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 1pfo_1_A DATA FIRST_RESID 30 DATA SEQUENCE DITDKNQSID SGISSLSYNR NEVLASNGDK IESFVPKEGK KAGNKFIVVE DATA SEQUENCE RQKRSLTTSP VDISIIDSVN DRTYPGALQL ADKALVENRP TILMVKRKPI DATA SEQUENCE NINIDLPGLK GENSIKVDDP TYGKVSGAID ELVSKWNEKY SSTHTLPART DATA SEQUENCE QYSESMVYSK SQISSALNVN AKVLENSLGV DFNAVANNEK KVMILAYKQI DATA SEQUENCE FYTVSADLPK NPSDLFDDSV TFNDLKQKGV SNEAPPLMVS NVAYGRTIYV DATA SEQUENCE KLETTSSSKD VQAAFKALIK NTDIKNSQQY KDIYENSSFT AVVLGGDAQE DATA SEQUENCE HNKVVTKDFD EIRKVIKDNA TFSTKNPAYP ISYTSVFLKD NSVAAVHNKT DATA SEQUENCE DYIETTSTEY SKGKINLDHS GAYVAQFEVA WDEVSYDKEG NEVLTHKTWD DATA SEQUENCE GNYQDKTAHY STVIPLEANA RNIRIKAREC TGLAWEWWRD VISEYDVPLT DATA SEQUENCE NNINVSIWGT TLYPGSSITY N 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 30 D HA 0.000 nan 4.640 nan 0.000 0.175 30 D C 0.000 176.326 176.300 0.044 0.000 2.045 30 D CA 0.000 54.030 54.000 0.050 0.000 0.868 30 D CB 0.000 40.819 40.800 0.032 0.000 0.688 31 I N -0.476 120.127 120.570 0.055 0.000 3.520 31 I HA -0.079 4.091 4.170 -0.000 0.000 0.204 31 I C 1.851 177.989 176.117 0.036 0.000 1.391 31 I CA 0.561 61.886 61.300 0.042 0.000 0.970 31 I CB -0.049 37.980 38.000 0.049 0.000 1.599 31 I HN -0.068 nan 8.210 nan 0.000 0.908 32 T N 0.340 114.912 114.554 0.030 0.000 3.380 32 T HA 0.039 4.389 4.350 -0.000 0.000 0.250 32 T C 0.388 175.106 174.700 0.030 0.000 1.082 32 T CA 0.399 62.513 62.100 0.024 0.000 0.968 32 T CB -0.651 68.228 68.868 0.018 0.000 1.027 32 T HN 0.464 nan 8.240 nan 0.000 0.575 33 D N 1.509 121.934 120.400 0.043 0.000 2.389 33 D HA 0.098 4.738 4.640 -0.000 0.000 0.206 33 D C 1.140 177.467 176.300 0.045 0.000 1.055 33 D CA 0.088 54.121 54.000 0.055 0.000 0.856 33 D CB 0.265 41.122 40.800 0.095 0.000 0.957 33 D HN 0.370 nan 8.370 nan 0.000 0.509 34 K N -0.840 119.579 120.400 0.031 0.000 3.426 34 K HA -0.200 4.120 4.320 -0.000 0.000 0.315 34 K C -0.327 176.266 176.600 -0.012 0.000 1.293 34 K CA 0.848 57.141 56.287 0.010 0.000 0.955 34 K CB -2.051 30.450 32.500 0.002 0.000 1.238 34 K HN 0.024 nan 8.250 nan 0.000 0.441 35 N N 1.965 120.665 118.700 0.000 0.000 2.816 35 N HA 0.118 4.858 4.740 -0.000 0.000 0.236 35 N C -0.825 174.653 175.510 -0.054 0.000 1.076 35 N CA -0.255 52.735 53.050 -0.100 0.000 0.902 35 N CB 1.158 39.575 38.487 -0.117 0.000 1.149 35 N HN 0.354 nan 8.380 nan 0.000 0.506 36 Q N 0.168 119.930 119.800 -0.062 0.000 2.506 36 Q HA 0.254 4.594 4.340 -0.000 0.000 0.380 36 Q C -0.797 175.190 176.000 -0.021 0.000 0.867 36 Q CA -0.580 55.225 55.803 0.003 0.000 1.093 36 Q CB 0.520 29.270 28.738 0.021 0.000 1.388 36 Q HN 0.401 nan 8.270 nan 0.000 0.400 37 S N -1.324 114.331 115.700 -0.076 0.000 2.584 37 S HA 0.247 4.716 4.470 -0.000 0.000 0.282 37 S C 0.192 174.724 174.600 -0.113 0.000 1.138 37 S CA -0.726 57.440 58.200 -0.056 0.000 0.987 37 S CB 0.650 63.816 63.200 -0.058 0.000 1.137 37 S HN 0.401 nan 8.310 nan 0.000 0.457 38 I N 1.910 122.471 120.570 -0.015 0.000 2.227 38 I HA -0.291 3.879 4.170 -0.000 0.000 0.250 38 I C 1.594 177.689 176.117 -0.036 0.000 1.087 38 I CA 2.167 63.478 61.300 0.017 0.000 1.352 38 I CB -0.005 38.012 38.000 0.029 0.000 1.043 38 I HN 0.778 nan 8.210 nan 0.000 0.425 39 D N -0.670 119.720 120.400 -0.017 0.000 2.097 39 D HA -0.172 4.467 4.640 -0.000 0.000 0.197 39 D C 2.298 178.540 176.300 -0.096 0.000 0.984 39 D CA 1.633 55.626 54.000 -0.011 0.000 0.826 39 D CB -0.321 40.486 40.800 0.011 0.000 0.973 39 D HN 0.330 nan 8.370 nan 0.000 0.460 40 S N -0.260 115.344 115.700 -0.161 0.000 2.395 40 S HA -0.015 4.454 4.470 -0.000 0.000 0.225 40 S C 2.087 176.457 174.600 -0.384 0.000 1.027 40 S CA 1.400 59.480 58.200 -0.201 0.000 0.965 40 S CB -0.412 62.689 63.200 -0.165 0.000 0.812 40 S HN 0.278 nan 8.310 nan 0.000 0.482 41 G N 1.426 109.795 108.800 -0.719 0.000 2.440 41 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 41 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 41 G C 1.414 175.688 174.900 -1.043 0.000 1.154 41 G CA 0.952 44.954 45.100 -1.831 0.000 0.767 41 G HN 0.558 nan 8.290 nan 0.000 0.552 42 I N 1.300 121.645 120.570 -0.375 0.000 2.406 42 I HA -0.116 4.054 4.170 -0.000 0.000 0.249 42 I C 3.101 179.235 176.117 0.027 0.000 1.122 42 I CA 1.264 62.593 61.300 0.050 0.000 1.431 42 I CB 0.020 38.119 38.000 0.166 0.000 1.087 42 I HN 0.340 nan 8.210 nan 0.000 0.424 43 S N -0.995 114.673 115.700 -0.054 0.000 2.406 43 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 43 S C 1.845 176.403 174.600 -0.069 0.000 1.020 43 S CA 1.069 59.240 58.200 -0.049 0.000 0.965 43 S CB -0.291 62.875 63.200 -0.056 0.000 0.798 43 S HN 0.238 nan 8.310 nan 0.000 0.488 44 S N 1.119 116.762 115.700 -0.094 0.000 2.650 44 S HA 0.394 4.864 4.470 -0.000 0.000 0.219 44 S C 0.390 174.980 174.600 -0.016 0.000 0.960 44 S CA -0.271 57.886 58.200 -0.071 0.000 0.925 44 S CB -0.478 62.666 63.200 -0.095 0.000 0.775 44 S HN 0.439 nan 8.310 nan 0.000 0.525 45 L N 2.413 123.654 121.223 0.029 0.000 2.417 45 L HA 0.265 4.605 4.340 -0.000 0.000 0.268 45 L C 0.381 177.257 176.870 0.009 0.000 1.158 45 L CA -0.334 54.584 54.840 0.129 0.000 0.819 45 L CB 0.795 43.042 42.059 0.313 0.000 1.112 45 L HN 0.137 nan 8.230 nan 0.000 0.458 46 S N 2.255 117.990 115.700 0.057 0.000 2.707 46 S HA 0.672 5.142 4.470 -0.000 0.000 0.312 46 S C -1.000 173.633 174.600 0.056 0.000 1.116 46 S CA -0.718 57.451 58.200 -0.052 0.000 1.078 46 S CB 0.962 64.147 63.200 -0.024 0.000 0.997 46 S HN 0.524 nan 8.310 nan 0.000 0.477 47 Y N -0.462 119.812 120.300 -0.043 0.000 2.581 47 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 47 Y C -1.051 174.789 175.900 -0.100 0.000 1.108 47 Y CA -1.361 56.708 58.100 -0.052 0.000 1.033 47 Y CB 0.813 39.255 38.460 -0.031 0.000 1.318 47 Y HN 0.498 nan 8.280 nan 0.000 0.459 48 N N 2.612 121.395 118.700 0.139 0.000 2.415 48 N HA 0.129 4.869 4.740 -0.000 0.000 0.246 48 N C 0.905 176.465 175.510 0.084 0.000 1.078 48 N CA -0.209 52.862 53.050 0.036 0.000 0.942 48 N CB 0.990 39.485 38.487 0.014 0.000 1.140 48 N HN 0.983 nan 8.380 nan 0.000 0.501 49 R N 2.900 123.386 120.500 -0.024 0.000 2.152 49 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 49 R C 0.453 176.809 176.300 0.093 0.000 1.117 49 R CA 1.142 57.164 56.100 -0.130 0.000 0.981 49 R CB -0.006 30.029 30.300 -0.441 0.000 0.870 49 R HN 0.350 nan 8.270 nan 0.000 0.451 50 N N 0.548 119.258 118.700 0.016 0.000 2.398 50 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 50 N C 0.158 175.581 175.510 -0.146 0.000 1.122 50 N CA 0.630 53.627 53.050 -0.088 0.000 0.866 50 N CB 0.615 38.967 38.487 -0.225 0.000 0.970 50 N HN 0.543 nan 8.380 nan 0.000 0.462 51 E N -0.605 119.592 120.200 -0.006 0.000 2.606 51 E HA 0.020 4.370 4.350 -0.000 0.000 0.224 51 E C 1.734 178.374 176.600 0.067 0.000 0.930 51 E CA -0.005 56.400 56.400 0.008 0.000 1.125 51 E CB 0.637 30.332 29.700 -0.008 0.000 1.123 51 E HN 0.089 nan 8.360 nan 0.000 0.522 52 V N -0.904 119.079 119.914 0.114 0.000 2.591 52 V HA -0.016 4.103 4.120 -0.000 0.000 0.249 52 V C 1.647 177.805 176.094 0.107 0.000 1.053 52 V CA 1.134 63.498 62.300 0.107 0.000 1.068 52 V CB -0.333 31.558 31.823 0.114 0.000 0.689 52 V HN 0.166 nan 8.190 nan 0.000 0.462 53 L N 0.721 122.037 121.223 0.154 0.000 2.769 53 L HA 0.612 4.952 4.340 -0.000 0.000 0.240 53 L C 1.114 178.053 176.870 0.115 0.000 1.163 53 L CA 0.149 55.057 54.840 0.113 0.000 0.962 53 L CB 0.020 42.141 42.059 0.104 0.000 1.258 53 L HN 0.335 nan 8.230 nan 0.000 0.513 54 A N 0.476 123.376 122.820 0.134 0.000 2.316 54 A HA 0.617 4.936 4.320 -0.000 0.000 0.284 54 A C 0.219 177.848 177.584 0.074 0.000 1.115 54 A CA -0.145 51.973 52.037 0.135 0.000 0.812 54 A CB 0.565 19.649 19.000 0.140 0.000 1.064 54 A HN 0.236 nan 8.150 nan 0.000 0.489 55 S N 1.507 117.246 115.700 0.064 0.000 2.619 55 S HA 0.469 4.939 4.470 -0.000 0.000 0.280 55 S C -1.091 173.531 174.600 0.036 0.000 1.150 55 S CA -0.899 57.323 58.200 0.037 0.000 0.978 55 S CB 1.277 64.490 63.200 0.020 0.000 1.041 55 S HN 0.670 nan 8.310 nan 0.000 0.485 56 N N 2.464 121.182 118.700 0.029 0.000 2.457 56 N HA 0.448 5.188 4.740 -0.000 0.000 0.250 56 N C 0.478 176.000 175.510 0.019 0.000 0.982 56 N CA -0.021 53.047 53.050 0.029 0.000 0.941 56 N CB 1.245 39.748 38.487 0.027 0.000 1.120 56 N HN 0.932 nan 8.380 nan 0.000 0.505 57 G N 1.647 110.458 108.800 0.019 0.000 2.653 57 G HA2 0.074 4.034 3.960 -0.000 0.000 0.265 57 G HA3 0.074 4.034 3.960 -0.000 0.000 0.265 57 G C -0.709 174.202 174.900 0.017 0.000 1.237 57 G CA -0.558 44.547 45.100 0.009 0.000 0.946 57 G HN 0.779 nan 8.290 nan 0.000 0.522 58 D N -1.110 119.297 120.400 0.010 0.000 2.923 58 D HA -0.043 4.597 4.640 -0.000 0.000 0.220 58 D C 0.302 176.624 176.300 0.037 0.000 1.099 58 D CA 0.512 54.524 54.000 0.020 0.000 0.807 58 D CB 0.240 41.051 40.800 0.019 0.000 1.155 58 D HN 0.529 nan 8.370 nan 0.000 0.524 59 K N 2.284 122.702 120.400 0.031 0.000 2.389 59 K HA 0.536 4.856 4.320 -0.000 0.000 0.261 59 K C -1.487 175.132 176.600 0.032 0.000 1.014 59 K CA -0.833 55.473 56.287 0.032 0.000 0.920 59 K CB 0.529 33.043 32.500 0.023 0.000 1.149 59 K HN 0.455 nan 8.250 nan 0.000 0.444 60 I N 2.025 122.620 120.570 0.042 0.000 3.174 60 I HA 0.216 4.386 4.170 -0.000 0.000 0.313 60 I C 0.293 176.441 176.117 0.052 0.000 1.155 60 I CA -0.337 60.990 61.300 0.045 0.000 0.977 60 I CB 2.455 40.488 38.000 0.056 0.000 1.248 60 I HN 0.859 nan 8.210 nan 0.000 0.453 61 E N 0.822 121.046 120.200 0.040 0.000 2.639 61 E HA 0.201 4.551 4.350 -0.000 0.000 0.225 61 E C -0.964 175.615 176.600 -0.035 0.000 0.921 61 E CA 0.079 56.485 56.400 0.010 0.000 1.184 61 E CB 0.633 30.320 29.700 -0.022 0.000 1.160 61 E HN 0.561 nan 8.360 nan 0.000 0.547 62 S N 