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 3eox_1_A DATA FIRST_RESID 1 DATA SEQUENCE VHHPPSYVAH LASDFGVRVF QQVAQASKDR NVVFSPYGVA SVLAMLQLTT DATA SEQUENCE GGETQQQIQA AMGFKIDDKG MAPALRHLYK ELMGPWNKDE ISTTDAIFVQ DATA SEQUENCE RDLKLVQGFM PHFFRLFXXT VKQVDFSEVE RARFIINDWV KTHTKGMISH DATA SEQUENCE LLGTGAVDQL TRLVLVNALY FNGQWKTPFP DSSTHRRLFH KSDGSTVSVP DATA SEQUENCE MMAQTNKFNY TEFTTPDGHY YDILELPYHG DTLSMFIAAP YEKEVPLSAL DATA SEQUENCE TNILSAQLIS HWKGNMTRLP RLLVLPKFSL ETEVDLRKPL ENLGMTDMFR DATA SEQUENCE PFQADFTSLS DQEPLHVALA LQKVKIEVNE SGTVASSSTA VIVXXXXXXX DATA SEQUENCE EIIIDRPFLF VVRHNPTGTV LFMGQVMEP 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 175.996 176.094 -0.164 0.000 1.182 1 V CA 0.000 62.269 62.300 -0.051 0.000 1.235 1 V CB 0.000 31.815 31.823 -0.014 0.000 1.184 2 H N 3.197 122.269 119.070 0.004 0.000 2.458 2 H HA 0.373 4.929 4.556 0.000 0.000 0.330 2 H C 0.714 176.014 175.328 -0.046 0.000 1.111 2 H CA -0.202 55.823 56.048 -0.039 0.000 1.245 2 H CB 2.386 32.073 29.762 -0.124 0.000 1.456 2 H HN 0.883 nan 8.280 nan 0.000 0.488 3 H N 4.450 123.513 119.070 -0.011 0.000 2.299 3 H HA -0.063 4.493 4.556 0.000 0.000 0.302 3 H C -0.940 174.369 175.328 -0.033 0.000 1.078 3 H CA 1.447 57.480 56.048 -0.025 0.000 1.323 3 H CB -0.516 29.214 29.762 -0.053 0.000 1.381 3 H HN 0.455 nan 8.280 nan 0.000 0.498 4 P HA -0.166 nan 4.420 nan 0.000 0.213 4 P C -1.316 175.892 177.300 -0.154 0.000 1.170 4 P CA 2.695 65.715 63.100 -0.134 0.000 0.902 4 P CB -1.005 30.584 31.700 -0.184 0.000 0.789 5 P HA -0.054 nan 4.420 nan 0.000 0.219 5 P C 1.370 178.645 177.300 -0.041 0.000 1.150 5 P CA 1.605 64.639 63.100 -0.110 0.000 0.814 5 P CB -0.360 31.288 31.700 -0.087 0.000 0.787 6 S N -1.110 114.561 115.700 -0.050 0.000 2.402 6 S HA -0.143 4.327 4.470 0.000 0.000 0.229 6 S C 1.880 176.437 174.600 -0.072 0.000 1.021 6 S CA 0.652 58.833 58.200 -0.030 0.000 0.974 6 S CB -1.141 62.042 63.200 -0.028 0.000 0.800 6 S HN 0.163 nan 8.310 nan 0.000 0.484 7 Y N 1.700 121.813 120.300 -0.312 0.000 2.109 7 Y HA -0.084 4.466 4.550 -0.000 0.000 0.285 7 Y C 2.424 178.214 175.900 -0.182 0.000 1.131 7 Y CA 1.405 59.316 58.100 -0.314 0.000 1.121 7 Y CB -0.696 37.489 38.460 -0.457 0.000 0.987 7 Y HN 0.063 nan 8.280 nan 0.000 0.495 8 V N 0.583 120.409 119.914 -0.147 0.000 2.667 8 V HA -0.150 3.970 4.120 0.000 0.000 0.252 8 V C 2.270 178.247 176.094 -0.195 0.000 1.065 8 V CA 1.683 63.786 62.300 -0.328 0.000 1.083 8 V CB -0.938 30.703 31.823 -0.305 0.000 0.692 8 V HN 0.593 nan 8.190 nan 0.000 0.468 9 A N -1.063 121.719 122.820 -0.064 0.000 1.929 9 A HA -0.237 4.083 4.320 0.000 0.000 0.216 9 A C 2.227 179.818 177.584 0.012 0.000 1.176 9 A CA 1.655 53.709 52.037 0.029 0.000 0.628 9 A CB -0.903 18.134 19.000 0.061 0.000 0.816 9 A HN 0.771 nan 8.150 nan 0.000 0.444 10 H N 0.253 119.250 119.070 -0.121 0.000 2.326 10 H HA -0.032 4.524 4.556 0.000 0.000 0.301 10 H C 1.881 177.147 175.328 -0.103 0.000 1.081 10 H CA 1.833 57.809 56.048 -0.120 0.000 1.334 10 H CB -0.188 29.475 29.762 -0.165 0.000 1.385 10 H HN 0.411 nan 8.280 nan 0.000 0.504 11 L N 0.304 121.462 121.223 -0.109 0.000 2.046 11 L HA -0.151 4.189 4.340 0.000 0.000 0.208 11 L C 3.166 180.086 176.870 0.085 0.000 1.077 11 L CA 1.057 55.871 54.840 -0.043 0.000 0.747 11 L CB -0.683 41.334 42.059 -0.070 0.000 0.896 11 L HN 0.283 nan 8.230 nan 0.000 0.432 12 A N -0.407 122.470 122.820 0.095 0.000 1.858 12 A HA -0.199 4.121 4.320 0.000 0.000 0.216 12 A C 2.515 180.212 177.584 0.190 0.000 1.190 12 A CA 2.193 54.359 52.037 0.215 0.000 0.617 12 A CB -0.685 18.428 19.000 0.189 0.000 0.827 12 A HN 0.376 nan 8.150 nan 0.000 0.443 13 S N -0.377 115.363 115.700 0.068 0.000 2.368 13 S HA -0.157 4.313 4.470 0.000 0.000 0.225 13 S C 1.780 176.350 174.600 -0.051 0.000 1.030 13 S CA 1.475 59.680 58.200 0.009 0.000 0.999 13 S CB -0.432 62.736 63.200 -0.054 0.000 0.844 13 S HN 0.699 nan 8.310 nan 0.000 0.459 14 D N 0.601 120.913 120.400 -0.146 0.000 2.117 14 D HA -0.102 4.538 4.640 0.000 0.000 0.197 14 D C 1.637 177.940 176.300 0.005 0.000 0.987 14 D CA 0.826 54.731 54.000 -0.158 0.000 0.829 14 D CB -0.224 40.402 40.800 -0.290 0.000 0.961 14 D HN 0.327 nan 8.370 nan 0.000 0.460 15 F N 0.559 120.487 119.950 -0.037 0.000 2.134 15 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 15 F C 2.118 177.953 175.800 0.058 0.000 1.097 15 F CA 1.994 60.004 58.000 0.017 0.000 1.264 15 F CB -0.641 38.386 39.000 0.045 0.000 1.001 15 F HN -0.006 nan 8.300 nan 0.000 0.479 16 G N 0.108 108.877 108.800 -0.051 0.000 2.418 16 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 16 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 16 G C 1.751 176.658 174.900 0.012 0.000 1.158 16 G CA 1.141 46.223 45.100 -0.030 0.000 0.771 16 G HN 0.349 nan 8.290 nan 0.000 0.545 17 V N 0.775 120.679 119.914 -0.017 0.000 2.343 17 V HA -0.193 3.927 4.120 0.000 0.000 0.247 17 V C 2.922 179.001 176.094 -0.025 0.000 1.051 17 V CA 1.991 64.288 62.300 -0.004 0.000 1.036 17 V CB -0.473 31.313 31.823 -0.062 0.000 0.654 17 V HN 0.328 nan 8.190 nan 0.000 0.451 18 R N -0.457 119.981 120.500 -0.103 0.000 2.120 18 R HA -0.112 4.228 4.340 0.000 0.000 0.234 18 R C 2.190 178.366 176.300 -0.206 0.000 1.123 18 R CA 1.350 57.373 56.100 -0.129 0.000 0.975 18 R CB -0.479 29.761 30.300 -0.100 0.000 0.866 18 R HN 0.435 nan 8.270 nan 0.000 0.446 19 V N 0.633 120.362 119.914 -0.308 0.000 2.379 19 V HA -0.219 3.901 4.120 0.000 0.000 0.245 19 V C 1.903 177.711 176.094 -0.476 0.000 1.044 19 V CA 1.517 63.604 62.300 -0.355 0.000 1.036 19 V CB -0.570 31.053 31.823 -0.334 0.000 0.664 19 V HN 0.199 nan 8.190 nan 0.000 0.453 20 F N 1.366 120.917 119.950 -0.665 0.000 2.095 20 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 20 F C 2.509 178.065 175.800 -0.406 0.000 1.104 20 F CA 2.020 59.577 58.000 -0.738 0.000 1.232 20 F CB -0.435 38.306 39.000 -0.433 0.000 0.987 20 F HN 0.149 nan 8.300 nan 0.000 0.475 21 Q N -0.365 119.229 119.800 -0.343 0.000 2.197 21 Q HA -0.247 4.093 4.340 0.000 0.000 0.207 21 Q C 2.163 177.945 176.000 -0.364 0.000 0.984 21 Q CA 1.617 57.208 55.803 -0.354 0.000 0.869 21 Q CB -0.286 28.365 28.738 -0.145 0.000 0.906 21 Q HN 0.525 nan 8.270 nan 0.000 0.426 22 Q N -0.300 119.305 119.800 -0.326 0.000 2.123 22 Q HA -0.084 4.256 4.340 0.000 0.000 0.199 22 Q C 2.257 178.079 176.000 -0.297 0.000 0.966 22 Q CA 1.039 56.687 55.803 -0.259 0.000 0.845 22 Q CB -0.049 28.565 28.738 -0.205 0.000 0.907 22 Q HN 0.288 nan 8.270 nan 0.000 0.439 23 V N 1.012 120.676 119.914 -0.416 0.000 2.453 23 V HA -0.150 3.970 4.120 0.000 0.000 0.247 23 V C 2.349 178.210 176.094 -0.388 0.000 1.048 23 V CA 1.536 63.614 62.300 -0.370 0.000 1.049 23 V CB -0.998 30.579 31.823 -0.409 0.000 0.672 23 V HN 0.263 nan 8.190 nan 0.000 0.457 24 A N -0.466 121.988 122.820 -0.610 0.000 1.969 24 A HA -0.280 4.040 4.320 0.000 0.000 0.218 24 A C 2.185 179.594 177.584 -0.293 0.000 1.169 24 A CA 1.998 53.721 52.037 -0.524 0.000 0.635 24 A CB -0.459 18.069 19.000 -0.787 0.000 0.810 24 A HN 0.553 nan 8.150 nan 0.000 0.445 25 Q N -0.338 119.305 119.800 -0.263 0.000 2.084 25 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 25 Q C 2.085 178.009 176.000 -0.128 0.000 0.978 25 Q CA 1.950 57.654 55.803 -0.164 0.000 0.844 25 Q CB -0.430 28.220 28.738 -0.147 0.000 0.898 25 Q HN 0.591 nan 8.270 nan 0.000 0.426 26 A N -0.284 122.453 122.820 -0.139 0.000 1.968 26 A HA -0.041 4.279 4.320 0.000 0.000 0.217 26 A C 1.379 178.913 177.584 -0.082 0.000 1.169 26 A CA 1.213 53.189 52.037 -0.100 0.000 0.638 26 A CB -0.126 18.814 19.000 -0.100 0.000 0.812 26 A HN 0.391 nan 8.150 nan 0.000 0.446 27 S N -0.908 114.733 115.700 -0.099 0.000 2.257 27 S HA 0.346 4.816 4.470 0.000 0.000 0.191 27 S C 0.650 175.210 174.600 -0.067 0.000 1.386 27 S CA -0.085 58.075 58.200 -0.068 0.000 1.233 27 S CB 0.795 63.961 63.200 -0.057 0.000 1.138 27 S HN 0.487 nan 8.310 nan 0.000 0.483 28 K N 1.884 122.249 120.400 -0.059 0.000 2.052 28 K HA -0.212 4.108 4.320 0.000 0.000 0.215 28 K C 0.054 176.639 176.600 -0.025 0.000 1.053 28 K CA 2.138 58.396 56.287 -0.048 0.000 0.934 28 K CB -0.099 32.383 32.500 -0.031 0.000 0.717 28 K HN 0.409 nan 8.250 nan 0.000 0.450 29 D N 0.173 120.566 120.400 -0.010 0.000 2.525 29 D HA 0.121 4.761 4.640 0.000 0.000 0.229 29 D C -0.501 175.806 176.300 0.011 0.000 1.202 29 D CA 0.088 54.094 54.000 0.009 0.000 0.828 29 D CB 0.453 41.264 40.800 0.017 0.000 1.008 29 D HN 0.136 nan 8.370 nan 0.000 0.493 30 R N 0.466 120.965 120.500 -0.000 0.000 2.711 30 R HA 0.324 4.664 4.340 0.000 0.000 0.284 30 R C -0.133 176.173 176.300 0.009 0.000 0.968 30 R CA -0.801 55.302 56.100 0.006 0.000 0.924 30 R CB 1.214 31.515 30.300 0.002 0.000 1.162 30 R HN -0.165 nan 8.270 nan 0.000 0.465 31 N N 1.004 119.713 118.700 0.015 0.000 2.411 31 N HA 0.041 4.781 4.740 0.000 0.000 0.261 31 N C -0.981 174.571 175.510 0.070 0.000 1.248 31 N CA 0.398 53.462 53.050 0.023 0.000 0.885 31 N CB 0.772 39.268 38.487 0.015 0.000 1.062 31 N HN 0.160 nan 8.380 nan 0.000 0.471 32 V N 2.491 122.473 119.914 0.113 0.000 2.531 32 V HA 0.381 4.501 4.120 0.000 0.000 0.301 32 V C -0.235 176.036 176.094 0.295 0.000 1.034 32 V CA -0.896 61.521 62.300 0.195 0.000 0.865 32 V CB 2.168 34.095 31.823 0.174 0.000 0.995 32 V HN 0.327 nan 8.190 nan 0.000 0.424 33 V N 6.095 126.211 119.914 0.336 0.000 2.495 33 V HA 0.803 4.923 4.120 0.000 0.000 0.298 33 V C -1.481 174.891 176.094 0.464 0.000 1.031 33 V CA -0.345 62.200 62.300 0.408 0.000 0.871 33 V CB 1.664 33.757 31.823 0.451 0.000 0.988 33 V HN 0.725 nan 8.190 nan 0.000 0.432 34 F N 4.108 124.196 119.950 0.229 0.000 2.629 34 F HA 0.752 5.279 4.527 -0.000 0.000 0.316 34 F C -0.246 175.656 175.800 0.170 0.000 1.081 34 F CA -0.388 57.736 58.000 0.206 0.000 0.954 34 F CB 2.415 41.568 39.000 0.255 0.000 1.337 34 F HN 0.441 nan 8.300 nan 0.000 0.474 35 S N 4.339 119.572 115.700 -0.778 0.000 2.664 35 S HA 0.431 4.901 4.470 0.000 0.000 0.262 35 S C -2.443 171.798 174.600 -0.599 0.000 1.229 35 S CA -1.410 56.433 58.200 -0.595 0.000 1.151 35 S CB 1.058 63.943 63.200 -0.525 0.000 1.054 35 S HN 0.370 nan 8.310 nan 0.000 0.483 36 P HA -0.095 nan 4.420 nan 0.000 0.216 36 P C 0.958 178.276 177.300 0.029 0.000 1.153 36 P CA 0.747 63.868 63.100 0.035 0.000 0.848 36 P CB -0.053 31.691 31.700 0.073 0.000 0.787 37 Y N 0.648 120.867 120.300 -0.135 0.000 2.293 37 Y HA -0.071 4.479 4.550 0.001 0.000 0.291 37 Y C 2.344 178.204 175.900 -0.066 0.000 1.137 37 Y CA 1.838 59.891 58.100 -0.078 0.000 1.202 37 Y CB -1.030 37.351 38.460 -0.132 0.000 0.990 37 Y HN -0.142 nan 8.280 nan 0.000 0.537 38 G N -0.588 108.120 108.800 -0.154 0.000 2.433 38 G HA2 -0.283 3.677 3.960 0.000 0.000 0.216 38 G HA3 -0.283 3.677 3.960 0.000 0.000 0.216 38 G C 1.750 176.570 174.900 -0.132 0.000 1.186 38 G CA 1.164 46.157 45.100 -0.177 0.000 0.779 38 G HN 0.386 nan 8.290 nan 0.000 0.543 39 V N 1.131 120.987 119.914 -0.097 0.000 2.548 39 V HA 0.129 4.250 4.120 0.000 0.000 0.249 39 V C 3.093 179.300 176.094 0.188 0.000 1.055 39 V CA 2.114 64.452 62.300 0.064 0.000 1.065 39 V CB -0.387 31.526 31.823 0.151 0.000 0.681 39 V HN 0.427 nan 8.190 nan 0.000 0.462 40 A N -0.970 121.961 122.820 0.185 0.000 1.969 40 A HA -0.149 4.171 4.320 0.000 0.000 0.218 40 A C 2.446 180.053 177.584 0.037 0.000 1.169 40 A CA 2.082 54.259 52.037 0.234 0.000 0.635 40 A CB -0.671 18.480 19.000 0.251 0.000 0.810 40 A HN 0.551 nan 8.150 nan 0.000 0.445 41 S N -0.416 115.206 115.700 -0.130 0.000 2.368 41 S HA -0.144 4.326 4.470 0.000 0.000 0.225 41 S C 2.034 176.605 174.600 -0.048 0.000 1.030 41 S CA 1.690 59.798 58.200 -0.153 0.000 0.999 41 S CB -0.560 62.447 63.200 -0.322 0.000 0.844 41 S HN 0.734 nan 8.310 nan 0.000 0.459 42 V N -0.370 119.528 119.914 -0.026 0.000 2.453 42 V HA 0.029 4.149 4.120 0.000 0.000 0.247 42 V C 1.994 178.090 176.094 0.004 0.000 1.048 42 V CA 1.103 63.396 62.300 -0.012 0.000 1.049 42 V CB -0.901 30.937 31.823 0.024 0.000 0.672 42 V HN 0.256 nan 8.190 nan 0.000 0.457 43 L N 1.086 122.330 121.223 0.035 0.000 2.217 43 L HA 0.168 4.508 4.340 0.000 0.000 0.211 43 L C 2.778 179.620 176.870 -0.047 0.000 1.107 43 L CA 1.801 56.641 54.840 0.000 0.000 0.783 43 L CB -1.036 41.035 42.059 0.020 0.000 0.919 43 L HN 0.355 nan 8.230 nan 0.000 0.442 44 A N -1.017 121.810 122.820 0.012 0.000 1.902 44 A HA -0.230 4.090 4.320 0.000 0.000 0.217 44 A C 2.338 180.056 177.584 0.223 0.000 1.181 44 A CA 1.819 53.934 52.037 0.131 0.000 0.623 44 A CB -0.449 18.739 19.000 0.313 0.000 0.818 44 A HN 0.356 nan 8.150 nan 0.000 0.443 45 M N -1.382 118.235 119.600 0.028 0.000 2.159 45 M HA -0.101 4.379 4.480 0.000 0.000 0.263 45 M C 2.042 178.370 176.300 0.046 0.000 1.063 45 M CA 1.182 56.384 55.300 -0.164 0.000 1.110 45 M CB -0.237 32.166 