 175.438 176.094 -0.096 0.000 1.034 310 V CA -0.976 61.153 62.300 -0.285 0.000 0.865 310 V CB 1.926 33.150 31.823 -0.999 0.000 0.995 310 V HN 0.709 nan 8.190 nan 0.000 0.424 311 N N 3.914 122.649 118.700 0.059 0.000 2.414 311 N HA 0.297 4.900 4.740 -0.228 0.000 0.256 311 N C -1.398 174.346 175.510 0.390 0.000 1.029 311 N CA -0.291 52.857 53.050 0.163 0.000 0.948 311 N CB 0.860 39.414 38.487 0.112 0.000 1.102 311 N HN 0.713 nan 8.380 nan 0.000 0.496 312 W N 6.054 127.538 121.300 0.307 0.000 3.097 312 W HA 0.457 4.980 4.660 -0.228 0.000 0.335 312 W C 0.186 176.961 176.519 0.427 0.000 1.114 312 W CA -0.885 56.719 57.345 0.431 0.000 1.231 312 W CB 0.301 30.193 29.460 0.720 0.000 1.388 312 W HN 0.524 nan 8.180 nan 0.000 0.485 313 L N 3.985 125.217 121.223 0.015 0.000 3.417 313 L HA -0.410 3.793 4.340 -0.228 0.000 0.368 313 L C 1.635 178.574 176.870 0.116 0.000 0.810 313 L CA 3.747 58.514 54.840 -0.121 0.000 3.108 313 L CB -1.877 39.627 42.059 -0.925 0.000 0.687 313 L HN 0.751 nan 8.230 nan 0.000 0.756 314 A N -1.730 121.169 122.820 0.133 0.000 1.872 314 A HA 0.022 4.205 4.320 -0.228 0.000 0.214 314 A C 0.959 178.744 177.584 0.334 0.000 1.187 314 A CA 1.691 53.849 52.037 0.202 0.000 0.614 314 A CB -0.426 18.679 19.000 0.175 0.000 0.826 314 A HN 0.684 nan 8.150 nan 0.000 0.442 315 Y N 1.270 121.701 120.300 0.218 0.000 2.331 315 Y HA 0.500 4.914 4.550 -0.227 0.000 0.338 315 Y C -2.569 173.452 175.900 0.202 0.000 0.976 315 Y CA -3.011 55.251 58.100 0.270 0.000 1.137 315 Y CB 1.722 40.337 38.460 0.259 0.000 1.172 315 Y HN 0.051 nan 8.280 nan 0.000 0.478 316 P HA 0.371 nan 4.420 nan 0.000 0.214 316 P C -0.289 176.777 177.300 -0.390 0.000 1.849 316 P CA 0.340 63.352 63.100 -0.147 0.000 1.022 316 P CB 0.279 32.189 31.700 0.350 0.000 1.912 317 G N -0.682 107.849 108.800 -0.447 0.000 2.340 317 G HA2 0.262 4.084 3.960 -0.228 0.000 0.299 317 G HA3 0.262 4.084 3.960 -0.228 0.000 0.299 317 G C -1.445 173.492 174.900 0.061 0.000 1.291 317 G CA -0.421 44.560 45.100 -0.197 0.000 0.841 317 G HN 0.129 nan 8.290 nan 0.000 0.500 318 T N -0.531 113.875 114.554 -0.246 0.000 2.913 318 T HA 0.427 4.640 4.350 -0.228 0.000 0.297 318 T C 1.944 176.725 174.700 0.136 0.000 1.029 318 T CA 0.862 62.822 62.100 -0.234 0.000 1.104 318 T CB 0.824 69.353 68.868 -0.565 0.000 0.964 318 T HN 1.401 nan 8.240 nan 0.000 0.532 319 S N 2.960 118.726 115.700 0.111 0.000 2.428 319 S HA 0.150 4.483 4.470 -0.228 0.000 0.230 319 S C 1.971 176.645 174.600 0.123 0.000 1.014 319 S CA 0.804 59.088 58.200 0.140 0.000 0.957 319 S CB -0.776 62.359 63.200 -0.110 0.000 0.784 319 S HN 1.726 nan 8.310 nan 0.000 0.499 320 G N 1.081 109.848 108.800 -0.054 0.000 2.166 320 G HA2 -0.126 3.697 3.960 -0.228 0.000 0.260 320 G HA3 -0.126 3.697 3.960 -0.228 0.000 0.260 320 G C 0.134 174.901 174.900 -0.222 0.000 0.986 320 G CA 0.233 45.262 45.100 -0.118 0.000 0.683 320 G HN 1.384 nan 8.290 nan 0.000 0.527 321 A N 0.217 122.796 122.820 -0.400 0.000 2.304 321 A HA 0.824 5.007 4.320 -0.228 0.000 0.323 321 A C -0.473 176.671 177.584 -0.733 0.000 1.195 321 A CA -1.017 50.499 52.037 -0.868 0.000 0.826 321 A CB 1.385 19.304 19.000 -1.803 0.000 1.184 321 A HN 0.044 nan 8.150 nan 0.000 0.496 322 P HA -0.090 nan 4.420 nan 0.000 0.230 322 P C 0.604 177.861 177.300 -0.072 0.000 1.158 322 P CA 0.931 63.913 63.100 -0.196 0.000 0.769 322 P CB -0.116 31.556 31.700 -0.047 0.000 0.807 323 W N -2.155 119.141 121.300 -0.006 0.000 3.290 323 W HA 0.528 5.051 4.660 -0.229 0.000 0.287 323 W C 0.198 176.716 176.519 -0.001 0.000 1.288 323 W CA -0.675 56.670 57.345 -0.000 0.000 1.725 323 W CB -0.918 28.551 29.460 0.014 0.000 1.103 323 W HN -0.260 nan 8.180 nan 0.000 0.670 324 M N 2.647 122.148 119.600 -0.165 0.000 2.101 324 M HA 0.243 4.586 4.480 -0.228 0.000 0.340 324 M C 0.654 176.896 176.300 -0.096 0.000 1.057 324 M CA -0.079 55.169 55.300 -0.086 0.000 0.984 324 M CB 1.043 33.513 32.600 -0.216 0.000 1.560 324 M HN -0.019 nan 8.290 nan 0.000 0.435 325 D N 3.543 123.903 120.400 -0.067 0.000 2.162 325 D HA -0.017 4.486 4.640 -0.228 0.000 0.205 325 D C -0.476 175.541 176.300 -0.472 0.000 0.964 325 D CA 1.485 55.328 54.000 -0.260 0.000 0.847 325 D CB 0.266 40.932 40.800 -0.222 0.000 0.988 325 D HN 0.479 nan 8.370 nan 0.000 0.480 326 Y N -0.958 119.353 120.300 0.019 0.000 2.609 326 Y HA 0.451 4.864 4.550 -0.229 0.000 0.342 326 Y C -0.360 175.549 175.900 0.015 0.000 1.058 326 Y CA -1.063 57.053 58.100 0.028 0.000 1.055 326 Y CB 2.240 40.687 38.460 -0.022 0.000 1.292 326 Y HN -0.372 nan 8.280 nan 0.000 0.476 327 V N 2.965 123.007 119.914 0.214 0.000 2.823 327 V HA 0.662 4.645 4.120 -0.228 0.000 0.312 327 V C -1.874 174.311 176.094 0.151 0.000 1.072 327 V CA -0.865 61.530 62.300 0.159 0.000 0.937 327 V CB 1.988 33.877 31.823 0.111 0.000 1.013 327 V HN 0.616 nan 8.190 nan 0.000 0.430 328 L N 6.490 127.857 121.223 0.239 0.000 2.294 328 L HA 0.955 5.158 4.340 -0.228 0.000 0.283 328 L C 0.216 177.307 176.870 0.369 0.000 1.015 328 L CA 0.899 55.900 54.840 0.268 0.000 0.831 328 L CB 0.845 43.058 42.059 0.255 0.000 1.217 328 L HN 0.832 nan 8.230 nan 0.000 0.420 329 G N 3.045 111.993 108.800 0.247 0.000 3.257 329 G HA2 0.671 4.494 3.960 -0.228 0.000 0.205 329 G HA3 0.671 4.494 3.960 -0.228 0.000 0.205 329 G C -1.559 173.545 174.900 0.341 0.000 1.234 329 G CA -0.053 45.228 45.100 0.301 0.000 0.918 329 G HN 0.654 nan 8.290 nan 0.000 0.602 330 D N -3.097 117.496 120.400 0.322 0.000 2.596 330 D HA 0.539 5.042 4.640 -0.228 0.000 0.262 330 D C 0.821 177.280 176.300 0.265 0.000 1.210 330 D CA 0.082 54.253 54.000 0.284 0.000 0.873 330 D CB 1.215 42.195 40.800 0.301 0.000 1.408 330 D HN 0.628 nan 8.370 nan 0.000 0.441 331 A N -0.041 122.946 122.820 0.277 0.000 2.070 331 A HA -0.033 4.150 4.320 -0.228 0.000 0.220 331 A C 1.581 179.279 177.584 0.189 0.000 1.159 331 A CA 1.123 53.284 52.037 0.206 0.000 0.656 331 A CB -0.941 18.173 19.000 0.190 0.000 0.800 331 A HN 0.542 nan 8.150 nan 0.000 0.453 332 F N -0.389 119.655 119.950 0.155 0.000 2.274 332 F HA 0.297 4.687 4.527 -0.229 0.000 0.288 332 F C 2.439 178.244 175.800 0.008 0.000 1.069 332 F CA 0.929 58.950 58.000 0.035 0.000 1.343 332 F CB -0.115 38.904 39.000 0.032 0.000 1.089 332 F HN 0.194 nan 8.300 nan 0.000 0.517 333 A N -0.016 122.986 122.820 0.303 0.000 1.968 333 A HA 0.026 4.209 4.320 -0.228 0.000 0.217 333 A C 1.183 178.754 177.584 -0.022 0.000 1.169 333 A CA 0.937 52.930 52.037 -0.073 0.000 0.638 333 A CB -0.587 18.062 19.000 -0.584 0.000 0.812 333 A HN 0.365 nan 8.150 nan 0.000 0.446 334 L N 1.386 122.695 121.223 0.143 0.000 2.679 334 L HA 0.293 4.496 4.340 -0.228 0.000 0.238 334 L C -2.589 174.313 176.870 0.053 0.000 1.330 334 L CA -2.364 52.571 54.840 0.159 0.000 0.935 334 L CB 1.766 43.900 42.059 0.125 0.000 1.243 334 L HN 0.123 nan 8.230 nan 0.000 0.484 335 P HA 0.254 nan 4.420 nan 0.000 0.276 335 P C -2.355 174.944 177.300 -0.002 0.000 1.261 335 P CA -1.340 61.743 63.100 -0.028 0.000 0.800 335 P CB 0.518 32.148 31.700 -0.117 0.000 1.066 336 P HA -0.204 nan 4.420 nan 0.000 0.216 336 P C 1.518 178.818 177.300 0.000 0.000 1.154 336 P CA 2.337 65.435 63.100 -0.003 0.000 0.865 336 P CB -0.694 31.003 31.700 -0.006 0.000 0.789 337 A N -1.545 121.277 122.820 0.004 0.000 2.131 337 A HA -0.159 4.024 4.320 -0.228 0.000 0.220 337 A C 2.011 179.646 177.584 0.084 0.000 1.158 337 A CA 1.299 53.352 52.037 0.026 0.000 0.665 337 A CB -1.339 17.679 19.000 0.029 0.000 0.795 337 A HN 0.181 nan 8.150 nan 0.000 0.460 338 L N -1.062 120.230 121.223 0.114 0.000 2.554 338 L HA 0.183 4.386 4.340 -0.228 0.000 0.225 338 L C 1.844 178.853 176.870 0.232 0.000 1.104 338 L CA 0.880 55.876 54.840 0.260 0.000 0.866 338 L CB -0.231 41.984 42.059 0.260 0.000 1.047 338 L HN 0.414 nan 8.230 nan 0.000 0.468 339 E N 0.244 120.489 120.200 0.074 0.000 2.085 339 E HA -0.208 4.005 4.350 -0.228 0.000 0.194 339 E C -0.731 175.877 176.600 0.014 0.000 0.994 339 E CA 1.538 57.964 56.400 0.044 0.000 0.801 339 E CB -0.848 28.845 29.700 -0.011 0.000 0.743 339 E HN 0.458 nan 8.360 nan 0.000 0.453 340 P HA -0.127 nan 4.420 nan 0.000 0.222 340 P C 0.401 177.503 177.300 -0.330 0.000 1.147 340 P CA 0.985 63.893 63.100 -0.320 0.000 0.790 340 P CB -0.032 31.342 31.700 -0.544 0.000 0.780 341 F N -3.035 116.972 119.950 0.095 0.000 2.773 341 F HA 0.142 4.532 4.527 -0.229 0.000 0.304 341 F C 0.600 176.362 175.800 -0.063 0.000 1.129 341 F CA -0.210 57.804 58.000 0.023 0.000 1.378 341 F CB -1.025 37.981 39.000 0.010 0.000 1.095 341 F HN -0.092 nan 8.300 nan 0.000 0.565 342 Y N -0.314 120.019 120.300 0.056 0.000 2.335 342 Y HA 0.199 4.612 4.550 -0.228 0.000 0.338 342 Y C 1.620 177.483 175.900 -0.062 0.000 0.977 342 Y CA -0.728 57.378 58.100 0.009 0.000 1.114 342 Y CB 1.484 39.944 38.460 0.001 0.000 1.182 342 Y HN -0.031 nan 8.280 nan 0.000 0.463 343 S N 0.456 116.152 115.700 -0.005 0.000 2.428 343 S HA -0.060 4.273 4.470 -0.228 0.000 0.230 343 S C 0.251 174.776 174.600 -0.125 0.000 1.014 343 S CA 0.383 58.533 58.200 -0.083 0.000 0.957 343 S CB -0.224 62.904 63.200 -0.121 0.000 0.784 343 S HN 0.645 nan 8.310 nan 0.000 0.499 344 E N 1.529 121.705 120.200 -0.039 0.000 2.371 344 E HA 0.278 4.491 4.350 -0.228 0.000 0.257 344 E C -0.038 176.477 176.600 -0.142 0.000 1.134 344 E CA -0.376 55.967 56.400 -0.095 0.000 0.919 344 E CB 0.207 29.922 29.700 0.024 0.000 1.025 344 E HN 0.388 nan 8.360 nan 0.000 0.438 345 H N 0.259 119.262 119.070 -0.111 0.000 2.764 345 H HA 0.112 4.531 4.556 -0.228 0.000 0.341 345 H C -0.386 175.002 175.328 0.100 0.000 1.072 345 H CA -0.131 55.904 56.048 -0.023 0.000 1.444 345 H CB 0.484 30.208 29.762 -0.062 0.000 1.458 345 H HN 0.126 nan 8.280 nan 0.000 0.572 346 V N 6.002 126.020 119.914 0.174 0.000 2.432 346 V HA 0.178 4.161 4.120 -0.228 0.000 0.275 346 V C 0.515 176.685 176.094 0.126 0.000 1.043 346 V CA -0.364 61.986 62.300 0.085 0.000 0.925 346 V CB 1.013 32.821 31.823 -0.025 0.000 0.985 346 V HN 0.450 nan 8.190 nan 0.000 0.466 347 L N 5.737 127.025 121.223 0.108 0.000 2.333 347 L HA 0.725 4.928 4.340 -0.228 0.000 0.269 347 L C -0.098 176.807 176.870 0.058 0.000 1.010 347 L CA -0.775 54.102 54.840 0.062 0.000 0.818 347 L CB 2.142 44.203 42.059 0.004 0.000 1.306 347 L HN 0.524 nan 8.230 nan 0.000 0.430 348 R N 1.507 122.034 120.500 0.045 0.000 2.686 348 R HA 0.617 4.820 4.340 -0.228 0.000 0.283 348 R C -1.209 175.114 176.300 0.039 0.000 0.978 348 R CA -0.835 55.309 56.100 0.072 0.000 0.897 348 R CB 2.298 32.649 30.300 0.085 0.000 1.192 348 R HN 0.428 nan 8.270 nan 0.000 0.457 349 L N 1.840 123.095 121.223 0.052 0.000 2.466 349 L HA 0.121 4.323 4.340 -0.228 0.000 0.257 349 L C 1.834 178.685 176.870 -0.032 0.000 1.189 349 L CA 0.146 54.962 54.840 -0.039 0.000 0.813 349 L CB 0.846 42.840 42.059 -0.108 0.000 1.118 349 L HN 0.708 nan 8.230 nan 0.000 0.471 350 Q N 0.584 120.333 119.800 -0.084 0.000 2.123 350 Q HA -0.015 4.188 4.340 -0.228 0.000 0.199 350 Q C 0.907 176.905 176.000 -0.005 0.000 0.966 350 Q CA 1.446 57.232 55.803 -0.029 0.000 0.845 350 Q CB 0.178 28.891 28.738 -0.042 0.000 0.907 350 Q HN 0.867 nan 8.270 nan 0.000 0.439 351 G N -0.137 108.589 108.800 -0.122 0.000 3.134 351 G HA2 0.593 4.416 3.960 -0.228 0.000 0.158 351 G HA3 0.593 4.416 3.960 -0.228 0.000 0.158 351 G C -0.853 173.708 174.900 -0.565 0.000 1.334 351 G CA -0.263 44.715 45.100 -0.202 0.000 1.001 351 G HN 0.417 nan 8.290 nan 0.000 0.600 352 A N -0.758 121.599 122.820 -0.772 0.000 2.406 352 A HA 0.452 4.635 4.320 -0.228 0.000 0.243 352 A C 0.827 178.380 177.584 -0.052 0.000 1.082 352 A CA 0.188 51.886 52.037 -0.566 0.000 0.786 352 A CB -0.043 18.716 19.000 -0.402 0.000 1.029 352 A HN 1.126 nan 8.150 nan 0.000 0.495 353 F N -0.418 119.586 119.950 0.091 0.000 2.558 353 F HA 0.131 4.521 4.527 -0.229 0.000 0.298 353 F C 0.918 177.046 175.800 0.546 0.000 1.119 353 F CA 0.542 58.773 58.000 0.385 0.000 1.451 353 F CB 0.035 39.317 39.000 0.470 0.000 1.091 353 F HN 0.568 nan 8.300 nan 0.000 0.563 354 Q N 3.779 123.141 119.800 -0.729 0.000 2.314 354 Q HA 0.344 4.547 4.340 -0.228 0.000 0.259 354 Q C -2.528 173.262 176.000 -0.350 0.000 0.951 354 Q CA -2.610 52.751 55.803 -0.737 0.000 0.909 354 Q CB 1.679 29.799 28.738 -1.030 0.000 1.236 354 Q HN 0.064 nan 8.270 nan 0.000 0.444 355 P HA 0.320 nan 4.420 nan 0.000 0.284 355 P C -1.287 175.743 177.300 -0.451 0.000 1.292 355 P CA -0.321 62.330 63.100 -0.748 0.000 0.800 355 P CB 1.502 32.581 31.700 -1.035 0.000 1.188 356 S N -2.213 113.258 115.700 -0.381 0.000 2.611 356 S HA 0.259 4.592 4.470 -0.228 0.000 0.268 356 S C -1.220 173.183 174.600 -0.329 0.000 1.156 356 S CA -0.765 57.268 58.200 -0.278 0.000 0.817 356 S CB 0.576 63.696 63.200 -0.133 0.000 1.122 356 S HN 0.380 nan 8.310 nan 0.000 0.466 357 D N 1.749 121.943 120.400 -0.343 0.000 2.517 357 D HA 0.249 4.751 4.640 -0.228 0.000 0.220 357 D C 1.453 177.403 176.300 -0.583 0.000 1.158 357 D CA 0.022 53.812 54.000 -0.349 0.000 0.992 357 D CB 0.198 40.862 40.800 -0.226 0.000 1.058 357 D HN 0.664 nan 8.370 nan 0.000 0.516 358 T N -0.997 113.187 114.554 -0.617 0.000 3.227 358 T HA -0.107 4.106 4.350 -0.228 0.000 0.257 358 T C 1.588 176.086 174.700 -0.336 0.000 1.162 358 T CA 0.597 62.180 62.100 -0.863 0.000 1.051 358 T CB -0.231 68.365 68.868 -0.454 0.000 0.953 358 T HN 0.205 nan 8.240 nan 0.000 0.535 359 S N 0.310 115.889 115.700 -0.202 0.000 2.524 359 S HA 0.165 4.497 4.470 -0.228 0.000 0.216 359 S C 0.890 175.526 174.600 0.061 0.000 0.987 359 S CA -0.790 57.394 58.200 -0.027 0.000 0.909 359 S CB -0.350 62.831 63.200 -0.033 0.000 0.781 359 S HN 0.499 nan 8.310 nan 0.000 0.521 360 R N 1.582 122.109 120.500 0.045 0.000 2.458 360 R HA 0.271 4.474 4.340 -0.228 0.000 0.303 360 R C -0.970 175.543 176.300 0.355 0.000 1.013 360 R CA -0.123 56.094 56.100 0.195 0.000 1.026 360 R CB 0.490 30.908 30.300 0.195 0.000 0.948 360 R HN 0.147 nan 8.270 nan 0.000 0.417 361 V N 5.423 125.452 119.914 0.192 0.000 2.368 361 V HA 0.063 4.045 4.120 -0.228 0.000 0.266 361 V C 0.402 176.549 176.094 0.089 0.000 1.045 361 V CA -0.628 61.746 62.300 0.124 0.000 0.899 361 V CB 1.220 33.082 31.823 0.064 0.000 1.006 361 V HN 0.482 nan 8.190 nan 0.000 0.470 362 V N 5.403 125.349 119.914 0.052 0.000 2.493 362 V HA 0.324 4.307 4.120 -0.228 0.000 0.292 362 V C 1.021 177.105 176.094 -0.018 0.000 1.016 362 V CA 0.159 62.463 62.300 0.008 0.000 1.097 362 V CB 0.254 32.043 31.823 -0.057 0.000 0.947 362 V HN 0.979 nan 8.190 nan 0.000 0.479 363 A N 5.258 128.072 122.820 -0.011 0.000 2.251 363 A HA 0.454 4.637 4.320 -0.228 0.000 0.278 363 A C 0.401 177.964 177.584 -0.036 0.000 1.206 363 A CA -0.414 51.613 52.037 -0.016 0.000 0.822 363 A CB 0.209 19.206 19.000 -0.005 0.000 1.187 363 A HN 0.748 nan 8.150 nan 0.000 0.504 364 E N 0.879 121.060 120.200 -0.033 0.000 2.249 364 E HA 0.419 4.632 4.350 -0.228 0.000 0.280 364 E C -2.144 174.432 176.600 -0.039 0.000 1.016 364 E CA -1.570 54.800 56.400 -0.049 0.000 0.830 364 E CB 0.972 30.652 29.700 -0.033 0.000 1.081 364 E HN 0.454 nan 8.360 nan 0.000 0.395 365 P HA 0.397 nan 4.420 nan 0.000 0.280 365 P C -2.523 174.810 177.300 0.055 0.000 1.272 365 P CA -1.510 61.582 63.100 -0.012 0.000 0.819 365 P CB -0.244 31.418 31.700 -0.062 0.000 1.122 366 P HA 0.044 nan 4.420 nan 0.000 0.271 366 P C 0.193 177.623 177.300 0.217 0.000 1.233 366 P CA -0.091 63.081 63.100 0.121 0.000 0.789 366 P CB -0.023 31.739 31.700 0.103 0.000 0.951 367 S N 0.684 116.469 115.700 0.141 0.000 2.563 367 S HA -0.015 4.318 4.470 -0.228 0.000 0.269 367 S C 1.288 175.881 174.600 -0.012 0.000 1.364 367 S CA -0.059 58.206 58.200 0.109 0.000 1.010 367 S CB 0.230 63.443 63.200 0.021 0.000 0.877 367 S HN 0.318 nan 8.310 nan 0.000 0.549 368 R N 0.639 120.959 120.500 -0.300 0.000 2.096 368 R HA -0.107 4.096 4.340 -0.228 0.000 0.240 368 R C 2.596 178.725 176.300 -0.286 0.000 1.139 368 R CA 2.161 57.933 56.100 -0.547 0.000 0.952 368 R CB -1.327 28.645 30.300 -0.546 0.000 0.854 368 R HN 0.828 nan 8.270 nan 0.000 0.436 369 T N 1.122 115.570 114.554 -0.176 0.000 2.665 369 T HA -0.181 4.032 4.350 -0.228 0.000 0.268 369 T C 1.696 176.353 174.700 -0.071 0.000 1.035 369 T CA 1.285 63.317 62.100 -0.113 0.000 1.151 369 T CB -0.151 68.673 68.868 -0.073 0.000 0.862 369 T HN 0.319 nan 8.240 nan 0.000 0.438 370 Q N -0.262 119.517 119.800 -0.036 0.000 2.437 370 Q HA 0.001 4.204 4.340 -0.228 0.000 0.210 370 Q C 1.782 177.801 176.000 0.031 0.000 0.972 370 Q CA 0.705 56.512 55.803 0.007 0.000 0.903 370 Q CB -0.290 28.469 28.738 0.034 0.000 0.967 370 Q HN 0.544 nan 8.270 nan 0.000 0.486 371 C N -0.096 119.205 119.300 0.002 0.000 2.884 371 C HA 0.344 4.667 4.460 -0.228 0.000 0.287 371 C C 1.475 176.433 174.990 -0.054 0.000 1.310 371 C CA 0.060 59.114 59.018 0.061 0.000 1.725 371 C CB -0.544 27.273 27.740 0.130 0.000 2.060 371 C HN 0.686 nan 8.230 nan 0.000 0.618 372 G N 1.304 110.054 108.800 -0.084 0.000 2.155 372 G HA2 -0.250 3.573 3.960 -0.228 0.000 0.257 372 G HA3 -0.250 3.573 3.960 -0.228 0.000 0.257 372 G C -0.021 174.745 174.900 -0.223 0.000 0.983 372 G CA 0.121 45.160 45.100 -0.101 0.000 0.676 372 G HN 0.560 nan 8.290 nan 0.000 0.528 373 L N 1.489 122.508 121.223 -0.340 0.000 2.399 373 L HA 0.482 4.685 4.340 -0.228 0.000 0.266 373 L C -1.223 175.490 176.870 -0.263 0.000 1.114 373 L CA -2.271 52.329 54.840 -0.401 0.000 0.804 373 L CB 0.841 42.549 42.059 -0.586 0.000 1.146 373 L HN -0.050 nan 8.230 nan 0.000 0.451 374 P HA 0.052 nan 4.420 nan 0.000 0.272 374 P C -0.063 177.133 177.300 -0.173 0.000 1.230 374 P CA -0.312 62.693 63.100 -0.158 0.000 0.788 374 P CB 0.952 32.577 31.700 -0.124 0.000 0.949 375 E N 0.073 120.193 120.200 -0.134 0.000 2.150 375 E HA -0.106 4.106 4.350 -0.228 0.000 0.193 375 E C 0.398 176.929 176.600 -0.116 0.000 0.985 375 E CA 1.315 57.638 56.400 -0.129 0.000 0.814 375 E CB 0.201 29.845 29.700 -0.093 0.000 0.752 375 E HN 0.529 nan 8.360 nan 0.000 0.466 376 Q N -1.558 118.183 119.800 -0.099 0.000 2.351 376 Q HA 0.614 4.817 4.340 -0.228 0.000 0.273 376 Q C -0.515 175.433 