0.897 116.604 115.700 0.011 0.000 2.449 62 S HA 0.692 5.162 4.470 -0.000 0.000 0.310 62 S C -0.507 174.139 174.600 0.076 0.000 1.096 62 S CA -0.810 57.367 58.200 -0.039 0.000 1.095 62 S CB 0.752 63.943 63.200 -0.016 0.000 1.007 62 S HN 0.313 nan 8.310 nan 0.000 0.474 63 F N -0.930 119.018 119.950 -0.004 0.000 2.807 63 F HA 0.715 5.242 4.527 -0.000 0.000 0.316 63 F C -1.990 173.806 175.800 -0.006 0.000 1.162 63 F CA -1.570 56.427 58.000 -0.004 0.000 0.910 63 F CB 0.394 39.388 39.000 -0.010 0.000 1.314 63 F HN 0.350 nan 8.300 nan 0.000 0.454 64 V N 2.797 122.955 119.914 0.407 0.000 2.439 64 V HA 0.359 4.479 4.120 -0.000 0.000 0.282 64 V C -1.544 174.785 176.094 0.391 0.000 1.039 64 V CA -1.377 61.081 62.300 0.262 0.000 0.913 64 V CB 1.338 33.245 31.823 0.140 0.000 0.983 64 V HN 0.789 nan 8.190 nan 0.000 0.460 65 P HA -0.063 nan 4.420 nan 0.000 0.215 65 P C 0.221 177.551 177.300 0.050 0.000 1.157 65 P CA 1.081 64.322 63.100 0.236 0.000 0.863 65 P CB 0.645 32.447 31.700 0.170 0.000 0.787 66 K N -0.868 119.531 120.400 -0.001 0.000 2.385 66 K HA 0.444 4.764 4.320 -0.000 0.000 0.248 66 K C -0.993 175.504 176.600 -0.172 0.000 0.955 66 K CA -0.700 55.492 56.287 -0.160 0.000 0.816 66 K CB 2.299 34.642 32.500 -0.261 0.000 1.250 66 K HN -0.181 nan 8.250 nan 0.000 0.434 67 E N 0.888 120.909 120.200 -0.298 0.000 2.372 67 E HA 0.460 4.810 4.350 -0.000 0.000 0.279 67 E C -1.572 174.902 176.600 -0.211 0.000 0.946 67 E CA -1.009 55.299 56.400 -0.153 0.000 0.769 67 E CB 1.857 31.518 29.700 -0.064 0.000 1.230 67 E HN 0.706 nan 8.360 nan 0.000 0.442 68 G N 2.835 111.666 108.800 0.051 0.000 2.478 68 G HA2 0.501 4.461 3.960 -0.000 0.000 0.317 68 G HA3 0.501 4.461 3.960 -0.000 0.000 0.317 68 G C -1.351 173.549 174.900 0.001 0.000 1.259 68 G CA -0.469 44.631 45.100 -0.000 0.000 0.933 68 G HN 0.349 nan 8.290 nan 0.000 0.478 69 K N 2.072 122.343 120.400 -0.216 0.000 2.443 69 K HA 0.440 4.760 4.320 -0.000 0.000 0.252 69 K C -0.528 176.109 176.600 0.061 0.000 0.933 69 K CA -0.764 55.514 56.287 -0.014 0.000 0.792 69 K CB 1.726 34.202 32.500 -0.039 0.000 1.185 69 K HN 0.339 nan 8.250 nan 0.000 0.425 70 K N 1.780 122.291 120.400 0.185 0.000 2.130 70 K HA 0.618 4.938 4.320 -0.000 0.000 0.268 70 K C -1.170 175.501 176.600 0.119 0.000 0.983 70 K CA -0.715 55.702 56.287 0.216 0.000 0.893 70 K CB 1.829 34.464 32.500 0.224 0.000 1.066 70 K HN 0.630 nan 8.250 nan 0.000 0.450 71 A N 2.379 125.262 122.820 0.105 0.000 2.684 71 A HA 0.578 4.898 4.320 -0.000 0.000 0.289 71 A C 0.173 177.795 177.584 0.063 0.000 1.139 71 A CA 0.035 52.112 52.037 0.067 0.000 0.793 71 A CB 0.433 19.459 19.000 0.044 0.000 1.334 71 A HN 0.861 nan 8.150 nan 0.000 0.408 72 G N 2.210 111.045 108.800 0.057 0.000 2.523 72 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.271 72 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.271 72 G C 0.223 175.158 174.900 0.058 0.000 1.146 72 G CA 0.347 45.476 45.100 0.048 0.000 0.961 72 G HN 0.942 nan 8.290 nan 0.000 0.549 73 N N 2.320 121.052 118.700 0.054 0.000 2.451 73 N HA 0.303 5.043 4.740 -0.000 0.000 0.264 73 N C 0.156 175.716 175.510 0.083 0.000 1.167 73 N CA 0.553 53.638 53.050 0.058 0.000 0.898 73 N CB 0.448 38.958 38.487 0.038 0.000 1.176 73 N HN 0.543 nan 8.380 nan 0.000 0.507 74 K N -0.253 120.214 120.400 0.111 0.000 2.433 74 K HA 0.443 4.762 4.320 -0.000 0.000 0.252 74 K C -1.455 175.303 176.600 0.264 0.000 1.015 74 K CA -0.770 55.611 56.287 0.158 0.000 0.860 74 K CB 2.197 34.757 32.500 0.100 0.000 1.359 74 K HN -0.114 nan 8.250 nan 0.000 0.452 75 F N 2.721 122.753 119.950 0.136 0.000 2.579 75 F HA 0.422 4.949 4.527 -0.000 0.000 0.325 75 F C -1.386 174.544 175.800 0.218 0.000 1.162 75 F CA -1.025 57.077 58.000 0.170 0.000 0.946 75 F CB 0.791 39.901 39.000 0.184 0.000 1.211 75 F HN 0.208 nan 8.300 nan 0.000 0.447 76 I N 7.208 127.603 120.570 -0.292 0.000 2.336 76 I HA 0.399 4.569 4.170 -0.000 0.000 0.292 76 I C -0.578 175.255 176.117 -0.472 0.000 0.991 76 I CA -1.007 60.134 61.300 -0.266 0.000 1.227 76 I CB 1.183 39.095 38.000 -0.147 0.000 1.366 76 I HN 0.250 nan 8.210 nan 0.000 0.466 77 V N 7.139 126.884 119.914 -0.283 0.000 2.334 77 V HA 0.374 4.494 4.120 -0.000 0.000 0.281 77 V C 0.194 176.174 176.094 -0.189 0.000 1.016 77 V CA -0.661 61.473 62.300 -0.276 0.000 0.832 77 V CB 1.977 33.752 31.823 -0.080 0.000 0.999 77 V HN 0.469 nan 8.190 nan 0.000 0.439 78 V N 4.773 124.560 119.914 -0.210 0.000 2.472 78 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 78 V C -0.042 175.954 176.094 -0.163 0.000 1.037 78 V CA -0.559 61.651 62.300 -0.150 0.000 0.908 78 V CB 1.920 33.674 31.823 -0.116 0.000 0.985 78 V HN 0.899 nan 8.190 nan 0.000 0.454 79 E N 3.448 123.569 120.200 -0.131 0.000 2.222 79 E HA 0.599 4.949 4.350 -0.000 0.000 0.267 79 E C -0.980 175.525 176.600 -0.159 0.000 0.884 79 E CA -0.813 55.510 56.400 -0.129 0.000 0.764 79 E CB 2.426 32.067 29.700 -0.099 0.000 1.169 79 E HN 0.517 nan 8.360 nan 0.000 0.413 80 R N 2.333 122.711 120.500 -0.204 0.000 2.480 80 R HA 0.341 4.681 4.340 -0.000 0.000 0.306 80 R C -0.571 175.465 176.300 -0.440 0.000 0.958 80 R CA -0.845 55.004 56.100 -0.418 0.000 0.861 80 R CB 1.585 31.453 30.300 -0.721 0.000 1.171 80 R HN 0.379 nan 8.270 nan 0.000 0.445 81 Q N 1.678 121.228 119.800 -0.417 0.000 2.359 81 Q HA 0.363 4.703 4.340 -0.000 0.000 0.275 81 Q C -0.837 174.953 176.000 -0.351 0.000 1.082 81 Q CA -0.746 54.902 55.803 -0.259 0.000 0.849 81 Q CB 2.626 31.245 28.738 -0.198 0.000 1.377 81 Q HN 0.404 nan 8.270 nan 0.000 0.452 82 K N 1.153 121.465 120.400 -0.146 0.000 2.221 82 K HA 0.502 4.822 4.320 -0.000 0.000 0.258 82 K C -0.704 175.734 176.600 -0.270 0.000 0.944 82 K CA -0.469 55.731 56.287 -0.144 0.000 0.823 82 K CB 1.093 33.651 32.500 0.098 0.000 1.113 82 K HN 0.385 nan 8.250 nan 0.000 0.431 83 R N 1.713 121.908 120.500 -0.508 0.000 2.888 83 R HA 0.457 4.797 4.340 -0.000 0.000 0.266 83 R C -1.066 174.963 176.300 -0.452 0.000 1.020 83 R CA -1.101 54.658 56.100 -0.568 0.000 0.963 83 R CB 2.244 31.991 30.300 -0.923 0.000 1.197 83 R HN 0.636 nan 8.270 nan 0.000 0.481 84 S N 1.237 116.822 115.700 -0.191 0.000 2.571 84 S HA 0.471 4.940 4.470 -0.000 0.000 0.284 84 S C -1.339 173.316 174.600 0.091 0.000 1.128 84 S CA -0.661 57.530 58.200 -0.017 0.000 0.970 84 S CB 1.703 64.896 63.200 -0.011 0.000 1.039 84 S HN 0.403 nan 8.310 nan 0.000 0.485 85 L N 3.137 124.464 121.223 0.173 0.000 2.341 85 L HA 0.741 5.081 4.340 -0.000 0.000 0.278 85 L C -0.641 176.285 176.870 0.094 0.000 1.005 85 L CA 0.303 55.236 54.840 0.154 0.000 0.818 85 L CB 1.896 44.077 42.059 0.203 0.000 1.259 85 L HN 0.592 nan 8.230 nan 0.000 0.418 86 T N 3.309 117.905 114.554 0.070 0.000 2.824 86 T HA 0.773 5.123 4.350 -0.000 0.000 0.282 86 T C -0.827 173.899 174.700 0.043 0.000 0.993 86 T CA -0.383 61.753 62.100 0.060 0.000 0.967 86 T CB 1.412 70.316 68.868 0.060 0.000 0.960 86 T HN 0.736 nan 8.240 nan 0.000 0.441 87 T N 1.355 115.928 114.554 0.032 0.000 2.903 87 T HA 0.579 4.929 4.350 -0.000 0.000 0.299 87 T C -0.367 174.300 174.700 -0.055 0.000 1.093 87 T CA -0.836 61.260 62.100 -0.007 0.000 1.002 87 T CB 1.764 70.620 68.868 -0.021 0.000 1.127 87 T HN 0.318 nan 8.240 nan 0.000 0.488 88 S N 2.350 117.979 115.700 -0.117 0.000 2.539 88 S HA 0.326 4.796 4.470 -0.000 0.000 0.185 88 S C -2.656 171.817 174.600 -0.213 0.000 1.181 88 S CA -0.801 57.229 58.200 -0.284 0.000 1.216 88 S CB 0.223 63.252 63.200 -0.284 0.000 1.476 88 S HN 0.544 nan 8.310 nan 0.000 0.395 89 P HA 0.162 nan 4.420 nan 0.000 0.269 89 P C 0.914 178.117 177.300 -0.162 0.000 1.209 89 P CA -0.263 62.755 63.100 -0.136 0.000 0.776 89 P CB 0.802 32.434 31.700 -0.113 0.000 0.876 90 V N -2.138 117.690 119.914 -0.145 0.000 3.635 90 V HA 0.192 4.312 4.120 -0.000 0.000 0.266 90 V C 0.516 176.488 176.094 -0.203 0.000 1.316 90 V CA 0.401 62.605 62.300 -0.160 0.000 1.060 90 V CB -0.647 31.108 31.823 -0.113 0.000 0.820 90 V HN 0.350 nan 8.190 nan 0.000 0.447 91 D N 1.286 121.583 120.400 -0.172 0.000 2.313 91 D HA 0.434 5.074 4.640 -0.000 0.000 0.239 91 D C -0.328 175.853 176.300 -0.198 0.000 1.142 91 D CA -0.237 53.654 54.000 -0.182 0.000 0.847 91 D CB 0.586 41.314 40.800 -0.121 0.000 1.082 91 D HN 0.385 nan 8.370 nan 0.000 0.480 92 I N 2.926 123.316 120.570 -0.299 0.000 2.321 92 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 92 I C 0.526 176.633 176.117 -0.016 0.000 0.998 92 I CA -0.865 60.300 61.300 -0.226 0.000 1.227 92 I CB 1.606 39.338 38.000 -0.447 0.000 1.368 92 I HN 0.315 nan 8.210 nan 0.000 0.466 93 S N 6.577 122.280 115.700 0.006 0.000 2.537 93 S HA 0.342 4.811 4.470 -0.000 0.000 0.286 93 S C -0.194 174.451 174.600 0.073 0.000 1.299 93 S CA -0.234 57.988 58.200 0.035 0.000 1.067 93 S CB 0.088 63.300 63.200 0.020 0.000 0.864 93 S HN 0.363 nan 8.310 nan 0.000 0.494 94 I N 6.280 126.877 120.570 0.045 0.000 2.385 94 I HA 0.197 4.367 4.170 -0.000 0.000 0.294 94 I C 0.881 176.988 176.117 -0.016 0.000 0.988 94 I CA -0.713 60.588 61.300 0.002 0.000 1.265 94 I CB 1.214 39.182 38.000 -0.053 0.000 1.388 94 I HN 0.644 nan 8.210 nan 0.000 0.480 95 I N 2.895 123.447 120.570 -0.031 0.000 2.272 95 I HA -0.055 4.115 4.170 -0.000 0.000 0.235 95 I C 0.798 176.884 176.117 -0.052 0.000 1.071 95 I CA 1.299 62.576 61.300 -0.038 0.000 1.374 95 I CB -0.606 37.370 38.000 -0.041 0.000 1.121 95 I HN 0.534 nan 8.210 nan 0.000 0.420 96 D N 0.996 121.357 120.400 -0.065 0.000 2.563 96 D HA 0.165 4.805 4.640 -0.000 0.000 0.222 96 D C 1.428 177.674 176.300 -0.091 0.000 1.145 96 D CA 0.106 54.058 54.000 -0.080 0.000 1.001 96 D CB 0.502 41.254 40.800 -0.081 0.000 1.049 96 D HN -0.029 nan 8.370 nan 0.000 0.515 97 S N 0.346 115.997 115.700 -0.083 0.000 2.406 97 S HA -0.194 