32.600 -0.329 0.000 1.374 45 M HN 0.426 nan 8.290 nan 0.000 0.411 46 L N 0.405 121.644 121.223 0.027 0.000 2.275 46 L HA -0.181 4.159 4.340 0.000 0.000 0.215 46 L C 2.205 179.072 176.870 -0.003 0.000 1.119 46 L CA 1.722 56.579 54.840 0.028 0.000 0.790 46 L CB -0.499 41.558 42.059 -0.004 0.000 0.919 46 L HN 0.318 nan 8.230 nan 0.000 0.443 47 Q N -1.359 118.445 119.800 0.007 0.000 2.226 47 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 47 Q C 2.095 178.127 176.000 0.053 0.000 0.975 47 Q CA 1.344 57.136 55.803 -0.018 0.000 0.866 47 Q CB -0.148 28.573 28.738 -0.028 0.000 0.915 47 Q HN 0.429 nan 8.270 nan 0.000 0.440 48 L N 0.292 121.618 121.223 0.172 0.000 2.179 48 L HA -0.096 4.244 4.340 0.000 0.000 0.208 48 L C 2.362 179.424 176.870 0.320 0.000 1.096 48 L CA 1.782 56.780 54.840 0.263 0.000 0.779 48 L CB -0.232 42.070 42.059 0.404 0.000 0.922 48 L HN 0.251 nan 8.230 nan 0.000 0.443 49 T N -4.781 109.924 114.554 0.251 0.000 3.051 49 T HA 0.074 4.424 4.350 0.000 0.000 0.255 49 T C 0.919 175.598 174.700 -0.034 0.000 1.085 49 T CA 0.462 62.676 62.100 0.190 0.000 1.109 49 T CB -0.796 68.203 68.868 0.219 0.000 0.921 49 T HN 0.402 nan 8.240 nan 0.000 0.488 50 T N -0.719 113.706 114.554 -0.216 0.000 2.912 50 T HA 0.736 5.086 4.350 0.000 0.000 0.280 50 T C 0.301 174.863 174.700 -0.230 0.000 0.989 50 T CA -0.410 61.410 62.100 -0.467 0.000 0.995 50 T CB 1.630 70.138 68.868 -0.600 0.000 1.077 50 T HN 0.495 nan 8.240 nan 0.000 0.531 51 G N -2.073 106.591 108.800 -0.227 0.000 2.727 51 G HA2 0.665 4.625 3.960 0.000 0.000 0.289 51 G HA3 0.665 4.625 3.960 0.000 0.000 0.289 51 G C 0.312 175.147 174.900 -0.107 0.000 1.418 51 G CA -0.047 44.980 45.100 -0.121 0.000 0.818 51 G HN 1.469 nan 8.290 nan 0.000 0.486 52 G N -0.205 108.555 108.800 -0.066 0.000 2.611 52 G HA2 -0.324 3.636 3.960 0.000 0.000 0.301 52 G HA3 -0.324 3.636 3.960 0.000 0.000 0.301 52 G C 1.012 175.878 174.900 -0.056 0.000 1.233 52 G CA 0.993 46.063 45.100 -0.049 0.000 0.993 52 G HN 0.902 nan 8.290 nan 0.000 0.553 53 E N -0.173 119.998 120.200 -0.048 0.000 2.385 53 E HA 0.049 4.399 4.350 0.000 0.000 0.194 53 E C 2.642 179.205 176.600 -0.062 0.000 1.013 53 E CA 1.020 57.394 56.400 -0.044 0.000 0.866 53 E CB -0.071 29.615 29.700 -0.023 0.000 0.832 53 E HN 0.499 nan 8.360 nan 0.000 0.500 54 T N 0.869 115.367 114.554 -0.092 0.000 2.708 54 T HA -0.204 4.146 4.350 0.000 0.000 0.266 54 T C 1.781 176.384 174.700 -0.162 0.000 1.037 54 T CA 1.359 63.377 62.100 -0.136 0.000 1.146 54 T CB -0.106 68.629 68.868 -0.222 0.000 0.865 54 T HN 0.238 nan 8.240 nan 0.000 0.435 55 Q N 0.239 119.937 119.800 -0.171 0.000 2.046 55 Q HA -0.156 4.184 4.340 0.000 0.000 0.200 55 Q C 2.430 178.358 176.000 -0.121 0.000 0.975 55 Q CA 1.044 56.753 55.803 -0.158 0.000 0.836 55 Q CB -0.030 28.626 28.738 -0.137 0.000 0.896 55 Q HN 0.386 nan 8.270 nan 0.000 0.428 56 Q N 0.457 120.202 119.800 -0.092 0.000 2.112 56 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 56 Q C 1.978 177.935 176.000 -0.073 0.000 0.987 56 Q CA 1.772 57.532 55.803 -0.070 0.000 0.858 56 Q CB -0.282 28.429 28.738 -0.046 0.000 0.905 56 Q HN 0.560 nan 8.270 nan 0.000 0.420 57 Q N -0.117 119.644 119.800 -0.065 0.000 2.084 57 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 57 Q C 2.240 178.200 176.000 -0.066 0.000 0.978 57 Q CA 1.024 56.800 55.803 -0.044 0.000 0.844 57 Q CB -0.113 28.613 28.738 -0.020 0.000 0.898 57 Q HN 0.397 nan 8.270 nan 0.000 0.426 58 I N 0.521 121.026 120.570 -0.107 0.000 2.202 58 I HA -0.304 3.866 4.170 0.000 0.000 0.242 58 I C 2.332 178.295 176.117 -0.256 0.000 1.091 58 I CA 1.250 62.450 61.300 -0.166 0.000 1.368 58 I CB -0.321 37.569 38.000 -0.182 0.000 1.058 58 I HN 0.255 nan 8.210 nan 0.000 0.410 59 Q N 0.735 120.399 119.800 -0.225 0.000 2.096 59 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 59 Q C 2.471 178.350 176.000 -0.203 0.000 0.982 59 Q CA 1.869 57.517 55.803 -0.259 0.000 0.850 59 Q CB -0.322 28.316 28.738 -0.167 0.000 0.901 59 Q HN 0.595 nan 8.270 nan 0.000 0.422 60 A N 0.894 123.643 122.820 -0.120 0.000 1.930 60 A HA -0.082 4.238 4.320 0.000 0.000 0.217 60 A C 2.248 179.801 177.584 -0.052 0.000 1.175 60 A CA 1.532 53.532 52.037 -0.063 0.000 0.627 60 A CB -0.646 18.337 19.000 -0.030 0.000 0.815 60 A HN 0.396 nan 8.150 nan 0.000 0.443 61 A N -0.766 122.014 122.820 -0.067 0.000 1.968 61 A HA 0.033 4.353 4.320 0.000 0.000 0.217 61 A C 2.180 179.725 177.584 -0.065 0.000 1.169 61 A CA 1.523 53.570 52.037 0.016 0.000 0.638 61 A CB -0.424 18.647 19.000 0.119 0.000 0.812 61 A HN 0.515 nan 8.150 nan 0.000 0.446 62 M N -1.945 117.423 119.600 -0.386 0.000 2.388 62 M HA 0.147 4.627 4.480 0.000 0.000 0.265 62 M C 1.528 177.735 176.300 -0.155 0.000 1.088 62 M CA 0.998 55.962 55.300 -0.561 0.000 1.134 62 M CB 0.151 32.163 32.600 -0.981 0.000 1.384 62 M HN 0.628 nan 8.290 nan 0.000 0.447 63 G N 1.699 110.435 108.800 -0.107 0.000 2.157 63 G HA2 -0.257 3.703 3.960 0.000 0.000 0.239 63 G HA3 -0.257 3.703 3.960 0.000 0.000 0.239 63 G C -0.120 174.902 174.900 0.202 0.000 0.982 63 G CA 0.181 45.324 45.100 0.072 0.000 0.650 63 G HN 0.557 nan 8.290 nan 0.000 0.527 64 F N -1.615 118.315 119.950 -0.034 0.000 2.693 64 F HA 0.782 5.309 4.527 0.000 0.000 0.309 64 F C -0.778 175.015 175.800 -0.011 0.000 1.129 64 F CA -2.011 55.994 58.000 0.009 0.000 0.948 64 F CB 0.797 39.824 39.000 0.045 0.000 1.315 64 F HN -0.016 nan 8.300 nan 0.000 0.447 65 K N 2.504 122.989 120.400 0.141 0.000 2.213 65 K HA 0.397 4.717 4.320 0.000 0.000 0.270 65 K C 0.398 177.110 176.600 0.188 0.000 1.002 65 K CA -0.779 55.536 56.287 0.046 0.000 0.868 65 K CB 2.438 34.963 32.500 0.042 0.000 1.093 65 K HN 0.744 nan 8.250 nan 0.000 0.454 66 I N 2.060 122.705 120.570 0.125 0.000 2.423 66 I HA -0.244 3.927 4.170 0.000 0.000 0.254 66 I C 1.127 177.302 176.117 0.095 0.000 1.151 66 I CA 1.820 63.230 61.300 0.182 0.000 1.421 66 I CB -0.118 37.977 38.000 0.158 0.000 1.079 66 I HN 0.678 nan 8.210 nan 0.000 0.431 67 D N -0.290 120.159 120.400 0.082 0.000 2.350 67 D HA -0.011 4.629 4.640 0.000 0.000 0.213 67 D C 0.246 176.577 176.300 0.052 0.000 1.031 67 D CA 0.077 54.120 54.000 0.071 0.000 0.861 67 D CB -0.043 40.808 40.800 0.085 0.000 0.926 67 D HN 0.274 nan 8.370 nan 0.000 0.520 68 D N 0.866 121.304 120.400 0.063 0.000 2.399 68 D HA -0.002 4.638 4.640 0.000 0.000 0.241 68 D C 0.215 176.526 176.300 0.018 0.000 1.133 68 D CA 0.065 54.094 54.000 0.048 0.000 0.890 68 D CB 0.672 41.516 40.800 0.074 0.000 1.201 68 D HN -0.022 nan 8.370 nan 0.000 0.432 69 K N 0.329 120.729 120.400 -0.001 0.000 2.511 69 K HA 0.145 4.465 4.320 0.000 0.000 0.280 69 K C 1.089 177.663 176.600 -0.042 0.000 1.008 69 K CA 0.891 57.162 56.287 -0.026 0.000 1.050 69 K CB 0.072 32.556 32.500 -0.028 0.000 0.889 69 K HN 0.608 nan 8.250 nan 0.000 0.484 70 G N 3.554 112.319 108.800 -0.058 0.000 2.184 70 G HA2 -0.313 3.647 3.960 0.000 0.000 0.264 70 G HA3 -0.313 3.647 3.960 0.000 0.000 0.264 70 G C 0.582 175.435 174.900 -0.078 0.000 0.975 70 G CA 0.529 45.585 45.100 -0.072 0.000 0.642 70 G HN 0.616 nan 8.290 nan 0.000 0.536 71 M N 0.724 120.289 119.600 -0.058 0.000 2.193 71 M HA 0.525 5.005 4.480 0.000 0.000 0.265 71 M C 2.676 178.918 176.300 -0.096 0.000 1.071 71 M CA 2.523 57.794 55.300 -0.050 0.000 1.140 71 M CB -0.452 32.178 32.600 0.048 0.000 1.369 71 M HN 0.623 nan 8.290 nan 0.000 0.423 72 A N 0.057 122.797 122.820 -0.133 0.000 1.898 72 A HA 0.052 4.372 4.320 0.000 0.000 0.214 72 A C -0.427 177.027 177.584 -0.217 0.000 1.183 72 A CA 0.888 52.784 52.037 -0.236 0.000 0.622 72 A CB -2.022 16.773 19.000 -0.341 0.000 0.824 72 A HN 0.362 nan 8.150 nan 0.000 0.444 73 P HA -0.183 nan 4.420 nan 0.000 0.216 73 P C 1.661 178.899 177.300 -0.103 0.000 1.150 73 P CA 2.064 65.082 63.100 -0.138 0.000 0.843 73 P CB -0.076 31.562 31.700 -0.103 0.000 0.787 74 A N -1.067 121.689 122.820 -0.106 0.000 1.930 74 A HA -0.122 4.198 4.320 0.000 0.000 0.217 74 A C 2.217 179.746 177.584 -0.091 0.000 1.175 74 A CA 1.212 53.189 52.037 -0.099 0.000 0.627 74 A CB -1.517 17.420 19.000 -0.104 0.000 0.815 74 A HN 0.125 nan 8.150 nan 0.000 0.443 75 L N -1.087 120.071 121.223 -0.108 0.000 2.093 75 L HA -0.136 4.204 4.340 0.000 0.000 0.208 75 L C 2.883 179.651 176.870 -0.170 0.000 1.085 75 L CA 1.062 55.871 54.840 -0.053 0.000 0.755 75 L CB -0.335 41.725 42.059 0.002 0.000 0.904 75 L HN 0.360 nan 8.230 nan 0.000 0.435 76 R N -1.462 118.851 120.500 -0.310 0.000 2.075 76 R HA -0.166 4.174 4.340 0.000 0.000 0.232 76 R C 2.352 178.235 176.300 -0.694 0.000 1.126 76 R CA 1.002 56.673 56.100 -0.714 0.000 0.963 76 R CB -0.570 29.495 30.300 -0.392 0.000 0.858 76 R HN 0.356 nan 8.270 nan 0.000 0.435 77 H N 1.381 120.214 119.070 -0.395 0.000 2.352 77 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 77 H C 1.978 177.172 175.328 -0.224 0.000 1.097 77 H CA 1.541 57.428 56.048 -0.268 0.000 1.311 77 H CB -0.086 29.566 29.762 -0.184 0.000 1.377 77 H HN 0.066 nan 8.280 nan 0.000 0.504 78 L N 1.406 122.633 121.223 0.005 0.000 1.955 78 L HA -0.227 4.113 4.340 0.000 0.000 0.213 78 L C 2.635 179.515 176.870 0.017 0.000 1.072 78 L CA 2.422 57.287 54.840 0.041 0.000 0.755 78 L CB -1.658 40.445 42.059 0.073 0.000 0.888 78 L HN 0.469 nan 8.230 nan 0.000 0.432 79 Y N -1.992 118.358 120.300 0.085 0.000 2.497 79 Y HA -0.006 4.544 4.550 0.000 0.000 0.292 79 Y C 2.014 177.909 175.900 -0.008 0.000 1.137 79 Y CA 0.583 58.705 58.100 0.037 0.000 1.285 79 Y CB -0.715 37.823 38.460 0.130 0.000 0.991 79 Y HN 0.053 nan 8.280 nan 0.000 0.556 80 K N 1.283 121.668 120.400 -0.025 0.000 2.097 80 K HA -0.117 4.203 4.320 0.000 0.000 0.205 80 K C 1.783 178.415 176.600 0.054 0.000 1.050 80 K CA 1.315 57.610 56.287 0.014 0.000 0.938 80 K CB -0.238 32.186 32.500 -0.126 0.000 0.718 80 K HN 0.590 nan 8.250 nan 0.000 0.442 81 E N 0.741 121.007 120.200 0.111 0.000 2.077 81 E HA -0.107 4.243 4.350 0.000 0.000 0.193 81 E C 2.142 178.743 176.600 0.001 0.000 0.989 81 E CA 0.752 57.318 56.400 0.277 0.000 0.800 81 E CB -0.053 29.833 29.700 0.310 0.000 0.746 81 E HN 0.209 nan 8.360 nan 0.000 0.452 82 L N -0.058 121.048 121.223 -0.195 0.000 2.141 82 L HA -0.116 4.224 4.340 0.000 0.000 0.209 82 L C 2.387 179.104 176.870 -0.255 0.000 1.094 82 L CA 0.885 55.497 54.840 -0.379 0.000 0.763 82 L CB -0.154 41.690 42.059 -0.358 0.000 0.908 82 L HN 0.151 nan 8.230 nan 0.000 0.437 83 M N -0.657 118.834 119.600 -0.182 0.000 2.428 83 M HA 0.146 4.626 4.480 0.000 0.000 0.239 83 M C 1.061 177.154 176.300 -0.344 0.000 1.121 83 M CA -0.156 55.041 55.300 -0.172 0.000 1.019 83 M CB 0.090 32.668 32.600 -0.037 0.000 1.485 83 M HN 0.177 nan 8.290 nan 0.000 0.484 84 G N 1.808 110.200 108.800 -0.679 0.000 2.491 84 G HA2 0.090 4.050 3.960 0.000 0.000 0.238 84 G HA3 0.090 4.050 3.960 0.000 0.000 0.238 84 G C -1.807 172.437 174.900 -1.092 0.000 1.277 84 G CA -0.952 43.359 45.100 -1.315 0.000 0.851 84 G HN 0.137 nan 8.290 nan 0.000 0.573 85 P HA -0.121 nan 4.420 nan 0.000 0.218 85 P C 1.492 178.691 177.300 -0.168 0.000 1.149 85 P CA 1.479 64.430 63.100 -0.249 0.000 0.817 85 P CB -0.064 31.613 31.700 -0.038 0.000 0.785 86 W N 1.116 122.439 121.300 0.038 0.000 2.387 86 W HA -0.053 4.607 4.660 0.000 0.000 0.272 86 W C 1.397 177.936 176.519 0.035 0.000 1.224 86 W CA 0.577 57.943 57.345 0.036 0.000 1.210 86 W CB -2.369 27.120 29.460 0.048 0.000 1.125 86 W HN -0.153 nan 8.180 nan 0.000 0.572 87 N N 1.349 119.864 118.700 -0.308 0.000 2.381 87 N HA -0.174 4.566 4.740 0.000 0.000 0.182 87 N C 1.109 176.576 175.510 -0.073 0.000 1.025 87 N CA 1.837 54.827 53.050 -0.100 0.000 0.888 87 N CB -0.221 38.163 38.487 -0.171 0.000 0.965 87 N HN 0.162 nan 8.380 nan 0.000 0.438 88 K N -0.163 120.177 120.400 -0.100 0.000 7.952 88 K HA -0.180 4.140 4.320 0.000 0.000 0.482 88 K C -0.259 176.335 176.600 -0.010 0.000 0.374 88 K CA 1.609 57.834 56.287 -0.104 0.000 1.938 88 K CB -1.647 30.620 32.500 -0.388 0.000 0.742 88 K HN 0.357 nan 8.250 nan 0.000 0.896 89 D N 2.259 122.655 120.400 -0.007 0.000 2.389 89 D HA 0.075 4.715 4.640 0.000 0.000 0.247 89 D C 0.416 176.711 176.300 -0.009 0.000 1.128 89 D CA 0.068 54.088 54.000 0.034 0.000 0.884 89 D CB 0.729 41.570 40.800 0.070 0.000 1.194 89 D HN 0.215 nan 8.370 nan 0.000 0.441 90 E N 2.493 122.654 120.200 -0.064 0.000 2.259 90 E HA 0.291 4.641 4.350 0.000 0.000 0.281 90 E C -0.798 175.834 176.600 0.054 0.000 1.037 90 E CA -0.299 56.093 56.400 -0.014 0.000 0.854 90 E CB 0.611 30.323 29.700 0.020 0.000 1.051 90 E HN 0.367 nan 8.360 nan 0.000 0.409 91 I N 3.282 123.899 120.570 0.079 0.000 2.498 91 I HA 0.206 4.377 4.170 0.000 0.000 0.290 91 I C -0.585 175.598 176.117 0.110 0.000 1.032 91 I CA -0.704 60.672 61.300 0.126 0.000 1.073 91 I CB 2.156 40.183 38.000 0.046 0.000 1.251 91 I HN 0.360 nan 8.210 