176.000 -0.087 0.000 1.077 376 Q CA -0.130 55.623 55.803 -0.084 0.000 0.843 376 Q CB 2.589 31.290 28.738 -0.062 0.000 1.367 376 Q HN 0.151 nan 8.270 nan 0.000 0.449 377 G N -0.722 108.033 108.800 -0.075 0.000 2.402 377 G HA2 -0.001 3.822 3.960 -0.228 0.000 0.666 377 G HA3 -0.001 3.822 3.960 -0.228 0.000 0.666 377 G C -1.511 173.349 174.900 -0.066 0.000 1.402 377 G CA -1.064 43.995 45.100 -0.068 0.000 0.920 377 G HN 0.450 nan 8.290 nan 0.000 0.651 378 V N 0.741 120.625 119.914 -0.049 0.000 2.508 378 V HA 0.441 4.424 4.120 -0.228 0.000 0.281 378 V C 1.013 177.085 176.094 -0.037 0.000 1.041 378 V CA 0.036 62.315 62.300 -0.034 0.000 1.016 378 V CB 1.388 33.200 31.823 -0.019 0.000 0.984 378 V HN 1.466 nan 8.190 nan 0.000 0.478 379 V N 8.138 128.038 119.914 -0.023 0.000 2.304 379 V HA 0.452 4.435 4.120 -0.228 0.000 0.269 379 V C -0.103 176.015 176.094 0.040 0.000 1.036 379 V CA -0.240 62.051 62.300 -0.015 0.000 0.840 379 V CB 0.619 32.409 31.823 -0.055 0.000 1.036 379 V HN 0.710 nan 8.190 nan 0.000 0.466 380 L N 6.945 128.177 121.223 0.015 0.000 2.395 380 L HA 0.660 4.863 4.340 -0.228 0.000 0.269 380 L C 0.124 176.979 176.870 -0.025 0.000 1.133 380 L CA -0.215 54.625 54.840 0.000 0.000 0.812 380 L CB 1.357 43.408 42.059 -0.012 0.000 1.125 380 L HN 0.857 nan 8.230 nan 0.000 0.452 381 C N 1.666 120.881 119.300 -0.141 0.000 2.880 381 C HA 0.713 5.036 4.460 -0.228 0.000 0.320 381 C C -0.786 173.743 174.990 -0.769 0.000 1.176 381 C CA -1.177 57.617 59.018 -0.374 0.000 1.390 381 C CB 0.849 28.354 27.740 -0.391 0.000 1.846 381 C HN 1.006 nan 8.230 nan 0.000 0.478 382 C N 6.320 125.126 119.300 -0.823 0.000 2.919 382 C HA 0.686 5.009 4.460 -0.228 0.000 0.337 382 C C -1.456 173.288 174.990 -0.409 0.000 1.039 382 C CA -0.356 58.118 59.018 -0.906 0.000 1.373 382 C CB -0.884 26.595 27.740 -0.435 0.000 1.843 382 C HN 0.780 nan 8.230 nan 0.000 0.493 383 F N 5.207 125.001 119.950 -0.260 0.000 2.405 383 F HA 0.662 5.052 4.527 -0.228 0.000 0.355 383 F C 0.559 176.450 175.800 0.151 0.000 1.121 383 F CA -0.218 57.797 58.000 0.025 0.000 1.112 383 F CB 0.796 39.912 39.000 0.193 0.000 1.126 383 F HN 0.591 nan 8.300 nan 0.000 0.481 384 N N 1.347 120.174 118.700 0.213 0.000 3.049 384 N HA 0.083 4.686 4.740 -0.228 0.000 0.244 384 N C -1.316 174.133 175.510 -0.102 0.000 1.203 384 N CA -0.776 52.308 53.050 0.057 0.000 0.945 384 N CB 1.364 39.868 38.487 0.028 0.000 1.616 384 N HN 0.300 nan 8.380 nan 0.000 0.505 385 N N 0.069 118.605 118.700 -0.273 0.000 2.353 385 N HA -0.051 4.552 4.740 -0.228 0.000 0.248 385 N C 1.367 176.566 175.510 -0.519 0.000 1.240 385 N CA 0.463 53.226 53.050 -0.478 0.000 0.862 385 N CB 0.484 38.442 38.487 -0.881 0.000 1.086 385 N HN 0.637 nan 8.380 nan 0.000 0.453 386 S N 2.011 117.508 115.700 -0.338 0.000 2.387 386 S HA -0.274 4.059 4.470 -0.228 0.000 0.230 386 S C 1.712 176.225 174.600 -0.144 0.000 1.035 386 S CA 1.598 59.694 58.200 -0.174 0.000 1.014 386 S CB -0.874 62.266 63.200 -0.101 0.000 0.836 386 S HN 0.740 nan 8.310 nan 0.000 0.466 387 Y N 1.683 121.963 120.300 -0.033 0.000 2.497 387 Y HA 0.279 4.693 4.550 -0.226 0.000 0.292 387 Y C 1.879 177.757 175.900 -0.036 0.000 1.137 387 Y CA 0.403 58.490 58.100 -0.022 0.000 1.285 387 Y CB -0.689 37.759 38.460 -0.020 0.000 0.991 387 Y HN 0.180 nan 8.280 nan 0.000 0.556 388 K N 0.788 121.051 120.400 -0.229 0.000 2.365 388 K HA 0.155 4.338 4.320 -0.228 0.000 0.197 388 K C 0.098 176.670 176.600 -0.047 0.000 1.042 388 K CA 0.195 56.407 56.287 -0.125 0.000 0.987 388 K CB 0.039 32.374 32.500 -0.275 0.000 0.779 388 K HN 0.291 nan 8.250 nan 0.000 0.484 389 L N 3.869 125.085 121.223 -0.012 0.000 2.404 389 L HA 0.040 4.243 4.340 -0.228 0.000 0.277 389 L C -0.178 176.767 176.870 0.124 0.000 1.184 389 L CA -0.732 54.154 54.840 0.075 0.000 1.013 389 L CB -0.641 41.500 42.059 0.136 0.000 1.318 389 L HN 0.230 nan 8.230 nan 0.000 0.435 390 N N 2.513 121.165 118.700 -0.080 0.000 2.478 390 N HA 0.420 5.023 4.740 -0.228 0.000 0.275 390 N C -2.164 172.885 175.510 -0.768 0.000 1.221 390 N CA -2.300 50.516 53.050 -0.390 0.000 0.979 390 N CB 0.069 38.365 38.487 -0.317 0.000 1.202 390 N HN -0.131 nan 8.380 nan 0.000 0.564 391 P HA -0.264 nan 4.420 nan 0.000 0.215 391 P C 1.401 178.458 177.300 -0.405 0.000 1.163 391 P CA 1.998 64.404 63.100 -1.157 0.000 0.894 391 P CB 0.106 31.233 31.700 -0.955 0.000 0.791 392 Q N -0.421 119.199 119.800 -0.300 0.000 2.096 392 Q HA -0.167 4.036 4.340 -0.228 0.000 0.204 392 Q C 2.008 177.939 176.000 -0.115 0.000 0.982 392 Q CA 2.379 58.094 55.803 -0.146 0.000 0.850 392 Q CB -0.555 28.116 28.738 -0.112 0.000 0.901 392 Q HN 0.097 nan 8.270 nan 0.000 0.422 393 S N 0.107 115.732 115.700 -0.125 0.000 2.368 393 S HA -0.080 4.252 4.470 -0.228 0.000 0.224 393 S C 1.905 176.498 174.600 -0.012 0.000 1.029 393 S CA 1.157 59.301 58.200 -0.093 0.000 0.988 393 S CB -0.107 63.059 63.200 -0.057 0.000 0.838 393 S HN 0.379 nan 8.310 nan 0.000 0.462 394 M N 1.541 121.172 119.600 0.050 0.000 2.086 394 M HA -0.008 4.335 4.480 -0.228 0.000 0.261 394 M C 2.524 178.995 176.300 0.284 0.000 1.067 394 M CA 1.508 56.949 55.300 0.236 0.000 1.116 394 M CB -1.694 31.162 32.600 0.428 0.000 1.348 394 M HN 0.368 nan 8.290 nan 0.000 0.407 395 A N 1.080 124.072 122.820 0.288 0.000 1.908 395 A HA -0.224 3.959 4.320 -0.228 0.000 0.218 395 A C 2.162 179.802 177.584 0.093 0.000 1.181 395 A CA 2.185 54.345 52.037 0.206 0.000 0.627 395 A CB -0.751 18.358 19.000 0.181 0.000 0.818 395 A HN 0.651 nan 8.150 nan 0.000 0.445 396 R N -0.950 119.575 120.500 0.042 0.000 2.148 396 R HA 0.050 4.253 4.340 -0.228 0.000 0.223 396 R C 1.904 178.308 176.300 0.173 0.000 1.088 396 R CA 1.549 57.678 56.100 0.049 0.000 0.985 396 R CB -0.486 29.730 30.300 -0.139 0.000 0.880 396 R HN 0.498 nan 8.270 nan 0.000 0.451 397 M N 1.037 120.732 119.600 0.159 0.000 2.156 397 M HA -0.007 4.336 4.480 -0.228 0.000 0.264 397 M C 2.190 178.565 176.300 0.124 0.000 1.067 397 M CA 1.452 56.864 55.300 0.188 0.000 1.131 397 M CB -0.202 32.489 32.600 0.151 0.000 1.368 397 M HN 0.088 nan 8.290 nan 0.000 0.416 398 L N 0.042 121.329 121.223 0.106 0.000 2.083 398 L HA -0.143 4.060 4.340 -0.228 0.000 0.209 398 L C 2.865 179.755 176.870 0.033 0.000 1.083 398 L CA 1.021 55.892 54.840 0.053 0.000 0.752 398 L CB -0.922 41.139 42.059 0.005 0.000 0.899 398 L HN 0.292 nan 8.230 nan 0.000 0.433 399 A N -0.154 122.695 122.820 0.049 0.000 1.940 399 A HA -0.170 4.013 4.320 -0.228 0.000 0.219 399 A C 2.348 179.959 177.584 0.045 0.000 1.176 399 A CA 1.975 54.037 52.037 0.041 0.000 0.631 399 A CB -0.842 18.192 19.000 0.057 0.000 0.814 399 A HN 0.206 nan 8.150 nan 0.000 0.446 400 V N 0.249 120.205 119.914 0.070 0.000 2.295 400 V HA -0.264 3.719 4.120 -0.228 0.000 0.246 400 V C 2.556 178.664 176.094 0.022 0.000 1.049 400 V CA 1.872 64.200 62.300 0.046 0.000 1.024 400 V CB -0.826 31.028 31.823 0.051 0.000 0.648 400 V HN 0.574 nan 8.190 nan 0.000 0.447 401 L N -0.537 120.700 121.223 0.024 0.000 2.012 401 L HA -0.232 3.971 4.340 -0.228 0.000 0.210 401 L C 2.825 179.695 176.870 0.000 0.000 1.073 401 L CA 1.866 56.711 54.840 0.009 0.000 0.748 401 L CB -0.705 41.360 42.059 0.011 0.000 0.891 401 L HN 0.267 nan 8.230 nan 0.000 0.431 402 R N -0.121 120.379 120.500 -0.001 0.000 2.127 402 R HA -0.155 4.047 4.340 -0.228 0.000 0.238 402 R C 2.032 178.328 176.300 -0.007 0.000 1.134 402 R CA 1.260 57.354 56.100 -0.010 0.000 0.975 402 R CB -0.081 30.209 30.300 -0.017 0.000 0.865 402 R HN 0.515 nan 8.270 nan 0.000 0.447 403 E N -0.181 120.019 120.200 -0.001 0.000 2.318 403 E HA 0.009 4.222 4.350 -0.228 0.000 0.193 403 E C -0.100 176.497 176.600 -0.005 0.000 0.998 403 E CA 0.409 56.808 56.400 -0.002 0.000 0.859 403 E CB 0.633 30.335 29.700 0.003 0.000 0.812 403 E HN 0.007 nan 8.360 nan 0.000 0.492 404 V N 3.194 123.104 119.914 -0.006 0.000 2.293 404 V HA 0.092 4.075 4.120 -0.228 0.000 0.275 404 V C -1.791 174.296 176.094 -0.013 0.000 1.021 404 V CA -1.233 61.061 62.300 -0.010 0.000 0.815 404 V CB 1.285 33.102 31.823 -0.011 0.000 1.025 404 V HN -0.065 nan 8.190 nan 0.000 0.448 405 P HA -0.144 nan 4.420 nan 0.000 0.216 405 P C 0.732 178.021 177.300 -0.020 0.000 1.157 405 P CA 1.414 64.504 63.100 -0.016 0.000 0.880 405 P CB 0.272 31.963 31.700 -0.015 0.000 0.791 406 D N -1.410 118.975 120.400 -0.024 0.000 2.388 406 D HA 0.073 4.576 4.640 -0.228 0.000 0.221 406 D C 0.458 176.735 176.300 -0.038 0.000 1.133 406 D CA 0.226 54.207 54.000 -0.031 0.000 0.831 406 D CB 0.133 40.913 40.800 -0.034 0.000 0.962 406 D HN 0.247 nan 8.370 nan 0.000 0.502 407 S N -0.530 115.151 115.700 -0.032 0.000 2.645 407 S HA 0.533 4.866 4.470 -0.228 0.000 0.266 407 S C 0.094 174.670 174.600 -0.040 0.000 1.258 407 S CA -0.546 57.633 58.200 -0.035 0.000 0.990 407 S CB 2.417 65.604 63.200 -0.022 0.000 0.967 407 S HN -0.088 nan 8.310 nan 0.000 0.556 408 V N 0.728 120.614 119.914 -0.048 0.000 3.049 408 V HA 0.583 4.566 4.120 -0.228 0.000 0.309 408 V C -1.559 174.512 176.094 -0.039 0.000 1.148 408 V