4.275 4.470 -0.000 0.000 0.242 97 S C 1.391 175.920 174.600 -0.118 0.000 1.079 97 S CA 1.371 59.529 58.200 -0.070 0.000 1.133 97 S CB 0.000 63.171 63.200 -0.049 0.000 1.005 97 S HN 0.475 nan 8.310 nan 0.000 0.443 98 V N -0.226 119.537 119.914 -0.251 0.000 2.838 98 V HA 0.543 4.662 4.120 -0.000 0.000 0.356 98 V C 0.019 175.993 176.094 -0.200 0.000 1.302 98 V CA -0.243 61.841 62.300 -0.360 0.000 1.495 98 V CB -0.778 30.675 31.823 -0.617 0.000 1.505 98 V HN 0.391 nan 8.190 nan 0.000 0.574 99 N N 0.018 118.629 118.700 -0.148 0.000 1.890 99 N HA 0.027 4.767 4.740 -0.000 0.000 0.250 99 N C -0.099 175.317 175.510 -0.156 0.000 1.380 99 N CA -0.199 52.766 53.050 -0.142 0.000 0.755 99 N CB 0.340 38.759 38.487 -0.113 0.000 1.203 99 N HN 0.612 nan 8.380 nan 0.000 0.539 100 D N 1.599 121.921 120.400 -0.131 0.000 2.352 100 D HA 0.095 4.735 4.640 -0.000 0.000 0.245 100 D C 0.154 176.366 176.300 -0.146 0.000 1.224 100 D CA -0.107 53.816 54.000 -0.128 0.000 0.879 100 D CB 0.538 41.274 40.800 -0.106 0.000 1.057 100 D HN -0.034 nan 8.370 nan 0.000 0.491 101 R N 3.617 123.980 120.500 -0.228 0.000 4.031 101 R HA 0.132 4.472 4.340 -0.000 0.000 0.269 101 R C -0.209 176.163 176.300 0.119 0.000 1.668 101 R CA -0.220 55.651 56.100 -0.383 0.000 1.432 101 R CB -0.194 29.724 30.300 -0.637 0.000 1.374 101 R HN 0.419 nan 8.270 nan 0.000 0.681 102 T N 2.111 116.730 114.554 0.108 0.000 2.832 102 T HA 0.331 4.681 4.350 -0.000 0.000 0.296 102 T C -0.350 174.532 174.700 0.302 0.000 0.968 102 T CA 0.032 62.156 62.100 0.040 0.000 1.107 102 T CB 0.376 69.062 68.868 -0.304 0.000 0.916 102 T HN 0.337 nan 8.240 nan 0.000 0.517 103 Y N 1.207 121.569 120.300 0.103 0.000 2.544 103 Y HA 0.622 5.172 4.550 -0.000 0.000 0.342 103 Y C -3.182 172.774 175.900 0.094 0.000 1.062 103 Y CA -3.866 54.317 58.100 0.139 0.000 1.023 103 Y CB 0.382 38.925 38.460 0.137 0.000 1.308 103 Y HN 0.305 nan 8.280 nan 0.000 0.457 104 P HA 0.242 nan 4.420 nan 0.000 0.266 104 P C 0.693 177.981 177.300 -0.020 0.000 1.215 104 P CA 1.615 64.745 63.100 0.050 0.000 0.763 104 P CB 0.752 32.537 31.700 0.142 0.000 0.806 105 G N 1.669 110.387 108.800 -0.137 0.000 2.138 105 G HA2 0.022 3.982 3.960 -0.000 0.000 0.193 105 G HA3 0.022 3.982 3.960 -0.000 0.000 0.193 105 G C 0.207 174.923 174.900 -0.307 0.000 0.998 105 G CA -0.097 44.926 45.100 -0.129 0.000 0.668 105 G HN 0.834 nan 8.290 nan 0.000 0.516 106 A N -0.364 122.102 122.820 -0.591 0.000 2.252 106 A HA 0.909 5.229 4.320 -0.000 0.000 0.305 106 A C 0.208 177.651 177.584 -0.235 0.000 1.097 106 A CA -0.456 51.200 52.037 -0.636 0.000 0.849 106 A CB 0.751 19.194 19.000 -0.928 0.000 1.142 106 A HN 0.867 nan 8.150 nan 0.000 0.499 107 L N 0.690 121.849 121.223 -0.107 0.000 2.322 107 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 107 L C -0.096 176.771 176.870 -0.004 0.000 1.014 107 L CA -0.253 54.578 54.840 -0.016 0.000 0.815 107 L CB 1.457 43.561 42.059 0.076 0.000 1.247 107 L HN 0.801 nan 8.230 nan 0.000 0.421 108 Q N 2.656 122.454 119.800 -0.003 0.000 2.495 108 Q HA 0.654 4.994 4.340 -0.000 0.000 0.287 108 Q C -1.346 174.651 176.000 -0.005 0.000 1.078 108 Q CA -0.949 54.850 55.803 -0.006 0.000 0.793 108 Q CB 3.424 32.156 28.738 -0.010 0.000 1.459 108 Q HN 0.484 nan 8.270 nan 0.000 0.422 109 L N 0.767 121.984 121.223 -0.010 0.000 2.334 109 L HA 0.699 5.039 4.340 -0.000 0.000 0.275 109 L C -0.380 176.466 176.870 -0.040 0.000 1.036 109 L CA -0.875 53.955 54.840 -0.018 0.000 0.807 109 L CB 1.425 43.476 42.059 -0.013 0.000 1.231 109 L HN 0.643 nan 8.230 nan 0.000 0.438 110 A N 2.243 125.029 122.820 -0.056 0.000 2.341 110 A HA 0.599 4.919 4.320 -0.000 0.000 0.326 110 A C -0.970 176.599 177.584 -0.025 0.000 1.402 110 A CA -0.365 51.635 52.037 -0.062 0.000 0.957 110 A CB -0.193 18.765 19.000 -0.071 0.000 1.151 110 A HN 0.799 nan 8.150 nan 0.000 0.533 111 D N 0.741 121.132 120.400 -0.014 0.000 2.946 111 D HA 0.140 4.780 4.640 -0.000 0.000 0.337 111 D C 0.797 177.099 176.300 0.002 0.000 1.332 111 D CA -0.362 53.636 54.000 -0.003 0.000 0.935 111 D CB 0.167 40.962 40.800 -0.008 0.000 1.440 111 D HN 0.184 nan 8.370 nan 0.000 0.540 112 K N -0.122 120.280 120.400 0.003 0.000 2.283 112 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 112 K C 1.492 178.091 176.600 -0.002 0.000 1.048 112 K CA 1.201 57.490 56.287 0.003 0.000 0.948 112 K CB -0.316 32.186 32.500 0.002 0.000 0.742 112 K HN 0.374 nan 8.250 nan 0.000 0.458 113 A N 1.834 124.651 122.820 -0.004 0.000 1.872 113 A HA -0.096 4.223 4.320 -0.000 0.000 0.214 113 A C 2.093 179.676 177.584 -0.002 0.000 1.187 113 A CA 1.073 53.106 52.037 -0.006 0.000 0.614 113 A CB -0.555 18.440 19.000 -0.009 0.000 0.826 113 A HN 0.366 nan 8.150 nan 0.000 0.442 114 L N 0.383 121.607 121.223 0.001 0.000 2.042 114 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 114 L C 2.248 179.127 176.870 0.015 0.000 1.076 114 L CA 2.079 56.929 54.840 0.016 0.000 0.749 114 L CB -0.760 41.303 42.059 0.006 0.000 0.893 114 L HN 0.152 nan 8.230 nan 0.000 0.432 115 V N -0.521 119.395 119.914 0.003 0.000 2.759 115 V HA -0.204 3.916 4.120 -0.000 0.000 0.256 115 V C 2.076 178.167 176.094 -0.004 0.000 1.080 115 V CA 1.565 63.864 62.300 -0.002 0.000 1.101 115 V CB -0.789 31.035 31.823 0.002 0.000 0.698 115 V HN 0.490 nan 8.190 nan 0.000 0.477 116 E N -0.231 119.967 120.200 -0.004 0.000 2.437 116 E HA 0.100 4.449 4.350 -0.000 0.000 0.189 116 E C 0.145 176.739 176.600 -0.009 0.000 1.054 116 E CA -0.076 56.318 56.400 -0.010 0.000 0.874 116 E CB -0.124 29.568 29.700 -0.013 0.000 1.011 116 E HN 0.718 nan 8.360 nan 0.000 0.474 117 N N 0.829 119.531 118.700 0.003 0.000 2.747 117 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 117 N C -0.755 174.749 175.510 -0.010 0.000 1.107 117 N CA 0.939 53.995 53.050 0.009 0.000 0.707 117 N CB -0.880 37.607 38.487 -0.000 0.000 1.054 117 N HN 0.215 nan 8.380 nan 0.000 0.555 118 R N -2.309 118.184 120.500 -0.012 0.000 2.640 118 R HA 0.313 4.653 4.340 -0.000 0.000 0.240 118 R C -3.133 173.153 176.300 -0.023 0.000 1.519 118 R CA -1.294 54.790 56.100 -0.027 0.000 1.570 118 R CB 0.510 30.794 30.300 -0.027 0.000 1.446 118 R HN -0.037 nan 8.270 nan 0.000 0.738 119 P HA 0.042 nan 4.420 nan 0.000 0.269 119 P C -0.544 176.741 177.300 -0.025 0.000 1.215 119 P CA 0.104 63.196 63.100 -0.015 0.000 0.780 119 P CB 1.006 32.707 31.700 0.001 0.000 0.898 120 T N 3.592 118.136 114.554 -0.016 0.000 2.729 120 T HA 0.286 4.635 4.350 -0.000 0.000 0.296 120 T C 0.583 175.279 174.700 -0.007 0.000 0.928 120 T CA -0.220 61.873 62.100 -0.013 0.000 1.045 120 T CB -0.146 68.716 68.868 -0.010 0.000 0.902 120 T HN 0.162 nan 8.240 nan 0.000 0.500 121 I N 3.969 124.538 120.570 -0.002 0.000 2.612 121 I HA 0.370 4.540 4.170 -0.000 0.000 0.295 121 I C 0.127 176.264 176.117 0.034 0.000 1.011 121 I CA -0.668 60.642 61.300 0.016 0.000 1.326 121 I CB 0.891 38.910 38.000 0.032 0.000 1.427 121 I HN 0.469 nan 8.210 nan 0.000 0.537 122 L N 5.536 126.793 121.223 0.057 0.000 2.376 122 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 122 L C -0.495 176.441 176.870 0.110 0.000 0.987 122 L CA -0.331 54.555 54.840 0.076 0.000 0.828 122 L CB 1.575 43.689 42.059 0.092 0.000 1.249 122 L HN 0.425 nan 8.230 nan 0.000 0.409 123 M N 5.070 124.729 119.600 0.098 0.000 2.294 123 M HA 0.800 5.280 4.480 -0.000 0.000 0.335 123 M C -0.585 175.782 176.300 0.112 0.000 1.079 123 M CA -0.904 54.465 55.300 0.115 0.000 0.982 123 M CB 2.290 34.947 32.600 0.094 0.000 1.651 123 M HN 0.455 nan 8.290 nan 0.000 0.437 124 V N -0.627 119.372 119.914 0.140 0.000 3.258 124 V HA 0.532 4.652 4.120 -0.000 0.000 0.299 124 V C -0.956 175.225 176.094 0.144 0.000 1.376 124 V CA -1.347 61.038 62.300 0.142 0.000 1.063 124 V CB 1.901 33.841 31.823 0.196 0.000 1.103 124 V HN 0.853 nan 8.190 nan 0.000 0.451 125 K N 0.967 121.443 120.400 0.126 0.000 2.412 125 K HA 0.438 4.758 4.320 -0.000 0.000 0.281 125 K C -0.226 176.455 176.600 0.135 0.000 1.027 125 K CA -0.070 56.282 56.287 0.109 0.000 0.989 125 K CB 0.546 33.098 32.500 0.087 0.000 0.935 125 K HN 0.690 nan 8.250 nan 0.000 0.475 126 R N 2.372 122.931 120.500 0.098 0.000 2.803 126 R HA 0.284 4.624 4.340 -0.000 0.000 0.276 126 R C -0.608 175.719 176.300 0.045 0.000 0.978 126 R CA -0.940 55.202 56.100 0.070 0.000 0.939 126 R CB 1.288 31.615 30.300 0.045 0.000 1.179 126 R HN 0.432 nan 8.270 nan 0.000 0.472 127 K N 2.123 122.537 120.400 0.023 0.000 2.168 127 K HA 0.275 4.594 4.320 -0.000 0.000 0.258 127 K C -2.253 174.353 176.600 0.010 0.000 1.010 127 K CA -1.717 54.582 56.287 0.020 0.000 0.929 127 K CB 0.398 32.907 32.500 0.014 0.000 0.998 127 K HN 0.375 nan 8.250 nan 0.000 0.479 128 P HA 0.105 nan 4.420 nan 0.000 0.271 128 P C -0.477 176.829 177.300 0.010 0.000 1.233 128 P CA -0.001 63.108 63.100 0.016 0.000 0.795 128 P CB 0.424 32.133 31.700 0.015 0.000 0.936 129 I N 0.429 121.010 120.570 0.018 0.000 2.827 129 I HA 0.318 4.487 4.170 -0.000 0.000 0.298 129 I C -1.201 174.930 176.117 0.024 0.000 1.235 129 I CA -0.635 60.675 61.300 0.017 0.000 1.021 129 I CB 2.031 40.044 38.000 0.022 0.000 1.259 129 I HN 0.168 nan 8.210 nan 0.000 0.427 130 N N 5.859 124.572 118.700 0.021 0.000 2.421 130 N HA 0.637 5.377 4.740 -0.000 0.000 0.285 130 N C -1.277 174.253 175.510 0.033 0.000 1.027 130 N CA -0.342 52.723 53.050 0.025 0.000 0.918 130 N CB 1.501 40.000 38.487 0.021 0.000 1.152 130 N HN 0.322 nan 8.380 nan 0.000 0.485 131 I N 1.702 122.294 120.570 0.036 0.000 2.648 131 I HA 0.407 4.576 4.170 -0.000 0.000 0.304 131 I C -0.850 175.292 176.117 0.043 0.000 1.009 131 I CA -0.759 60.569 61.300 0.047 0.000 1.114 131 I CB 1.698 39.731 38.000 0.055 0.000 1.293 131 I HN 0.567 nan 8.210 nan 0.000 0.449 132 N N 5.524 124.256 