nan 0.000 0.426 92 S N 3.824 119.636 115.700 0.186 0.000 2.605 92 S HA 0.555 5.025 4.470 0.000 0.000 0.308 92 S C -0.803 173.875 174.600 0.129 0.000 1.113 92 S CA -0.350 57.929 58.200 0.132 0.000 1.049 92 S CB 1.358 64.630 63.200 0.120 0.000 1.001 92 S HN 0.662 nan 8.310 nan 0.000 0.480 93 T N 3.598 118.194 114.554 0.070 0.000 2.840 93 T HA 0.675 5.025 4.350 0.000 0.000 0.287 93 T C -1.204 173.474 174.700 -0.037 0.000 0.991 93 T CA -0.232 61.915 62.100 0.078 0.000 0.964 93 T CB 0.997 69.977 68.868 0.187 0.000 0.954 93 T HN 0.579 nan 8.240 nan 0.000 0.438 94 T N 4.868 119.410 114.554 -0.019 0.000 2.879 94 T HA 0.480 4.830 4.350 0.000 0.000 0.290 94 T C -1.170 173.600 174.700 0.118 0.000 0.993 94 T CA -0.915 61.158 62.100 -0.045 0.000 0.975 94 T CB 1.366 70.117 68.868 -0.195 0.000 0.981 94 T HN 0.544 nan 8.240 nan 0.000 0.439 95 D N 1.688 122.127 120.400 0.065 0.000 2.229 95 D HA 0.725 5.365 4.640 0.000 0.000 0.249 95 D C -0.376 175.940 176.300 0.026 0.000 1.027 95 D CA -0.346 53.696 54.000 0.069 0.000 0.923 95 D CB 2.040 42.820 40.800 -0.034 0.000 1.174 95 D HN 0.732 nan 8.370 nan 0.000 0.443 96 A N 1.288 124.016 122.820 -0.154 0.000 2.572 96 A HA 0.664 4.984 4.320 0.000 0.000 0.295 96 A C -1.389 175.920 177.584 -0.459 0.000 1.072 96 A CA -0.729 51.012 52.037 -0.493 0.000 0.691 96 A CB 1.530 19.724 19.000 -1.343 0.000 1.291 96 A HN 0.544 nan 8.150 nan 0.000 0.404 97 I N 1.060 121.282 120.570 -0.581 0.000 2.447 97 I HA 0.665 4.835 4.170 0.000 0.000 0.287 97 I C -1.922 173.838 176.117 -0.595 0.000 1.023 97 I CA -0.831 60.188 61.300 -0.469 0.000 1.083 97 I CB 0.867 38.566 38.000 -0.502 0.000 1.245 97 I HN 0.535 nan 8.210 nan 0.000 0.434 98 F N 7.360 127.200 119.950 -0.184 0.000 2.411 98 F HA 0.518 5.043 4.527 -0.004 0.000 0.352 98 F C 0.126 175.922 175.800 -0.007 0.000 1.123 98 F CA -0.669 57.260 58.000 -0.119 0.000 1.044 98 F CB 1.776 40.729 39.000 -0.079 0.000 1.135 98 F HN 0.210 nan 8.300 nan 0.000 0.461 99 V N 0.561 120.538 119.914 0.105 0.000 2.769 99 V HA 0.570 4.690 4.120 0.000 0.000 0.312 99 V C -0.421 175.744 176.094 0.118 0.000 1.061 99 V CA -1.289 61.072 62.300 0.102 0.000 0.931 99 V CB 1.601 33.406 31.823 -0.031 0.000 1.010 99 V HN 0.663 nan 8.190 nan 0.000 0.433 100 Q N 2.458 122.383 119.800 0.208 0.000 2.269 100 Q HA 0.088 4.428 4.340 0.000 0.000 0.300 100 Q C 1.312 177.326 176.000 0.024 0.000 1.070 100 Q CA 1.191 57.084 55.803 0.151 0.000 0.957 100 Q CB 0.510 29.353 28.738 0.176 0.000 1.131 100 Q HN 0.850 nan 8.270 nan 0.000 0.377 101 R N 2.790 123.276 120.500 -0.023 0.000 2.134 101 R HA -0.242 4.098 4.340 0.000 0.000 0.248 101 R C 0.193 176.485 176.300 -0.014 0.000 1.143 101 R CA 2.374 58.456 56.100 -0.029 0.000 0.957 101 R CB -0.014 30.262 30.300 -0.041 0.000 0.867 101 R HN 0.936 nan 8.270 nan 0.000 0.441 102 D N -0.540 119.857 120.400 -0.005 0.000 2.463 102 D HA 0.053 4.693 4.640 0.000 0.000 0.224 102 D C -0.290 176.006 176.300 -0.007 0.000 1.174 102 D CA -0.390 53.606 54.000 -0.005 0.000 0.829 102 D CB 0.159 40.957 40.800 -0.003 0.000 0.993 102 D HN 0.069 nan 8.370 nan 0.000 0.497 103 L N 1.078 122.295 121.223 -0.010 0.000 2.360 103 L HA 0.253 4.593 4.340 0.000 0.000 0.276 103 L C -0.071 176.779 176.870 -0.032 0.000 1.121 103 L CA -0.224 54.600 54.840 -0.026 0.000 0.845 103 L CB 0.605 42.640 42.059 -0.040 0.000 1.143 103 L HN -0.089 nan 8.230 nan 0.000 0.452 104 K N 7.000 127.382 120.400 -0.031 0.000 2.315 104 K HA 0.263 4.583 4.320 0.000 0.000 0.291 104 K C -0.811 175.765 176.600 -0.040 0.000 1.074 104 K CA -0.135 56.138 56.287 -0.024 0.000 0.936 104 K CB 0.126 32.618 32.500 -0.014 0.000 1.049 104 K HN 0.592 nan 8.250 nan 0.000 0.471 105 L N 3.395 124.595 121.223 -0.037 0.000 2.371 105 L HA 0.159 4.499 4.340 0.000 0.000 0.272 105 L C 0.680 177.547 176.870 -0.004 0.000 1.124 105 L CA -1.017 53.786 54.840 -0.060 0.000 0.816 105 L CB 0.825 42.860 42.059 -0.040 0.000 1.129 105 L HN 0.344 nan 8.230 nan 0.000 0.448 106 V N 0.496 120.405 119.914 -0.009 0.000 2.694 106 V HA -0.022 4.098 4.120 0.000 0.000 0.306 106 V C 0.381 176.533 176.094 0.097 0.000 1.054 106 V CA -0.547 61.778 62.300 0.041 0.000 1.161 106 V CB 0.263 32.112 31.823 0.044 0.000 0.916 106 V HN 0.928 nan 8.190 nan 0.000 0.490 107 Q N 3.143 122.991 119.800 0.080 0.000 2.262 107 Q HA 0.351 4.691 4.340 0.000 0.000 0.298 107 Q C 1.232 177.307 176.000 0.124 0.000 1.083 107 Q CA 1.099 56.957 55.803 0.092 0.000 0.962 107 Q CB -0.025 28.753 28.738 0.066 0.000 1.104 107 Q HN 1.689 nan 8.270 nan 0.000 0.376 108 G N 3.595 112.488 108.800 0.154 0.000 2.179 108 G HA2 -0.317 3.643 3.960 0.000 0.000 0.220 108 G HA3 -0.317 3.643 3.960 0.000 0.000 0.220 108 G C 0.119 175.162 174.900 0.237 0.000 0.990 108 G CA 0.152 45.359 45.100 0.178 0.000 0.646 108 G HN 0.722 nan 8.290 nan 0.000 0.517 109 F N 1.110 121.128 119.950 0.114 0.000 2.163 109 F HA 0.279 4.809 4.527 0.004 0.000 0.297 109 F C 2.706 178.638 175.800 0.220 0.000 1.094 109 F CA 2.266 60.349 58.000 0.139 0.000 1.290 109 F CB -0.163 38.879 39.000 0.070 0.000 1.017 109 F HN 0.207 nan 8.300 nan 0.000 0.483 110 M N 0.777 120.536 119.600 0.266 0.000 2.059 110 M HA -0.125 4.355 4.480 0.000 0.000 0.259 110 M C -0.482 175.937 176.300 0.199 0.000 1.072 110 M CA 2.104 57.524 55.300 0.200 0.000 1.117 110 M CB -1.806 30.904 32.600 0.184 0.000 1.320 110 M HN 0.025 nan 8.290 nan 0.000 0.408 111 P HA -0.198 nan 4.420 nan 0.000 0.220 111 P C 1.196 178.611 177.300 0.192 0.000 1.148 111 P CA 1.614 64.840 63.100 0.209 0.000 0.803 111 P CB -0.455 31.337 31.700 0.152 0.000 0.782 112 H N -1.416 117.686 119.070 0.054 0.000 2.436 112 H HA -0.030 4.526 4.556 -0.000 0.000 0.294 112 H C 1.779 177.076 175.328 -0.051 0.000 1.048 112 H CA 0.894 56.931 56.048 -0.018 0.000 1.353 112 H CB -0.384 29.353 29.762 -0.043 0.000 1.414 112 H HN 0.047 nan 8.280 nan 0.000 0.536 113 F N 0.424 120.299 119.950 -0.124 0.000 2.206 113 F HA -0.134 4.396 4.527 0.005 0.000 0.298 113 F C 2.334 178.187 175.800 0.087 0.000 1.090 113 F CA 0.990 58.932 58.000 -0.097 0.000 1.323 113 F CB -0.719 38.079 39.000 -0.338 0.000 1.028 113 F HN 0.079 nan 8.300 nan 0.000 0.492 114 F N 2.413 122.370 119.950 0.012 0.000 2.075 114 F HA -0.198 4.329 4.527 0.000 0.000 0.297 114 F C 2.493 178.213 175.800 -0.133 0.000 1.113 114 F CA 2.103 60.071 58.000 -0.053 0.000 1.218 114 F CB -0.565 38.454 39.000 0.032 0.000 0.984 114 F HN -0.030 nan 8.300 nan 0.000 0.472 115 R N -0.219 119.938 120.500 -0.572 0.000 2.316 115 R HA 0.001 4.341 4.340 0.000 0.000 0.202 115 R C 1.158 177.145 176.300 -0.523 0.000 1.029 115 R CA 1.015 56.685 56.100 -0.717 0.000 1.018 115 R CB -0.362 29.692 30.300 -0.409 0.000 0.888 115 R HN 0.365 nan 8.270 nan 0.000 0.471 116 L N -0.776 120.168 121.223 -0.466 0.000 2.445 116 L HA 0.394 4.734 4.340 0.000 0.000 0.207 116 L C 0.187 176.618 176.870 -0.732 0.000 1.053 116 L CA 0.972 55.488 54.840 -0.539 0.000 0.841 116 L CB 0.115 41.898 42.059 -0.459 0.000 1.074 116 L HN -0.011 nan 8.230 nan 0.000 0.479 121 V N -0.455 119.425 119.914 -0.057 0.000 3.237 121 V HA 0.581 4.701 4.120 0.000 0.000 0.305 121 V C -0.130 175.846 176.094 -0.196 0.000 1.096 121 V CA -0.474 61.691 62.300 -0.225 0.000 1.130 121 V CB 0.099 31.812 31.823 -0.184 0.000 1.048 121 V HN 1.000 nan 8.190 nan 0.000 0.484 122 K N 2.052 122.275 120.400 -0.294 0.000 2.323 122 K HA 0.395 4.715 4.320 0.000 0.000 0.259 122 K C -0.774 175.781 176.600 -0.075 0.000 0.947 122 K CA -0.703 55.461 56.287 -0.206 0.000 0.819 122 K CB 1.628 33.909 32.500 -0.365 0.000 1.109 122 K HN 0.693 nan 8.250 nan 0.000 0.429 123 Q N 2.077 121.852 119.800 -0.042 0.000 2.289 123 Q HA 0.175 4.515 4.340 0.000 0.000 0.273 123 Q C -0.194 175.773 176.000 -0.055 0.000 1.029 123 Q CA 0.128 55.907 55.803 -0.039 0.000 0.896 123 Q CB 1.089 29.808 28.738 -0.032 0.000 1.182 123 Q HN 0.296 nan 8.270 nan 0.000 0.385 124 V N 1.997 121.832 119.914 -0.131 0.000 2.925 124 V HA 0.254 4.374 4.120 0.000 0.000 0.311 124 V C -0.854 175.019 176.094 -0.369 0.000 1.104 124 V CA -0.887 61.229 62.300 -0.307 0.000 0.954 124 V CB 2.581 34.070 31.823 -0.557 0.000 1.022 124 V HN 0.630 nan 8.190 nan 0.000 0.427 125 D N 1.625 121.808 120.400 -0.361 0.000 2.453 125 D HA 0.416 5.056 4.640 0.000 0.000 0.238 125 D C 0.134 176.276 176.300 -0.263 0.000 1.088 125 D CA -0.334 53.523 54.000 -0.239 0.000 0.854 125 D CB 1.063 41.797 40.800 -0.110 0.000 1.076 125 D HN 0.295 nan 8.370 nan 0.000 0.533 126 F N 1.224 121.156 119.950 -0.031 0.000 2.710 126 F HA -0.046 4.476 4.527 -0.009 0.000 0.298 126 F C 2.572 178.352 175.800 -0.033 0.000 1.137 126 F CA 0.396 58.372 58.000 -0.039 0.000 1.444 126 F CB -0.133 38.834 39.000 -0.056 0.000 1.111 126 F HN 0.351 nan 8.300 nan 0.000 0.580 127 S N -1.251 114.515 115.700 0.110 0.000 2.453 127 S HA -0.089 4.381 4.470 0.000 0.000 0.231 127 S C 0.990 175.610 174.600 0.033 0.000 1.005 127 S CA 0.662 58.898 58.200 0.059 0.000 0.949 127 S CB -0.299 62.921 63.200 0.033 0.000 0.774 127 S HN 0.227 nan 8.310 nan 0.000 0.510 128 E N 2.118 122.325 120.200 0.013 0.000 2.028 128 E HA 0.262 4.612 4.350 0.000 0.000 0.275 128 E C 0.982 177.589 176.600 0.012 0.000 1.171 128 E CA -0.170 56.229 56.400 -0.002 0.000 1.186 128 E CB 0.787 30.470 29.700 -0.027 0.000 1.256 128 E HN 0.268 nan 8.360 nan 0.000 0.474 129 V N 1.602 121.540 119.914 0.040 0.000 2.219 129 V HA -0.299 3.821 4.120 0.000 0.000 0.248 129 V C 2.181 178.309 176.094 0.056 0.000 1.053 129 V CA 1.677 64.018 62.300 0.068 0.000 1.009 129 V CB -0.193 31.663 31.823 0.056 0.000 0.636 129 V HN 0.441 nan 8.190 nan 0.000 0.445 130 E N -0.283 119.939 120.200 0.038 0.000 2.150 130 E HA -0.195 4.155 4.350 0.000 0.000 0.193 130 E C 2.338 178.980 176.600 0.069 0.000 0.985 130 E CA 1.085 57.512 56.400 0.046 0.000 0.814 130 E CB -0.314 29.398 29.700 0.020 0.000 0.752 130 E HN 0.574 nan 8.360 nan 0.000 0.466 131 R N 0.656 121.179 120.500 0.038 0.000 2.075 131 R HA -0.053 4.287 4.340 0.000 0.000 0.232 131 R C 2.137 178.476 176.300 0.064 0.000 1.126 131 R CA 1.336 57.470 56.100 0.056 0.000 0.963 131 R CB -0.136 30.168 30.300 0.006 0.000 0.858 131 R HN 0.080 nan 8.270 nan 0.000 0.435 132 A N 1.058 123.865 122.820 -0.021 0.000 1.969 132 A HA -0.127 4.193 4.320 0.000 0.000 0.218 132 A C 2.211 179.752 177.584 -0.072 0.000 1.169 132 A CA 1.187 53.142 52.037 -0.137 0.000 0.635 132 A CB -0.481 18.346 19.000 -0.288 0.000 0.810 132 A HN 0.399 nan 8.150 nan 0.000 0.445 133 R N -1.792 118.730 120.500 0.036 0.000 2.092 133 R HA -0.097 4.243 4.340 0.000 0.000 0.231 133 R C 1.907 178.242 176.300 0.058 0.000 1.119 133 R CA 1.560 57.690 56.100 0.050 0.000 0.970 133 R CB -0.379 29.971 30.300 0.083 0.000 0.864 133 R HN 0.503 nan 8.270 nan 0.000 0.440 134 F N 1.343 121.282 119.950 -0.019 0.000 2.075 134 F HA -0.214 4.312 4.527 -0.002 0.000 0.297 134 F C 1.914 177.708 175.800 -0.010 0.000 1.113 134 F CA 1.294 59.299 58.000 0.008 0.000 1.218 134 F CB -0.285 38.722 39.000 0.012 0.000 0.984 134 F HN -0.082 nan 8.300 nan 0.000 0.472 135 I N 1.068 121.637 120.570 -0.001 0.000 2.103 135 I HA -0.387 3.783 4.170 0.000 0.000 0.241 135 I C 2.537 178.509 176.117 -0.242 0.000 1.036 135 I CA 2.079 63.314 61.300 -0.107 0.000 1.300 135 I CB -1.504 36.443 38.000 -0.088 0.000 1.010 135 I HN 0.273 nan 8.210 nan 0.000 0.406 136 I N 0.279 120.616 120.570 -0.390 0.000 2.286 136 I HA -0.253 3.917 4.170 0.000 0.000 0.245 136 I C 2.162 178.194 176.117 -0.141 0.000 1.104 136 I CA 1.034 62.020 61.300 -0.523 0.000 1.397 136 I CB -0.487 37.105 38.000 -0.679 0.000 1.072 136 I HN 0.258 nan 8.210 nan 0.000 0.417 137 N N 0.694 119.308 118.700 -0.144 0.000 2.244 137 N HA -0.204 4.536 4.740 0.000 0.000 0.183 137 N C 1.528 176.936 175.510 -0.170 0.000 1.016 137 N CA 1.315 54.313 53.050 -0.086 0.000 0.866 137 N CB -0.375 38.104 38.487 -0.013 0.000 0.980 137 N HN 0.316 nan 8.380 nan 0.000 0.430 138 D N -0.621 119.552 120.400 -0.378 0.000 2.178 138 D HA -0.128 4.512 4.640 0.000 0.000 0.202 138 D C 1.790 178.044 176.300 -0.077 0.000 0.974 138 D CA 0.598 54.355 54.000 -0.405 0.000 0.841 138 D CB -0.109 40.236 40.800 -0.759 0.000 0.953 138 D HN 0.331 nan 8.370 nan 0.000 0.478 139 W N 0.220 121.459 121.300 -0.102 0.000 2.453 139 W HA -0.070 4.593 4.660 0.005 0.000 0.289 139 W C 1.989 178.622 176.519 0.191 0.000 1.215 139 W CA 0.878 58.293 57.345 0.117 0.000 1.297 139 W CB -0.175 29.433 29.460 0.247 0.000 1.113 139 W HN -0.213 nan 8.180 nan 0.000 0.551 140 V N 1.452 121.568 119.914 0.337 0.000 2.407 140 V HA -0.322 3.798 4.120 0.000 0.000 0.248 140 V C 2.411 178.476 176.094 -0.048 0.000 1.055 140 V CA 2.333 64.720 62.300 0.145 0.000 1.049 140 V CB -1.023 30.926 31.823 0.210 0.000 0.662 140 V HN 0.199 nan 8.190 nan 0.000 0.455 141 K N 0.551 120.903 120.400 -0.078 0.000 2.009 141 K HA -0.232 4.088 