CA -0.889 61.375 62.300 -0.059 0.000 0.990 408 V CB 2.111 33.868 31.823 -0.109 0.000 1.039 408 V HN 0.916 nan 8.190 nan 0.000 0.430 409 L N 4.224 125.427 121.223 -0.033 0.000 2.319 409 L HA 0.639 4.842 4.340 -0.228 0.000 0.281 409 L C -1.527 175.357 176.870 0.023 0.000 1.005 409 L CA -0.020 54.814 54.840 -0.011 0.000 0.828 409 L CB 1.332 43.383 42.059 -0.013 0.000 1.227 409 L HN 0.732 nan 8.230 nan 0.000 0.415 410 W N 7.402 128.600 121.300 -0.170 0.000 2.349 410 W HA 0.647 5.170 4.660 -0.228 0.000 0.309 410 W C -1.554 174.936 176.519 -0.047 0.000 1.083 410 W CA -1.187 56.093 57.345 -0.110 0.000 1.224 410 W CB 1.082 30.518 29.460 -0.038 0.000 1.256 410 W HN 0.403 nan 8.180 nan 0.000 0.461 411 L N 5.584 126.889 121.223 0.137 0.000 2.333 411 L HA 0.484 4.687 4.340 -0.228 0.000 0.263 411 L C -0.025 176.904 176.870 0.098 0.000 1.014 411 L CA -1.449 53.436 54.840 0.075 0.000 0.820 411 L CB 1.773 43.748 42.059 -0.141 0.000 1.352 411 L HN 0.054 nan 8.230 nan 0.000 0.421 412 L N 0.929 122.213 121.223 0.103 0.000 2.416 412 L HA 0.171 4.374 4.340 -0.228 0.000 0.272 412 L C 0.808 177.794 176.870 0.193 0.000 1.161 412 L CA 0.068 54.898 54.840 -0.015 0.000 0.845 412 L CB 1.195 43.207 42.059 -0.078 0.000 1.119 412 L HN 0.613 nan 8.230 nan 0.000 0.464 413 S N 1.432 117.255 115.700 0.204 0.000 2.552 413 S HA 0.284 4.617 4.470 -0.228 0.000 0.289 413 S C 0.298 174.939 174.600 0.068 0.000 1.304 413 S CA -0.133 58.186 58.200 0.197 0.000 1.063 413 S CB 0.373 63.628 63.200 0.093 0.000 0.848 413 S HN 0.755 nan 8.310 nan 0.000 0.499 414 G N 4.082 112.890 108.800 0.014 0.000 2.667 414 G HA2 0.676 4.499 3.960 -0.228 0.000 0.310 414 G HA3 0.676 4.499 3.960 -0.228 0.000 0.310 414 G C -3.012 171.845 174.900 -0.073 0.000 1.259 414 G CA -1.504 43.574 45.100 -0.036 0.000 1.019 414 G HN 0.574 nan 8.290 nan 0.000 0.496 415 P HA 0.334 nan 4.420 nan 0.000 0.272 415 P C 1.065 178.315 177.300 -0.084 0.000 1.223 415 P CA 0.931 63.989 63.100 -0.070 0.000 0.784 415 P CB 0.683 32.323 31.700 -0.100 0.000 0.923 416 G N 2.315 111.093 108.800 -0.036 0.000 2.627 416 G HA2 -0.293 3.530 3.960 -0.228 0.000 0.312 416 G HA3 -0.293 3.530 3.960 -0.228 0.000 0.312 416 G C 0.319 175.171 174.900 -0.079 0.000 1.299 416 G CA 0.094 45.175 45.100 -0.031 0.000 0.989 416 G HN 0.554 nan 8.290 nan 0.000 0.547 417 E N 1.375 121.523 120.200 -0.088 0.000 2.335 417 E HA 0.381 4.594 4.350 -0.228 0.000 0.191 417 E C 2.149 178.648 176.600 -0.168 0.000 1.077 417 E CA 0.802 57.131 56.400 -0.118 0.000 1.010 417 E CB -0.187 29.459 29.700 -0.090 0.000 1.141 417 E HN 0.724 nan 8.360 nan 0.000 0.452 418 A N 1.193 123.904 122.820 -0.182 0.000 1.908 418 A HA -0.214 3.969 4.320 -0.228 0.000 0.218 418 A C 1.656 179.096 177.584 -0.241 0.000 1.181 418 A CA 1.577 53.490 52.037 -0.207 0.000 0.627 418 A CB -0.131 18.768 19.000 -0.168 0.000 0.818 418 A HN 0.085 nan 8.150 nan 0.000 0.445 419 D N 0.128 120.314 120.400 -0.357 0.000 2.144 419 D HA -0.055 4.448 4.640 -0.228 0.000 0.199 419 D C 2.131 178.183 176.300 -0.413 0.000 0.984 419 D CA 1.578 55.152 54.000 -0.710 0.000 0.834 419 D CB -0.439 39.647 40.800 -1.190 0.000 0.955 419 D HN 0.452 nan 8.370 nan 0.000 0.465 420 A N 0.640 123.300 122.820 -0.268 0.000 1.968 420 A HA -0.112 4.071 4.320 -0.228 0.000 0.217 420 A C 2.137 179.660 177.584 -0.102 0.000 1.169 420 A CA 0.832 52.780 52.037 -0.150 0.000 0.638 420 A CB -0.240 18.689 19.000 -0.120 0.000 0.812 420 A HN 0.091 nan 8.150 nan 0.000 0.446 421 R N -0.479 119.930 120.500 -0.151 0.000 2.075 421 R HA 0.020 4.223 4.340 -0.228 0.000 0.232 421 R C 1.971 178.194 176.300 -0.129 0.000 1.126 421 R CA 1.277 57.269 56.100 -0.180 0.000 0.963 421 R CB -0.514 29.592 30.300 -0.324 0.000 0.858 421 R HN 0.481 nan 8.270 nan 0.000 0.435 422 L N 0.353 121.527 121.223 -0.081 0.000 2.046 422 L HA -0.181 4.022 4.340 -0.228 0.000 0.208 422 L C 2.679 179.691 176.870 0.237 0.000 1.077 422 L CA 1.380 56.291 54.840 0.118 0.000 0.747 422 L CB -0.438 41.777 42.059 0.260 0.000 0.896 422 L HN 0.169 nan 8.230 nan 0.000 0.432 423 R N 0.037 120.647 120.500 0.184 0.000 2.080 423 R HA -0.187 4.016 4.340 -0.228 0.000 0.236 423 R C 2.388 178.782 176.300 0.157 0.000 1.137 423 R CA 1.598 57.804 56.100 0.176 0.000 0.943 423 R CB -0.589 29.777 30.300 0.109 0.000 0.846 423 R HN 0.373 nan 8.270 nan 0.000 0.431 424 A N 0.327 123.219 122.820 0.121 0.000 2.019 424 A HA -0.178 4.005 4.320 -0.228 0.000 0.219 424 A C 1.874 179.595 177.584 0.229 0.000 1.164 424 A CA 1.042 53.163 52.037 0.140 0.000 0.644 424 A CB -0.477 18.572 19.000 0.083 0.000 0.805 424 A HN 0.384 nan 8.150 nan 0.000 0.449 425 F N 0.570 120.570 119.950 0.082 0.000 2.270 425 F HA 0.197 4.587 4.527 -0.227 0.000 0.295 425 F C 2.407 178.291 175.800 0.140 0.000 1.087 425 F CA 0.571 58.648 58.000 0.127 0.000 1.365 425 F CB -0.455 38.644 39.000 0.164 0.000 1.056 425 F HN 0.231 nan 8.300 nan 0.000 0.506 426 A N -0.196 122.710 122.820 0.142 0.000 1.883 426 A HA -0.306 3.877 4.320 -0.228 0.000 0.217 426 A C 2.090 179.674 177.584 -0.000 0.000 1.186 426 A CA 2.208 54.263 52.037 0.029 0.000 0.624 426 A CB -1.490 17.584 19.000 0.124 0.000 0.822 426 A HN 0.616 nan 8.150 nan 0.000 0.444 427 H N -0.056 119.006 119.070 -0.014 0.000 2.290 427 H HA -0.013 4.406 4.556 -0.229 0.000 0.298 427 H C 2.182 177.479 175.328 -0.052 0.000 1.087 427 H CA 2.130 58.167 56.048 -0.019 0.000 1.291 427 H CB -0.354 29.414 29.762 0.010 0.000 1.369 427 H HN 0.393 nan 8.280 nan 0.000 0.492 428 A N 0.135 122.934 122.820 -0.035 0.000 2.019 428 A HA -0.146 4.037 4.320 -0.228 0.000 0.219 428 A C 1.939 179.393 177.584 -0.217 0.000 1.164 428 A CA 1.504 53.476 52.037 -0.109 0.000 0.644 428 A CB -0.198 18.811 19.000 0.015 0.000 0.805 428 A HN 0.521 nan 8.150 nan 0.000 0.449 429 Q N -1.070 118.541 119.800 -0.314 0.000 2.322 429 Q HA 0.185 4.388 4.340 -0.228 0.000 0.203 429 Q C 0.895 176.777 176.000 -0.196 0.000 0.923 429 Q CA 0.594 56.208 55.803 -0.315 0.000 0.949 429 Q CB -0.090 28.357 28.738 -0.485 0.000 1.039 429 Q HN 0.909 nan 8.270 nan 0.000 0.496 430 G N 0.444 109.127 108.800 -0.196 0.000 2.225 430 G HA2 -0.228 3.595 3.960 -0.228 0.000 0.264 430 G HA3 -0.228 3.595 3.960 -0.228 0.000 0.264 430 G C -0.185 174.657 174.900 -0.096 0.000 1.060 430 G CA 0.268 45.275 45.100 -0.155 0.000 0.833 430 G HN 0.205 nan 8.290 nan 0.000 0.498 431 V N 0.183 120.053 119.914 -0.073 0.000 2.577 431 V HA 0.426 4.409 4.120 -0.228 0.000 0.303 431 V C 0.156 176.275 176.094 0.042 0.000 1.042 431 V CA -0.948 61.342 62.300 -0.016 0.000 0.872 431 V CB 1.941 33.757 31.823 -0.012 0.000 0.998 431 V HN 0.421 nan 8.190 nan 0.000 0.423 432 D N 3.720 124.151 120.400 0.052 0.000 2.570 432 D HA 0.054 4.557 4.640 -0.228 0.000 0.243 432 D C 1.219 177.569 176.300 0.083 0.000 1.171 432 D CA 0.819 54.869 54.000 0.083 0.000 0.879 432 D CB 1.625 42.453 40.800 0.048 0.000 1.143 432 D HN 0.704 nan 8.370 nan 0.000 0.511 433 A N 4.792 127.677 122.820 0.108 0.000 2.024 433 A HA -0.205 3.978 4.320 -0.228 0.000 0.220 433 A C 1.829 179.470 177.584 0.095 0.000 1.164 433 A CA 1.090 53.191 52.037 0.107 0.000 0.643 433 A CB -0.236 18.814 19.000 0.084 0.000 0.806 433 A HN 0.602 nan 8.150 nan 0.000 0.451 434 Q N -0.514 119.324 119.800 0.065 0.000 2.482 434 Q HA 0.037 4.240 4.340 -0.228 0.000 0.209 434 Q C 1.442 177.461 176.000 0.031 0.000 0.961 434 Q CA 0.523 56.358 55.803 0.052 0.000 0.945 434 Q CB -0.140 28.614 28.738 0.028 0.000 1.012 434 Q HN 0.702 nan 8.270 nan 0.000 0.515 435 R N -0.367 120.150 120.500 0.028 0.000 2.310 435 R HA 0.188 4.391 4.340 -0.228 0.000 0.202 435 R C 0.245 176.536 176.300 -0.015 0.000 0.933 435 R CA 0.015 56.113 56.100 -0.003 0.000 1.054 435 R CB 0.301 30.600 30.300 -0.001 0.000 0.985 435 R HN 0.096 nan 8.270 nan 0.000 0.489 436 L N 1.337 122.566 121.223 0.010 0.000 2.312 436 L HA 0.346 4.549 4.340 -0.228 0.000 0.281 436 L C -0.272 176.531 176.870 -0.110 0.000 1.070 436 L CA -0.656 54.140 54.840 -0.074 0.000 0.805 436 L CB 1.617 43.671 42.059 -0.008 0.000 1.174 436 L HN -0.192 nan 8.230 nan 0.000 0.434 437 V N 3.084 122.867 119.914 -0.218 0.000 2.540 437 V HA 0.421 4.404 4.120 -0.228 0.000 0.302 437 V C -0.662 175.373 176.094 -0.099 0.000 1.035 437 V CA -0.472 61.787 62.300 -0.069 0.000 0.873 437 V CB 1.863 33.617 31.823 -0.115 0.000 0.992 437 V HN 0.377 nan 8.190 nan 0.000 0.428 438 F N 4.153 124.253 119.950 0.251 0.000 2.402 438 F HA 0.542 4.932 4.527 -0.228 0.000 0.355 438 F C 0.334 176.252 175.800 0.197 0.000 1.123 438 F CA -0.461 57.662 58.000 0.206 0.000 1.021 438 F CB 1.690 40.751 39.000 0.102 0.000 1.160 438 F HN 0.414 nan 8.300 nan 0.000 0.451 439 M N 7.506 127.249 119.600 0.238 0.000 2.188 439 M HA 0.338 4.681 4.480 -0.228 0.000 0.354 439 M C -2.365 173.958 176.300 0.037 0.000 1.342 439 M CA -1.535 53.818 55.300 0.088 0.000 1.117 439 M CB 0.867 33.282 32.600 -0.308 0.000 1.670 439 M HN 0.226 nan 8.290 nan 0.000 0.466 440 P HA 0.113 nan 4.420 nan 0.000 0.274 440 P C -1.489 175.796 177.300 -0.025 0.000 1.246 440 P CA -0.270 