118.700 0.053 0.000 2.310 132 N HA 0.597 5.336 4.740 -0.000 0.000 0.292 132 N C -1.168 174.381 175.510 0.065 0.000 1.049 132 N CA -0.634 52.447 53.050 0.051 0.000 0.849 132 N CB 2.327 40.844 38.487 0.051 0.000 1.532 132 N HN 0.463 nan 8.380 nan 0.000 0.479 133 I N 0.939 121.538 120.570 0.048 0.000 2.525 133 I HA 0.290 4.460 4.170 -0.000 0.000 0.301 133 I C -0.119 176.038 176.117 0.067 0.000 0.992 133 I CA -0.688 60.641 61.300 0.048 0.000 1.162 133 I CB 1.269 39.227 38.000 -0.070 0.000 1.332 133 I HN 0.740 nan 8.210 nan 0.000 0.458 134 D N 6.620 127.081 120.400 0.101 0.000 2.336 134 D HA 0.087 4.726 4.640 -0.000 0.000 0.228 134 D C 0.255 176.611 176.300 0.094 0.000 1.120 134 D CA -0.142 53.917 54.000 0.097 0.000 0.839 134 D CB -0.188 40.672 40.800 0.100 0.000 0.932 134 D HN 0.299 nan 8.370 nan 0.000 0.509 135 L N 1.244 122.502 121.223 0.059 0.000 2.514 135 L HA 0.154 4.493 4.340 -0.000 0.000 0.280 135 L C -1.601 175.364 176.870 0.158 0.000 1.223 135 L CA -1.210 53.645 54.840 0.025 0.000 0.864 135 L CB 0.111 42.064 42.059 -0.176 0.000 1.118 135 L HN 0.009 nan 8.230 nan 0.000 0.494 136 P HA 0.087 nan 4.420 nan 0.000 0.274 136 P C 0.486 177.993 177.300 0.346 0.000 1.231 136 P CA 0.102 63.331 63.100 0.214 0.000 0.790 136 P CB 0.897 32.684 31.700 0.145 0.000 0.951 137 G N 0.731 109.673 108.800 0.237 0.000 2.160 137 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.251 137 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.251 137 G C 0.147 175.245 174.900 0.330 0.000 1.008 137 G CA 0.222 45.485 45.100 0.273 0.000 0.724 137 G HN 0.548 nan 8.290 nan 0.000 0.514 138 L N 0.053 121.442 121.223 0.278 0.000 3.229 138 L HA 0.400 4.740 4.340 -0.000 0.000 0.286 138 L C 1.076 178.024 176.870 0.129 0.000 1.239 138 L CA -0.485 54.483 54.840 0.213 0.000 1.035 138 L CB 0.199 42.435 42.059 0.295 0.000 1.408 138 L HN 0.135 nan 8.230 nan 0.000 0.593 139 K N 0.564 121.033 120.400 0.115 0.000 2.466 139 K HA 0.288 4.608 4.320 -0.000 0.000 0.278 139 K C 1.191 177.824 176.600 0.055 0.000 1.048 139 K CA 0.920 57.254 56.287 0.079 0.000 1.088 139 K CB -0.057 32.485 32.500 0.070 0.000 0.884 139 K HN 0.374 nan 8.250 nan 0.000 0.478 140 G N 3.379 112.206 108.800 0.046 0.000 2.258 140 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.233 140 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.233 140 G C 0.119 175.035 174.900 0.026 0.000 1.006 140 G CA 0.028 45.147 45.100 0.031 0.000 0.620 140 G HN 0.622 nan 8.290 nan 0.000 0.511 141 E N 0.849 121.069 120.200 0.033 0.000 3.858 141 E HA 0.247 4.597 4.350 -0.000 0.000 0.208 141 E C 0.533 177.158 176.600 0.042 0.000 1.041 141 E CA 0.051 56.467 56.400 0.026 0.000 1.368 141 E CB 0.157 29.862 29.700 0.008 0.000 1.176 141 E HN 0.455 nan 8.360 nan 0.000 0.448 142 N N -0.618 118.111 118.700 0.049 0.000 2.235 142 N HA 0.098 4.838 4.740 -0.000 0.000 0.231 142 N C -0.283 175.250 175.510 0.037 0.000 1.177 142 N CA -0.242 52.841 53.050 0.055 0.000 0.874 142 N CB 0.845 39.376 38.487 0.074 0.000 1.097 142 N HN -0.144 nan 8.380 nan 0.000 0.518 143 S N 0.660 116.377 115.700 0.029 0.000 2.568 143 S HA 0.741 5.211 4.470 -0.000 0.000 0.302 143 S C -1.066 173.544 174.600 0.017 0.000 1.082 143 S CA -0.588 57.626 58.200 0.024 0.000 1.009 143 S CB 1.609 64.824 63.200 0.025 0.000 1.069 143 S HN 0.318 nan 8.310 nan 0.000 0.500 144 I N 1.810 122.389 120.570 0.016 0.000 2.743 144 I HA 0.380 4.549 4.170 -0.000 0.000 0.292 144 I C -1.200 174.925 176.117 0.013 0.000 1.343 144 I CA -0.395 60.911 61.300 0.010 0.000 1.038 144 I CB 1.770 39.772 38.000 0.004 0.000 1.311 144 I HN 0.518 nan 8.210 nan 0.000 0.426 145 K N 6.214 126.621 120.400 0.011 0.000 2.205 145 K HA 0.673 4.992 4.320 -0.000 0.000 0.279 145 K C -1.583 175.024 176.600 0.011 0.000 1.027 145 K CA -0.502 55.792 56.287 0.013 0.000 0.932 145 K CB 1.137 33.644 32.500 0.011 0.000 1.032 145 K HN 0.496 nan 8.250 nan 0.000 0.466 146 V N 4.931 124.855 119.914 0.017 0.000 2.293 146 V HA 0.046 4.166 4.120 -0.000 0.000 0.275 146 V C 0.344 176.449 176.094 0.018 0.000 1.021 146 V CA -0.667 61.642 62.300 0.015 0.000 0.815 146 V CB 1.038 32.876 31.823 0.025 0.000 1.025 146 V HN 0.874 nan 8.190 nan 0.000 0.448 147 D N 2.325 122.732 120.400 0.012 0.000 2.087 147 D HA -0.109 4.531 4.640 -0.000 0.000 0.192 147 D C 0.827 177.138 176.300 0.019 0.000 0.993 147 D CA 1.712 55.720 54.000 0.015 0.000 0.828 147 D CB 0.190 40.997 40.800 0.011 0.000 0.968 147 D HN 0.666 nan 8.370 nan 0.000 0.448 148 D N 0.022 120.431 120.400 0.015 0.000 2.473 148 D HA 0.200 4.840 4.640 -0.000 0.000 0.226 148 D C -2.609 173.703 176.300 0.019 0.000 1.089 148 D CA -2.284 51.728 54.000 0.020 0.000 0.883 148 D CB 1.239 42.046 40.800 0.012 0.000 1.029 148 D HN -0.087 nan 8.370 nan 0.000 0.517 149 P HA 0.169 nan 4.420 nan 0.000 0.268 149 P C -0.805 176.547 177.300 0.086 0.000 1.541 149 P CA -0.304 62.854 63.100 0.095 0.000 1.093 149 P CB 0.120 31.908 31.700 0.146 0.000 1.551 150 T N -0.634 113.861 114.554 -0.099 0.000 2.907 150 T HA 0.226 4.576 4.350 -0.000 0.000 0.292 150 T C 0.676 174.972 174.700 -0.673 0.000 1.043 150 T CA -0.675 61.276 62.100 -0.248 0.000 1.003 150 T CB 1.087 69.895 68.868 -0.101 0.000 1.084 150 T HN 0.138 nan 8.240 nan 0.000 0.483 151 Y N 2.577 122.280 120.300 -0.994 0.000 2.062 151 Y HA -0.135 4.414 4.550 -0.000 0.000 0.276 151 Y C 2.364 178.027 175.900 -0.394 0.000 1.189 151 Y CA 2.643 60.192 58.100 -0.918 0.000 1.130 151 Y CB -0.940 37.283 38.460 -0.395 0.000 0.959 151 Y HN 0.847 nan 8.280 nan 0.000 0.499 152 G N -0.536 108.117 108.800 -0.244 0.000 2.408 152 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 152 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 152 G C 1.703 176.472 174.900 -0.219 0.000 1.150 152 G CA 0.801 45.782 45.100 -0.199 0.000 0.776 152 G HN 0.396 nan 8.290 nan 0.000 0.542 153 K N -0.295 119.988 120.400 -0.195 0.000 2.296 153 K HA 0.153 4.473 4.320 -0.000 0.000 0.200 153 K C 2.325 178.842 176.600 -0.138 0.000 1.048 153 K CA 0.206 56.414 56.287 -0.133 0.000 0.966 153 K CB 0.119 32.570 32.500 -0.083 0.000 0.754 153 K HN 0.227 nan 8.250 nan 0.000 0.466 154 V N 0.051 119.840 119.914 -0.209 0.000 2.725 154 V HA -0.109 4.011 4.120 -0.000 0.000 0.247 154 V C 1.802 177.808 176.094 -0.146 0.000 1.058 154 V CA 1.272 63.506 62.300 -0.110 0.000 1.080 154 V CB 0.402 32.235 31.823 0.016 0.000 0.713 154 V HN 0.213 nan 8.190 nan 0.000 0.465 155 S N 0.800 116.322 115.700 -0.296 0.000 2.382 155 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 155 S C 2.023 176.524 174.600 -0.165 0.000 1.027 155 S CA 1.443 59.471 58.200 -0.287 0.000 0.991 155 S CB -0.471 62.443 63.200 -0.477 0.000 0.823 155 S HN 0.688 nan 8.310 nan 0.000 0.469 156 G N 1.087 109.803 108.800 -0.141 0.000 2.403 156 G HA2 0.053 4.013 3.960 -0.000 0.000 0.216 156 G HA3 0.053 4.013 3.960 -0.000 0.000 0.216 156 G C 1.548 176.406 174.900 -0.069 0.000 1.154 156 G CA 0.735 45.783 45.100 -0.087 0.000 0.784 156 G HN 0.553 nan 8.290 nan 0.000 0.538 157 A N 0.950 123.731 122.820 -0.066 0.000 1.877 157 A HA 0.041 4.360 4.320 -0.000 0.000 0.216 157 A C 2.379 179.932 177.584 -0.052 0.000 1.186 157 A CA 1.216 53.227 52.037 -0.044 0.000 0.620 157 A CB -0.384 18.601 19.000 -0.026 0.000 0.822 157 A HN 0.356 nan 8.150 nan 0.000 0.443 158 I N -0.118 120.410 120.570 -0.069 0.000 2.208 158 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 158 I C 1.824 177.870 176.117 -0.119 0.000 1.097 158 I CA 1.602 62.842 61.300 -0.099 0.000 1.363 158 I CB -0.512 37.412 38.000 -0.127 0.000 1.051 158 I HN 0.281 nan 8.210 nan 0.000 0.413 159 D N 0.657 121.000 120.400 -0.096 0.000 2.144 159 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 159 D C 2.096 178.364 176.300 -0.053 0.000 0.984 159 D CA 1.066 55.022 54.000 -0.074 0.000 0.834 159 D CB -0.124 40.642 40.800 -0.057 0.000 0.955 159 D HN 0.431 nan 8.370 nan 0.000 0.465 160 E N 0.431 120.603 120.200 -0.047 0.000 2.017 160 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 160 E C 2.486 179.072 176.600 -0.023 0.000 0.997 160 E CA 0.462 56.845 56.400 -0.029 0.000 0.804 160 E CB -0.179 29.506 29.700 -0.025 0.000 0.757 160 E HN 0.265 nan 8.360 nan 0.000 0.448 161 L N 0.832 122.033 121.223 -0.037 0.000 2.013 161 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 161 L C 2.576 179.435 176.870 -0.018 0.000 1.073 161 L CA 1.027 55.849 54.840 -0.030 0.000 0.753 161 L CB -0.563 41.460 42.059 -0.060 0.000 0.890 161 L HN 0.064 nan 8.230 nan 0.000 0.432 162 V N -1.250 118.617 119.914 -0.079 0.000 2.515 162 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 162 V C 2.522 178.659 176.094 0.072 0.000 1.058 162 V CA 1.789 64.055 62.300 -0.057 0.000 1.064 162 V CB -0.190 31.550 31.823 -0.138 0.000 0.675 162 V HN 0.362 nan 8.190 nan 0.000 0.461 163 S N -0.614 115.108 115.700 0.036 0.000 2.383 163 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 163 S C 2.030 176.670 174.600 0.067 0.000 1.026 163 S CA 1.585 59.814 58.200 0.048 0.000 0.981 163 S CB -0.251 62.956 63.200 0.012 0.000 0.818 163 S HN 0.592 nan 8.310 nan 0.000 0.472 164 K N -0.173 120.262 120.400 0.058 0.000 2.032 164 K HA -0.202 4.117 4.320 -0.000 0.000 0.209 164 K C 1.960 178.602 176.600 0.070 0.000 1.048 164 K CA 1.596 57.906 56.287 0.039 0.000 0.927 164 K CB -0.290 32.231 32.500 0.034 0.000 0.712 164 K HN 0.494 nan 8.250 nan 0.000 0.441 165 W N 2.082 123.373 121.300 -0.015 0.000 2.358 165 W HA -0.170 4.490 4.660 -0.000 0.000 0.303 165 W C 1.682 178.246 176.519 0.075 0.000 1.208 165 W CA 1.536 58.916 57.345 0.059 0.000 1.274 165 W CB -0.166 29.338 29.460 0.074 0.000 1.138 165 W HN 0.166 nan 8.180 nan 0.000 0.515 166 N N 0.487 119.423 118.700 0.393 0.000 2.309 166 N HA -0.182 4.558 4.740 -0.000 