4.320 0.000 0.000 0.210 141 K C 2.268 178.748 176.600 -0.200 0.000 1.049 141 K CA 2.238 58.443 56.287 -0.137 0.000 0.929 141 K CB -0.381 32.023 32.500 -0.160 0.000 0.714 141 K HN 0.682 nan 8.250 nan 0.000 0.440 142 T N -1.967 112.425 114.554 -0.270 0.000 2.821 142 T HA -0.126 4.224 4.350 0.000 0.000 0.267 142 T C 1.402 175.777 174.700 -0.542 0.000 1.046 142 T CA 1.460 63.319 62.100 -0.401 0.000 1.139 142 T CB -0.559 68.031 68.868 -0.464 0.000 0.871 142 T HN 0.404 nan 8.240 nan 0.000 0.454 143 H N 1.462 120.256 119.070 -0.461 0.000 2.547 143 H HA 0.220 4.776 4.556 0.000 0.000 0.266 143 H C 1.696 176.855 175.328 -0.282 0.000 0.988 143 H CA 1.164 56.930 56.048 -0.470 0.000 1.147 143 H CB 0.100 29.382 29.762 -0.801 0.000 1.365 143 H HN 0.604 nan 8.280 nan 0.000 0.589 144 T N -2.590 111.874 114.554 -0.151 0.000 3.182 144 T HA 0.165 4.515 4.350 0.000 0.000 0.277 144 T C 0.551 175.148 174.700 -0.171 0.000 1.013 144 T CA -0.640 61.440 62.100 -0.034 0.000 0.900 144 T CB -0.112 68.788 68.868 0.053 0.000 1.098 144 T HN 0.090 nan 8.240 nan 0.000 0.543 145 K N 1.013 121.191 120.400 -0.370 0.000 3.071 145 K HA -0.214 4.106 4.320 0.000 0.000 0.262 145 K C 1.249 177.722 176.600 -0.212 0.000 0.977 145 K CA 0.665 56.714 56.287 -0.397 0.000 0.721 145 K CB -1.719 30.362 32.500 -0.699 0.000 1.293 145 K HN 0.950 nan 8.250 nan 0.000 0.475 146 G N -0.769 107.935 108.800 -0.160 0.000 2.217 146 G HA2 -0.389 3.571 3.960 0.000 0.000 0.246 146 G HA3 -0.389 3.571 3.960 0.000 0.000 0.246 146 G C 0.821 175.681 174.900 -0.066 0.000 0.990 146 G CA 0.408 45.442 45.100 -0.110 0.000 0.627 146 G HN 0.305 nan 8.290 nan 0.000 0.522 147 M N -0.185 119.401 119.600 -0.025 0.000 2.117 147 M HA 0.168 4.648 4.480 0.000 0.000 0.262 147 M C 1.012 177.316 176.300 0.006 0.000 1.065 147 M CA 1.536 56.847 55.300 0.017 0.000 1.114 147 M CB 0.000 32.651 32.600 0.085 0.000 1.361 147 M HN 0.286 nan 8.290 nan 0.000 0.408 148 I N -0.138 120.431 120.570 -0.001 0.000 2.405 148 I HA 0.115 4.285 4.170 0.000 0.000 0.280 148 I C 0.496 176.570 176.117 -0.072 0.000 1.027 148 I CA -0.283 61.015 61.300 -0.003 0.000 1.161 148 I CB 1.517 39.546 38.000 0.049 0.000 1.300 148 I HN -0.032 nan 8.210 nan 0.000 0.463 149 S N 3.112 118.713 115.700 -0.164 0.000 2.470 149 S HA 0.129 4.599 4.470 0.000 0.000 0.222 149 S C 0.580 174.849 174.600 -0.551 0.000 1.024 149 S CA 0.575 58.544 58.200 -0.386 0.000 0.931 149 S CB 0.050 62.935 63.200 -0.524 0.000 0.791 149 S HN 0.539 nan 8.310 nan 0.000 0.513 150 H N 0.807 119.897 119.070 0.033 0.000 2.429 150 H HA 0.284 4.840 4.556 -0.000 0.000 0.231 150 H C 0.490 175.845 175.328 0.044 0.000 1.416 150 H CA -0.628 55.442 56.048 0.037 0.000 1.443 150 H CB 0.352 30.141 29.762 0.045 0.000 1.591 150 H HN 0.098 nan 8.280 nan 0.000 0.507 151 L N 1.647 122.941 121.223 0.118 0.000 1.971 151 L HA -0.081 4.259 4.340 0.000 0.000 0.215 151 L C 0.399 177.331 176.870 0.103 0.000 1.072 151 L CA 1.903 56.807 54.840 0.108 0.000 0.758 151 L CB -0.110 42.012 42.059 0.105 0.000 0.889 151 L HN 0.330 nan 8.230 nan 0.000 0.433 152 L N 0.789 122.067 121.223 0.091 0.000 2.261 152 L HA 0.382 4.723 4.340 0.000 0.000 0.289 152 L C 0.809 177.723 176.870 0.074 0.000 1.059 152 L CA -0.365 54.517 54.840 0.070 0.000 0.816 152 L CB 0.285 42.371 42.059 0.044 0.000 1.191 152 L HN 0.224 nan 8.230 nan 0.000 0.431 153 G N 1.493 110.329 108.800 0.060 0.000 2.651 153 G HA2 0.259 4.219 3.960 0.000 0.000 0.260 153 G HA3 0.259 4.219 3.960 0.000 0.000 0.260 153 G C 0.226 175.140 174.900 0.023 0.000 1.216 153 G CA -0.334 44.789 45.100 0.037 0.000 0.913 153 G HN 0.571 nan 8.290 nan 0.000 0.535 154 T N -2.372 112.185 114.554 0.006 0.000 2.888 154 T HA 0.424 4.774 4.350 0.000 0.000 0.301 154 T C 1.336 176.041 174.700 0.008 0.000 1.001 154 T CA 0.910 63.014 62.100 0.006 0.000 1.147 154 T CB 0.718 69.584 68.868 -0.005 0.000 0.931 154 T HN 2.255 nan 8.240 nan 0.000 0.541 155 G N 2.084 110.889 108.800 0.008 0.000 2.141 155 G HA2 -0.094 3.867 3.960 0.000 0.000 0.231 155 G HA3 -0.094 3.867 3.960 0.000 0.000 0.231 155 G C 0.774 175.675 174.900 0.002 0.000 0.984 155 G CA 0.186 45.288 45.100 0.004 0.000 0.660 155 G HN 1.451 nan 8.290 nan 0.000 0.525 156 A N -1.064 121.759 122.820 0.005 0.000 2.063 156 A HA 0.692 5.012 4.320 0.000 0.000 0.211 156 A C 1.243 178.809 177.584 -0.030 0.000 1.177 156 A CA 1.957 53.993 52.037 -0.001 0.000 0.759 156 A CB 0.144 19.154 19.000 0.016 0.000 0.857 156 A HN 1.854 nan 8.150 nan 0.000 0.468 157 V N -1.566 118.335 119.914 -0.020 0.000 3.040 157 V HA 0.764 4.884 4.120 0.000 0.000 0.312 157 V C -1.387 174.696 176.094 -0.019 0.000 1.115 157 V CA -0.515 61.755 62.300 -0.049 0.000 0.998 157 V CB 2.018 33.851 31.823 0.016 0.000 1.042 157 V HN 0.434 nan 8.190 nan 0.000 0.433 158 D N 0.940 121.312 120.400 -0.047 0.000 2.895 158 D HA 0.228 4.868 4.640 0.000 0.000 0.320 158 D C 0.852 177.159 176.300 0.011 0.000 1.249 158 D CA 0.042 54.037 54.000 -0.008 0.000 0.997 158 D CB 0.844 41.629 40.800 -0.026 0.000 1.430 158 D HN 0.582 nan 8.370 nan 0.000 0.558 159 Q N -0.845 118.964 119.800 0.015 0.000 2.226 159 Q HA -0.051 4.289 4.340 0.000 0.000 0.204 159 Q C 1.352 177.353 176.000 0.001 0.000 0.975 159 Q CA 1.109 56.931 55.803 0.032 0.000 0.866 159 Q CB -0.275 28.474 28.738 0.018 0.000 0.915 159 Q HN 0.277 nan 8.270 nan 0.000 0.440 160 L N 1.216 122.407 121.223 -0.055 0.000 2.509 160 L HA 0.106 4.446 4.340 0.000 0.000 0.222 160 L C 0.485 177.235 176.870 -0.199 0.000 1.123 160 L CA 0.763 55.544 54.840 -0.099 0.000 0.856 160 L CB -0.085 41.919 42.059 -0.092 0.000 0.985 160 L HN 0.069 nan 8.230 nan 0.000 0.456 161 T N 0.173 114.552 114.554 -0.290 0.000 2.934 161 T HA 0.020 4.370 4.350 0.000 0.000 0.306 161 T C 1.329 175.619 174.700 -0.684 0.000 1.042 161 T CA 0.182 61.926 62.100 -0.593 0.000 1.145 161 T CB 0.937 69.278 68.868 -0.878 0.000 0.982 161 T HN 0.124 nan 8.240 nan 0.000 0.544 162 R N 0.722 120.848 120.500 -0.623 0.000 2.492 162 R HA 0.331 4.671 4.340 0.000 0.000 0.219 162 R C -0.433 175.718 176.300 -0.249 0.000 0.886 162 R CA -0.075 55.826 56.100 -0.332 0.000 1.003 162 R CB 0.093 30.240 30.300 -0.256 0.000 1.345 162 R HN 0.480 nan 8.270 nan 0.000 0.631 163 L N 0.238 121.231 121.223 -0.383 0.000 2.482 163 L HA 0.530 4.870 4.340 0.000 0.000 0.263 163 L C -1.722 175.039 176.870 -0.182 0.000 0.957 163 L CA -0.764 53.958 54.840 -0.196 0.000 0.836 163 L CB 2.565 44.484 42.059 -0.234 0.000 1.324 163 L HN -0.241 nan 8.230 nan 0.000 0.406 164 V N 5.648 125.567 119.914 0.008 0.000 2.524 164 V HA 0.475 4.596 4.120 0.000 0.000 0.297 164 V C -0.711 175.434 176.094 0.086 0.000 1.035 164 V CA -0.604 61.720 62.300 0.040 0.000 0.867 164 V CB 1.688 33.577 31.823 0.110 0.000 1.004 164 V HN 0.527 nan 8.190 nan 0.000 0.426 165 L N 5.087 126.326 121.223 0.028 0.000 2.312 165 L HA 0.699 5.039 4.340 0.000 0.000 0.281 165 L C -0.063 176.836 176.870 0.050 0.000 1.070 165 L CA -0.101 54.747 54.840 0.014 0.000 0.805 165 L CB 1.422 43.481 42.059 0.001 0.000 1.174 165 L HN 0.490 nan 8.230 nan 0.000 0.434 166 V N 4.728 124.665 119.914 0.039 0.000 2.851 166 V HA 0.488 4.608 4.120 0.000 0.000 0.307 166 V C -0.889 175.280 176.094 0.126 0.000 1.129 166 V CA -0.677 61.688 62.300 0.108 0.000 0.932 166 V CB 2.395 34.339 31.823 0.201 0.000 1.024 166 V HN 0.971 nan 8.190 nan 0.000 0.426 167 N N 4.690 123.480 118.700 0.149 0.000 2.314 167 N HA 0.792 5.532 4.740 0.000 0.000 0.304 167 N C -0.918 174.715 175.510 0.206 0.000 1.073 167 N CA -0.067 53.076 53.050 0.155 0.000 0.822 167 N CB 2.361 40.873 38.487 0.041 0.000 1.280 167 N HN 0.975 nan 8.380 nan 0.000 0.489 168 A N 3.122 126.063 122.820 0.201 0.000 2.335 168 A HA 0.558 4.878 4.320 0.000 0.000 0.304 168 A C -1.368 176.293 177.584 0.129 0.000 1.118 168 A CA -0.644 51.475 52.037 0.136 0.000 0.757 168 A CB 0.992 19.998 19.000 0.010 0.000 1.188 168 A HN 0.591 nan 8.150 nan 0.000 0.460 169 L N 2.446 123.775 121.223 0.177 0.000 2.346 169 L HA 0.800 5.140 4.340 0.000 0.000 0.276 169 L C -1.356 175.722 176.870 0.347 0.000 1.006 169 L CA -0.602 54.374 54.840 0.227 0.000 0.817 169 L CB 1.571 43.729 42.059 0.166 0.000 1.272 169 L HN 0.658 nan 8.230 nan 0.000 0.421 170 Y N 5.159 125.574 120.300 0.190 0.000 2.457 170 Y HA 0.652 5.202 4.550 0.000 0.000 0.343 170 Y C -1.953 174.093 175.900 0.243 0.000 0.994 170 Y CA -1.055 57.152 58.100 0.179 0.000 1.031 170 Y CB 1.695 40.187 38.460 0.053 0.000 1.246 170 Y HN 0.604 nan 8.280 nan 0.000 0.449 171 F N 6.176 125.723 119.950 -0.672 0.000 2.591 171 F HA 0.664 5.191 4.527 -0.000 0.000 0.309 171 F C -1.974 173.376 175.800 -0.751 0.000 1.098 171 F CA -0.647 57.051 58.000 -0.504 0.000 0.937 171 F CB 1.743 40.661 39.000 -0.136 0.000 1.250 171 F HN 0.562 nan 8.300 nan 0.000 0.447 172 N N 3.268 121.127 118.700 -1.401 0.000 3.063 172 N HA 0.493 5.233 4.740 0.000 0.000 0.242 172 N C -0.604 174.378 175.510 -0.880 0.000 1.146 172 N CA 0.218 52.561 53.050 -1.177 0.000 0.974 172 N CB 1.545 39.674 38.487 -0.596 0.000 1.584 172 N HN 1.172 nan 8.380 nan 0.000 0.636 173 G N 2.042 110.282 108.800 -0.932 0.000 2.398 173 G HA2 -0.056 3.904 3.960 0.000 0.000 0.221 173 G HA3 -0.056 3.904 3.960 0.000 0.000 0.221 173 G C -1.056 173.486 174.900 -0.596 0.000 1.112 173 G CA -0.714 43.647 45.100 -1.233 0.000 0.823 173 G HN 0.453 nan 8.290 nan 0.000 0.487 174 Q N -0.084 119.572 119.800 -0.240 0.000 2.325 174 Q HA 0.386 4.726 4.340 0.000 0.000 0.270 174 Q C -0.188 175.934 176.000 0.205 0.000 1.020 174 Q CA -0.895 54.837 55.803 -0.118 0.000 0.785 174 Q CB 1.705 30.271 28.738 -0.287 0.000 1.259 174 Q HN 0.449 nan 8.270 nan 0.000 0.452 175 W N 2.722 124.169 121.300 0.244 0.000 2.293 175 W HA -0.060 4.600 4.660 0.001 0.000 0.342 175 W C 1.563 178.141 176.519 0.099 0.000 1.274 175 W CA 0.026 57.444 57.345 0.122 0.000 1.290 175 W CB 0.603 30.090 29.460 0.045 0.000 1.176 175 W HN 0.653 nan 8.180 nan 0.000 0.570 176 K N 0.569 121.192 120.400 0.370 0.000 2.057 176 K HA -0.113 4.208 4.320 0.000 0.000 0.207 176 K C 0.168 176.841 176.600 0.122 0.000 1.049 176 K CA 1.193 57.620 56.287 0.233 0.000 0.931 176 K CB -0.020 32.569 32.500 0.150 0.000 0.714 176 K HN 0.368 nan 8.250 nan 0.000 0.440 177 T N 3.133 117.717 114.554 0.051 0.000 2.864 177 T HA 0.336 4.686 4.350 0.000 0.000 0.299 177 T C -2.691 171.942 174.700 -0.112 0.000 1.011 177 T CA -1.569 60.496 62.100 -0.057 0.000 0.975 177 T CB 1.952 70.712 68.868 -0.180 0.000 0.962 177 T HN 0.017 nan 8.240 nan 0.000 0.448 178 P HA 0.321 nan 4.420 nan 0.000 0.272 178 P C -0.607 176.627 177.300 -0.111 0.000 1.230 178 P CA -0.603 62.548 63.100 0.084 0.000 0.788 178 P CB 0.353 32.150 31.700 0.162 0.000 0.949 179 F N 1.377 121.341 119.950 0.024 0.000 2.427 179 F HA 0.280 4.807 4.527 0.000 0.000 0.352 179 F C -1.611 174.207 175.800 0.030 0.000 1.100 179 F CA -1.969 56.032 58.000 0.001 0.000 1.191 179 F CB -0.420 38.564 39.000 -0.027 0.000 1.128 179 F HN 0.145 nan 8.300 nan 0.000 0.533 180 P HA 0.025 nan 4.420 nan 0.000 0.267 180 P C 0.255 177.630 177.300 0.124 0.000 1.209 180 P CA 0.078 63.246 63.100 0.113 0.000 0.763 180 P CB 0.662 32.408 31.700 0.077 0.000 0.816 181 D N 1.482 121.939 120.400 0.095 0.000 2.158 181 D HA -0.154 4.487 4.640 0.000 0.000 0.197 181 D C 1.653 177.994 176.300 0.068 0.000 0.995 181 D CA 1.842 55.887 54.000 0.075 0.000 0.846 181 D CB -0.309 40.523 40.800 0.053 0.000 0.941 181 D HN 0.411 nan 8.370 nan 0.000 0.456 182 S N -0.761 114.978 115.700 0.065 0.000 2.489 182 S HA 0.018 4.488 4.470 0.000 0.000 0.228 182 S C 1.932 176.578 174.600 0.077 0.000 0.995 182 S CA 0.387 58.622 58.200 0.058 0.000 0.934 182 S CB 0.193 63.418 63.200 0.043 0.000 0.771 182 S HN -0.045 nan 8.310 nan 0.000 0.522 183 S N 1.306 117.067 115.700 0.102 0.000 2.496 183 S HA 0.120 4.590 4.470 0.000 0.000 0.224 183 S C 0.538 175.270 174.600 0.221 0.000 0.996 183 S CA 0.155 58.438 58.200 0.139 0.000 0.927 183 S CB -0.236 63.053 63.200 0.148 0.000 0.774 183 S HN 0.604 nan 8.310 nan 0.000 0.524 184 T N 4.219 118.859 114.554 0.143 0.000 2.817 184 T HA 0.135 4.485 4.350 0.000 0.000 0.295 184 T C -0.071 174.699 174.700 0.116 0.000 0.958 184 T CA 0.140 62.286 62.100 0.077 0.000 1.157 184 T CB -0.065 68.811 68.868 0.012 0.000 0.898 184 T HN 0.487 nan 8.240 nan 0.000 0.536 185 H N 1.553 120.625 119.070 0.004 0.000 2.985 185 H HA 0.530 5.086 4.556 0.000 0.000 0.360 185 H C -0.752 174.582 175.328 0.010 0.000 1.221 185 H CA -1.315 54.738 56.048 0.008 0.000 1.121 185 H CB 1.180 30.949 29.762 0.012 0.000 1.854 185 H HN 0.388 nan 8.280 nan 0.000 0.551 186 R N 1.042 121.585 120.500 0.072 0.000 2.410 186 R HA 0.470 4.810 4.340 0.000 0.000 0.288 186 R C -0.023 176.332 176.300 0.092 0.000 1.051 186 R CA -0.512 55.601 56.100 0.022 0.000 1.021 186 R CB 1.366 31.689 30.300 0.037 0.000 1.032 186 