62.846 63.100 0.026 0.000 0.795 440 P CB 0.458 32.183 31.700 0.042 0.000 1.006 441 K N 1.109 121.491 120.400 -0.029 0.000 2.451 441 K HA 0.252 4.435 4.320 -0.228 0.000 0.280 441 K C -0.670 175.910 176.600 -0.034 0.000 1.020 441 K CA 0.128 56.383 56.287 -0.053 0.000 1.008 441 K CB -0.269 32.208 32.500 -0.039 0.000 0.917 441 K HN 0.391 nan 8.250 nan 0.000 0.478 442 L N 5.897 127.094 121.223 -0.043 0.000 2.422 442 L HA 0.435 4.637 4.340 -0.228 0.000 0.264 442 L C -2.200 174.679 176.870 0.016 0.000 0.984 442 L CA -2.542 52.299 54.840 0.001 0.000 0.819 442 L CB 2.066 44.142 42.059 0.027 0.000 1.330 442 L HN 0.635 nan 8.230 nan 0.000 0.410 443 P HA -0.002 nan 4.420 nan 0.000 0.268 443 P C 0.328 177.697 177.300 0.115 0.000 1.208 443 P CA -0.023 63.108 63.100 0.052 0.000 0.777 443 P CB 0.517 32.244 31.700 0.046 0.000 0.875 444 H N 4.445 123.546 119.070 0.053 0.000 2.272 444 H HA -0.184 4.235 4.556 -0.228 0.000 0.289 444 H C -0.932 174.526 175.328 0.217 0.000 1.100 444 H CA 2.969 59.111 56.048 0.157 0.000 1.209 444 H CB -1.518 28.304 29.762 0.100 0.000 1.348 444 H HN 0.434 nan 8.280 nan 0.000 0.481 445 P HA -0.099 nan 4.420 nan 0.000 0.218 445 P C 1.164 178.449 177.300 -0.026 0.000 1.149 445 P CA 1.801 64.895 63.100 -0.011 0.000 0.817 445 P CB 0.002 31.733 31.700 0.052 0.000 0.785 446 Q N -2.008 117.803 119.800 0.019 0.000 2.137 446 Q HA -0.164 4.039 4.340 -0.228 0.000 0.198 446 Q C 2.131 178.133 176.000 0.003 0.000 0.960 446 Q CA 1.031 56.844 55.803 0.017 0.000 0.847 446 Q CB -0.698 28.062 28.738 0.036 0.000 0.915 446 Q HN 0.326 nan 8.270 nan 0.000 0.448 447 Y N 1.114 121.340 120.300 -0.122 0.000 2.145 447 Y HA -0.239 4.175 4.550 -0.227 0.000 0.286 447 Y C 1.919 177.735 175.900 -0.140 0.000 1.145 447 Y CA 1.020 59.011 58.100 -0.182 0.000 1.148 447 Y CB -0.326 38.032 38.460 -0.170 0.000 0.981 447 Y HN 0.065 nan 8.280 nan 0.000 0.507 448 L N 1.226 122.130 121.223 -0.531 0.000 2.042 448 L HA -0.119 4.083 4.340 -0.228 0.000 0.210 448 L C 2.582 179.356 176.870 -0.160 0.000 1.076 448 L CA 2.065 56.645 54.840 -0.433 0.000 0.749 448 L CB -1.454 40.417 42.059 -0.313 0.000 0.893 448 L HN 0.396 nan 8.230 nan 0.000 0.432 449 A N -0.908 121.833 122.820 -0.132 0.000 1.978 449 A HA -0.212 3.971 4.320 -0.228 0.000 0.220 449 A C 2.211 179.762 177.584 -0.056 0.000 1.170 449 A CA 1.331 53.327 52.037 -0.068 0.000 0.636 449 A CB -0.494 18.478 19.000 -0.046 0.000 0.810 449 A HN 0.386 nan 8.150 nan 0.000 0.448 450 R N -1.089 119.351 120.500 -0.100 0.000 2.139 450 R HA -0.175 4.028 4.340 -0.228 0.000 0.243 450 R C 1.642 177.976 176.300 0.057 0.000 1.145 450 R CA 1.466 57.561 56.100 -0.008 0.000 0.976 450 R CB -1.178 28.944 30.300 -0.297 0.000 0.866 450 R HN 0.765 nan 8.270 nan 0.000 0.449 451 Y N 0.669 120.966 120.300 -0.006 0.000 2.384 451 Y HA -0.124 4.289 4.550 -0.229 0.000 0.289 451 Y C 2.270 178.225 175.900 0.092 0.000 1.152 451 Y CA 0.972 59.111 58.100 0.065 0.000 1.258 451 Y CB -0.129 38.321 38.460 -0.017 0.000 0.979 451 Y HN 0.006 nan 8.280 nan 0.000 0.549 452 R N -0.870 119.703 120.500 0.121 0.000 2.285 452 R HA -0.112 4.091 4.340 -0.228 0.000 0.213 452 R C 0.879 177.194 176.300 0.025 0.000 1.068 452 R CA 0.783 56.891 56.100 0.013 0.000 1.004 452 R CB -0.184 30.038 30.300 -0.129 0.000 0.873 452 R HN 0.453 nan 8.270 nan 0.000 0.467 453 H N -0.692 118.510 119.070 0.219 0.000 2.575 453 H HA 0.269 4.688 4.556 -0.229 0.000 0.267 453 H C 0.263 175.715 175.328 0.208 0.000 0.966 453 H CA -0.097 56.051 56.048 0.166 0.000 1.165 453 H CB 0.334 30.174 29.762 0.130 0.000 1.433 453 H HN 0.082 nan 8.280 nan 0.000 0.544 454 A N 0.813 123.880 122.820 0.412 0.000 2.363 454 A HA 0.147 4.330 4.320 -0.228 0.000 0.270 454 A C 0.672 178.428 177.584 0.286 0.000 1.121 454 A CA -0.360 51.890 52.037 0.355 0.000 0.800 454 A CB 0.636 19.840 19.000 0.339 0.000 1.052 454 A HN 0.153 nan 8.150 nan 0.000 0.493 455 D N 0.314 120.843 120.400 0.216 0.000 2.259 455 D HA 0.152 4.655 4.640 -0.228 0.000 0.216 455 D C -0.173 176.310 176.300 0.306 0.000 0.961 455 D CA 1.062 55.199 54.000 0.229 0.000 0.878 455 D CB 0.323 41.183 40.800 0.101 0.000 1.009 455 D HN 0.383 nan 8.370 nan 0.000 0.490 456 L N -0.246 121.084 121.223 0.179 0.000 2.513 456 L HA 0.389 4.592 4.340 -0.228 0.000 0.261 456 L C -1.900 175.048 176.870 0.131 0.000 0.945 456 L CA -0.835 54.084 54.840 0.131 0.000 0.848 456 L CB 2.276 44.372 42.059 0.062 0.000 1.334 456 L HN -0.200 nan 8.230 nan 0.000 0.407 457 F N 5.327 125.280 119.950 0.004 0.000 2.410 457 F HA 0.643 5.032 4.527 -0.229 0.000 0.349 457 F C -0.955 174.862 175.800 0.028 0.000 1.117 457 F CA -0.580 57.425 58.000 0.008 0.000 1.104 457 F CB 0.962 39.984 39.000 0.037 0.000 1.122 457 F HN 0.368 nan 8.300 nan 0.000 0.483 458 L N 5.988 127.175 121.223 -0.060 0.000 2.277 458 L HA 0.253 4.455 4.340 -0.228 0.000 0.284 458 L C -0.378 176.651 176.870 0.265 0.000 1.028 458 L CA -0.836 54.111 54.840 0.178 0.000 0.835 458 L CB 0.778 42.951 42.059 0.190 0.000 1.215 458 L HN 0.584 nan 8.230 nan 0.000 0.425 459 D N 2.222 122.933 120.400 0.518 0.000 2.382 459 D HA 0.139 4.642 4.640 -0.228 0.000 0.240 459 D C 0.145 176.610 176.300 0.275 0.000 1.146 459 D CA 0.125 54.406 54.000 0.468 0.000 0.897 459 D CB 1.126 42.182 40.800 0.427 0.000 1.197 459 D HN 0.538 nan 8.370 nan 0.000 0.432 460 T N 0.038 114.717 114.554 0.208 0.000 2.943 460 T HA 0.515 4.728 4.350 -0.228 0.000 0.284 460 T C -0.467 174.322 174.700 0.150 0.000 1.015 460 T CA -0.698 61.467 62.100 0.108 0.000 1.042 460 T CB 1.368 70.273 68.868 0.061 0.000 1.055 460 T HN 0.494 nan 8.240 nan 0.000 0.500 461 H N 1.412 120.471 119.070 -0.018 0.000 2.717 461 H HA 0.480 4.900 4.556 -0.228 0.000 0.366 461 H C -2.374 172.933 175.328 -0.035 0.000 1.132 461 H CA -2.083 53.958 56.048 -0.012 0.000 1.180 461 H CB 2.597 32.321 29.762 -0.064 0.000 1.678 461 H HN 0.367 nan 8.280 nan 0.000 0.537 462 P HA 0.031 nan 4.420 nan 0.000 0.262 462 P C -0.750 176.430 177.300 -0.199 0.000 1.304 462 P CA 0.430 63.030 63.100 -0.834 0.000 0.859 462 P CB 0.151 31.389 31.700 -0.771 0.000 1.310 463 Y N 1.304 121.499 120.300 -0.175 0.000 2.464 463 Y HA 0.319 4.731 4.550 -0.230 0.000 0.326 463 Y C 0.075 175.965 175.900 -0.016 0.000 0.969 463 Y CA -1.127 56.918 58.100 -0.091 0.000 1.270 463 Y CB 0.526 38.918 38.460 -0.113 0.000 1.103 463 Y HN -0.156 nan 8.280 nan 0.000 0.491 464 N N 2.752 121.699 118.700 0.412 0.000 2.371 464 N HA 0.249 4.852 4.740 -0.228 0.000 0.243 464 N C -0.325 175.346 175.510 0.269 0.000 1.287 464 N CA -0.338 52.924 53.050 0.354 0.000 0.911 464 N CB 0.617 39.372 38.487 0.448 0.000 1.142 464 N HN 0.652 nan 8.380 nan 0.000 0.451 465 A N 0.572 123.570 122.820 0.296 0.000 2.540 465 A HA -0.018 4.165 4.320 -0.228 0.000 0.239 465 A C 0.056 177.896 177.584 0.428 0.000 1.061 465 A CA 0.580 52.793 52.037 0.293 0.000 0.758 465 A CB -0.047 19.170 19.000 0.361 0.000 0.991 465 A HN 0.848 nan 8.150 nan 0.000 0.502 466 H N 1.033 120.206 119.070 0.171 0.000 3.022 466 H HA 0.019 4.438 4.556 -0.228 0.000 0.180 466 H C 1.783 177.179 175.328 0.113 0.000 1.111 466 H CA 0.461 56.619 56.048 0.183 0.000 1.304 466 H CB 0.237 30.165 29.762 0.277 0.000 1.290 466 H HN 0.645 nan 8.280 nan 0.000 0.441 467 T N 0.708 115.429 114.554 0.277 0.000 2.788 467 T HA -0.167 4.046 4.350 -0.228 0.000 0.268 467 T C 2.081 176.888 174.700 0.179 0.000 1.044 467 T CA 2.038 64.240 62.100 0.170 0.000 1.139 467 T CB -0.471 68.487 68.868 0.149 0.000 0.867 467 T HN 0.559 nan 8.240 nan 0.000 0.454 468 T N 0.691 115.382 114.554 0.228 0.000 2.951 468 T HA 0.148 4.361 4.350 -0.228 0.000 0.268 468 T C 2.268 176.970 174.700 0.004 0.000 1.073 468 T CA 0.866 63.148 62.100 0.303 0.000 1.134 468 T CB -0.451 68.723 68.868 0.510 0.000 0.884 468 T HN 0.341 nan 8.240 nan 0.000 0.479 469 A N 1.470 124.228 122.820 -0.104 0.000 1.898 469 A HA 0.017 4.200 4.320 -0.228 0.000 0.216 469 A C 2.693 180.153 177.584 -0.206 0.000 1.181 469 A CA 1.856 53.687 52.037 -0.344 0.000 0.620 469 A CB -1.268 17.639 19.000 -0.156 0.000 0.819 469 A HN 0.506 nan 8.150 nan 0.000 0.442 470 S N -0.257 115.413 115.700 -0.050 0.000 2.359 470 S HA -0.197 4.136 4.470 -0.228 0.000 0.224 470 S C 1.713 176.351 174.600 0.064 0.000 1.035 470 S CA 1.758 59.987 58.200 0.049 0.000 1.018 470 S CB -0.536 62.687 63.200 0.038 0.000 0.876 470 S HN 0.579 nan 8.310 nan 0.000 0.448 471 D N 1.478 121.880 120.400 0.004 0.000 2.092 471 D HA -0.069 4.434 4.640 -0.228 0.000 0.193 471 D C 2.260 178.293 176.300 -0.445 0.000 0.994 471 D CA 1.432 55.391 54.000 -0.068 0.000 0.828 471 D CB -0.833 40.015 40.800 0.080 0.000 0.963 471 D HN 0.470 nan 8.370 nan 0.000 0.450 472 A N 0.816 123.204 122.820 -0.719 0.000 1.865 472 A HA -0.172 4.011 4.320 -0.228 0.000 0.217 472 A C 2.470 179.824 177.584 -0.383 0.000 1.191 472 A CA 1.328 52.852 52.037 -0.856 0.000 0.623 472 A CB -0.980 17.636 19.000 -0.639 0.000 0.826 472 A HN 0.229 nan 8.150 nan 0.000 0.444 473 L N -1.880 119.231 121.223 -0.186 0.000 2.083 473 L HA -0.198 4.005 4.340 -0.228 