0.000 0.182 166 N C 1.475 176.997 175.510 0.021 0.000 1.018 166 N CA 1.696 54.905 53.050 0.266 0.000 0.876 166 N CB -0.458 38.171 38.487 0.237 0.000 0.972 166 N HN 0.305 nan 8.380 nan 0.000 0.434 167 E N 1.515 121.693 120.200 -0.038 0.000 2.107 167 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 167 E C 1.844 178.310 176.600 -0.224 0.000 0.982 167 E CA 1.168 57.510 56.400 -0.097 0.000 0.809 167 E CB -0.024 29.630 29.700 -0.077 0.000 0.756 167 E HN 0.196 nan 8.360 nan 0.000 0.459 168 K N -1.082 119.092 120.400 -0.378 0.000 2.057 168 K HA -0.100 4.219 4.320 -0.000 0.000 0.206 168 K C -0.014 176.044 176.600 -0.904 0.000 1.050 168 K CA 0.981 56.852 56.287 -0.693 0.000 0.935 168 K CB -0.013 31.914 32.500 -0.956 0.000 0.715 168 K HN 0.153 nan 8.250 nan 0.000 0.439 169 Y N 0.770 120.740 120.300 -0.550 0.000 2.806 169 Y HA 0.241 4.791 4.550 -0.000 0.000 0.364 169 Y C 0.845 176.554 175.900 -0.318 0.000 1.101 169 Y CA -0.595 57.171 58.100 -0.557 0.000 1.256 169 Y CB 0.997 38.816 38.460 -1.070 0.000 1.363 169 Y HN 0.002 nan 8.280 nan 0.000 0.592 170 S N -0.595 115.035 115.700 -0.117 0.000 2.440 170 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 170 S C 1.586 176.149 174.600 -0.060 0.000 1.010 170 S CA 1.588 59.770 58.200 -0.030 0.000 0.972 170 S CB -0.009 63.166 63.200 -0.041 0.000 0.774 170 S HN 0.501 nan 8.310 nan 0.000 0.501 171 S N 0.519 116.136 115.700 -0.137 0.000 2.572 171 S HA 0.167 4.636 4.470 -0.000 0.000 0.228 171 S C 0.206 174.605 174.600 -0.336 0.000 0.963 171 S CA -0.150 57.888 58.200 -0.270 0.000 0.939 171 S CB 0.528 63.637 63.200 -0.152 0.000 0.804 171 S HN 0.297 nan 8.310 nan 0.000 0.480 172 T N 1.547 115.983 114.554 -0.197 0.000 3.053 172 T HA 0.284 4.633 4.350 -0.000 0.000 0.363 172 T C 0.271 175.020 174.700 0.082 0.000 1.239 172 T CA -0.401 61.668 62.100 -0.051 0.000 1.071 172 T CB 0.324 69.244 68.868 0.086 0.000 1.089 172 T HN 0.396 nan 8.240 nan 0.000 0.527 173 H N 1.170 120.258 119.070 0.029 0.000 2.544 173 H HA 0.151 4.706 4.556 -0.000 0.000 0.269 173 H C 1.314 176.550 175.328 -0.154 0.000 0.970 173 H CA -0.084 55.942 56.048 -0.037 0.000 1.219 173 H CB 0.705 30.441 29.762 -0.044 0.000 1.421 173 H HN 0.502 nan 8.280 nan 0.000 0.555 174 T N -0.993 113.536 114.554 -0.041 0.000 2.933 174 T HA 0.589 4.939 4.350 -0.000 0.000 0.305 174 T C -0.931 173.687 174.700 -0.137 0.000 1.092 174 T CA -0.960 61.033 62.100 -0.178 0.000 1.008 174 T CB 2.148 70.950 68.868 -0.109 0.000 1.102 174 T HN -0.001 nan 8.240 nan 0.000 0.469 175 L N 1.924 123.036 121.223 -0.186 0.000 2.333 175 L HA 0.675 5.014 4.340 -0.000 0.000 0.263 175 L C -2.547 174.351 176.870 0.047 0.000 1.014 175 L CA -2.886 51.931 54.840 -0.037 0.000 0.820 175 L CB 2.585 44.636 42.059 -0.014 0.000 1.352 175 L HN 0.454 nan 8.230 nan 0.000 0.421 176 P HA 0.194 nan 4.420 nan 0.000 0.271 176 P C -1.024 176.357 177.300 0.136 0.000 1.218 176 P CA -0.282 62.866 63.100 0.081 0.000 0.780 176 P CB 0.817 32.553 31.700 0.060 0.000 0.901 177 A N 3.338 126.251 122.820 0.154 0.000 2.286 177 A HA 0.386 4.706 4.320 -0.000 0.000 0.286 177 A C 0.090 177.749 177.584 0.125 0.000 1.097 177 A CA -0.665 51.493 52.037 0.202 0.000 0.821 177 A CB 0.299 19.471 19.000 0.288 0.000 1.076 177 A HN 0.443 nan 8.150 nan 0.000 0.490 178 R N 1.464 122.021 120.500 0.094 0.000 2.272 178 R HA 0.258 4.598 4.340 -0.000 0.000 0.334 178 R C -0.628 175.699 176.300 0.045 0.000 1.117 178 R CA 0.069 56.202 56.100 0.055 0.000 0.966 178 R CB 0.114 30.432 30.300 0.029 0.000 1.049 178 R HN 0.675 nan 8.270 nan 0.000 0.477 179 T N 3.312 117.904 114.554 0.064 0.000 2.832 179 T HA 0.136 4.485 4.350 -0.000 0.000 0.296 179 T C 0.127 174.859 174.700 0.053 0.000 0.968 179 T CA -0.336 61.810 62.100 0.077 0.000 1.107 179 T CB 1.183 70.129 68.868 0.131 0.000 0.916 179 T HN 0.401 nan 8.240 nan 0.000 0.517 180 Q N 2.012 121.830 119.800 0.029 0.000 2.327 180 Q HA 0.336 4.676 4.340 -0.000 0.000 0.270 180 Q C -1.532 174.456 176.000 -0.020 0.000 1.022 180 Q CA -0.742 55.062 55.803 0.002 0.000 0.773 180 Q CB 2.081 30.798 28.738 -0.036 0.000 1.251 180 Q HN 0.740 nan 8.270 nan 0.000 0.457 181 Y N 1.599 121.793 120.300 -0.177 0.000 2.330 181 Y HA 0.449 4.999 4.550 -0.000 0.000 0.336 181 Y C -0.885 174.876 175.900 -0.232 0.000 1.036 181 Y CA -0.237 57.670 58.100 -0.322 0.000 1.125 181 Y CB 1.206 39.449 38.460 -0.362 0.000 1.194 181 Y HN 0.484 nan 8.280 nan 0.000 0.469 182 S N 5.487 120.701 115.700 -0.810 0.000 2.536 182 S HA 0.541 5.010 4.470 -0.000 0.000 0.298 182 S C -1.369 172.682 174.600 -0.916 0.000 1.083 182 S CA -1.014 56.806 58.200 -0.633 0.000 0.995 182 S CB 1.945 64.951 63.200 -0.324 0.000 1.058 182 S HN 0.734 nan 8.310 nan 0.000 0.488 183 E N 0.612 120.475 120.200 -0.562 0.000 2.352 183 E HA 0.644 4.994 4.350 -0.000 0.000 0.280 183 E C -1.608 174.901 176.600 -0.153 0.000 0.930 183 E CA -0.526 55.646 56.400 -0.381 0.000 0.765 183 E CB 1.866 31.383 29.700 -0.306 0.000 1.219 183 E HN 0.557 nan 8.360 nan 0.000 0.434 184 S N 3.828 119.476 115.700 -0.086 0.000 2.580 184 S HA 0.396 4.866 4.470 -0.000 0.000 0.281 184 S C -1.287 173.287 174.600 -0.043 0.000 1.129 184 S CA -0.837 57.340 58.200 -0.039 0.000 0.862 184 S CB 1.065 64.237 63.200 -0.046 0.000 1.090 184 S HN 0.508 nan 8.310 nan 0.000 0.451 185 M N 2.949 122.518 119.600 -0.053 0.000 2.255 185 M HA 0.439 4.919 4.480 -0.000 0.000 0.336 185 M C -0.326 175.757 176.300 -0.362 0.000 1.135 185 M CA -0.510 54.674 55.300 -0.192 0.000 1.145 185 M CB 1.024 33.471 32.600 -0.254 0.000 1.473 185 M HN 0.527 nan 8.290 nan 0.000 0.462 186 V N 3.125 122.780 119.914 -0.431 0.000 2.427 186 V HA 0.214 4.333 4.120 -0.000 0.000 0.286 186 V C -0.363 175.410 176.094 -0.535 0.000 1.034 186 V CA -0.157 61.937 62.300 -0.343 0.000 0.893 186 V CB 0.872 32.586 31.823 -0.181 0.000 0.982 186 V HN 0.801 nan 8.190 nan 0.000 0.452 187 Y N 1.739 122.053 120.300 0.023 0.000 2.652 187 Y HA 0.306 4.856 4.550 -0.000 0.000 0.275 187 Y C 1.198 177.164 175.900 0.110 0.000 1.133 187 Y CA 0.433 58.570 58.100 0.061 0.000 1.246 187 Y CB 0.699 39.211 38.460 0.086 0.000 1.334 187 Y HN 0.707 nan 8.280 nan 0.000 0.493 188 S N -1.136 114.692 115.700 0.213 0.000 2.570 188 S HA 0.315 4.784 4.470 -0.000 0.000 0.270 188 S C 0.160 174.750 174.600 -0.017 0.000 1.149 188 S CA -0.907 57.377 58.200 0.139 0.000 0.837 188 S CB 2.398 65.658 63.200 0.100 0.000 1.124 188 S HN 0.098 nan 8.310 nan 0.000 0.465 189 K N 1.025 121.168 120.400 -0.429 0.000 2.044 189 K HA -0.079 4.241 4.320 -0.000 0.000 0.210 189 K C 2.024 178.441 176.600 -0.304 0.000 1.049 189 K CA 1.999 57.810 56.287 -0.792 0.000 0.927 189 K CB -0.530 31.387 32.500 -0.971 0.000 0.713 189 K HN 0.568 nan 8.250 nan 0.000 0.443 190 S N 0.367 115.951 115.700 -0.193 0.000 2.383 190 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 190 S C 1.800 176.346 174.600 -0.089 0.000 1.026 190 S CA 0.968 59.105 58.200 -0.106 0.000 0.981 190 S CB -0.114 63.054 63.200 -0.053 0.000 0.818 190 S HN 0.384 nan 8.310 nan 0.000 0.472 191 Q N 0.744 120.470 119.800 -0.122 0.000 2.016 191 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 191 Q C 2.163 178.057 176.000 -0.178 0.000 0.978 191 Q CA 1.439 57.088 55.803 -0.257 0.000 0.833 191 Q CB -0.461 27.908 28.738 -0.616 0.000 0.895 191 Q HN 0.490 nan 8.270 nan 0.000 0.427 192 I N 1.438 121.950 120.570 -0.098 0.000 2.394 192 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 192 I C 2.121 178.219 176.117 -0.032 0.000 1.136 192 I CA 1.416 62.693 61.300 -0.039 0.000 1.425 192 I CB -0.227 37.807 38.000 0.057 0.000 1.079 192 I HN 0.197 nan 8.210 nan 0.000 0.425 193 S N -1.051 114.623 115.700 -0.044 0.000 2.355 193 S HA -0.184 4.286 4.470 -0.000 0.000 0.222 193 S C 2.143 176.719 174.600 -0.041 0.000 1.031 193 S CA 1.450 59.624 58.200 -0.043 0.000 0.993 193 S CB -0.920 62.243 63.200 -0.060 0.000 0.859 193 S HN 0.503 nan 8.310 nan 0.000 0.453 194 S N 1.617 117.290 115.700 -0.046 0.000 2.382 194 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 194 S C 2.077 176.656 174.600 -0.035 0.000 1.027 194 S CA 1.051 59.229 58.200 -0.035 0.000 0.991 194 S CB -0.655 62.531 63.200 -0.024 0.000 0.823 194 S HN 0.592 nan 8.310 nan 0.000 0.469 195 A N 1.150 123.942 122.820 -0.046 0.000 1.877 195 A HA 0.085 4.404 4.320 -0.000 0.000 0.216 195 A C 2.036 179.596 177.584 -0.040 0.000 1.186 195 A CA 1.312 53.323 52.037 -0.042 0.000 0.620 195 A CB -0.612 18.355 19.000 -0.055 0.000 0.822 195 A HN 0.567 nan 8.150 nan 0.000 0.443 196 L N -1.188 120.016 121.223 -0.031 0.000 2.529 196 L HA 0.105 4.444 4.340 -0.000 0.000 0.223 196 L C 0.817 177.686 176.870 -0.002 0.000 1.113 196 L CA 0.463 55.295 54.840 -0.014 0.000 0.861 196 L CB -0.442 41.631 42.059 0.024 0.000 1.012 196 L HN 0.679 nan 8.230 nan 0.000 0.461 197 N N 1.019 119.709 118.700 -0.016 0.000 2.756 197 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 197 N C -0.651 174.859 175.510 -0.001 0.000 1.062 197 N CA 0.293 53.331 53.050 -0.020 0.000 0.696 197 N CB -0.460 38.007 38.487 -0.032 0.000 0.946 197 N HN 0.220 nan 8.380 nan 0.000 0.548 198 V N -1.946 117.965 119.914 -0.005 0.000 3.040 198 V HA 0.581 4.701 4.120 -0.000 0.000 0.312 198 V C 0.181 176.249 176.094 -0.044 0.000 1.115 198 V CA -1.238 61.054 62.300 -0.014 0.000 0.998 198 V CB 1.741 33.543 31.823 -0.035 0.000 1.042 198 V HN 0.230 nan 8.190 nan 0.000 0.433 199 N N 1.423 120.091 118.700 -0.053 0.000 2.492 199 N HA 0.303 5.043 4.740 -0.000 0.000 0.262 199 N C 1.156 176.625 175.510 -0.068 0.000 1.202 199 N CA 0.641 53.658 53.050 -0.055 0.000 0.926 199 N CB 1.793 40.250 38.487 -0.050 0.000 1.078 199 N HN 1.066 nan 8.380 nan 0.000 0.454 200 A N 5.087 127.869 122.820 -0.063 0.000 1.978 200 