R HN 0.671 nan 8.270 nan 0.000 0.481 187 R N 2.867 123.394 120.500 0.045 0.000 2.629 187 R HA 0.243 4.583 4.340 0.000 0.000 0.266 187 R C -1.159 175.193 176.300 0.086 0.000 1.051 187 R CA -0.705 55.453 56.100 0.095 0.000 0.895 187 R CB 1.292 31.662 30.300 0.117 0.000 1.246 187 R HN 0.474 nan 8.270 nan 0.000 0.459 188 L N 3.797 125.065 121.223 0.074 0.000 2.455 188 L HA 0.195 4.535 4.340 0.000 0.000 0.272 188 L C -0.210 176.720 176.870 0.100 0.000 1.174 188 L CA 0.351 55.212 54.840 0.034 0.000 0.869 188 L CB 0.235 42.254 42.059 -0.067 0.000 1.130 188 L HN 0.486 nan 8.230 nan 0.000 0.474 189 F N 3.225 123.145 119.950 -0.051 0.000 2.436 189 F HA 0.335 4.862 4.527 0.000 0.000 0.340 189 F C 0.296 176.067 175.800 -0.048 0.000 1.113 189 F CA -0.532 57.483 58.000 0.025 0.000 1.022 189 F CB 0.754 39.783 39.000 0.049 0.000 1.128 189 F HN 0.363 nan 8.300 nan 0.000 0.466 190 H N 6.163 124.978 119.070 -0.426 0.000 2.652 190 H HA 0.245 4.801 4.556 0.000 0.000 0.298 190 H C -0.259 174.944 175.328 -0.208 0.000 1.076 190 H CA -0.554 55.349 56.048 -0.241 0.000 1.360 190 H CB 1.116 30.735 29.762 -0.238 0.000 1.421 190 H HN 0.537 nan 8.280 nan 0.000 0.464 191 K N 0.825 121.281 120.400 0.093 0.000 2.117 191 K HA 0.053 4.373 4.320 0.000 0.000 0.240 191 K C 1.339 177.989 176.600 0.083 0.000 1.031 191 K CA -0.184 56.192 56.287 0.149 0.000 0.909 191 K CB 0.705 33.292 32.500 0.145 0.000 1.097 191 K HN 0.548 nan 8.250 nan 0.000 0.492 192 S N -0.201 115.551 115.700 0.085 0.000 2.474 192 S HA -0.124 4.346 4.470 0.000 0.000 0.235 192 S C 0.936 175.559 174.600 0.038 0.000 0.997 192 S CA 1.397 59.628 58.200 0.052 0.000 0.949 192 S CB -0.415 62.816 63.200 0.052 0.000 0.766 192 S HN 0.729 nan 8.310 nan 0.000 0.517 193 D N -0.373 120.054 120.400 0.044 0.000 2.342 193 D HA 0.396 5.036 4.640 0.000 0.000 0.221 193 D C 1.395 177.714 176.300 0.032 0.000 1.101 193 D CA 0.418 54.437 54.000 0.033 0.000 0.837 193 D CB -0.229 40.589 40.800 0.031 0.000 0.938 193 D HN 0.447 nan 8.370 nan 0.000 0.508 194 G N 0.450 109.274 108.800 0.041 0.000 2.383 194 G HA2 -0.338 3.622 3.960 0.000 0.000 0.229 194 G HA3 -0.338 3.622 3.960 0.000 0.000 0.229 194 G C 0.626 175.552 174.900 0.043 0.000 1.089 194 G CA 0.317 45.445 45.100 0.048 0.000 0.640 194 G HN 0.944 nan 8.290 nan 0.000 0.510 195 S N 0.894 116.609 115.700 0.025 0.000 2.576 195 S HA 0.521 4.992 4.470 0.000 0.000 0.272 195 S C 0.338 174.920 174.600 -0.029 0.000 1.352 195 S CA 1.110 59.311 58.200 0.003 0.000 1.021 195 S CB 1.211 64.418 63.200 0.012 0.000 0.887 195 S HN 1.784 nan 8.310 nan 0.000 0.542 196 T N -0.857 113.652 114.554 -0.075 0.000 2.856 196 T HA 0.691 5.041 4.350 0.000 0.000 0.283 196 T C -0.517 174.160 174.700 -0.038 0.000 1.008 196 T CA -0.822 61.195 62.100 -0.138 0.000 0.997 196 T CB 1.363 70.052 68.868 -0.299 0.000 0.992 196 T HN 0.920 nan 8.240 nan 0.000 0.454 197 V N 1.377 121.304 119.914 0.021 0.000 2.823 197 V HA 0.753 4.873 4.120 0.000 0.000 0.312 197 V C -0.258 175.869 176.094 0.054 0.000 1.072 197 V CA -0.699 61.627 62.300 0.044 0.000 0.937 197 V CB 2.294 34.155 31.823 0.064 0.000 1.013 197 V HN 1.164 nan 8.190 nan 0.000 0.430 198 S N 4.684 120.402 115.700 0.030 0.000 2.452 198 S HA 0.694 5.164 4.470 0.000 0.000 0.284 198 S C -0.641 173.973 174.600 0.022 0.000 1.171 198 S CA -0.192 58.027 58.200 0.031 0.000 1.064 198 S CB 0.448 63.660 63.200 0.020 0.000 0.967 198 S HN 1.349 nan 8.310 nan 0.000 0.484 199 V N 2.923 122.853 119.914 0.026 0.000 3.102 199 V HA 0.802 4.922 4.120 0.000 0.000 0.312 199 V C -3.027 173.047 176.094 -0.035 0.000 1.135 199 V CA -2.950 59.343 62.300 -0.011 0.000 1.022 199 V CB 1.339 33.139 31.823 -0.040 0.000 1.056 199 V HN 0.611 nan 8.190 nan 0.000 0.436 200 P HA 0.522 nan 4.420 nan 0.000 0.281 200 P C -0.796 176.417 177.300 -0.144 0.000 1.252 200 P CA -0.062 62.981 63.100 -0.095 0.000 0.778 200 P CB 0.613 32.272 31.700 -0.068 0.000 0.895 201 M N 2.765 122.204 119.600 -0.269 0.000 2.591 201 M HA 0.505 4.985 4.480 0.000 0.000 0.306 201 M C -0.172 175.921 176.300 -0.344 0.000 1.190 201 M CA -0.730 54.385 55.300 -0.310 0.000 0.889 201 M CB 2.209 34.607 32.600 -0.336 0.000 1.728 201 M HN 0.157 nan 8.290 nan 0.000 0.458 202 M N 1.628 121.034 119.600 -0.322 0.000 2.363 202 M HA 0.755 5.235 4.480 0.000 0.000 0.343 202 M C -0.486 175.749 176.300 -0.107 0.000 1.165 202 M CA -0.619 54.489 55.300 -0.319 0.000 1.046 202 M CB 1.757 33.855 32.600 -0.836 0.000 1.648 202 M HN 0.755 nan 8.290 nan 0.000 0.452 203 A N 3.027 125.955 122.820 0.180 0.000 2.414 203 A HA 0.821 5.141 4.320 0.000 0.000 0.306 203 A C -1.226 176.566 177.584 0.348 0.000 1.054 203 A CA -0.560 51.647 52.037 0.284 0.000 0.724 203 A CB 1.769 20.934 19.000 0.275 0.000 1.267 203 A HN 0.860 nan 8.150 nan 0.000 0.418 204 Q N -0.190 119.772 119.800 0.270 0.000 2.594 204 Q HA 0.623 4.963 4.340 0.000 0.000 0.278 204 Q C -1.515 174.562 176.000 0.128 0.000 0.961 204 Q CA -0.740 55.141 55.803 0.131 0.000 0.844 204 Q CB 1.346 30.062 28.738 -0.036 0.000 1.475 204 Q HN 0.398 nan 8.270 nan 0.000 0.389 205 T N 2.541 117.129 114.554 0.057 0.000 2.770 205 T HA 0.624 4.974 4.350 0.000 0.000 0.283 205 T C -0.913 173.755 174.700 -0.053 0.000 0.988 205 T CA -0.393 61.737 62.100 0.050 0.000 0.957 205 T CB 0.659 69.537 68.868 0.017 0.000 0.930 205 T HN 0.551 nan 8.240 nan 0.000 0.443 206 N N 1.691 120.321 118.700 -0.117 0.000 3.364 206 N HA 0.320 5.060 4.740 0.000 0.000 0.294 206 N C -1.466 173.775 175.510 -0.450 0.000 1.562 206 N CA -0.812 52.004 53.050 -0.390 0.000 0.862 206 N CB 1.516 39.586 38.487 -0.694 0.000 1.691 206 N HN 0.313 nan 8.380 nan 0.000 0.572 207 K N 0.774 120.875 120.400 -0.498 0.000 2.262 207 K HA 0.385 4.705 4.320 0.000 0.000 0.282 207 K C -1.056 175.246 176.600 -0.496 0.000 1.066 207 K CA -0.071 56.012 56.287 -0.339 0.000 0.901 207 K CB 0.423 32.804 32.500 -0.198 0.000 1.089 207 K HN 0.248 nan 8.250 nan 0.000 0.476 208 F N 1.829 121.752 119.950 -0.046 0.000 2.467 208 F HA 0.233 4.760 4.527 0.000 0.000 0.336 208 F C 0.657 176.469 175.800 0.021 0.000 1.123 208 F CA -1.155 56.824 58.000 -0.036 0.000 0.964 208 F CB 1.151 40.127 39.000 -0.039 0.000 1.136 208 F HN 0.373 nan 8.300 nan 0.000 0.447 209 N N 2.948 121.760 118.700 0.187 0.000 2.359 209 N HA -0.042 4.698 4.740 0.000 0.000 0.261 209 N C -1.271 174.363 175.510 0.207 0.000 1.267 209 N CA 0.617 53.754 53.050 0.145 0.000 0.864 209 N CB 0.074 38.600 38.487 0.064 0.000 1.063 209 N HN 0.644 nan 8.380 nan 0.000 0.474 210 Y N 0.853 121.187 120.300 0.056 0.000 2.513 210 Y HA 0.383 4.933 4.550 0.000 0.000 0.340 210 Y C -0.778 175.136 175.900 0.024 0.000 1.055 210 Y CA -0.635 57.486 58.100 0.035 0.000 1.020 210 Y CB 1.755 40.245 38.460 0.050 0.000 1.301 210 Y HN 0.367 nan 8.280 nan 0.000 0.453 211 T N 4.466 118.507 114.554 -0.855 0.000 2.916 211 T HA 0.394 4.744 4.350 0.000 0.000 0.305 211 T C -1.464 172.656 174.700 -0.967 0.000 1.119 211 T CA -0.747 60.964 62.100 -0.650 0.000 1.008 211 T CB 1.040 69.735 68.868 -0.288 0.000 1.129 211 T HN 0.775 nan 8.240 nan 0.000 0.480 212 E N 2.718 122.645 120.200 -0.454 0.000 2.349 212 E HA 0.613 4.963 4.350 0.000 0.000 0.265 212 E C -1.112 175.342 176.600 -0.243 0.000 1.064 212 E CA -0.743 55.449 56.400 -0.346 0.000 0.886 212 E CB 1.002 30.680 29.700 -0.038 0.000 1.036 212 E HN 0.385 nan 8.360 nan 0.000 0.413 213 F N 0.533 120.160 119.950 -0.538 0.000 2.596 213 F HA 0.369 4.896 4.527 0.000 0.000 0.311 213 F C -1.593 174.102 175.800 -0.174 0.000 1.116 213 F CA -0.520 57.315 58.000 -0.275 0.000 0.957 213 F CB 2.440 41.271 39.000 -0.282 0.000 1.250 213 F HN 0.441 nan 8.300 nan 0.000 0.444 214 T N 4.149 118.211 114.554 -0.819 0.000 2.809 214 T HA 0.365 4.715 4.350 0.000 0.000 0.284 214 T C -0.202 174.042 174.700 -0.760 0.000 0.992 214 T CA -0.452 61.309 62.100 -0.566 0.000 0.957 214 T CB 1.401 70.154 68.868 -0.191 0.000 0.942 214 T HN 0.654 nan 8.240 nan 0.000 0.439 215 T N 5.021 119.305 114.554 -0.450 0.000 2.856 215 T HA 0.121 4.471 4.350 0.000 0.000 0.306 215 T C -1.161 173.451 174.700 -0.147 0.000 1.062 215 T CA -1.019 60.944 62.100 -0.229 0.000 1.083 215 T CB 0.547 69.459 68.868 0.075 0.000 0.984 215 T HN 0.292 nan 8.240 nan 0.000 0.542 216 P HA -0.094 nan 4.420 nan 0.000 0.217 216 P C 0.869 178.111 177.300 -0.098 0.000 1.148 216 P CA 1.071 64.138 63.100 -0.055 0.000 0.828 216 P CB 0.119 31.812 31.700 -0.012 0.000 0.783 217 D N -1.964 118.341 120.400 -0.159 0.000 2.363 217 D HA 0.059 4.699 4.640 0.000 0.000 0.226 217 D C 1.465 177.512 176.300 -0.421 0.000 1.020 217 D CA 1.111 54.932 54.000 -0.299 0.000 0.892 217 D CB -0.185 40.364 40.800 -0.419 0.000 0.900 217 D HN 0.209 nan 8.370 nan 0.000 0.531 218 G N 1.400 110.031 108.800 -0.281 0.000 2.157 218 G HA2 -0.222 3.738 3.960 0.000 0.000 0.248 218 G HA3 -0.222 3.738 3.960 0.000 0.000 0.248 218 G C 0.092 174.941 174.900 -0.085 0.000 0.979 218 G CA -0.416 44.585 45.100 -0.165 0.000 0.650 218 G HN 0.378 nan 8.290 nan 0.000 0.529 219 H N -0.463 118.655 119.070 0.080 0.000 2.899 219 H HA 0.307 4.863 4.556 0.000 0.000 0.303 219 H C 0.169 175.598 175.328 0.169 0.000 1.042 219 H CA -0.325 55.802 56.048 0.131 0.000 1.479 219 H CB 0.252 30.146 29.762 0.219 0.000 1.493 219 H HN 0.331 nan 8.280 nan 0.000 0.534 220 Y N 3.727 124.093 120.300 0.109 0.000 2.335 220 Y HA 0.185 4.735 4.550 0.000 0.000 0.331 220 Y C -0.972 174.948 175.900 0.033 0.000 1.094 220 Y CA -0.201 57.937 58.100 0.064 0.000 1.253 220 Y CB 0.357 38.806 38.460 -0.018 0.000 1.203 220 Y HN 0.466 nan 8.280 nan 0.000 0.508 221 Y N 3.344 123.506 120.300 -0.229 0.000 2.462 221 Y HA 0.262 4.813 4.550 0.000 0.000 0.346 221 Y C -0.524 175.278 175.900 -0.162 0.000 0.976 221 Y CA -1.240 56.837 58.100 -0.038 0.000 1.044 221 Y CB 1.387 39.903 38.460 0.093 0.000 1.230 221 Y HN 0.528 nan 8.280 nan 0.000 0.455 222 D N 3.792 124.288 120.400 0.160 0.000 2.277 222 D HA 0.303 4.943 4.640 0.000 0.000 0.249 222 D C -0.566 175.696 176.300 -0.063 0.000 1.134 222 D CA 0.153 54.236 54.000 0.139 0.000 0.863 222 D CB 1.332 42.328 40.800 0.327 0.000 1.143 222 D HN 0.244 nan 8.370 nan 0.000 0.458 223 I N 3.472 123.813 120.570 -0.382 0.000 2.382 223 I HA 0.287 4.457 4.170 0.000 0.000 0.285 223 I C -0.174 175.788 176.117 -0.259 0.000 1.007 223 I CA -0.676 60.354 61.300 -0.449 0.000 1.142 223 I CB 1.057 38.532 38.000 -0.874 0.000 1.289 223 I HN 0.126 nan 8.210 nan 0.000 0.453 224 L N 6.052 127.243 121.223 -0.054 0.000 2.346 224 L HA 0.515 4.855 4.340 0.000 0.000 0.274 224 L C -0.154 176.682 176.870 -0.058 0.000 1.007 224 L CA -0.201 54.644 54.840 0.008 0.000 0.818 224 L CB 2.008 44.052 42.059 -0.026 0.000 1.284 224 L HN 0.576 nan 8.230 nan 0.000 0.424 225 E N 3.443 123.584 120.200 -0.098 0.000 2.165 225 E HA 0.398 4.748 4.350 0.000 0.000 0.266 225 E C -1.672 174.863 176.600 -0.108 0.000 0.889 225 E CA -0.768 55.452 56.400 -0.300 0.000 0.756 225 E CB 1.228 30.654 29.700 -0.457 0.000 1.131 225 E HN 0.413 nan 8.360 nan 0.000 0.411 226 L N 7.568 128.716 121.223 -0.125 0.000 2.283 226 L HA 0.375 4.715 4.340 0.000 0.000 0.281 226 L C -2.240 174.613 176.870 -0.028 0.000 1.033 226 L CA -2.170 52.627 54.840 -0.071 0.000 0.848 226 L CB 0.949 42.848 42.059 -0.267 0.000 1.226 226 L HN 0.422 nan 8.230 nan 0.000 0.429 227 P HA 0.180 nan 4.420 nan 0.000 0.277 227 P C -0.997 176.355 177.300 0.087 0.000 1.240 227 P CA -0.281 62.843 63.100 0.041 0.000 0.798 227 P CB 0.689 32.426 31.700 0.062 0.000 0.979 228 Y N 0.149 120.653 120.300 0.339 0.000 2.354 228 Y HA 0.126 4.676 4.550 0.000 0.000 0.322 228 Y C 2.455 178.518 175.900 0.271 0.000 1.253 228 Y CA -0.130 58.167 58.100 0.328 0.000 1.272 228 Y CB 0.316 38.942 38.460 0.277 0.000 1.255 228 Y HN 0.499 nan 8.280 nan 0.000 0.500 229 H N -0.687 118.551 119.070 0.280 0.000 2.518 229 H HA -0.060 4.496 4.556 -0.000 0.000 0.289 229 H C 1.599 177.018 175.328 0.152 0.000 1.051 229 H CA 1.215 57.366 56.048 0.171 0.000 1.280 229 H CB -0.775 29.062 29.762 0.126 0.000 1.380 229 H HN 0.865 nan 8.280 nan 0.000 0.566 230 G N 0.217 108.859 108.800 -0.263 0.000 2.650 230 G HA2 -0.143 3.817 3.960 0.000 0.000 0.214 230 G HA3 -0.143 3.817 3.960 0.000 0.000 0.214 230 G C 0.120 175.030 174.900 0.017 0.000 1.136 230 G CA 0.436 45.406 45.100 -0.216 0.000 0.789 230 G HN 0.409 nan 8.290 nan 0.000 0.536 231 D N -0.888 119.566 120.400 0.090 0.000 3.059 231 D HA -0.197 4.443 4.640 0.000 0.000 0.220 231 D C 1.712 178.079 176.300 0.111 0.000 1.169 231 D CA 1.719 55.781 54.000 0.103 0.000 0.902 231 D CB -1.481 39.362 40.800 0.073 0.000 1.116 231 D HN 0.638 nan 8.370 nan 0.000 0.417 232 T N -3.283 111.354 114.554 0.139 0.000 2.999 232 T HA 0.367 4.717 4.350 0.000 0.000 0.247 232 T C 0.933 175.686 174.700 0.088 0.000 1.012 232 T CA -0.147 62.010 62.100 0.095 0.000 1.048 232 T CB 0.722 69.693 