0.000 0.209 473 L C 2.605 179.457 176.870 -0.030 0.000 1.083 473 L CA 1.364 56.190 54.840 -0.023 0.000 0.752 473 L CB -0.545 41.603 42.059 0.149 0.000 0.899 473 L HN 0.785 nan 8.230 nan 0.000 0.433 474 W N 1.489 122.639 121.300 -0.250 0.000 2.342 474 W HA -0.269 4.254 4.660 -0.228 0.000 0.297 474 W C 2.377 178.683 176.519 -0.355 0.000 1.213 474 W CA 2.000 59.027 57.345 -0.530 0.000 1.251 474 W CB -0.050 29.140 29.460 -0.451 0.000 1.136 474 W HN 0.358 nan 8.180 nan 0.000 0.526 475 T N -2.675 111.671 114.554 -0.346 0.000 3.067 475 T HA 0.226 4.439 4.350 -0.228 0.000 0.261 475 T C 1.512 176.043 174.700 -0.283 0.000 1.110 475 T CA 1.323 63.208 62.100 -0.358 0.000 1.113 475 T CB -0.106 68.656 68.868 -0.177 0.000 0.917 475 T HN 0.374 nan 8.240 nan 0.000 0.499 476 G N -0.061 108.592 108.800 -0.245 0.000 2.175 476 G HA2 -0.182 3.641 3.960 -0.228 0.000 0.182 476 G HA3 -0.182 3.641 3.960 -0.228 0.000 0.182 476 G C 0.174 174.982 174.900 -0.152 0.000 1.003 476 G CA -0.310 44.688 45.100 -0.170 0.000 0.666 476 G HN 0.839 nan 8.290 nan 0.000 0.506 477 C N 2.689 121.910 119.300 -0.132 0.000 2.325 477 C HA 0.715 5.038 4.460 -0.228 0.000 0.347 477 C C -1.678 173.212 174.990 -0.166 0.000 1.263 477 C CA -2.114 56.834 59.018 -0.118 0.000 1.806 477 C CB 0.357 28.163 27.740 0.111 0.000 2.405 477 C HN 0.317 nan 8.230 nan 0.000 0.537 478 P HA 0.199 nan 4.420 nan 0.000 0.269 478 P C -1.007 176.279 177.300 -0.024 0.000 1.209 478 P CA 0.116 63.124 63.100 -0.154 0.000 0.776 478 P CB 0.449 32.039 31.700 -0.184 0.000 0.876 479 V N 4.020 123.923 119.914 -0.019 0.000 2.444 479 V HA 0.280 4.263 4.120 -0.228 0.000 0.294 479 V C -0.105 176.032 176.094 0.072 0.000 1.022 479 V CA -0.678 61.659 62.300 0.061 0.000 0.850 479 V CB 1.524 33.306 31.823 -0.068 0.000 0.992 479 V HN 0.357 nan 8.190 nan 0.000 0.426 480 L N 5.008 126.299 121.223 0.113 0.000 2.289 480 L HA 0.862 5.065 4.340 -0.228 0.000 0.285 480 L C -0.008 177.001 176.870 0.231 0.000 1.049 480 L CA 0.932 55.801 54.840 0.048 0.000 0.804 480 L CB 1.676 43.618 42.059 -0.195 0.000 1.195 480 L HN 0.827 nan 8.230 nan 0.000 0.428 481 T N 1.549 116.254 114.554 0.252 0.000 2.821 481 T HA 0.613 4.826 4.350 -0.228 0.000 0.306 481 T C -1.054 173.822 174.700 0.293 0.000 1.313 481 T CA -0.036 62.263 62.100 0.331 0.000 1.012 481 T CB 1.380 70.390 68.868 0.236 0.000 1.298 481 T HN 0.728 nan 8.240 nan 0.000 0.502 482 T N 2.079 116.776 114.554 0.238 0.000 3.154 482 T HA 0.577 4.790 4.350 -0.228 0.000 0.381 482 T C -2.851 171.927 174.700 0.130 0.000 1.368 482 T CA -1.681 60.501 62.100 0.137 0.000 1.155 482 T CB 0.437 69.302 68.868 -0.004 0.000 1.120 482 T HN 0.336 nan 8.240 nan 0.000 0.570 483 P HA 0.201 nan 4.420 nan 0.000 0.260 483 P C 0.807 178.184 177.300 0.127 0.000 1.172 483 P CA 0.533 63.761 63.100 0.213 0.000 0.760 483 P CB 0.433 32.318 31.700 0.307 0.000 0.773 484 G N 2.520 111.413 108.800 0.156 0.000 2.849 484 G HA2 0.198 4.021 3.960 -0.228 0.000 0.174 484 G HA3 0.198 4.021 3.960 -0.228 0.000 0.174 484 G C -0.015 174.930 174.900 0.074 0.000 1.370 484 G CA -0.356 44.834 45.100 0.151 0.000 1.040 484 G HN 0.449 nan 8.290 nan 0.000 0.582 485 E N -0.560 119.684 120.200 0.074 0.000 2.548 485 E HA 0.187 4.400 4.350 -0.228 0.000 0.206 485 E C 0.080 176.697 176.600 0.029 0.000 1.005 485 E CA -0.028 56.389 56.400 0.029 0.000 0.951 485 E CB 0.909 30.615 29.700 0.011 0.000 1.035 485 E HN 0.452 nan 8.360 nan 0.000 0.470 486 T N -3.478 111.100 114.554 0.040 0.000 2.916 486 T HA 0.277 4.490 4.350 -0.228 0.000 0.292 486 T C 0.418 175.195 174.700 0.128 0.000 1.064 486 T CA -0.845 61.295 62.100 0.066 0.000 1.011 486 T CB 1.226 70.085 68.868 -0.015 0.000 1.152 486 T HN -0.028 nan 8.240 nan 0.000 0.510 487 F N 1.681 121.657 119.950 0.043 0.000 2.095 487 F HA 0.070 4.460 4.527 -0.228 0.000 0.298 487 F C 2.611 178.419 175.800 0.013 0.000 1.104 487 F CA 2.045 60.066 58.000 0.035 0.000 1.232 487 F CB -0.700 38.345 39.000 0.075 0.000 0.987 487 F HN 0.767 nan 8.300 nan 0.000 0.475 488 A N -0.077 122.884 122.820 0.235 0.000 2.076 488 A HA 0.004 4.187 4.320 -0.228 0.000 0.220 488 A C 1.991 179.709 177.584 0.222 0.000 1.160 488 A CA 1.420 53.579 52.037 0.203 0.000 0.653 488 A CB -1.285 17.615 19.000 -0.167 0.000 0.801 488 A HN 0.466 nan 8.150 nan 0.000 0.455 489 A N -1.167 121.715 122.820 0.104 0.000 2.379 489 A HA 0.354 4.537 4.320 -0.228 0.000 0.236 489 A C 1.414 179.096 177.584 0.164 0.000 1.272 489 A CA -0.093 52.031 52.037 0.145 0.000 0.886 489 A CB -0.041 19.017 19.000 0.097 0.000 0.962 489 A HN 0.459 nan 8.150 nan 0.000 0.504 490 R N -1.396 119.155 120.500 0.085 0.000 2.549 490 R HA 0.194 4.397 4.340 -0.228 0.000 0.344 490 R C 0.766 177.121 176.300 0.092 0.000 0.979 490 R CA 0.126 56.312 56.100 0.144 0.000 1.140 490 R CB 0.421 30.772 30.300 0.085 0.000 1.377 490 R HN 0.247 nan 8.270 nan 0.000 0.541 491 V N 1.002 120.901 119.914 -0.026 0.000 2.307 491 V HA -0.210 3.773 4.120 -0.228 0.000 0.245 491 V C 2.442 178.573 176.094 0.062 0.000 1.045 491 V CA 2.430 64.704 62.300 -0.043 0.000 1.024 491 V CB -0.379 31.288 31.823 -0.261 0.000 0.651 491 V HN 0.403 nan 8.190 nan 0.000 0.449 492 A N 0.510 123.396 122.820 0.110 0.000 1.902 492 A HA -0.086 4.097 4.320 -0.228 0.000 0.217 492 A C 2.413 180.000 177.584 0.005 0.000 1.181 492 A CA 1.866 53.946 52.037 0.072 0.000 0.623 492 A CB -1.271 17.808 19.000 0.131 0.000 0.818 492 A HN 0.538 nan 8.150 nan 0.000 0.443 493 G N -0.842 107.981 108.800 0.038 0.000 2.450 493 G HA2 -0.211 3.612 3.960 -0.228 0.000 0.220 493 G HA3 -0.211 3.612 3.960 -0.228 0.000 0.220 493 G C 1.890 176.406 174.900 -0.639 0.000 1.130 493 G CA 1.577 46.600 45.100 -0.128 0.000 0.760 493 G HN 0.594 nan 8.290 nan 0.000 0.557 494 S N -0.148 115.355 115.700 -0.329 0.000 2.371 494 S HA 0.031 4.364 4.470 -0.228 0.000 0.224 494 S C 2.438 177.051 174.600 0.022 0.000 1.029 494 S CA 0.802 58.881 58.200 -0.202 0.000 0.978 494 S CB -0.258 63.092 63.200 0.250 0.000 0.833 494 S HN 0.340 nan 8.310 nan 0.000 0.466 495 L N 1.643 122.844 121.223 -0.037 0.000 1.989 495 L HA -0.171 4.032 4.340 -0.228 0.000 0.211 495 L C 2.597 179.408 176.870 -0.098 0.000 1.071 495 L CA 1.565 56.358 54.840 -0.078 0.000 0.749 495 L CB -1.088 40.907 42.059 -0.107 0.000 0.890 495 L HN 0.317 nan 8.230 nan 0.000 0.431 496 N N -0.472 118.152 118.700 -0.126 0.000 2.036 496 N HA -0.263 4.340 4.740 -0.228 0.000 0.195 496 N C 1.865 177.282 175.510 -0.154 0.000 1.037 496 N CA 1.851 54.827 53.050 -0.123 0.000 0.855 496 N CB -0.585 37.839 38.487 -0.106 0.000 1.033 496 N HN 0.445 nan 8.380 nan 0.000 0.423 497 H N -0.352 118.487 119.070 -0.386 0.000 2.353 497 H HA -0.025 4.394 4.556 -0.229 0.000 0.300 497 H C 1.541 176.656 175.328 -0.356 0.000 1.090 497 H CA 1.943 57.730 56.048 -0.435 0.000 1.327 497 H CB -0.269 29.025 29.762 -0.779 0.000 1.383 497 H HN 0.401 nan 8.280 nan 0.000 0.508 498 H N -1.349 117.546 119.070 -0.291 0.000 2.529 498 H HA 0.024 4.443 4.556 -0.228 0.000 0.277 498 H C 1.656 176.836 175.328 -0.245 0.000 0.999 498 H CA 0.665 56.542 56.048 -0.285 0.000 1.256 498 H CB 0.321 29.988 29.762 -0.158 0.000 1.402 498 H HN 0.247 nan 8.280 nan 0.000 0.566 499 L N -0.952 120.197 121.223 -0.123 0.000 2.209 499 L HA 0.173 4.376 4.340 -0.228 0.000 0.207 499 L C 1.724 178.527 176.870 -0.112 0.000 1.094 499 L CA 1.703 56.482 54.840 -0.102 0.000 0.790 499 L CB -0.431 41.585 42.059 -0.072 0.000 0.932 499 L HN 0.500 nan 8.230 nan 0.000 0.447 500 G N -1.319 107.384 108.800 -0.162 0.000 2.168 500 G HA2 -0.208 3.615 3.960 -0.228 0.000 0.197 500 G HA3 -0.208 3.615 3.960 -0.228 0.000 0.197 500 G C 0.526 175.374 174.900 -0.087 0.000 0.997 500 G CA 0.103 45.120 45.100 -0.138 0.000 0.658 500 G HN 0.232 nan 8.290 nan 0.000 0.513 501 L N 1.749 122.923 121.223 -0.081 0.000 2.955 501 L HA 0.259 4.462 4.340 -0.228 0.000 0.238 501 L C 1.347 178.198 176.870 -0.032 0.000 1.359 501 L CA -0.410 54.400 54.840 -0.051 0.000 1.214 501 L CB -0.021 42.007 42.059 -0.051 0.000 1.600 501 L HN 0.114 nan 8.230 nan 0.000 0.442 502 D N 0.830 121.223 120.400 -0.011 0.000 2.182 502 D HA -0.213 4.290 4.640 -0.228 0.000 0.201 502 D C 1.903 178.221 176.300 0.029 0.000 0.986 502 D CA 1.223 55.241 54.000 0.030 0.000 0.847 502 D CB 0.223 41.065 40.800 0.071 0.000 0.942 502 D HN 0.575 nan 8.370 nan 0.000 0.467 503 E N 0.819 121.028 120.200 0.014 0.000 2.401 503 E HA -0.173 4.040 4.350 -0.228 0.000 0.199 503 E C 1.403 178.009 176.600 0.009 0.000 1.023 503 E CA 0.643 57.051 56.400 0.013 0.000 0.859 503 E CB -0.158 29.544 29.700 0.004 0.000 0.780 503 E HN 0.217 nan 8.360 nan 0.000 0.523 504 M N 0.885 120.487 119.600 0.003 0.000 2.495 504 M HA 0.170 4.513 4.480 -0.228 0.000 0.237 504 M C -0.239 176.082 176.300 0.035 0.000 1.131 504 M CA 0.054 55.356 55.300 0.003 0.000 1.032 504 M CB -0.453 32.139 32.600 -0.012 0.000 1.513 504 M HN -0.099 nan 8.290 nan 0.000 0.488 505 N N 1.599 120.329 118.700 0.049 0.000 2.501 505 N HA 0.419 5.022 4.740 -0.228 0.000 0.245 505 N C -0.463 175.106 175.510 0.099 0.000 