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 200 A C 1.938 179.507 177.584 -0.025 0.000 1.170 200 A CA 1.183 53.186 52.037 -0.056 0.000 0.636 200 A CB -0.270 18.656 19.000 -0.123 0.000 0.810 200 A HN 0.729 nan 8.150 nan 0.000 0.448 201 K N -0.169 120.207 120.400 -0.040 0.000 2.063 201 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 201 K C 1.946 178.521 176.600 -0.041 0.000 1.048 201 K CA 1.398 57.669 56.287 -0.026 0.000 0.928 201 K CB -1.086 31.395 32.500 -0.031 0.000 0.713 201 K HN 0.383 nan 8.250 nan 0.000 0.442 202 V N 1.918 121.781 119.914 -0.085 0.000 2.332 202 V HA -0.227 3.892 4.120 -0.000 0.000 0.248 202 V C 2.397 178.386 176.094 -0.175 0.000 1.055 202 V CA 1.548 63.760 62.300 -0.147 0.000 1.038 202 V CB -0.496 31.192 31.823 -0.225 0.000 0.651 202 V HN 0.178 nan 8.190 nan 0.000 0.450 203 L N -0.680 120.459 121.223 -0.141 0.000 2.095 203 L HA -0.088 4.252 4.340 -0.000 0.000 0.204 203 L C 2.516 179.373 176.870 -0.021 0.000 1.080 203 L CA 1.493 56.267 54.840 -0.109 0.000 0.759 203 L CB -0.590 41.448 42.059 -0.034 0.000 0.914 203 L HN 0.297 nan 8.230 nan 0.000 0.439 204 E N 0.518 120.766 120.200 0.080 0.000 2.072 204 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 204 E C 1.822 178.440 176.600 0.030 0.000 0.985 204 E CA 1.395 57.864 56.400 0.117 0.000 0.801 204 E CB 0.162 29.978 29.700 0.194 0.000 0.750 204 E HN 0.430 nan 8.360 nan 0.000 0.452 205 N N -0.847 117.857 118.700 0.007 0.000 2.220 205 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 205 N C 1.709 177.215 175.510 -0.007 0.000 1.023 205 N CA 1.202 54.253 53.050 0.002 0.000 0.856 205 N CB 0.208 38.696 38.487 0.001 0.000 0.997 205 N HN -0.087 nan 8.380 nan 0.000 0.429 206 S N -0.060 115.617 115.700 -0.039 0.000 2.388 206 S HA 0.155 4.625 4.470 -0.000 0.000 0.223 206 S C 1.711 176.291 174.600 -0.033 0.000 1.034 206 S CA 0.562 58.738 58.200 -0.039 0.000 0.963 206 S CB 0.018 63.172 63.200 -0.077 0.000 0.827 206 S HN 0.187 nan 8.310 nan 0.000 0.481 207 L N 0.766 121.954 121.223 -0.058 0.000 2.477 207 L HA 0.251 4.591 4.340 -0.000 0.000 0.220 207 L C 1.075 177.911 176.870 -0.056 0.000 1.106 207 L CA 0.152 54.963 54.840 -0.049 0.000 0.851 207 L CB -0.442 41.577 42.059 -0.066 0.000 0.994 207 L HN 0.474 nan 8.230 nan 0.000 0.462 208 G N 1.652 110.419 108.800 -0.055 0.000 2.415 208 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.283 208 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.283 208 G C -0.335 174.495 174.900 -0.117 0.000 1.014 208 G CA -0.167 44.898 45.100 -0.058 0.000 1.323 208 G HN 0.051 nan 8.290 nan 0.000 0.502 209 V N 2.311 122.111 119.914 -0.191 0.000 2.383 209 V HA 0.283 4.403 4.120 -0.000 0.000 0.275 209 V C 0.581 176.398 176.094 -0.462 0.000 1.036 209 V CA -0.608 61.443 62.300 -0.415 0.000 0.889 209 V CB 1.791 33.174 31.823 -0.733 0.000 0.985 209 V HN 0.605 nan 8.190 nan 0.000 0.459 210 D N 4.196 124.398 120.400 -0.329 0.000 2.508 210 D HA 0.133 4.773 4.640 -0.000 0.000 0.224 210 D C 0.787 176.965 176.300 -0.204 0.000 1.171 210 D CA -0.138 53.752 54.000 -0.184 0.000 1.006 210 D CB 0.186 40.924 40.800 -0.103 0.000 1.073 210 D HN 0.421 nan 8.370 nan 0.000 0.513 211 F N 1.831 121.773 119.950 -0.015 0.000 2.333 211 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 211 F C 2.167 177.968 175.800 0.001 0.000 1.083 211 F CA 0.614 58.608 58.000 -0.011 0.000 1.395 211 F CB -0.305 38.689 39.000 -0.011 0.000 1.056 211 F HN 0.325 nan 8.300 nan 0.000 0.529 212 N N -0.299 118.486 118.700 0.141 0.000 2.333 212 N HA -0.000 4.739 4.740 -0.000 0.000 0.178 212 N C 1.907 177.449 175.510 0.054 0.000 1.018 212 N CA 0.865 53.971 53.050 0.094 0.000 0.882 212 N CB -0.107 38.422 38.487 0.071 0.000 0.984 212 N HN 0.122 nan 8.380 nan 0.000 0.434 213 A N -0.185 122.648 122.820 0.022 0.000 1.897 213 A HA -0.027 4.292 4.320 -0.000 0.000 0.215 213 A C 2.251 179.836 177.584 0.002 0.000 1.181 213 A CA 1.047 53.085 52.037 0.001 0.000 0.620 213 A CB -0.778 18.208 19.000 -0.024 0.000 0.821 213 A HN 0.140 nan 8.150 nan 0.000 0.443 214 V N -0.002 119.909 119.914 -0.006 0.000 2.261 214 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 214 V C 3.096 179.222 176.094 0.054 0.000 1.047 214 V CA 2.038 64.339 62.300 0.002 0.000 1.015 214 V CB -1.216 30.598 31.823 -0.015 0.000 0.642 214 V HN 0.620 nan 8.190 nan 0.000 0.446 215 A N 0.078 122.950 122.820 0.087 0.000 1.892 215 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 215 A C 1.884 179.503 177.584 0.060 0.000 1.188 215 A CA 2.173 54.265 52.037 0.092 0.000 0.631 215 A CB -0.694 18.366 19.000 0.100 0.000 0.822 215 A HN 0.657 nan 8.150 nan 0.000 0.447 216 N N -0.145 118.582 118.700 0.044 0.000 2.370 216 N HA -0.031 4.709 4.740 -0.000 0.000 0.198 216 N C -0.199 175.320 175.510 0.014 0.000 1.156 216 N CA 0.338 53.405 53.050 0.028 0.000 0.839 216 N CB -0.386 38.116 38.487 0.026 0.000 0.989 216 N HN 0.640 nan 8.380 nan 0.000 0.468 217 N N 1.140 119.850 118.700 0.017 0.000 2.714 217 N HA -0.198 4.542 4.740 -0.000 0.000 0.252 217 N C 0.123 175.627 175.510 -0.010 0.000 1.014 217 N CA 0.242 53.293 53.050 0.002 0.000 0.735 217 N CB -0.242 38.241 38.487 -0.006 0.000 0.924 217 N HN 0.436 nan 8.380 nan 0.000 0.540 218 E N -0.271 119.925 120.200 -0.007 0.000 2.415 218 E HA 0.142 4.492 4.350 -0.000 0.000 0.197 218 E C -0.134 176.456 176.600 -0.016 0.000 1.007 218 E CA 0.543 56.938 56.400 -0.010 0.000 0.890 218 E CB 0.450 30.148 29.700 -0.003 0.000 0.891 218 E HN 0.314 nan 8.360 nan 0.000 0.496 219 K N 0.785 121.173 120.400 -0.020 0.000 2.498 219 K HA 0.368 4.688 4.320 -0.000 0.000 0.254 219 K C -1.136 175.449 176.600 -0.026 0.000 0.933 219 K CA -0.559 55.715 56.287 -0.021 0.000 0.806 219 K CB 2.395 34.876 32.500 -0.032 0.000 1.301 219 K HN -0.209 nan 8.250 nan 0.000 0.432 220 K N 2.120 122.515 120.400 -0.008 0.000 2.307 220 K HA 0.450 4.769 4.320 -0.000 0.000 0.263 220 K C -0.970 175.676 176.600 0.077 0.000 0.973 220 K CA -0.694 55.585 56.287 -0.013 0.000 0.846 220 K CB 1.807 34.271 32.500 -0.060 0.000 1.100 220 K HN 0.201 nan 8.250 nan 0.000 0.438 221 V N 4.053 123.971 119.914 0.007 0.000 2.628 221 V HA 0.498 4.618 4.120 -0.000 0.000 0.306 221 V C -0.428 175.680 176.094 0.023 0.000 1.045 221 V CA -0.964 61.353 62.300 0.028 0.000 0.905 221 V CB 1.749 33.513 31.823 -0.100 0.000 0.997 221 V HN 0.806 nan 8.190 nan 0.000 0.436 222 M N 5.153 124.795 119.600 0.070 0.000 2.464 222 M HA 0.720 5.200 4.480 -0.000 0.000 0.308 222 M C -1.950 174.339 176.300 -0.018 0.000 1.127 222 M CA -0.410 54.916 55.300 0.043 0.000 0.913 222 M CB 1.893 34.586 32.600 0.154 0.000 1.689 222 M HN 0.597 nan 8.290 nan 0.000 0.445 223 I N 5.633 126.190 120.570 -0.021 0.000 2.466 223 I HA 0.407 4.576 4.170 -0.000 0.000 0.289 223 I C -1.150 174.958 176.117 -0.016 0.000 1.026 223 I CA -0.698 60.601 61.300 -0.002 0.000 1.078 223 I CB 1.976 39.974 38.000 -0.003 0.000 1.249 223 I HN 0.673 nan 8.210 nan 0.000 0.429 224 L N 5.386 126.626 121.223 0.028 0.000 2.334 224 L HA 0.912 5.252 4.340 -0.000 0.000 0.272 224 L C -0.084 176.771 176.870 -0.025 0.000 1.020 224 L CA -0.787 54.013 54.840 -0.067 0.000 0.812 224 L CB 1.766 43.906 42.059 0.135 0.000 1.264 224 L HN 0.648 nan 8.230 nan 0.000 0.439 225 A N 1.607 124.267 122.820 -0.267 0.000 2.402 225 A HA 0.648 4.968 4.320 -0.000 0.000 0.291 225 A C -1.685 175.692 177.584 -0.345 0.000 1.051 225 A CA -0.326 51.546 52.037 -0.275 0.000 0.716 225 A CB 0.660 19.522 19.000 -0.230 0.000 1.223 225 A HN 0.558 nan 8.150 nan 0.000 0.425 226 Y N 1.940 122.112 120.300 -0.213 0.000 2.717 226 Y HA 0.335 4.885 4.550 -0.000 0.000 0.329 226 Y C 0.628 176.427 175.900 -0.167 0.000 1.017 226 Y CA -0.252 57.796 58.100 -0.087 0.000 1.275 226 Y CB 1.295 39.743 38.460 -0.019 0.000 1.109 226 Y HN 0.664 nan 8.280 nan 0.000 0.511 227 K N 3.345 123.702 120.400 -0.070 0.000 2.349 227 K HA 0.173 4.493 4.320 -0.000 0.000 0.288 227 K C -0.516 176.051 176.600 -0.055 0.000 1.058 227 K CA -0.368 55.853 56.287 -0.110 0.000 0.953 227 K CB 0.535 32.959 32.500 -0.126 0.000 0.997 227 K HN 0.514 nan 8.250 nan 0.000 0.477 228 Q N 5.145 124.894 119.800 -0.085 0.000 2.431 228 Q HA 0.266 4.606 4.340 -0.000 0.000 0.249 228 Q C -0.387 175.486 176.000 -0.212 0.000 1.025 228 Q CA -0.321 55.452 55.803 -0.050 0.000 0.835 228 Q CB 0.974 29.742 28.738 0.049 0.000 1.207 228 Q HN 0.587 nan 8.270 nan 0.000 0.490 229 I N 2.924 123.406 120.570 -0.147 0.000 2.325 229 I HA 0.120 4.290 4.170 -0.000 0.000 0.291 229 I C 0.590 176.623 176.117 -0.140 0.000 1.019 229 I CA -0.338 60.816 61.300 -0.243 0.000 1.302 229 I CB 0.422 38.333 38.000 -0.148 0.000 1.401 229 I HN 0.389 nan 8.210 nan 0.000 0.485 230 F N 5.810 125.469 119.950 -0.485 0.000 2.179 230 F HA 0.039 4.566 4.527 -0.000 0.000 0.292 230 F C 0.553 176.039 175.800 -0.523 0.000 1.089 230 F CA -0.014 57.469 58.000 -0.862 0.000 1.295 230 F CB -0.600 37.404 39.000 -1.659 0.000 1.041 230 F HN 0.491 nan 8.300 nan 0.000 0.487 231 Y N -3.222 116.985 120.300 -0.155 0.000 2.814 231 Y HA 0.504 5.054 4.550 -0.000 0.000 0.348 231 Y C -0.666 175.269 175.900 0.057 0.000 1.245 231 Y CA -2.014 56.047 58.100 -0.066 0.000 1.086 231 Y CB 0.646 39.046 38.460 -0.099 0.000 1.373 231 Y HN -0.112 nan 8.280 nan 0.000 0.451 232 T N -0.872 113.869 114.554 0.312 0.000 2.906 232 T HA 0.835 5.184 4.350 -0.000 0.000 0.295 232 T C -1.757 173.166 174.700 0.373 0.000 1.075 232 T CA -0.842 61.429 62.100 0.285 0.000 1.005 232 T CB 1.681 70.614 68.868 0.108 0.000 1.136 232 T HN 0.935 nan 8.240 nan 0.000 0.498 233 V N 2.480 122.622 119.914 0.380 0.000 2.577 233 V HA 0.730 4.850 4.120 -0.000 0.000 0.303 233 V C 0.028 176.236 176.094 0.191 0.000 1.042 233 V CA -0.786 61.684 62.300 0.282 0.000 0.872 233 V CB 1.675 33.694 31.823 