68.868 0.171 0.000 1.020 232 T HN 0.104 nan 8.240 nan 0.000 0.478 233 L N 2.466 123.833 121.223 0.240 0.000 2.334 233 L HA 0.779 5.119 4.340 0.000 0.000 0.273 233 L C -0.300 176.869 176.870 0.497 0.000 1.013 233 L CA -0.666 54.375 54.840 0.335 0.000 0.816 233 L CB 2.221 44.480 42.059 0.333 0.000 1.278 233 L HN 0.437 nan 8.230 nan 0.000 0.431 234 S N 1.890 117.869 115.700 0.466 0.000 2.596 234 S HA 0.630 5.100 4.470 0.000 0.000 0.270 234 S C -0.952 173.884 174.600 0.393 0.000 1.155 234 S CA -0.922 57.469 58.200 0.318 0.000 0.827 234 S CB 1.725 64.947 63.200 0.036 0.000 1.130 234 S HN 0.608 nan 8.310 nan 0.000 0.467 235 M N 2.258 122.021 119.600 0.270 0.000 2.149 235 M HA 0.564 5.044 4.480 0.000 0.000 0.342 235 M C -1.996 174.443 176.300 0.232 0.000 1.068 235 M CA -0.653 54.904 55.300 0.428 0.000 0.991 235 M CB 0.301 33.262 32.600 0.601 0.000 1.596 235 M HN 0.681 nan 8.290 nan 0.000 0.439 236 F N 5.361 125.504 119.950 0.322 0.000 2.410 236 F HA 0.440 4.967 4.527 0.000 0.000 0.348 236 F C 0.096 176.075 175.800 0.298 0.000 1.106 236 F CA -0.378 57.781 58.000 0.266 0.000 1.163 236 F CB 0.711 39.883 39.000 0.288 0.000 1.129 236 F HN 0.344 nan 8.300 nan 0.000 0.516 237 I N 2.980 123.744 120.570 0.324 0.000 2.433 237 I HA 0.580 4.750 4.170 0.000 0.000 0.292 237 I C -0.329 175.904 176.117 0.195 0.000 1.001 237 I CA -0.916 60.562 61.300 0.295 0.000 1.119 237 I CB 1.266 39.338 38.000 0.120 0.000 1.289 237 I HN 0.601 nan 8.210 nan 0.000 0.438 238 A N 5.142 128.123 122.820 0.269 0.000 2.353 238 A HA 0.913 5.233 4.320 0.000 0.000 0.299 238 A C -0.730 177.074 177.584 0.367 0.000 1.089 238 A CA -0.443 51.705 52.037 0.185 0.000 0.736 238 A CB 1.513 20.554 19.000 0.069 0.000 1.195 238 A HN 0.865 nan 8.150 nan 0.000 0.447 239 A N 3.700 126.733 122.820 0.356 0.000 2.475 239 A HA 0.972 5.292 4.320 0.000 0.000 0.301 239 A C -3.187 174.486 177.584 0.148 0.000 1.059 239 A CA -1.782 50.452 52.037 0.328 0.000 0.710 239 A CB 1.605 20.717 19.000 0.187 0.000 1.288 239 A HN 0.535 nan 8.150 nan 0.000 0.408 240 P HA 0.088 nan 4.420 nan 0.000 0.275 240 P C -0.007 177.181 177.300 -0.186 0.000 1.228 240 P CA 0.126 62.822 63.100 -0.673 0.000 0.786 240 P CB 0.595 31.923 31.700 -0.620 0.000 0.927 241 Y N 1.974 122.183 120.300 -0.152 0.000 2.224 241 Y HA -0.100 4.450 4.550 0.000 0.000 0.289 241 Y C 0.723 176.577 175.900 -0.077 0.000 1.146 241 Y CA 1.389 59.491 58.100 0.003 0.000 1.182 241 Y CB 0.423 38.983 38.460 0.166 0.000 0.983 241 Y HN 0.393 nan 8.280 nan 0.000 0.524 242 E N -0.404 119.759 120.200 -0.062 0.000 2.187 242 E HA 0.162 4.512 4.350 0.000 0.000 0.268 242 E C 0.468 176.964 176.600 -0.173 0.000 0.896 242 E CA -0.456 55.858 56.400 -0.142 0.000 0.766 242 E CB 1.675 31.356 29.700 -0.031 0.000 1.142 242 E HN 0.110 nan 8.360 nan 0.000 0.408 243 K N 1.662 121.935 120.400 -0.213 0.000 2.113 243 K HA -0.248 4.073 4.320 0.000 0.000 0.208 243 K C 1.221 177.738 176.600 -0.138 0.000 1.047 243 K CA 1.538 57.702 56.287 -0.206 0.000 0.928 243 K CB 0.031 32.358 32.500 -0.289 0.000 0.716 243 K HN 0.371 nan 8.250 nan 0.000 0.446 244 E N 0.493 120.623 120.200 -0.118 0.000 2.204 244 E HA -0.085 4.265 4.350 0.000 0.000 0.195 244 E C 0.090 176.629 176.600 -0.102 0.000 0.990 244 E CA 0.486 56.835 56.400 -0.084 0.000 0.821 244 E CB -0.043 29.621 29.700 -0.060 0.000 0.750 244 E HN -0.025 nan 8.360 nan 0.000 0.477 245 V N 4.073 123.893 119.914 -0.157 0.000 2.485 245 V HA 0.055 4.175 4.120 0.000 0.000 0.287 245 V C -1.917 174.102 176.094 -0.125 0.000 1.022 245 V CA -1.296 60.854 62.300 -0.251 0.000 1.067 245 V CB 0.162 31.737 31.823 -0.413 0.000 0.967 245 V HN 0.132 nan 8.190 nan 0.000 0.479 246 P HA 0.026 nan 4.420 nan 0.000 0.268 246 P C 0.534 177.885 177.300 0.084 0.000 1.205 246 P CA -0.314 62.788 63.100 0.005 0.000 0.771 246 P CB 1.068 32.772 31.700 0.008 0.000 0.858 247 L N 3.524 124.816 121.223 0.116 0.000 2.376 247 L HA -0.130 4.210 4.340 0.000 0.000 0.219 247 L C 2.291 179.249 176.870 0.147 0.000 1.133 247 L CA 1.927 56.880 54.840 0.188 0.000 0.816 247 L CB -1.127 41.030 42.059 0.164 0.000 0.933 247 L HN 0.438 nan 8.230 nan 0.000 0.449 248 S N -0.956 114.799 115.700 0.092 0.000 2.419 248 S HA -0.131 4.339 4.470 0.000 0.000 0.233 248 S C 2.178 176.831 174.600 0.089 0.000 1.016 248 S CA 0.714 58.951 58.200 0.061 0.000 0.974 248 S CB -0.821 62.395 63.200 0.026 0.000 0.786 248 S HN 0.468 nan 8.310 nan 0.000 0.492 249 A N 1.846 124.748 122.820 0.137 0.000 1.917 249 A HA -0.048 4.272 4.320 0.000 0.000 0.219 249 A C 2.226 179.893 177.584 0.138 0.000 1.182 249 A CA 1.851 54.001 52.037 0.187 0.000 0.633 249 A CB -0.829 18.367 19.000 0.326 0.000 0.819 249 A HN 0.555 nan 8.150 nan 0.000 0.448 250 L N -0.027 121.248 121.223 0.086 0.000 2.102 250 L HA -0.039 4.301 4.340 0.000 0.000 0.202 250 L C 2.746 179.661 176.870 0.076 0.000 1.076 250 L CA 2.891 57.732 54.840 0.001 0.000 0.761 250 L CB -1.105 40.832 42.059 -0.203 0.000 0.921 250 L HN 0.542 nan 8.230 nan 0.000 0.444 251 T N -3.186 111.420 114.554 0.087 0.000 2.915 251 T HA -0.120 4.230 4.350 0.000 0.000 0.269 251 T C 1.746 176.471 174.700 0.042 0.000 1.071 251 T CA 1.304 63.461 62.100 0.094 0.000 1.132 251 T CB -0.632 68.289 68.868 0.090 0.000 0.878 251 T HN 0.283 nan 8.240 nan 0.000 0.479 252 N N 1.894 120.615 118.700 0.034 0.000 2.309 252 N HA 0.054 4.795 4.740 0.000 0.000 0.182 252 N C 1.697 177.221 175.510 0.023 0.000 1.018 252 N CA 1.319 54.380 53.050 0.017 0.000 0.876 252 N CB -0.316 38.188 38.487 0.028 0.000 0.972 252 N HN 0.828 nan 8.380 nan 0.000 0.434 253 I N -3.031 117.567 120.570 0.047 0.000 4.018 253 I HA 0.240 4.410 4.170 0.000 0.000 0.337 253 I C 0.110 176.232 176.117 0.008 0.000 1.327 253 I CA -0.258 61.070 61.300 0.048 0.000 1.100 253 I CB 0.077 38.139 38.000 0.104 0.000 1.025 253 I HN -0.171 nan 8.210 nan 0.000 0.396 254 L N 2.553 123.768 121.223 -0.013 0.000 2.483 254 L HA 0.248 4.588 4.340 0.000 0.000 0.275 254 L C 0.435 177.227 176.870 -0.129 0.000 1.220 254 L CA 0.541 55.323 54.840 -0.098 0.000 0.833 254 L CB 0.971 43.002 42.059 -0.047 0.000 1.102 254 L HN 0.642 nan 8.230 nan 0.000 0.490 255 S N 0.630 116.195 115.700 -0.225 0.000 2.615 255 S HA 0.455 4.925 4.470 0.000 0.000 0.268 255 S C 0.111 174.548 174.600 -0.273 0.000 1.146 255 S CA -0.267 57.814 58.200 -0.199 0.000 0.818 255 S CB 1.219 64.330 63.200 -0.148 0.000 1.111 255 S HN 0.628 nan 8.310 nan 0.000 0.465 256 A N 0.568 123.239 122.820 -0.249 0.000 1.930 256 A HA -0.009 4.311 4.320 0.000 0.000 0.217 256 A C 2.041 179.518 177.584 -0.178 0.000 1.175 256 A CA 1.801 53.676 52.037 -0.269 0.000 0.627 256 A CB -1.129 17.609 19.000 -0.437 0.000 0.815 256 A HN 0.816 nan 8.150 nan 0.000 0.443 257 Q N -1.064 118.686 119.800 -0.083 0.000 2.079 257 Q HA -0.116 4.224 4.340 0.000 0.000 0.200 257 Q C 2.047 177.926 176.000 -0.201 0.000 0.974 257 Q CA 1.434 57.213 55.803 -0.040 0.000 0.840 257 Q CB -0.319 28.419 28.738 0.001 0.000 0.898 257 Q HN 0.577 nan 8.270 nan 0.000 0.430 258 L N 0.618 121.631 121.223 -0.351 0.000 2.046 258 L HA -0.165 4.175 4.340 0.000 0.000 0.208 258 L C 1.869 178.130 176.870 -1.015 0.000 1.077 258 L CA 1.633 56.102 54.840 -0.619 0.000 0.747 258 L CB -0.321 41.302 42.059 -0.727 0.000 0.896 258 L HN 0.241 nan 8.230 nan 0.000 0.432 259 I N -1.346 118.661 120.570 -0.938 0.000 2.179 259 I HA -0.311 3.860 4.170 0.000 0.000 0.242 259 I C 2.670 178.504 176.117 -0.471 0.000 1.088 259 I CA 1.554 62.324 61.300 -0.884 0.000 1.357 259 I CB -0.671 36.921 38.000 -0.680 0.000 1.051 259 I HN 0.353 nan 8.210 nan 0.000 0.409 260 S N -0.055 115.474 115.700 -0.284 0.000 2.382 260 S HA -0.294 4.176 4.470 0.000 0.000 0.228 260 S C 2.166 176.764 174.600 -0.004 0.000 1.027 260 S CA 1.684 59.827 58.200 -0.096 0.000 0.991 260 S CB -0.393 62.789 63.200 -0.031 0.000 0.823 260 S HN 0.545 nan 8.310 nan 0.000 0.469 261 H N -0.293 118.682 119.070 -0.158 0.000 2.428 261 H HA 0.016 4.572 4.556 0.000 0.000 0.296 261 H C 1.659 177.029 175.328 0.069 0.000 1.062 261 H CA 1.863 57.873 56.048 -0.063 0.000 1.350 261 H CB -0.342 29.358 29.762 -0.103 0.000 1.403 261 H HN 0.452 nan 8.280 nan 0.000 0.533 262 W N 1.298 122.494 121.300 -0.173 0.000 2.353 262 W HA -0.117 4.543 4.660 0.000 0.000 0.319 262 W C 2.537 179.017 176.519 -0.065 0.000 1.207 262 W CA 1.464 58.692 57.345 -0.196 0.000 1.291 262 W CB -1.243 28.098 29.460 -0.199 0.000 1.159 262 W HN 0.217 nan 8.180 nan 0.000 0.478 263 K N 0.380 120.957 120.400 0.295 0.000 2.113 263 K HA -0.135 4.185 4.320 0.000 0.000 0.208 263 K C 2.130 178.829 176.600 0.164 0.000 1.047 263 K CA 2.109 58.586 56.287 0.317 0.000 0.928 263 K CB -1.134 31.561 32.500 0.326 0.000 0.716 263 K HN 0.064 nan 8.250 nan 0.000 0.446 264 G N -0.396 108.460 108.800 0.093 0.000 2.509 264 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 264 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 264 G C 1.177 176.089 174.900 0.019 0.000 1.124 264 G CA 0.582 45.716 45.100 0.056 0.000 0.776 264 G HN 0.367 nan 8.290 nan 0.000 0.547 265 N N -0.227 118.466 118.700 -0.013 0.000 2.177 265 N HA 0.225 4.965 4.740 0.000 0.000 0.218 265 N C 0.242 175.756 175.510 0.008 0.000 1.182 265 N CA -0.080 52.951 53.050 -0.031 0.000 0.882 265 N CB 0.491 38.903 38.487 -0.126 0.000 1.052 265 N HN 0.292 nan 8.380 nan 0.000 0.519 266 M N 0.819 120.445 119.600 0.044 0.000 2.274 266 M HA 0.181 4.661 4.480 0.000 0.000 0.344 266 M C 0.346 176.690 176.300 0.073 0.000 1.161 266 M CA 0.131 55.464 55.300 0.056 0.000 1.126 266 M CB 1.368 34.017 32.600 0.082 0.000 1.522 266 M HN -0.051 nan 8.290 nan 0.000 0.461 267 T N -0.373 114.240 114.554 0.098 0.000 2.900 267 T HA 0.543 4.893 4.350 0.000 0.000 0.295 267 T C -0.477 174.288 174.700 0.108 0.000 1.044 267 T CA -1.224 60.930 62.100 0.090 0.000 0.995 267 T CB 1.366 70.282 68.868 0.080 0.000 1.072 267 T HN 0.632 nan 8.240 nan 0.000 0.473 268 R N 1.530 122.073 120.500 0.071 0.000 2.370 268 R HA 0.516 4.856 4.340 0.000 0.000 0.309 268 R C -0.572 175.757 176.300 0.049 0.000 1.059 268 R CA -0.129 56.004 56.100 0.055 0.000 0.981 268 R CB 0.013 30.318 30.300 0.008 0.000 0.972 268 R HN 0.522 nan 8.270 nan 0.000 0.437 269 L N 5.409 126.671 121.223 0.065 0.000 2.381 269 L HA 0.511 4.851 4.340 0.000 0.000 0.268 269 L C -2.192 174.689 176.870 0.018 0.000 0.997 269 L CA -2.563 52.298 54.840 0.035 0.000 0.818 269 L CB 2.539 44.617 42.059 0.030 0.000 1.310 269 L HN 0.426 nan 8.230 nan 0.000 0.416 270 P HA 0.295 nan 4.420 nan 0.000 0.276 270 P C -1.376 175.932 177.300 0.013 0.000 1.235 270 P CA -0.287 62.804 63.100 -0.015 0.000 0.772 270 P CB 0.926 32.609 31.700 -0.028 0.000 0.871 271 R N 1.418 121.957 120.500 0.065 0.000 2.765 271 R HA 0.490 4.830 4.340 0.000 0.000 0.277 271 R C -1.700 174.673 176.300 0.120 0.000 1.028 271 R CA -1.175 54.961 56.100 0.060 0.000 0.860 271 R CB 0.166 30.467 30.300 0.002 0.000 1.270 271 R HN 0.233 nan 8.270 nan 0.000 0.484 272 L N 2.046 123.306 121.223 0.062 0.000 2.319 272 L HA 0.425 4.765 4.340 0.000 0.000 0.280 272 L C -0.907 175.986 176.870 0.038 0.000 1.099 272 L CA -0.355 54.528 54.840 0.072 0.000 0.828 272 L CB 1.216 43.298 42.059 0.039 0.000 1.150 272 L HN 0.618 nan 8.230 nan 0.000 0.442 273 L N 7.239 128.491 121.223 0.049 0.000 2.319 273 L HA 0.489 4.829 4.340 0.000 0.000 0.281 273 L C -1.335 175.550 176.870 0.025 0.000 1.005 273 L CA -0.557 54.238 54.840 -0.075 0.000 0.828 273 L CB 1.741 43.559 42.059 -0.402 0.000 1.227 273 L HN 0.431 nan 8.230 nan 0.000 0.415 274 V N 6.639 126.546 119.914 -0.011 0.000 2.328 274 V HA 0.380 4.500 4.120 0.000 0.000 0.278 274 V C -0.204 175.833 176.094 -0.094 0.000 1.021 274 V CA -0.504 61.798 62.300 0.003 0.000 0.838 274 V CB 1.636 33.499 31.823 0.067 0.000 0.999 274 V HN 0.613 nan 8.190 nan 0.000 0.447 275 L N 9.022 130.137 121.223 -0.179 0.000 2.381 275 L HA 0.749 5.089 4.340 0.000 0.000 0.274 275 L C -2.670 174.067 176.870 -0.221 0.000 0.988 275 L CA -1.847 52.844 54.840 -0.248 0.000 0.824 275 L CB 2.502 44.365 42.059 -0.326 0.000 1.263 275 L HN 0.330 nan 8.230 nan 0.000 0.410 276 P HA 0.159 nan 4.420 nan 0.000 0.269 276 P C -1.401 175.924 177.300 0.040 0.000 1.209 276 P CA -0.249 62.853 63.100 0.004 0.000 0.776 276 P CB 0.277 32.054 31.700 0.128 0.000 0.876 277 K N 2.879 123.253 120.400 -0.044 0.000 2.154 277 K HA 0.635 4.955 4.320 0.000 0.000 0.264 277 K C -0.447 176.198 176.600 0.075 0.000 1.008 277 K CA -0.347 55.890 56.287 -0.083 0.000 0.937 277 K CB 0.349 32.770 32.500 -0.133 0.000 1.002 277 K HN 0.456 nan 8.250 nan 0.000 0.469 278 F N -2.630 117.287 119.950 -0.054 0.000 2.678 278 F HA 0.502 5.029 4.527 -0.000 0.000 0.308 278 F C -1.526 174.232 175.800 -0.070 0.000 1.118 278 F CA -1.032 56.929 58.000 -0.065 0.000 0.959 278 F CB 1.877 40.843 39.000 -0.057 0.000 1.305 278 F HN 0.394 nan 