0.974 505 N CA -0.117 52.988 53.050 0.093 0.000 0.941 505 N CB 1.893 40.445 38.487 0.108 0.000 1.122 505 N HN 0.035 nan 8.380 nan 0.000 0.507 506 V N -0.963 119.018 119.914 0.111 0.000 3.113 506 V HA 0.849 4.832 4.120 -0.228 0.000 0.316 506 V C 0.992 177.140 176.094 0.090 0.000 1.125 506 V CA -0.760 61.596 62.300 0.094 0.000 1.026 506 V CB 1.402 33.280 31.823 0.092 0.000 1.080 506 V HN 0.410 nan 8.190 nan 0.000 0.444 507 A N 0.916 123.775 122.820 0.064 0.000 1.930 507 A HA 0.338 4.521 4.320 -0.228 0.000 0.215 507 A C 0.679 178.268 177.584 0.009 0.000 1.176 507 A CA 1.689 53.747 52.037 0.035 0.000 0.632 507 A CB -0.794 18.221 19.000 0.025 0.000 0.819 507 A HN 1.316 nan 8.150 nan 0.000 0.445 508 D N -4.301 116.111 120.400 0.020 0.000 2.792 508 D HA 0.198 4.701 4.640 -0.228 0.000 0.335 508 D C -0.524 175.781 176.300 0.008 0.000 1.353 508 D CA -0.316 53.669 54.000 -0.025 0.000 0.839 508 D CB -0.378 40.403 40.800 -0.032 0.000 1.396 508 D HN -0.196 nan 8.370 nan 0.000 0.479 509 D N -0.276 120.097 120.400 -0.045 0.000 2.123 509 D HA -0.057 4.446 4.640 -0.228 0.000 0.196 509 D C 2.022 178.369 176.300 0.078 0.000 0.992 509 D CA 2.454 56.435 54.000 -0.032 0.000 0.833 509 D CB -0.579 40.171 40.800 -0.084 0.000 0.954 509 D HN 0.501 nan 8.370 nan 0.000 0.455 510 A N 0.788 123.638 122.820 0.050 0.000 1.940 510 A HA -0.073 4.110 4.320 -0.228 0.000 0.219 510 A C 2.263 179.898 177.584 0.085 0.000 1.176 510 A CA 2.279 54.352 52.037 0.060 0.000 0.631 510 A CB -0.660 18.359 19.000 0.032 0.000 0.814 510 A HN 0.248 nan 8.150 nan 0.000 0.446 511 A N -1.645 121.228 122.820 0.089 0.000 2.016 511 A HA 0.108 4.291 4.320 -0.228 0.000 0.217 511 A C 1.992 179.652 177.584 0.127 0.000 1.162 511 A CA 1.212 53.300 52.037 0.085 0.000 0.662 511 A CB -0.584 18.456 19.000 0.067 0.000 0.812 511 A HN 0.695 nan 8.150 nan 0.000 0.450 512 F N 0.427 120.380 119.950 0.005 0.000 2.128 512 F HA -0.113 4.277 4.527 -0.228 0.000 0.295 512 F C 2.088 177.897 175.800 0.015 0.000 1.100 512 F CA 1.824 59.832 58.000 0.014 0.000 1.260 512 F CB -0.094 38.913 39.000 0.012 0.000 1.009 512 F HN 0.016 nan 8.300 nan 0.000 0.476 513 V N 0.870 120.998 119.914 0.357 0.000 2.343 513 V HA -0.316 3.667 4.120 -0.228 0.000 0.247 513 V C 2.730 178.853 176.094 0.048 0.000 1.051 513 V CA 1.859 64.277 62.300 0.197 0.000 1.036 513 V CB -1.502 30.424 31.823 0.171 0.000 0.654 513 V HN 0.518 nan 8.190 nan 0.000 0.451 514 A N -0.176 122.671 122.820 0.044 0.000 1.929 514 A HA -0.195 3.987 4.320 -0.228 0.000 0.216 514 A C 2.219 179.792 177.584 -0.019 0.000 1.176 514 A CA 1.990 54.035 52.037 0.013 0.000 0.628 514 A CB -0.415 18.598 19.000 0.020 0.000 0.816 514 A HN 0.462 nan 8.150 nan 0.000 0.444 515 K N 0.337 120.713 120.400 -0.041 0.000 2.025 515 K HA 0.038 4.221 4.320 -0.228 0.000 0.207 515 K C 1.969 178.501 176.600 -0.113 0.000 1.049 515 K CA 1.621 57.864 56.287 -0.073 0.000 0.933 515 K CB -0.547 31.901 32.500 -0.087 0.000 0.714 515 K HN 0.299 nan 8.250 nan 0.000 0.438 516 A N -0.086 122.619 122.820 -0.191 0.000 1.969 516 A HA -0.071 4.112 4.320 -0.228 0.000 0.218 516 A C 2.273 179.804 177.584 -0.088 0.000 1.169 516 A CA 1.660 53.584 52.037 -0.189 0.000 0.635 516 A CB -0.558 18.268 19.000 -0.290 0.000 0.810 516 A HN 0.140 nan 8.150 nan 0.000 0.445 517 V N -0.406 119.473 119.914 -0.059 0.000 2.407 517 V HA -0.157 3.826 4.120 -0.228 0.000 0.245 517 V C 3.044 179.123 176.094 -0.024 0.000 1.041 517 V CA 1.626 63.909 62.300 -0.028 0.000 1.040 517 V CB -1.062 30.754 31.823 -0.011 0.000 0.671 517 V HN 0.597 nan 8.190 nan 0.000 0.455 518 A N -0.101 122.704 122.820 -0.025 0.000 1.892 518 A HA -0.213 3.970 4.320 -0.228 0.000 0.218 518 A C 2.221 179.795 177.584 -0.017 0.000 1.188 518 A CA 2.051 54.078 52.037 -0.018 0.000 0.631 518 A CB -0.577 18.413 19.000 -0.016 0.000 0.822 518 A HN 0.492 nan 8.150 nan 0.000 0.447 519 L N -1.143 120.066 121.223 -0.024 0.000 2.027 519 L HA -0.145 4.058 4.340 -0.228 0.000 0.206 519 L C 3.080 179.946 176.870 -0.006 0.000 1.074 519 L CA 1.079 55.912 54.840 -0.013 0.000 0.745 519 L CB -0.527 41.521 42.059 -0.019 0.000 0.898 519 L HN 0.435 nan 8.230 nan 0.000 0.433 520 A N -0.216 122.595 122.820 -0.014 0.000 2.015 520 A HA -0.152 4.031 4.320 -0.228 0.000 0.219 520 A C 2.358 179.935 177.584 -0.011 0.000 1.163 520 A CA 1.676 53.707 52.037 -0.010 0.000 0.646 520 A CB -0.459 18.531 19.000 -0.016 0.000 0.806 520 A HN 0.523 nan 8.150 nan 0.000 0.448 521 S N -1.377 114.316 115.700 -0.012 0.000 2.548 521 S HA 0.075 4.407 4.470 -0.228 0.000 0.215 521 S C 0.224 174.818 174.600 -0.010 0.000 0.976 521 S CA 0.469 58.662 58.200 -0.011 0.000 0.908 521 S CB 0.040 63.234 63.200 -0.011 0.000 0.781 521 S HN 0.376 nan 8.310 nan 0.000 0.519 522 D N 2.116 122.511 120.400 -0.008 0.000 2.404 522 D HA 0.339 4.841 4.640 -0.228 0.000 0.267 522 D C -1.893 174.405 176.300 -0.004 0.000 1.194 522 D CA -2.306 51.690 54.000 -0.006 0.000 0.910 522 D CB 1.769 42.567 40.800 -0.004 0.000 1.090 522 D HN 0.018 nan 8.370 nan 0.000 0.511 523 P HA -0.097 nan 4.420 nan 0.000 0.220 523 P C 1.163 178.457 177.300 -0.011 0.000 1.148 523 P CA 0.606 63.698 63.100 -0.013 0.000 0.803 523 P CB 0.380 32.067 31.700 -0.022 0.000 0.782 524 A N 0.777 123.592 122.820 -0.008 0.000 1.898 524 A HA -0.006 4.177 4.320 -0.228 0.000 0.216 524 A C 2.497 180.085 177.584 0.006 0.000 1.181 524 A CA 1.983 54.017 52.037 -0.004 0.000 0.620 524 A CB -1.467 17.530 19.000 -0.005 0.000 0.819 524 A HN 0.235 nan 8.150 nan 0.000 0.442 525 A N -0.831 121.994 122.820 0.008 0.000 1.969 525 A HA 0.041 4.224 4.320 -0.228 0.000 0.218 525 A C 2.058 179.662 177.584 0.033 0.000 1.169 525 A CA 1.606 53.651 52.037 0.015 0.000 0.635 525 A CB -0.467 18.538 19.000 0.008 0.000 0.810 525 A HN 0.524 nan 8.150 nan 0.000 0.445 526 L N -0.404 120.843 121.223 0.041 0.000 2.093 526 L HA -0.053 4.150 4.340 -0.228 0.000 0.208 526 L C 2.424 179.384 176.870 0.150 0.000 1.085 526 L CA 2.553 57.448 54.840 0.093 0.000 0.755 526 L CB -1.154 40.947 42.059 0.070 0.000 0.904 526 L HN 0.342 nan 8.230 nan 0.000 0.435 527 T N -0.293 114.292 114.554 0.051 0.000 2.777 527 T HA -0.127 4.086 4.350 -0.228 0.000 0.266 527 T C 1.892 176.634 174.700 0.070 0.000 1.040 527 T CA 1.253 63.367 62.100 0.024 0.000 1.141 527 T CB -0.351 68.504 68.868 -0.021 0.000 0.868 527 T HN 0.491 nan 8.240 nan 0.000 0.444 528 A N 1.142 123.992 122.820 0.049 0.000 1.933 528 A HA -0.020 4.163 4.320 -0.228 0.000 0.218 528 A C 2.207 179.820 177.584 0.048 0.000 1.175 528 A CA 1.293 53.353 52.037 0.038 0.000 0.628 528 A CB -0.684 18.328 19.000 0.021 0.000 0.814 528 A HN 0.447 nan 8.150 nan 0.000 0.444 529 L N -1.126 120.136 121.223 0.065 0.000 2.156 529 L HA -0.091 4.111 4.340 -0.228 0.000 0.208 529 L C 2.235 179.117 176.870 0.020 0.000 1.095 529 L CA 1.904 56.764 54.840 0.033 0.000 0.770 529 L CB -0.704 41.368 42.059 0.021 0.000 0.914 529 L HN 0.513 nan 8.230 nan 0.000 0.439 530 H N -0.547 118.516 119.070 -0.012 0.000 2.353 530 H HA -0.051 4.368 4.556 -0.229 0.000 0.300 530 H C 2.090 177.402 175.328 -0.027 0.000 1.090 530 H CA 1.305 57.342 56.048 -0.018 0.000 1.327 530 H CB 0.041 29.794 29.762 -0.015 0.000 1.383 530 H HN 0.534 nan 8.280 nan 0.000 0.508 531 A N 1.169 124.048 122.820 0.097 0.000 1.972 531 A HA -0.182 4.001 4.320 -0.228 0.000 0.219 531 A C 2.416 180.006 177.584 0.010 0.000 1.169 531 A CA 1.491 53.550 52.037 0.037 0.000 0.635 531 A CB -0.436 18.580 19.000 0.027 0.000 0.810 531 A HN 0.314 nan 8.150 nan 0.000 0.446 532 R N -0.509 119.995 120.500 0.006 0.000 2.075 532 R HA -0.015 4.188 4.340 -0.228 0.000 0.226 532 R C 1.843 178.130 176.300 -0.021 0.000 1.114 532 R CA 1.330 57.426 56.100 -0.007 0.000 0.972 532 R CB -0.363 29.932 30.300 -0.008 0.000 0.869 532 R HN 0.236 nan 8.270 nan 0.000 0.437 533 V N 1.883 121.773 119.914 -0.041 0.000 2.278 533 V HA -0.302 3.681 4.120 -0.228 0.000 0.251 533 V C 1.916 177.986 176.094 -0.041 0.000 1.062 533 V CA 2.383 64.650 62.300 -0.055 0.000 1.038 533 V CB -0.650 31.102 31.823 -0.118 0.000 0.646 533 V HN 0.460 nan 8.190 nan 0.000 0.447 534 D N -0.386 119.987 120.400 -0.046 0.000 2.117 534 D HA -0.146 4.357 4.640 -0.228 0.000 0.197 534 D C 2.015 178.297 176.300 -0.030 0.000 0.987 534 D CA 1.367 55.333 54.000 -0.057 0.000 0.829 534 D CB -0.095 40.673 40.800 -0.053 0.000 0.961 534 D HN 0.218 nan 8.370 nan 0.000 0.460 535 V N 0.374 120.281 119.914 -0.012 0.000 2.295 535 V HA -0.215 3.768 4.120 -0.228 0.000 0.246 535 V C 2.546 178.651 176.094 0.018 0.000 1.049 535 V CA 1.294 63.596 62.300 0.003 0.000 1.024 535 V CB -0.432 31.393 31.823 0.003 0.000 0.648 535 V HN 0.331 nan 8.190 nan 0.000 0.447 536 L N -0.181 121.049 121.223 0.013 0.000 2.156 536 L HA -0.100 4.103 4.340 -0.228 0.000 0.208 536 L C 2.656 179.564 176.870 0.063 0.000 1.095 536 L CA 1.423 56.275 54.840 0.020 0.000 0.770 536 L CB -0.630 41.429 42.059 -0.000 0.000 0.914 536 L HN 0.313 nan 8.230 nan 0.000 0.439 537 R N 0.282 120.836 120.500 0.089 0.000 2.237 537 R HA -0.162 4.041 4.340 -0.228 