0.327 0.000 0.998 233 V HN 1.272 nan 8.190 nan 0.000 0.423 234 S N 3.238 119.012 115.700 0.125 0.000 2.607 234 S HA 0.944 5.414 4.470 -0.000 0.000 0.303 234 S C -0.354 174.287 174.600 0.068 0.000 1.086 234 S CA -0.495 57.755 58.200 0.085 0.000 0.995 234 S CB 2.212 65.449 63.200 0.062 0.000 1.084 234 S HN 1.324 nan 8.310 nan 0.000 0.507 235 A N 1.389 124.238 122.820 0.049 0.000 2.318 235 A HA 0.608 4.928 4.320 -0.000 0.000 0.324 235 A C -0.692 176.906 177.584 0.023 0.000 1.170 235 A CA -0.789 51.270 52.037 0.035 0.000 0.810 235 A CB 0.285 19.298 19.000 0.022 0.000 1.198 235 A HN 0.810 nan 8.150 nan 0.000 0.484 236 D N 2.114 122.528 120.400 0.022 0.000 2.434 236 D HA 0.190 4.830 4.640 -0.000 0.000 0.252 236 D C 0.226 176.533 176.300 0.011 0.000 1.185 236 D CA 0.750 54.761 54.000 0.018 0.000 0.886 236 D CB 0.487 41.298 40.800 0.018 0.000 1.148 236 D HN 0.434 nan 8.370 nan 0.000 0.483 237 L N 5.122 126.353 121.223 0.013 0.000 2.455 237 L HA 0.176 4.515 4.340 -0.000 0.000 0.272 237 L C -1.550 175.327 176.870 0.011 0.000 1.174 237 L CA -1.371 53.477 54.840 0.012 0.000 0.869 237 L CB -0.229 41.843 42.059 0.022 0.000 1.130 237 L HN 0.197 nan 8.230 nan 0.000 0.474 238 P HA 0.131 nan 4.420 nan 0.000 0.278 238 P C -0.277 177.035 177.300 0.021 0.000 1.238 238 P CA -0.662 62.440 63.100 0.005 0.000 0.794 238 P CB 1.473 33.163 31.700 -0.017 0.000 0.955 239 K N 1.461 121.874 120.400 0.023 0.000 2.459 239 K HA 0.124 4.444 4.320 -0.000 0.000 0.193 239 K C -0.194 176.428 176.600 0.037 0.000 1.030 239 K CA 0.535 56.839 56.287 0.029 0.000 1.026 239 K CB -0.151 32.364 32.500 0.024 0.000 0.809 239 K HN 0.365 nan 8.250 nan 0.000 0.504 240 N N -0.760 117.966 118.700 0.042 0.000 2.406 240 N HA 0.175 4.915 4.740 -0.000 0.000 0.283 240 N C -2.544 173.016 175.510 0.083 0.000 1.074 240 N CA -1.487 51.600 53.050 0.061 0.000 0.916 240 N CB 2.194 40.714 38.487 0.056 0.000 1.639 240 N HN -0.286 nan 8.380 nan 0.000 0.485 241 P HA -0.198 nan 4.420 nan 0.000 0.217 241 P C 1.284 178.761 177.300 0.295 0.000 1.151 241 P CA 1.675 64.906 63.100 0.219 0.000 0.849 241 P CB 0.276 32.158 31.700 0.304 0.000 0.787 242 S N -1.000 114.859 115.700 0.266 0.000 2.382 242 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 242 S C 1.715 176.422 174.600 0.177 0.000 1.027 242 S CA 1.463 59.836 58.200 0.288 0.000 0.991 242 S CB -1.382 61.919 63.200 0.169 0.000 0.823 242 S HN 0.089 nan 8.310 nan 0.000 0.469 243 D N 1.518 121.967 120.400 0.082 0.000 2.265 243 D HA 0.017 4.657 4.640 -0.000 0.000 0.208 243 D C 1.762 178.043 176.300 -0.033 0.000 0.977 243 D CA 0.693 54.711 54.000 0.030 0.000 0.871 243 D CB -0.221 40.589 40.800 0.018 0.000 0.925 243 D HN 0.424 nan 8.370 nan 0.000 0.485 244 L N -0.727 120.409 121.223 -0.145 0.000 2.127 244 L HA -0.005 4.335 4.340 -0.000 0.000 0.203 244 L C 0.494 177.159 176.870 -0.340 0.000 1.080 244 L CA 0.293 54.929 54.840 -0.340 0.000 0.768 244 L CB -0.099 41.564 42.059 -0.660 0.000 0.924 244 L HN -0.129 nan 8.230 nan 0.000 0.444 245 F N 0.531 120.516 119.950 0.058 0.000 2.412 245 F HA 0.141 4.668 4.527 -0.000 0.000 0.348 245 F C 0.674 176.504 175.800 0.051 0.000 1.102 245 F CA -1.305 56.729 58.000 0.058 0.000 1.196 245 F CB 0.014 39.054 39.000 0.066 0.000 1.144 245 F HN -0.091 nan 8.300 nan 0.000 0.541 246 D N 1.654 122.195 120.400 0.235 0.000 2.399 246 D HA -0.046 4.594 4.640 -0.000 0.000 0.241 246 D C 0.777 177.167 176.300 0.150 0.000 1.133 246 D CA -0.073 54.014 54.000 0.146 0.000 0.890 246 D CB 0.727 41.597 40.800 0.116 0.000 1.201 246 D HN 0.456 nan 8.370 nan 0.000 0.432 247 D N 0.923 121.387 120.400 0.106 0.000 2.351 247 D HA -0.136 4.504 4.640 -0.000 0.000 0.216 247 D C 1.562 177.904 176.300 0.071 0.000 0.968 247 D CA 0.912 54.965 54.000 0.088 0.000 0.899 247 D CB -0.134 40.706 40.800 0.066 0.000 0.907 247 D HN 0.444 nan 8.370 nan 0.000 0.514 248 S N -0.550 115.190 115.700 0.068 0.000 2.562 248 S HA 0.034 4.503 4.470 -0.000 0.000 0.221 248 S C 0.805 175.431 174.600 0.043 0.000 0.975 248 S CA -0.346 57.884 58.200 0.050 0.000 0.918 248 S CB 0.069 63.296 63.200 0.045 0.000 0.772 248 S HN -0.106 nan 8.310 nan 0.000 0.531 249 V N 3.301 123.248 119.914 0.055 0.000 2.498 249 V HA 0.497 4.617 4.120 -0.000 0.000 0.279 249 V C 0.727 176.810 176.094 -0.017 0.000 1.048 249 V CA -0.204 62.105 62.300 0.016 0.000 0.967 249 V CB 0.860 32.701 31.823 0.031 0.000 0.988 249 V HN 0.609 nan 8.190 nan 0.000 0.473 250 T N 1.233 115.768 114.554 -0.032 0.000 2.945 250 T HA 0.430 4.780 4.350 -0.000 0.000 0.286 250 T C 0.632 175.324 174.700 -0.013 0.000 1.025 250 T CA -0.488 61.610 62.100 -0.002 0.000 1.039 250 T CB 1.166 70.045 68.868 0.017 0.000 1.068 250 T HN 0.330 nan 8.240 nan 0.000 0.497 251 F N 1.788 121.672 119.950 -0.110 0.000 2.307 251 F HA -0.036 4.491 4.527 -0.000 0.000 0.301 251 F C 1.994 177.743 175.800 -0.085 0.000 1.076 251 F CA 1.418 59.349 58.000 -0.115 0.000 1.383 251 F CB -0.787 38.172 39.000 -0.069 0.000 1.055 251 F HN 0.806 nan 8.300 nan 0.000 0.526 252 N N -0.208 118.435 118.700 -0.095 0.000 2.106 252 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 252 N C 1.462 176.856 175.510 -0.192 0.000 1.029 252 N CA 1.381 54.338 53.050 -0.155 0.000 0.848 252 N CB -0.087 38.371 38.487 -0.049 0.000 1.007 252 N HN 0.173 nan 8.380 nan 0.000 0.423 253 D N 0.869 121.184 120.400 -0.141 0.000 2.149 253 D HA -0.182 4.458 4.640 -0.000 0.000 0.198 253 D C 1.991 178.190 176.300 -0.169 0.000 0.990 253 D CA 0.768 54.695 54.000 -0.122 0.000 0.839 253 D CB -0.421 40.328 40.800 -0.085 0.000 0.948 253 D HN 0.390 nan 8.370 nan 0.000 0.460 254 L N 0.370 121.437 121.223 -0.260 0.000 2.017 254 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 254 L C 2.474 179.166 176.870 -0.296 0.000 1.073 254 L CA 1.217 55.888 54.840 -0.281 0.000 0.745 254 L CB -0.291 41.551 42.059 -0.361 0.000 0.894 254 L HN -0.016 nan 8.230 nan 0.000 0.432 255 K N -0.358 119.776 120.400 -0.442 0.000 2.057 255 K HA -0.237 4.082 4.320 -0.000 0.000 0.206 255 K C 2.115 178.602 176.600 -0.188 0.000 1.050 255 K CA 1.225 57.306 56.287 -0.344 0.000 0.935 255 K CB -0.118 32.139 32.500 -0.405 0.000 0.715 255 K HN 0.292 nan 8.250 nan 0.000 0.439 256 Q N 1.273 120.973 119.800 -0.166 0.000 2.135 256 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 256 Q C 1.433 177.386 176.000 -0.078 0.000 0.981 256 Q CA 1.467 57.209 55.803 -0.101 0.000 0.856 256 Q CB 0.204 28.891 28.738 -0.085 0.000 0.902 256 Q HN 0.134 nan 8.270 nan 0.000 0.425 257 K N -1.483 118.866 120.400 -0.085 0.000 2.432 257 K HA -0.002 4.318 4.320 -0.000 0.000 0.196 257 K C 0.957 177.529 176.600 -0.047 0.000 1.038 257 K CA 0.846 57.102 56.287 -0.053 0.000 0.986 257 K CB 0.603 33.078 32.500 -0.041 0.000 0.782 257 K HN 0.469 nan 8.250 nan 0.000 0.485 258 G N 0.628 109.388 108.800 -0.066 0.000 2.273 258 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.162 258 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.162 258 G C 0.082 174.951 174.900 -0.052 0.000 1.006 258 G CA -0.401 44.670 45.100 -0.050 0.000 0.704 258 G HN 0.049 nan 8.290 nan 0.000 0.487 259 V N 2.026 121.894 119.914 -0.078 0.000 2.655 259 V HA 0.575 4.695 4.120 -0.000 0.000 0.300 259 V C 0.886 176.949 176.094 -0.052 0.000 1.044 259 V CA 1.197 63.462 62.300 -0.058 0.000 1.095 259 V CB 1.038 32.810 31.823 -0.085 0.000 0.952 259 V HN 1.430 nan 8.190 nan 0.000 0.485 260 S N 3.326 119.031 115.700 0.008 0.000 2.694 260 S HA 0.311 4.781 4.470 -0.000 0.000 0.273 260 S C 0.388 175.035 174.600 0.079 0.000 1.180 260 S CA -0.591 57.633 58.200 0.039 0.000 0.864 260 S CB 1.148 64.355 63.200 0.012 0.000 1.198 260 S HN 0.436 nan 8.310 nan 0.000 0.499 261 N N 0.760 119.519 118.700 0.098 0.000 2.244 261 N HA 0.032 4.772 4.740 -0.000 0.000 0.183 261 N C 0.827 176.386 175.510 0.081 0.000 1.016 261 N CA 1.057 54.191 53.050 0.141 0.000 0.866 261 N CB -0.236 38.328 38.487 0.129 0.000 0.980 261 N HN 0.687 nan 8.380 nan 0.000 0.430 262 E N -0.395 119.826 120.200 0.035 0.000 2.465 262 E HA 0.265 4.614 4.350 -0.000 0.000 0.195 262 E C -0.421 176.166 176.600 -0.022 0.000 1.028 262 E CA -0.231 56.175 56.400 0.010 0.000 0.899 262 E CB 0.478 30.190 29.700 0.020 0.000 1.032 262 E HN 0.155 nan 8.360 nan 0.000 0.468 263 A N 2.021 124.818 122.820 -0.038 0.000 3.365 263 A HA 0.324 4.644 4.320 -0.000 0.000 0.258 263 A C -2.719 174.826 177.584 -0.064 0.000 0.964 263 A CA -1.107 50.903 52.037 -0.044 0.000 0.988 263 A CB 0.199 19.186 19.000 -0.022 0.000 1.193 263 A HN -0.075 nan 8.150 nan 0.000 0.508 264 P HA 0.176 nan 4.420 nan 0.000 0.266 264 P C -2.615 174.678 177.300 -0.012 0.000 1.195 264 P CA -0.594 62.375 63.100 -0.219 0.000 0.768 264 P CB 0.133 31.272 31.700 -0.936 0.000 0.838 265 P HA 0.217 nan 4.420 nan 0.000 0.275 265 P C -0.787 176.588 177.300 0.126 0.000 1.228 265 P CA 0.382 63.563 63.100 0.135 0.000 0.786 265 P CB 0.750 32.583 31.700 0.221 0.000 0.927 266 L N 1.429 122.685 121.223 0.054 0.000 2.415 266 L HA 0.614 4.953 4.340 -0.000 0.000 0.256 266 L C -0.084 176.778 176.870 -0.012 0.000 1.010 266 L CA -0.853 53.975 54.840 -0.021 0.000 0.826 266 L CB 2.460 44.425 42.059 -0.158 0.000 1.405 266 L HN 0.326 nan 8.230 nan 0.000 0.410 267 M N 1.244 120.823 119.600 -0.035 0.000 2.395 267 M HA 0.497 4.977 4.480 -0.000 0.000 0.307 267 M C -1.484 174.785 176.300 -0.053 0.000 1.091 267 M CA -0.774 54.495 55.300 -0.051 0.000 0.919 267 M CB 2.287 34.858 32.600 -0.049 0.000 1.662 267 M HN 0.299 nan 8.290 nan 0.000 0.440 268 V N 4.114 123.989 119.914 -0.065 0.000 2.439 268 V HA 0.097 4.217 4.120 -0.000 0.000 0.271 268 V C 0.954 177.037 176.094 -0.018 0.000 1.040 268 V CA 0.487 62.784 62.300 -0.005 0.000 1.002 268 V CB 0.836 32.633 31.823 -0.043 0.000 1.000 268 V HN 1.059 