8.300 nan 0.000 0.443 279 S N 3.250 119.042 115.700 0.154 0.000 2.746 279 S HA 0.623 5.093 4.470 0.000 0.000 0.273 279 S C -1.007 173.672 174.600 0.132 0.000 1.172 279 S CA -0.579 57.666 58.200 0.075 0.000 1.116 279 S CB 0.691 63.894 63.200 0.005 0.000 1.057 279 S HN 0.605 nan 8.310 nan 0.000 0.483 280 L N 2.752 124.086 121.223 0.185 0.000 2.334 280 L HA 0.626 4.966 4.340 0.000 0.000 0.275 280 L C -0.025 176.924 176.870 0.131 0.000 1.036 280 L CA -0.588 54.349 54.840 0.162 0.000 0.807 280 L CB 1.571 43.758 42.059 0.213 0.000 1.231 280 L HN 0.516 nan 8.230 nan 0.000 0.438 281 E N 1.377 121.646 120.200 0.115 0.000 2.260 281 E HA 0.403 4.753 4.350 0.000 0.000 0.266 281 E C -1.146 175.526 176.600 0.120 0.000 0.887 281 E CA -0.514 55.952 56.400 0.110 0.000 0.777 281 E CB 2.410 32.159 29.700 0.082 0.000 1.205 281 E HN 0.641 nan 8.360 nan 0.000 0.414 282 T N 0.039 114.680 114.554 0.145 0.000 2.893 282 T HA 0.565 4.915 4.350 0.000 0.000 0.293 282 T C -0.613 174.176 174.700 0.149 0.000 1.027 282 T CA -0.980 61.209 62.100 0.148 0.000 0.988 282 T CB 2.018 70.998 68.868 0.185 0.000 1.043 282 T HN 0.415 nan 8.240 nan 0.000 0.461 283 E N 1.563 121.839 120.200 0.127 0.000 2.218 283 E HA 0.588 4.938 4.350 0.000 0.000 0.263 283 E C -1.544 175.127 176.600 0.119 0.000 0.879 283 E CA -1.011 55.464 56.400 0.124 0.000 0.762 283 E CB 1.980 31.740 29.700 0.100 0.000 1.166 283 E HN 0.624 nan 8.360 nan 0.000 0.415 284 V N 3.880 123.881 119.914 0.145 0.000 2.604 284 V HA 0.365 4.485 4.120 0.000 0.000 0.305 284 V C -1.054 175.108 176.094 0.114 0.000 1.043 284 V CA -0.749 61.629 62.300 0.129 0.000 0.888 284 V CB 1.864 33.795 31.823 0.180 0.000 0.995 284 V HN 0.840 nan 8.190 nan 0.000 0.429 285 D N 4.568 125.011 120.400 0.071 0.000 2.312 285 D HA 0.255 4.895 4.640 0.000 0.000 0.252 285 D C 0.655 176.987 176.300 0.052 0.000 1.150 285 D CA 0.096 54.131 54.000 0.058 0.000 0.870 285 D CB 1.641 42.453 40.800 0.021 0.000 1.153 285 D HN 0.622 nan 8.370 nan 0.000 0.457 286 L N 3.909 125.186 121.223 0.089 0.000 2.607 286 L HA 0.166 4.506 4.340 0.000 0.000 0.228 286 L C 2.342 179.248 176.870 0.060 0.000 1.123 286 L CA -0.244 54.660 54.840 0.107 0.000 0.890 286 L CB 0.006 42.179 42.059 0.191 0.000 1.103 286 L HN 0.385 nan 8.230 nan 0.000 0.468 287 R N 1.275 121.738 120.500 -0.061 0.000 2.088 287 R HA -0.196 4.144 4.340 0.000 0.000 0.232 287 R C 2.080 178.187 176.300 -0.322 0.000 1.136 287 R CA 1.781 57.633 56.100 -0.413 0.000 0.926 287 R CB -0.010 29.949 30.300 -0.568 0.000 0.837 287 R HN 0.207 nan 8.270 nan 0.000 0.429 288 K N -0.360 119.916 120.400 -0.206 0.000 2.026 288 K HA -0.094 4.227 4.320 0.000 0.000 0.208 288 K C -0.656 175.888 176.600 -0.093 0.000 1.048 288 K CA 1.791 57.990 56.287 -0.146 0.000 0.929 288 K CB -0.898 31.535 32.500 -0.113 0.000 0.713 288 K HN 0.302 nan 8.250 nan 0.000 0.439 289 P HA -0.155 nan 4.420 nan 0.000 0.216 289 P C 1.250 178.540 177.300 -0.017 0.000 1.150 289 P CA 1.229 64.287 63.100 -0.071 0.000 0.837 289 P CB 0.057 31.701 31.700 -0.092 0.000 0.786 290 L N -0.828 120.425 121.223 0.049 0.000 2.109 290 L HA -0.103 4.237 4.340 0.000 0.000 0.207 290 L C 2.336 179.301 176.870 0.159 0.000 1.086 290 L CA 1.340 56.276 54.840 0.160 0.000 0.760 290 L CB -0.717 41.533 42.059 0.319 0.000 0.910 290 L HN 0.003 nan 8.230 nan 0.000 0.437 291 E N 0.011 120.259 120.200 0.080 0.000 2.106 291 E HA -0.171 4.179 4.350 0.000 0.000 0.192 291 E C 1.769 178.391 176.600 0.037 0.000 0.984 291 E CA 0.805 57.242 56.400 0.063 0.000 0.806 291 E CB -0.012 29.663 29.700 -0.042 0.000 0.750 291 E HN 0.433 nan 8.360 nan 0.000 0.458 292 N N 0.650 119.353 118.700 0.005 0.000 2.223 292 N HA -0.106 4.634 4.740 0.000 0.000 0.185 292 N C 1.255 176.774 175.510 0.015 0.000 1.016 292 N CA 0.832 53.879 53.050 -0.005 0.000 0.863 292 N CB 0.011 38.478 38.487 -0.034 0.000 0.983 292 N HN 0.174 nan 8.380 nan 0.000 0.429 293 L N -0.562 120.686 121.223 0.041 0.000 2.688 293 L HA 0.252 4.592 4.340 0.000 0.000 0.234 293 L C 1.121 178.043 176.870 0.087 0.000 1.192 293 L CA 0.004 54.885 54.840 0.068 0.000 0.984 293 L CB -0.283 41.837 42.059 0.103 0.000 1.232 293 L HN 0.193 nan 8.230 nan 0.000 0.465 294 G N 0.030 108.873 108.800 0.072 0.000 2.175 294 G HA2 -0.319 3.641 3.960 0.000 0.000 0.244 294 G HA3 -0.319 3.641 3.960 0.000 0.000 0.244 294 G C 0.369 175.318 174.900 0.081 0.000 0.982 294 G CA -0.211 44.928 45.100 0.064 0.000 0.641 294 G HN 0.314 nan 8.290 nan 0.000 0.527 295 M N 2.790 122.463 119.600 0.122 0.000 3.422 295 M HA 0.301 4.781 4.480 0.000 0.000 0.248 295 M C 1.772 178.210 176.300 0.230 0.000 1.433 295 M CA 0.774 56.159 55.300 0.141 0.000 1.592 295 M CB 0.315 33.013 32.600 0.162 0.000 1.078 295 M HN 0.381 nan 8.290 nan 0.000 0.578 296 T N -4.036 110.623 114.554 0.175 0.000 3.039 296 T HA 0.045 4.395 4.350 0.000 0.000 0.250 296 T C 1.175 176.011 174.700 0.225 0.000 1.052 296 T CA 0.399 62.634 62.100 0.225 0.000 1.125 296 T CB 0.069 69.010 68.868 0.122 0.000 0.908 296 T HN 0.295 nan 8.240 nan 0.000 0.473 297 D N 2.350 122.819 120.400 0.116 0.000 2.178 297 D HA -0.057 4.583 4.640 0.000 0.000 0.201 297 D C 2.164 178.502 176.300 0.063 0.000 0.980 297 D CA 1.371 55.416 54.000 0.075 0.000 0.842 297 D CB -0.404 40.410 40.800 0.023 0.000 0.948 297 D HN 0.651 nan 8.370 nan 0.000 0.472 298 M N -1.800 117.789 119.600 -0.019 0.000 2.446 298 M HA -0.033 4.447 4.480 0.000 0.000 0.263 298 M C 0.868 177.089 176.300 -0.132 0.000 1.066 298 M CA 1.291 56.522 55.300 -0.115 0.000 1.087 298 M CB -0.370 32.052 32.600 -0.298 0.000 1.406 298 M HN -0.140 nan 8.290 nan 0.000 0.459 299 F N 1.126 121.155 119.950 0.132 0.000 2.749 299 F HA 0.298 4.826 4.527 0.001 0.000 0.300 299 F C 0.768 176.614 175.800 0.076 0.000 1.103 299 F CA -0.191 57.888 58.000 0.131 0.000 1.342 299 F CB 0.171 39.221 39.000 0.084 0.000 1.098 299 F HN 0.000 nan 8.300 nan 0.000 0.586 300 R N 1.637 122.243 120.500 0.177 0.000 2.229 300 R HA 0.306 4.646 4.340 0.000 0.000 0.328 300 R C -2.720 173.534 176.300 -0.077 0.000 1.009 300 R CA -2.042 54.085 56.100 0.046 0.000 0.864 300 R CB 0.042 30.388 30.300 0.078 0.000 1.085 300 R HN -0.114 nan 8.270 nan 0.000 0.453 301 P HA -0.012 nan 4.420 nan 0.000 0.265 301 P C -0.086 177.155 177.300 -0.099 0.000 1.193 301 P CA 0.223 63.016 63.100 -0.512 0.000 0.765 301 P CB 0.105 31.474 31.700 -0.550 0.000 0.823 302 F N -0.849 119.089 119.950 -0.022 0.000 2.574 302 F HA -0.351 4.175 4.527 -0.002 0.000 0.630 302 F C 1.991 177.805 175.800 0.023 0.000 0.496 302 F CA 1.850 59.856 58.000 0.009 0.000 0.836 302 F CB -1.398 37.596 39.000 -0.011 0.000 1.679 302 F HN 0.349 nan 8.300 nan 0.000 0.260 303 Q N 1.413 121.321 119.800 0.180 0.000 2.212 303 Q HA 0.281 4.621 4.340 0.000 0.000 0.199 303 Q C 1.276 177.332 176.000 0.092 0.000 0.950 303 Q CA 0.738 56.611 55.803 0.117 0.000 0.863 303 Q CB 0.122 28.913 28.738 0.090 0.000 0.944 303 Q HN 0.494 nan 8.270 nan 0.000 0.465 304 A N 1.358 124.244 122.820 0.109 0.000 2.466 304 A HA 0.036 4.356 4.320 0.000 0.000 0.238 304 A C -0.383 177.278 177.584 0.129 0.000 1.074 304 A CA 0.154 52.267 52.037 0.127 0.000 0.774 304 A CB 0.341 19.496 19.000 0.259 0.000 1.015 304 A HN 0.342 nan 8.150 nan 0.000 0.498 305 D N 1.128 121.531 120.400 0.005 0.000 2.454 305 D HA 0.448 5.088 4.640 0.000 0.000 0.247 305 D C -1.275 174.906 176.300 -0.197 0.000 1.129 305 D CA -0.207 53.772 54.000 -0.034 0.000 0.877 305 D CB 0.331 41.088 40.800 -0.073 0.000 1.082 305 D HN 0.275 nan 8.370 nan 0.000 0.537 306 F N 1.579 121.498 119.950 -0.052 0.000 2.855 306 F HA 0.077 4.606 4.527 0.003 0.000 0.317 306 F C 2.187 177.940 175.800 -0.078 0.000 1.169 306 F CA -0.208 57.745 58.000 -0.078 0.000 1.299 306 F CB 0.660 39.593 39.000 -0.111 0.000 0.962 306 F HN 0.277 nan 8.300 nan 0.000 0.506 307 T N -4.329 110.253 114.554 0.048 0.000 3.025 307 T HA -0.135 4.215 4.350 0.000 0.000 0.270 307 T C 1.988 176.695 174.700 0.010 0.000 1.126 307 T CA 1.357 63.472 62.100 0.025 0.000 1.105 307 T CB -0.205 68.672 68.868 0.014 0.000 0.884 307 T HN 0.118 nan 8.240 nan 0.000 0.522 308 S N 0.310 116.013 115.700 0.005 0.000 2.561 308 S HA 0.282 4.752 4.470 0.000 0.000 0.225 308 S C 1.376 175.993 174.600 0.029 0.000 0.977 308 S CA 0.093 58.317 58.200 0.040 0.000 0.926 308 S CB -0.130 63.104 63.200 0.056 0.000 0.769 308 S HN 0.454 nan 8.310 nan 0.000 0.533 309 L N -0.636 120.529 121.223 -0.097 0.000 2.515 309 L HA 0.478 4.818 4.340 0.000 0.000 0.202 309 L C 0.214 176.931 176.870 -0.255 0.000 1.056 309 L CA 0.690 55.295 54.840 -0.391 0.000 0.847 309 L CB 0.623 42.463 42.059 -0.365 0.000 1.131 309 L HN 0.067 nan 8.230 nan 0.000 0.484 310 S N -0.809 114.823 115.700 -0.114 0.000 2.603 310 S HA 0.324 4.794 4.470 0.000 0.000 0.274 310 S C -0.736 173.847 174.600 -0.028 0.000 1.168 310 S CA -0.591 57.561 58.200 -0.080 0.000 0.963 310 S CB 0.879 64.015 63.200 -0.107 0.000 1.078 310 S HN 0.255 nan 8.310 nan 0.000 0.477 311 D N 2.519 122.910 120.400 -0.015 0.000 2.340 311 D HA 0.045 4.685 4.640 0.000 0.000 0.220 311 D C 1.501 177.801 176.300 0.000 0.000 1.039 311 D CA 0.334 54.335 54.000 0.002 0.000 0.866 311 D CB 0.340 41.145 40.800 0.008 0.000 0.913 311 D HN 0.566 nan 8.370 nan 0.000 0.523 312 Q N 1.297 121.089 119.800 -0.014 0.000 2.297 312 Q HA -0.077 4.263 4.340 0.000 0.000 0.204 312 Q C -0.279 175.715 176.000 -0.010 0.000 0.962 312 Q CA 0.770 56.565 55.803 -0.013 0.000 0.879 312 Q CB 0.218 28.942 28.738 -0.024 0.000 0.947 312 Q HN 0.424 nan 8.270 nan 0.000 0.462 313 E N -1.728 118.462 120.200 -0.016 0.000 2.389 313 E HA 0.327 4.677 4.350 0.000 0.000 0.281 313 E C -2.784 173.802 176.600 -0.023 0.000 1.072 313 E CA -1.851 54.540 56.400 -0.014 0.000 0.845 313 E CB 0.486 30.165 29.700 -0.036 0.000 1.239 313 E HN -0.120 nan 8.360 nan 0.000 0.434 314 P HA 0.216 nan 4.420 nan 0.000 0.271 314 P C -0.783 176.454 177.300 -0.104 0.000 1.216 314 P CA -0.068 63.020 63.100 -0.021 0.000 0.771 314 P CB 0.671 32.361 31.700 -0.016 0.000 0.864 315 L N 3.367 124.534 121.223 -0.094 0.000 2.409 315 L HA 0.560 4.900 4.340 0.000 0.000 0.262 315 L C 0.259 177.022 176.870 -0.178 0.000 0.992 315 L CA -0.807 53.866 54.840 -0.278 0.000 0.817 315 L CB 2.255 43.991 42.059 -0.538 0.000 1.350 315 L HN 0.618 nan 8.230 nan 0.000 0.411 316 H N -0.131 118.714 119.070 -0.375 0.000 2.990 316 H HA 0.498 5.054 4.556 -0.000 0.000 0.343 316 H C -1.419 173.749 175.328 -0.267 0.000 1.270 316 H CA -0.912 55.026 56.048 -0.184 0.000 1.118 316 H CB 1.570 31.275 29.762 -0.095 0.000 1.861 316 H HN 0.245 nan 8.280 nan 0.000 0.544 317 V N 1.923 121.770 119.914 -0.112 0.000 2.439 317 V HA 0.192 4.312 4.120 0.000 0.000 0.271 317 V C 1.465 177.548 176.094 -0.019 0.000 1.040 317 V CA 0.586 62.768 62.300 -0.197 0.000 1.002 317 V CB 0.162 31.770 31.823 -0.358 0.000 1.000 317 V HN 0.977 nan 8.190 nan 0.000 0.477 318 A N 6.197 128.927 122.820 -0.149 0.000 1.874 318 A HA 0.355 4.675 4.320 0.000 0.000 0.214 318 A C 0.594 178.248 177.584 0.116 0.000 1.189 318 A CA 1.246 53.267 52.037 -0.025 0.000 0.615 318 A CB -0.085 18.824 19.000 -0.152 0.000 0.830 318 A HN 0.904 nan 8.150 nan 0.000 0.443 319 L N -5.790 115.490 121.223 0.095 0.000 2.582 319 L HA 0.857 5.197 4.340 0.000 0.000 0.257 319 L C -0.717 176.256 176.870 0.171 0.000 0.974 319 L CA -0.583 54.358 54.840 0.168 0.000 0.851 319 L CB 1.639 43.752 42.059 0.091 0.000 1.424 319 L HN 0.227 nan 8.230 nan 0.000 0.412 320 A N 2.262 125.225 122.820 0.239 0.000 2.343 320 A HA 0.994 5.314 4.320 0.000 0.000 0.316 320 A C -1.025 176.656 177.584 0.161 0.000 1.104 320 A CA -0.526 51.635 52.037 0.205 0.000 0.768 320 A CB 1.435 20.616 19.000 0.303 0.000 1.213 320 A HN 1.422 nan 8.150 nan 0.000 0.456 321 L N -0.675 120.628 121.223 0.135 0.000 2.469 321 L HA 0.861 5.201 4.340 0.000 0.000 0.256 321 L C -0.857 176.089 176.870 0.127 0.000 1.006 321 L CA -0.533 54.383 54.840 0.126 0.000 0.832 321 L CB 1.947 44.067 42.059 0.102 0.000 1.421 321 L HN 0.753 nan 8.230 nan 0.000 0.410 322 Q N 1.248 121.131 119.800 0.138 0.000 2.315 322 Q HA 0.539 4.879 4.340 0.000 0.000 0.273 322 Q C -1.718 174.358 176.000 0.127 0.000 1.053 322 Q CA -0.793 55.080 55.803 0.116 0.000 0.817 322 Q CB 2.429 31.220 28.738 0.087 0.000 1.326 322 Q HN 0.764 nan 8.270 nan 0.000 0.423 323 K N 2.286 122.755 120.400 0.115 0.000 2.221 323 K HA 0.662 4.982 4.320 0.000 0.000 0.258 323 K C -1.377 175.307 176.600 0.140 0.000 0.944 323 K CA -0.677 55.686 56.287 0.127 0.000 0.823 323 K CB 2.011 34.581 32.500 0.116 0.000 1.113 323 K HN 0.445 nan 8.250 nan 0.000 0.431 324 V N 2.970 122.982 119.914 0.164 0.000 2.760 324 V HA 0.426 4.546 4.120 0.000 0.000 0.309 324 V C -0.831 175.360 176.094 0.161 0.000 1.077 324 V CA -1.010 61.412 62.300 0.204 0.000 0.910 324 V CB 2.178 34.160 31.823 0.267 0.000 1.008 324 V HN 0.704 