0.000 0.219 537 R C 2.308 178.728 176.300 0.199 0.000 1.080 537 R CA 0.856 57.080 56.100 0.205 0.000 0.995 537 R CB 0.050 30.392 30.300 0.070 0.000 0.875 537 R HN 0.119 nan 8.270 nan 0.000 0.462 538 R N 0.517 121.090 120.500 0.121 0.000 2.087 538 R HA 0.190 4.393 4.340 -0.228 0.000 0.216 538 R C 1.836 178.281 176.300 0.242 0.000 1.114 538 R CA 1.657 57.857 56.100 0.166 0.000 1.002 538 R CB -0.776 29.575 30.300 0.086 0.000 0.903 538 R HN 0.244 nan 8.270 nan 0.000 0.445 539 A N 0.372 123.272 122.820 0.133 0.000 1.874 539 A HA 0.062 4.245 4.320 -0.228 0.000 0.214 539 A C 1.268 178.869 177.584 0.029 0.000 1.189 539 A CA 0.980 53.088 52.037 0.119 0.000 0.615 539 A CB -0.837 18.201 19.000 0.063 0.000 0.830 539 A HN 0.499 nan 8.150 nan 0.000 0.443 540 S N -1.118 114.542 115.700 -0.067 0.000 2.606 540 S HA 0.388 4.721 4.470 -0.228 0.000 0.257 540 S C 1.275 175.613 174.600 -0.436 0.000 1.327 540 S CA 0.099 58.202 58.200 -0.161 0.000 0.984 540 S CB 0.944 64.081 63.200 -0.105 0.000 0.941 540 S HN 0.650 nan 8.310 nan 0.000 0.576 541 G N -0.321 108.304 108.800 -0.291 0.000 2.623 541 G HA2 0.015 3.838 3.960 -0.228 0.000 0.214 541 G HA3 0.015 3.838 3.960 -0.228 0.000 0.214 541 G C 1.160 175.923 174.900 -0.228 0.000 1.138 541 G CA 0.409 45.342 45.100 -0.278 0.000 0.794 541 G HN 0.604 nan 8.290 nan 0.000 0.535 542 V N 0.040 119.795 119.914 -0.265 0.000 2.380 542 V HA -0.118 3.865 4.120 -0.228 0.000 0.251 542 V C 1.697 177.522 176.094 -0.449 0.000 1.063 542 V CA 1.403 63.468 62.300 -0.391 0.000 1.055 542 V CB -0.459 31.004 31.823 -0.600 0.000 0.657 542 V HN 0.438 nan 8.190 nan 0.000 0.455 543 F N -1.697 118.233 119.950 -0.032 0.000 2.791 543 F HA 0.333 4.723 4.527 -0.229 0.000 0.308 543 F C 0.683 176.604 175.800 0.202 0.000 1.138 543 F CA -0.371 57.666 58.000 0.063 0.000 1.294 543 F CB 0.089 39.227 39.000 0.230 0.000 0.975 543 F HN 0.204 nan 8.300 nan 0.000 0.512 544 H N 1.199 120.373 119.070 0.173 0.000 2.700 544 H HA 0.194 4.613 4.556 -0.229 0.000 0.269 544 H C 1.084 176.482 175.328 0.117 0.000 1.222 544 H CA -0.645 55.482 56.048 0.132 0.000 1.254 544 H CB 0.863 30.692 29.762 0.112 0.000 1.413 544 H HN 0.134 nan 8.280 nan 0.000 0.507 545 M N 0.996 120.695 119.600 0.164 0.000 2.476 545 M HA -0.094 4.249 4.480 -0.228 0.000 0.262 545 M C 0.866 177.231 176.300 0.108 0.000 1.079 545 M CA 0.737 56.081 55.300 0.074 0.000 1.104 545 M CB -0.241 32.305 32.600 -0.091 0.000 1.409 545 M HN 0.579 nan 8.290 nan 0.000 0.467 546 D N 0.724 121.183 120.400 0.098 0.000 2.078 546 D HA -0.100 4.403 4.640 -0.228 0.000 0.193 546 D C 2.092 178.465 176.300 0.122 0.000 0.990 546 D CA 1.815 55.864 54.000 0.082 0.000 0.827 546 D CB -0.636 40.190 40.800 0.042 0.000 0.975 546 D HN 0.412 nan 8.370 nan 0.000 0.451 547 G N -0.448 108.442 108.800 0.151 0.000 2.432 547 G HA2 -0.259 3.564 3.960 -0.228 0.000 0.219 547 G HA3 -0.259 3.564 3.960 -0.228 0.000 0.219 547 G C 1.556 176.545 174.900 0.148 0.000 1.135 547 G CA 0.152 45.336 45.100 0.141 0.000 0.767 547 G HN 0.240 nan 8.290 nan 0.000 0.550 548 F N 1.867 121.841 119.950 0.040 0.000 2.146 548 F HA 0.067 4.457 4.527 -0.229 0.000 0.298 548 F C 2.873 178.695 175.800 0.037 0.000 1.096 548 F CA 1.265 59.275 58.000 0.017 0.000 1.275 548 F CB 0.100 39.078 39.000 -0.036 0.000 1.008 548 F HN 0.231 nan 8.300 nan 0.000 0.480 549 A N -0.042 122.974 122.820 0.328 0.000 1.902 549 A HA -0.196 3.987 4.320 -0.228 0.000 0.217 549 A C 1.885 179.584 177.584 0.193 0.000 1.181 549 A CA 1.955 54.135 52.037 0.238 0.000 0.623 549 A CB -0.909 18.167 19.000 0.126 0.000 0.818 549 A HN 0.393 nan 8.150 nan 0.000 0.443 550 D N -0.076 120.404 120.400 0.132 0.000 2.104 550 D HA -0.167 4.336 4.640 -0.228 0.000 0.194 550 D C 1.637 177.977 176.300 0.067 0.000 0.994 550 D CA 1.802 55.855 54.000 0.089 0.000 0.830 550 D CB -0.482 40.358 40.800 0.066 0.000 0.959 550 D HN 0.604 nan 8.370 nan 0.000 0.452 551 D N -0.640 119.785 120.400 0.042 0.000 2.097 551 D HA -0.163 4.340 4.640 -0.228 0.000 0.197 551 D C 1.955 178.250 176.300 -0.009 0.000 0.984 551 D CA 0.512 54.498 54.000 -0.022 0.000 0.826 551 D CB -0.352 40.385 40.800 -0.105 0.000 0.973 551 D HN 0.054 nan 8.370 nan 0.000 0.460 552 F N 1.001 120.871 119.950 -0.134 0.000 2.065 552 F HA -0.096 4.294 4.527 -0.229 0.000 0.298 552 F C 2.297 178.063 175.800 -0.057 0.000 1.112 552 F CA 2.411 60.346 58.000 -0.107 0.000 1.212 552 F CB -0.772 38.218 39.000 -0.016 0.000 0.975 552 F HN 0.084 nan 8.300 nan 0.000 0.476 553 G N -0.807 108.043 108.800 0.082 0.000 2.418 553 G HA2 -0.225 3.598 3.960 -0.228 0.000 0.217 553 G HA3 -0.225 3.598 3.960 -0.228 0.000 0.217 553 G C 1.796 176.662 174.900 -0.056 0.000 1.158 553 G CA 0.869 45.969 45.100 -0.000 0.000 0.771 553 G HN 0.634 nan 8.290 nan 0.000 0.545 554 A N 0.311 123.115 122.820 -0.027 0.000 1.933 554 A HA 0.101 4.284 4.320 -0.228 0.000 0.218 554 A C 2.363 179.906 177.584 -0.068 0.000 1.175 554 A CA 1.556 53.579 52.037 -0.022 0.000 0.628 554 A CB -0.380 18.618 19.000 -0.003 0.000 0.814 554 A HN 0.437 nan 8.150 nan 0.000 0.444 555 L N -0.306 120.837 121.223 -0.133 0.000 2.046 555 L HA -0.113 4.090 4.340 -0.228 0.000 0.208 555 L C 2.327 179.067 176.870 -0.217 0.000 1.077 555 L CA 1.512 56.247 54.840 -0.174 0.000 0.747 555 L CB -0.264 41.657 42.059 -0.231 0.000 0.896 555 L HN 0.409 nan 8.230 nan 0.000 0.432 556 L N -0.915 120.127 121.223 -0.302 0.000 2.017 556 L HA -0.257 3.945 4.340 -0.228 0.000 0.208 556 L C 2.692 179.442 176.870 -0.201 0.000 1.073 556 L CA 1.592 56.256 54.840 -0.292 0.000 0.745 556 L CB -0.724 41.133 42.059 -0.335 0.000 0.894 556 L HN 0.401 nan 8.230 nan 0.000 0.432 557 Q N -0.305 119.422 119.800 -0.121 0.000 2.084 557 Q HA -0.199 4.004 4.340 -0.228 0.000 0.202 557 Q C 2.427 178.488 176.000 0.100 0.000 0.978 557 Q CA 1.632 57.444 55.803 0.016 0.000 0.844 557 Q CB -0.269 28.570 28.738 0.169 0.000 0.898 557 Q HN 0.571 nan 8.270 nan 0.000 0.426 558 A N 0.970 123.806 122.820 0.028 0.000 1.898 558 A HA -0.162 4.021 4.320 -0.228 0.000 0.216 558 A C 2.066 179.660 177.584 0.017 0.000 1.181 558 A CA 1.073 53.130 52.037 0.034 0.000 0.620 558 A CB -0.615 18.381 19.000 -0.007 0.000 0.819 558 A HN 0.335 nan 8.150 nan 0.000 0.442 559 L N -0.097 121.092 121.223 -0.058 0.000 2.042 559 L HA -0.110 4.093 4.340 -0.228 0.000 0.210 559 L C 2.608 179.510 176.870 0.054 0.000 1.076 559 L CA 2.239 57.032 54.840 -0.077 0.000 0.749 559 L CB -0.728 41.180 42.059 -0.250 0.000 0.893 559 L HN 0.344 nan 8.230 nan 0.000 0.432 560 A N -0.451 122.374 122.820 0.008 0.000 1.930 560 A HA -0.177 4.006 4.320 -0.228 0.000 0.217 560 A C 2.357 180.120 177.584 0.298 0.000 1.175 560 A CA 1.534 53.610 52.037 0.065 0.000 0.627 560 A CB -0.492 18.363 19.000 -0.242 0.000 0.815 560 A HN 0.528 nan 8.150 nan 0.000 0.443 561 R N -0.900 119.794 120.500 0.323 0.000 2.096 561 R HA -0.071 4.132 4.340 -0.228 0.000 0.235 561 R C 2.312 178.687 176.300 0.126 0.000 1.127 561 R CA 1.318 57.566 56.100 0.247 0.000 0.968 561 R CB -0.307 30.098 30.300 0.174 0.000 0.861 561 R HN 0.456 nan 8.270 nan 0.000 0.440 562 R N 0.267 120.816 120.500 0.082 0.000 2.241 562 R HA -0.092 4.111 4.340 -0.228 0.000 0.224 562 R C 0.650 176.842 176.300 -0.180 0.000 1.101 562 R CA 0.993 57.068 56.100 -0.043 0.000 0.995 562 R CB 0.098 30.361 30.300 -0.062 0.000 0.870 562 R HN 0.391 nan 8.270 nan 0.000 0.463 563 H N -2.034 117.071 119.070 0.059 0.000 2.475 563 H HA 0.199 4.618 4.556 -0.228 0.000 0.276 563 H C 0.705 176.085 175.328 0.087 0.000 1.126 563 H CA 0.567 56.652 56.048 0.062 0.000 1.023 563 H CB 1.450 31.242 29.762 0.052 0.000 1.669 563 H HN 0.464 nan 8.280 nan 0.000 0.573 564 G N 0.834 109.728 108.800 0.158 0.000 2.213 564 G HA2 -0.254 3.568 3.960 -0.228 0.000 0.226 564 G HA3 -0.254 3.568 3.960 -0.228 0.000 0.226 564 G C 0.005 175.019 174.900 0.189 0.000 0.992 564 G CA -0.157 45.025 45.100 0.136 0.000 0.632 564 G HN 0.386 nan 8.290 nan 0.000 0.511 565 W N 2.205 123.528 121.300 0.037 0.000 2.397 565 W HA 0.549 5.073 4.660 -0.227 0.000 0.327 565 W C 1.044 177.571 176.519 0.013 0.000 1.421 565 W CA 0.135 57.495 57.345 0.024 0.000 1.288 565 W CB 0.226 29.701 29.460 0.025 0.000 1.312 565 W HN 0.072 nan 8.180 nan 0.000 0.559 566 L N 6.765 127.719 121.223 -0.447 0.000 2.607 566 L HA 0.294 4.497 4.340 -0.228 0.000 0.228 566 L C 1.264 177.666 176.870 -0.780 0.000 1.123 566 L CA 0.694 55.265 54.840 -0.449 0.000 0.890 566 L CB -1.162 40.749 42.059 -0.248 0.000 1.103 566 L HN 0.782 nan 8.230 nan 0.000 0.468 567 G N 0.254 108.022 108.800 -1.721 0.000 2.498 567 G HA2 -0.126 3.697 3.960 -0.228 0.000 0.651 567 G HA3 -0.126 3.697 3.960 -0.228 0.000 0.651 567 G C -0.304 173.997 174.900 -0.999 0.000 1.284 567 G CA -0.863 43.099 45.100 -1.897 0.000 0.950 567 G HN -0.143 nan 8.290 nan 0.000 0.511 568 I N 0.000 120.327 120.570 -0.405 0.000 2.984 568 I HA 0.000 4.033 4.170 -0.228 0.000 0.288 568 I CA 0.000 61.276 61.300 -0.040 0.000 1.566 568 I CB 0.000 38.037 38.000 0.062 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494