nan 8.190 nan 0.000 0.424 325 K N 3.468 123.935 120.400 0.112 0.000 2.426 325 K HA 0.802 5.122 4.320 0.000 0.000 0.251 325 K C -1.473 175.093 176.600 -0.058 0.000 0.941 325 K CA -0.762 55.555 56.287 0.049 0.000 0.808 325 K CB 3.147 35.668 32.500 0.035 0.000 1.265 325 K HN 0.655 nan 8.250 nan 0.000 0.432 326 I N 1.053 121.598 120.570 -0.041 0.000 2.680 326 I HA 0.199 4.369 4.170 0.000 0.000 0.291 326 I C -1.768 174.277 176.117 -0.119 0.000 1.244 326 I CA -0.272 60.949 61.300 -0.130 0.000 1.042 326 I CB 1.949 39.903 38.000 -0.076 0.000 1.277 326 I HN 0.697 nan 8.210 nan 0.000 0.423 327 E N 6.948 127.024 120.200 -0.208 0.000 2.199 327 E HA 0.588 4.939 4.350 0.000 0.000 0.265 327 E C -1.973 174.415 176.600 -0.353 0.000 0.882 327 E CA -0.653 55.600 56.400 -0.244 0.000 0.759 327 E CB 2.175 31.773 29.700 -0.171 0.000 1.148 327 E HN 0.437 nan 8.360 nan 0.000 0.412 328 V N 5.594 125.184 119.914 -0.541 0.000 2.409 328 V HA 0.386 4.506 4.120 0.000 0.000 0.291 328 V C -0.206 175.710 176.094 -0.297 0.000 1.020 328 V CA -0.651 61.357 62.300 -0.488 0.000 0.848 328 V CB 1.207 32.479 31.823 -0.918 0.000 0.990 328 V HN 0.811 nan 8.190 nan 0.000 0.430 329 N N 3.190 121.843 118.700 -0.077 0.000 3.439 329 N HA 0.350 5.090 4.740 0.000 0.000 0.343 329 N C 0.490 176.113 175.510 0.188 0.000 1.597 329 N CA -0.793 52.246 53.050 -0.018 0.000 0.733 329 N CB 0.801 39.262 38.487 -0.043 0.000 1.973 329 N HN 0.202 nan 8.380 nan 0.000 0.646 330 E N -0.465 119.829 120.200 0.157 0.000 2.150 330 E HA -0.080 4.271 4.350 0.000 0.000 0.193 330 E C 1.350 178.247 176.600 0.496 0.000 0.985 330 E CA 1.953 58.542 56.400 0.316 0.000 0.814 330 E CB -0.169 29.648 29.700 0.195 0.000 0.752 330 E HN 0.658 nan 8.360 nan 0.000 0.466 331 S N -1.532 114.345 115.700 0.294 0.000 2.478 331 S HA 0.345 4.815 4.470 0.000 0.000 0.222 331 S C 1.103 175.741 174.600 0.064 0.000 1.008 331 S CA 0.277 58.602 58.200 0.208 0.000 0.928 331 S CB 0.697 63.925 63.200 0.047 0.000 0.781 331 S HN 0.312 nan 8.310 nan 0.000 0.518 332 G N -0.238 108.454 108.800 -0.180 0.000 2.566 332 G HA2 0.406 4.366 3.960 0.000 0.000 0.138 332 G HA3 0.406 4.366 3.960 0.000 0.000 0.138 332 G C -1.571 172.922 174.900 -0.678 0.000 1.133 332 G CA -0.108 44.423 45.100 -0.949 0.000 1.037 332 G HN 0.294 nan 8.290 nan 0.000 0.491 333 T N -0.181 114.007 114.554 -0.610 0.000 2.971 333 T HA 0.615 4.965 4.350 0.000 0.000 0.304 333 T C -1.496 172.871 174.700 -0.556 0.000 1.038 333 T CA -0.237 61.595 62.100 -0.445 0.000 1.007 333 T CB 1.964 70.710 68.868 -0.204 0.000 1.055 333 T HN 1.293 nan 8.240 nan 0.000 0.451 334 V N 2.495 122.155 119.914 -0.423 0.000 2.487 334 V HA 0.938 5.058 4.120 0.000 0.000 0.298 334 V C -1.096 174.767 176.094 -0.383 0.000 1.028 334 V CA -0.370 61.654 62.300 -0.460 0.000 0.860 334 V CB 1.009 32.639 31.823 -0.320 0.000 0.991 334 V HN 1.207 nan 8.190 nan 0.000 0.427 335 A N 4.833 127.376 122.820 -0.462 0.000 2.574 335 A HA 0.985 5.305 4.320 0.000 0.000 0.297 335 A C -0.609 176.752 177.584 -0.372 0.000 1.062 335 A CA 0.012 51.739 52.037 -0.517 0.000 0.686 335 A CB 2.214 20.652 19.000 -0.937 0.000 1.285 335 A HN 1.813 nan 8.150 nan 0.000 0.403 336 S N 0.050 115.660 115.700 -0.149 0.000 2.570 336 S HA 0.901 5.371 4.470 0.000 0.000 0.270 336 S C -0.590 174.238 174.600 0.379 0.000 1.149 336 S CA 0.104 58.456 58.200 0.255 0.000 0.837 336 S CB 1.451 64.810 63.200 0.265 0.000 1.124 336 S HN 2.262 nan 8.310 nan 0.000 0.465 337 S N 0.291 116.248 115.700 0.430 0.000 2.569 337 S HA 0.861 5.331 4.470 0.000 0.000 0.280 337 S C -0.963 173.743 174.600 0.176 0.000 1.111 337 S CA -0.699 57.672 58.200 0.285 0.000 0.887 337 S CB 1.715 65.057 63.200 0.237 0.000 1.095 337 S HN 1.189 nan 8.310 nan 0.000 0.476 338 S N 1.190 116.971 115.700 0.134 0.000 2.677 338 S HA 0.722 5.192 4.470 0.000 0.000 0.283 338 S C -0.793 173.868 174.600 0.102 0.000 1.159 338 S CA -0.397 57.881 58.200 0.129 0.000 1.001 338 S CB 1.186 64.475 63.200 0.148 0.000 1.032 338 S HN 1.216 nan 8.310 nan 0.000 0.487 339 T N 1.799 116.407 114.554 0.089 0.000 2.823 339 T HA 0.887 5.237 4.350 0.000 0.000 0.279 339 T C -0.329 174.429 174.700 0.096 0.000 0.998 339 T CA -0.677 61.469 62.100 0.076 0.000 0.994 339 T CB 1.547 70.438 68.868 0.038 0.000 0.960 339 T HN 0.823 nan 8.240 nan 0.000 0.448 340 A N 2.395 125.272 122.820 0.095 0.000 2.454 340 A HA 0.804 5.124 4.320 0.000 0.000 0.302 340 A C -1.006 176.623 177.584 0.075 0.000 1.079 340 A CA -0.846 51.242 52.037 0.086 0.000 0.731 340 A CB 2.012 21.062 19.000 0.084 0.000 1.299 340 A HN 0.920 nan 8.150 nan 0.000 0.413 341 V N 3.368 123.313 119.914 0.051 0.000 2.443 341 V HA 0.356 4.476 4.120 0.000 0.000 0.293 341 V C -0.853 175.224 176.094 -0.027 0.000 1.021 341 V CA -0.420 61.898 62.300 0.030 0.000 0.848 341 V CB 1.465 33.307 31.823 0.031 0.000 0.998 341 V HN 0.697 nan 8.190 nan 0.000 0.424 342 I N 6.123 126.659 120.570 -0.056 0.000 2.312 342 I HA 0.527 4.697 4.170 0.000 0.000 0.290 342 I C 0.100 176.070 176.117 -0.245 0.000 1.008 342 I CA -0.193 61.020 61.300 -0.145 0.000 1.226 342 I CB 1.139 39.062 38.000 -0.129 0.000 1.371 342 I HN 0.244 nan 8.210 nan 0.000 0.468 352 I N 6.857 127.399 120.570 -0.048 0.000 2.437 352 I HA 0.352 4.522 4.170 0.000 0.000 0.279 352 I C 0.048 176.129 176.117 -0.061 0.000 1.028 352 I CA -0.833 60.435 61.300 -0.054 0.000 1.142 352 I CB 0.949 38.909 38.000 -0.067 0.000 1.266 352 I HN 0.401 nan 8.210 nan 0.000 0.461 353 I N 4.489 125.023 120.570 -0.059 0.000 2.312 353 I HA 0.484 4.654 4.170 0.000 0.000 0.290 353 I C -0.265 175.810 176.117 -0.069 0.000 1.008 353 I CA -0.380 60.891 61.300 -0.048 0.000 1.226 353 I CB 1.098 39.084 38.000 -0.024 0.000 1.371 353 I HN 0.427 nan 8.210 nan 0.000 0.468 354 I N 6.897 127.422 120.570 -0.076 0.000 2.206 354 I HA 0.087 4.257 4.170 0.000 0.000 0.292 354 I C 0.025 176.159 176.117 0.029 0.000 1.156 354 I CA 0.035 61.287 61.300 -0.081 0.000 1.356 354 I CB -0.214 37.639 38.000 -0.244 0.000 1.494 354 I HN 0.665 nan 8.210 nan 0.000 0.601 355 D N 4.495 124.866 120.400 -0.048 0.000 2.525 355 D HA 0.075 4.715 4.640 0.000 0.000 0.229 355 D C 0.405 176.317 176.300 -0.646 0.000 1.202 355 D CA -0.444 53.486 54.000 -0.116 0.000 0.828 355 D CB 0.313 41.130 40.800 0.027 0.000 1.008 355 D HN 0.272 nan 8.370 nan 0.000 0.493 356 R N -1.289 118.851 120.500 -0.600 0.000 2.817 356 R HA 0.580 4.920 4.340 0.000 0.000 0.268 356 R C -3.427 172.811 176.300 -0.104 0.000 1.027 356 R CA -1.924 53.796 56.100 -0.633 0.000 0.928 356 R CB -0.611 29.525 30.300 -0.274 0.000 1.228 356 R HN -0.291 nan 8.270 nan 0.000 0.469 357 P HA 0.105 nan 4.420 nan 0.000 0.266 357 P C -0.962 176.573 177.300 0.392 0.000 1.193 357 P CA 0.311 63.631 63.100 0.366 0.000 0.770 357 P CB 0.048 31.868 31.700 0.201 0.000 0.836 358 F N 0.819 120.916 119.950 0.246 0.000 2.685 358 F HA 0.711 5.238 4.527 0.000 0.000 0.315 358 F C -1.768 174.167 175.800 0.226 0.000 1.126 358 F CA -1.729 56.409 58.000 0.229 0.000 0.950 358 F CB 0.686 39.819 39.000 0.222 0.000 1.360 358 F HN 0.114 nan 8.300 nan 0.000 0.469 359 L N 2.850 124.315 121.223 0.404 0.000 2.334 359 L HA 0.789 5.129 4.340 0.000 0.000 0.275 359 L C -1.144 176.003 176.870 0.461 0.000 1.036 359 L CA -0.700 54.290 54.840 0.251 0.000 0.807 359 L CB 1.437 43.626 42.059 0.217 0.000 1.231 359 L HN 0.699 nan 8.230 nan 0.000 0.438 360 F N 3.099 123.203 119.950 0.256 0.000 2.576 360 F HA 0.873 5.399 4.527 -0.000 0.000 0.313 360 F C -1.485 174.480 175.800 0.275 0.000 1.078 360 F CA -1.141 57.074 58.000 0.357 0.000 0.921 360 F CB 1.511 40.789 39.000 0.463 0.000 1.232 360 F HN 0.174 nan 8.300 nan 0.000 0.459 361 V N 3.286 123.496 119.914 0.493 0.000 2.569 361 V HA 0.398 4.518 4.120 0.000 0.000 0.301 361 V C -0.835 175.565 176.094 0.511 0.000 1.044 361 V CA -0.855 61.650 62.300 0.341 0.000 0.874 361 V CB 1.615 33.563 31.823 0.209 0.000 1.002 361 V HN 0.805 nan 8.190 nan 0.000 0.424 362 V N 5.614 125.793 119.914 0.442 0.000 2.348 362 V HA 0.497 4.617 4.120 0.000 0.000 0.270 362 V C 0.264 176.490 176.094 0.219 0.000 1.037 362 V CA -0.303 62.221 62.300 0.373 0.000 0.872 362 V CB 0.955 32.949 31.823 0.284 0.000 1.002 362 V HN 0.822 nan 8.190 nan 0.000 0.464 363 R N 2.597 123.272 120.500 0.292 0.000 2.670 363 R HA 0.398 4.738 4.340 0.000 0.000 0.289 363 R C -0.598 175.833 176.300 0.218 0.000 0.965 363 R CA -0.747 55.485 56.100 0.221 0.000 0.899 363 R CB 1.311 31.772 30.300 0.268 0.000 1.173 363 R HN 0.841 nan 8.270 nan 0.000 0.456 364 H N 4.854 123.955 119.070 0.052 0.000 2.690 364 H HA 0.144 4.700 4.556 0.000 0.000 0.289 364 H C -0.216 175.176 175.328 0.105 0.000 1.089 364 H CA -0.244 55.843 56.048 0.063 0.000 1.299 364 H CB 0.882 30.638 29.762 -0.010 0.000 1.405 364 H HN 0.645 nan 8.280 nan 0.000 0.463 365 N N 5.073 123.686 118.700 -0.144 0.000 2.270 365 N HA -0.066 4.674 4.740 0.000 0.000 0.181 365 N C -1.167 174.290 175.510 -0.089 0.000 1.016 365 N CA 0.370 53.401 53.050 -0.032 0.000 0.870 365 N CB -0.761 37.769 38.487 0.072 0.000 0.979 365 N HN 0.585 nan 8.380 nan 0.000 0.431 366 P HA -0.026 nan 4.420 nan 0.000 0.222 366 P C 1.304 178.649 177.300 0.075 0.000 1.147 366 P CA 1.373 64.434 63.100 -0.064 0.000 0.790 366 P CB 0.028 31.710 31.700 -0.030 0.000 0.780 367 T N -6.892 107.757 114.554 0.158 0.000 2.978 367 T HA 0.366 4.716 4.350 0.000 0.000 0.248 367 T C 1.519 176.299 174.700 0.135 0.000 1.018 367 T CA 0.550 62.779 62.100 0.216 0.000 1.026 367 T CB -0.355 68.713 68.868 0.332 0.000 1.032 367 T HN 0.139 nan 8.240 nan 0.000 0.485 368 G N 1.631 110.504 108.800 0.122 0.000 2.132 368 G HA2 -0.211 3.749 3.960 0.000 0.000 0.234 368 G HA3 -0.211 3.749 3.960 0.000 0.000 0.234 368 G C 0.045 174.984 174.900 0.065 0.000 0.989 368 G CA 0.057 45.204 45.100 0.077 0.000 0.676 368 G HN 0.718 nan 8.290 nan 0.000 0.522 369 T N 0.929 115.542 114.554 0.099 0.000 2.761 369 T HA 0.446 4.796 4.350 0.000 0.000 0.296 369 T C 0.613 175.318 174.700 0.008 0.000 0.934 369 T CA -0.184 61.939 62.100 0.039 0.000 1.091 369 T CB 2.136 70.971 68.868 -0.056 0.000 0.896 369 T HN 0.414 nan 8.240 nan 0.000 0.515 370 V N 6.353 126.264 119.914 -0.004 0.000 2.353 370 V HA 0.150 4.270 4.120 0.000 0.000 0.264 370 V C 1.269 177.316 176.094 -0.077 0.000 1.049 370 V CA -0.087 62.196 62.300 -0.028 0.000 0.896 370 V CB 0.185 31.981 31.823 -0.046 0.000 1.025 370 V HN 0.865 nan 8.190 nan 0.000 0.475 371 L N 4.389 125.522 121.223 -0.150 0.000 2.095 371 L HA 0.239 4.579 4.340 0.000 0.000 0.204 371 L C 0.126 176.573 176.870 -0.704 0.000 1.080 371 L CA 1.506 56.108 54.840 -0.397 0.000 0.759 371 L CB 0.006 41.844 42.059 -0.367 0.000 0.914 371 L HN 0.423 nan 8.230 nan 0.000 0.439 372 F N -0.879 119.073 119.950 0.002 0.000 2.631 372 F HA 0.570 5.097 4.527 -0.000 0.000 0.308 372 F C -0.139 175.671 175.800 0.016 0.000 1.097 372 F CA -0.903 57.132 58.000 0.058 0.000 0.952 372 F CB 1.918 41.025 39.000 0.179 0.000 1.307 372 F HN -0.218 nan 8.300 nan 0.000 0.450 373 M N 1.106 120.729 119.600 0.038 0.000 2.682 373 M HA 0.971 5.451 4.480 0.000 0.000 0.272 373 M C -1.201 174.578 176.300 -0.869 0.000 1.232 373 M CA -0.536 54.470 55.300 -0.490 0.000 0.849 373 M CB 2.573 34.837 32.600 -0.560 0.000 1.695 373 M HN 0.816 nan 8.290 nan 0.000 0.481 374 G N 0.954 108.885 108.800 -1.448 0.000 2.356 374 G HA2 0.460 4.420 3.960 0.000 0.000 0.294 374 G HA3 0.460 4.420 3.960 0.000 0.000 0.294 374 G C -2.577 172.018 174.900 -0.508 0.000 1.423 374 G CA -0.762 43.859 45.100 -0.799 0.000 0.806 374 G HN 1.058 nan 8.290 nan 0.000 0.527 375 Q N -0.412 119.387 119.800 -0.002 0.000 2.316 375 Q HA 0.673 5.014 4.340 0.000 0.000 0.264 375 Q C -1.241 174.689 176.000 -0.117 0.000 0.987 375 Q CA -0.963 54.824 55.803 -0.026 0.000 0.852 375 Q CB 2.655 31.443 28.738 0.082 0.000 1.287 375 Q HN 0.319 nan 8.270 nan 0.000 0.448 376 V N 5.111 124.780 119.914 -0.409 0.000 2.288 376 V HA 0.077 4.197 4.120 0.000 0.000 0.266 376 V C 0.678 176.613 176.094 -0.266 0.000 1.048 376 V CA -0.424 61.543 62.300 -0.555 0.000 0.842 376 V CB 0.599 31.634 31.823 -1.313 0.000 1.064 376 V HN 0.942 nan 8.190 nan 0.000 0.472 377 M N 1.928 121.473 119.600 -0.092 0.000 2.334 377 M HA 0.205 4.685 4.480 0.000 0.000 0.266 377 M C 0.797 177.167 176.300 0.117 0.000 1.082 377 M CA 0.910 56.248 55.300 0.063 0.000 1.141 377 M CB -0.282 32.345 32.600 0.045 0.000 1.380 377 M HN 0.689 nan 8.290 nan 0.000 0.440 378 E N 0.751 120.901 120.200 -0.082 0.000 2.334 378 E HA 0.326 4.676 4.350 0.000 0.000 0.280 378 E C -2.561 173.860 176.600 -0.299 0.000 0.899 378 E CA -1.512 54.767 56.400 -0.202 0.000 0.813 378 E CB 2.340 32.014 29.700 -0.042 0.000 1.318 378 E HN -0.048 nan 8.360 nan 0.000 0.399 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.934 63.100 -0.277 0.000 0.800 379 P CB 0.000 31.497 31.700 -0.339 0.000 0.726