nan 8.190 nan 0.000 0.477 269 S N 3.262 118.960 115.700 -0.003 0.000 2.503 269 S HA 0.200 4.670 4.470 -0.000 0.000 0.215 269 S C 0.640 175.254 174.600 0.022 0.000 1.003 269 S CA -0.241 57.960 58.200 0.001 0.000 0.910 269 S CB 0.170 63.366 63.200 -0.008 0.000 0.790 269 S HN 0.645 nan 8.310 nan 0.000 0.514 270 N N 0.289 119.007 118.700 0.030 0.000 2.324 270 N HA 0.497 5.237 4.740 -0.000 0.000 0.285 270 N C -2.221 173.322 175.510 0.054 0.000 1.076 270 N CA -0.221 52.853 53.050 0.039 0.000 0.864 270 N CB 2.545 41.032 38.487 -0.001 0.000 1.632 270 N HN 0.025 nan 8.380 nan 0.000 0.478 271 V N 1.336 121.274 119.914 0.040 0.000 2.623 271 V HA 0.733 4.853 4.120 -0.000 0.000 0.304 271 V C -0.286 175.657 176.094 -0.252 0.000 1.054 271 V CA -0.924 61.312 62.300 -0.108 0.000 0.882 271 V CB 1.488 33.214 31.823 -0.162 0.000 1.002 271 V HN 0.810 nan 8.190 nan 0.000 0.424 272 A N 4.537 127.149 122.820 -0.347 0.000 2.301 272 A HA 0.871 5.191 4.320 -0.000 0.000 0.312 272 A C -1.350 175.844 177.584 -0.650 0.000 1.182 272 A CA -0.265 51.567 52.037 -0.341 0.000 0.826 272 A CB 0.523 19.390 19.000 -0.221 0.000 1.134 272 A HN 0.726 nan 8.150 nan 0.000 0.501 273 Y N 0.805 120.830 120.300 -0.457 0.000 2.429 273 Y HA 0.675 5.225 4.550 -0.000 0.000 0.342 273 Y C 1.002 176.344 175.900 -0.929 0.000 1.004 273 Y CA 0.620 58.359 58.100 -0.603 0.000 1.075 273 Y CB 2.486 40.474 38.460 -0.787 0.000 1.214 273 Y HN 1.183 nan 8.280 nan 0.000 0.455 274 G N 1.682 109.967 108.800 -0.858 0.000 2.530 274 G HA2 0.376 4.336 3.960 -0.000 0.000 0.081 274 G HA3 0.376 4.336 3.960 -0.000 0.000 0.081 274 G C -1.445 173.013 174.900 -0.736 0.000 1.062 274 G CA -0.560 43.554 45.100 -1.642 0.000 1.108 274 G HN 0.794 nan 8.290 nan 0.000 0.466 275 R N -1.310 118.891 120.500 -0.498 0.000 2.741 275 R HA 0.701 5.041 4.340 -0.000 0.000 0.276 275 R C -1.787 174.420 176.300 -0.155 0.000 1.028 275 R CA -0.584 55.403 56.100 -0.188 0.000 0.865 275 R CB 1.135 31.413 30.300 -0.037 0.000 1.268 275 R HN 0.672 nan 8.270 nan 0.000 0.475 276 T N 1.468 115.953 114.554 -0.115 0.000 2.893 276 T HA 0.540 4.890 4.350 -0.000 0.000 0.293 276 T C -0.346 174.238 174.700 -0.194 0.000 1.027 276 T CA -0.669 61.307 62.100 -0.206 0.000 0.988 276 T CB 1.377 70.047 68.868 -0.330 0.000 1.043 276 T HN 0.422 nan 8.240 nan 0.000 0.461 277 I N 2.782 123.227 120.570 -0.208 0.000 2.362 277 I HA 0.418 4.588 4.170 -0.000 0.000 0.289 277 I C -1.074 174.949 176.117 -0.156 0.000 0.994 277 I CA -0.848 60.389 61.300 -0.105 0.000 1.158 277 I CB 0.861 38.819 38.000 -0.069 0.000 1.315 277 I HN 0.553 nan 8.210 nan 0.000 0.451 278 Y N 5.087 125.422 120.300 0.058 0.000 2.360 278 Y HA 0.655 5.204 4.550 -0.000 0.000 0.337 278 Y C -0.070 175.861 175.900 0.052 0.000 1.039 278 Y CA -0.798 57.335 58.100 0.055 0.000 1.109 278 Y CB 1.964 40.431 38.460 0.012 0.000 1.201 278 Y HN 0.171 nan 8.280 nan 0.000 0.458 279 V N 3.515 123.567 119.914 0.231 0.000 2.709 279 V HA 0.455 4.575 4.120 -0.000 0.000 0.308 279 V C -0.810 175.357 176.094 0.121 0.000 1.062 279 V CA -1.414 60.978 62.300 0.154 0.000 0.901 279 V CB 2.022 33.955 31.823 0.183 0.000 1.003 279 V HN 0.650 nan 8.190 nan 0.000 0.425 280 K N 3.962 124.414 120.400 0.086 0.000 2.345 280 K HA 0.767 5.087 4.320 -0.000 0.000 0.255 280 K C -1.948 174.684 176.600 0.053 0.000 0.934 280 K CA -0.667 55.642 56.287 0.037 0.000 0.801 280 K CB 1.646 34.144 32.500 -0.004 0.000 1.137 280 K HN 0.536 nan 8.250 nan 0.000 0.424 281 L N 3.188 124.377 121.223 -0.057 0.000 2.313 281 L HA 0.477 4.816 4.340 -0.000 0.000 0.283 281 L C -0.536 176.222 176.870 -0.187 0.000 1.013 281 L CA -0.219 54.491 54.840 -0.217 0.000 0.816 281 L CB 1.781 43.291 42.059 -0.915 0.000 1.236 281 L HN 0.708 nan 8.230 nan 0.000 0.419 282 E N 1.285 121.466 120.200 -0.032 0.000 2.308 282 E HA 0.633 4.983 4.350 -0.000 0.000 0.275 282 E C -1.524 175.190 176.600 0.189 0.000 0.890 282 E CA -0.389 56.074 56.400 0.106 0.000 0.754 282 E CB 2.340 32.032 29.700 -0.012 0.000 1.207 282 E HN 0.527 nan 8.360 nan 0.000 0.426 283 T N 0.296 114.980 114.554 0.217 0.000 2.843 283 T HA 0.266 4.615 4.350 -0.000 0.000 0.302 283 T C 0.472 175.193 174.700 0.036 0.000 1.232 283 T CA 0.012 62.189 62.100 0.128 0.000 1.009 283 T CB 1.507 70.471 68.868 0.161 0.000 1.254 283 T HN 0.510 nan 8.240 nan 0.000 0.504 284 T N -0.449 114.109 114.554 0.007 0.000 3.086 284 T HA 0.290 4.639 4.350 -0.000 0.000 0.250 284 T C 0.991 175.675 174.700 -0.026 0.000 1.074 284 T CA 0.029 62.122 62.100 -0.010 0.000 0.988 284 T CB 0.045 68.907 68.868 -0.009 0.000 0.988 284 T HN 0.439 nan 8.240 nan 0.000 0.530 285 S N 0.771 116.448 115.700 -0.039 0.000 2.564 285 S HA 0.323 4.793 4.470 -0.000 0.000 0.278 285 S C 0.769 175.317 174.600 -0.087 0.000 1.333 285 S CA -0.576 57.582 58.200 -0.069 0.000 1.048 285 S CB 0.523 63.662 63.200 -0.101 0.000 0.900 285 S HN 0.373 nan 8.310 nan 0.000 0.505 286 S N 2.709 118.358 115.700 -0.085 0.000 2.601 286 S HA 0.201 4.670 4.470 -0.000 0.000 0.244 286 S C 0.253 174.783 174.600 -0.116 0.000 1.001 286 S CA -0.390 57.755 58.200 -0.091 0.000 0.984 286 S CB 0.247 63.403 63.200 -0.074 0.000 0.842 286 S HN 0.693 nan 8.310 nan 0.000 0.474 287 S N 2.207 117.826 115.700 -0.135 0.000 2.572 287 S HA 0.071 4.541 4.470 -0.000 0.000 0.279 287 S C 1.389 175.900 174.600 -0.149 0.000 1.341 287 S CA -0.349 57.761 58.200 -0.150 0.000 1.043 287 S CB 0.533 63.645 63.200 -0.148 0.000 0.887 287 S HN 0.593 nan 8.310 nan 0.000 0.516 288 K N 2.259 122.579 120.400 -0.133 0.000 2.442 288 K HA -0.015 4.305 4.320 -0.000 0.000 0.198 288 K C 0.016 176.555 176.600 -0.101 0.000 1.042 288 K CA 1.321 57.547 56.287 -0.102 0.000 0.958 288 K CB -0.028 32.423 32.500 -0.082 0.000 0.766 288 K HN 0.453 nan 8.250 nan 0.000 0.474 289 D N 0.913 121.239 120.400 -0.122 0.000 2.368 289 D HA 0.037 4.676 4.640 -0.000 0.000 0.218 289 D C 1.455 177.560 176.300 -0.325 0.000 1.112 289 D CA 0.011 53.928 54.000 -0.137 0.000 0.834 289 D CB 0.648 41.453 40.800 0.009 0.000 0.953 289 D HN 0.005 nan 8.370 nan 0.000 0.505 290 V N 1.054 120.747 119.914 -0.368 0.000 2.255 290 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 290 V C 2.693 178.366 176.094 -0.701 0.000 1.051 290 V CA 1.940 63.857 62.300 -0.638 0.000 1.018 290 V CB -0.444 31.009 31.823 -0.617 0.000 0.641 290 V HN 0.223 nan 8.190 nan 0.000 0.445 291 Q N -0.154 119.421 119.800 -0.376 0.000 2.096 291 Q HA -0.217 4.122 4.340 -0.000 0.000 0.204 291 Q C 2.147 178.075 176.000 -0.120 0.000 0.982 291 Q CA 2.166 57.866 55.803 -0.171 0.000 0.850 291 Q CB -0.310 28.397 28.738 -0.052 0.000 0.901 291 Q HN 0.639 nan 8.270 nan 0.000 0.422 292 A N 0.484 123.199 122.820 -0.176 0.000 1.897 292 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 292 A C 2.280 179.655 177.584 -0.347 0.000 1.181 292 A CA 1.407 53.361 52.037 -0.137 0.000 0.620 292 A CB -0.958 18.026 19.000 -0.026 0.000 0.821 292 A HN 0.560 nan 8.150 nan 0.000 0.443 293 A N -0.555 121.804 122.820 -0.769 0.000 1.877 293 A HA 0.005 4.324 4.320 -0.000 0.000 0.216 293 A C 1.950 179.485 177.584 -0.081 0.000 1.186 293 A CA 1.597 53.014 52.037 -1.033 0.000 0.620 293 A CB -0.742 17.603 19.000 -1.093 0.000 0.822 293 A HN 0.397 nan 8.150 nan 0.000 0.443 294 F N 0.353 120.218 119.950 -0.141 0.000 2.010 294 F HA -0.147 4.380 4.527 -0.000 0.000 0.296 294 F C 2.302 178.022 175.800 -0.132 0.000 1.146 294 F CA 1.473 59.430 58.000 -0.071 0.000 1.181 294 F CB -1.186 37.788 39.000 -0.044 0.000 0.965 294 F HN 0.197 nan 8.300 nan 0.000 0.480 295 K N -0.013 120.460 120.400 0.122 0.000 2.097 295 K HA -0.289 4.031 4.320 -0.000 0.000 0.214 295 K C 2.136 178.743 176.600 0.013 0.000 1.052 295 K CA 1.802 58.119 56.287 0.050 0.000 0.932 295 K CB -0.653 31.879 32.500 0.053 0.000 0.716 295 K HN 0.261 nan 8.250 nan 0.000 0.455 296 A N 1.149 123.993 122.820 0.040 0.000 1.908 296 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 296 A C 2.085 179.671 177.584 0.004 0.000 1.181 296 A CA 1.298 53.389 52.037 0.089 0.000 0.627 296 A CB -0.472 18.682 19.000 0.256 0.000 0.818 296 A HN 0.258 nan 8.150 nan 0.000 0.445 297 L N -0.423 120.745 121.223 -0.092 0.000 2.093 297 L HA -0.053 4.286 4.340 -0.000 0.000 0.208 297 L C 2.211 178.759 176.870 -0.536 0.000 1.085 297 L CA 1.591 56.196 54.840 -0.392 0.000 0.755 297 L CB -0.354 41.284 42.059 -0.702 0.000 0.904 297 L HN 0.419 nan 8.230 nan 0.000 0.435 298 I N -0.800 119.480 120.570 -0.484 0.000 2.252 298 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 298 I C 2.227 178.282 176.117 -0.102 0.000 1.102 298 I CA 1.285 62.401 61.300 -0.308 0.000 1.385 298 I CB -0.159 37.774 38.000 -0.111 0.000 1.064 298 I HN 0.161 nan 8.210 nan 0.000 0.414 299 K N 0.090 120.439 120.400 -0.084 0.000 2.288 299 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 299 K C 0.628 177.210 176.600 -0.029 0.000 1.048 299 K CA 0.489 56.751 56.287 -0.042 0.000 0.956 299 K CB 0.039 32.527 32.500 -0.019 0.000 0.746 299 K HN 0.125 nan 8.250 nan 0.000 0.461 300 N N 1.078 119.751 118.700 -0.045 0.000 2.776 300 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 300 N C -1.203 174.312 175.510 0.007 0.000 1.111 300 N CA 1.202 54.237 53.050 -0.024 0.000 0.711 300 N CB -1.571 36.910 38.487 -0.011 0.000 1.065 300 N HN 0.396 nan 8.380 nan 0.000 0.556 301 T N -3.338 111.232 114.554 0.026 0.000 2.897 301 T HA 0.223 4.573 4.350 -0.000 0.000 0.294 301 T C 1.203 175.942 174.700 0.065 0.000 1.004 301 T CA -0.381 61.745 62.100 0.044 0.000 1.106 301 T CB 1.302 70.203 68.868 0.055 0.000 0.949 301 T HN -0.017 nan 8.240 nan 0.000 0.520 302 D N 1.203 121.632 120.400 0.048 0.000 2.220 302 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 302 D C 2.002 178.337 176.300 0.058 0.000 1.001 302 D CA 1.093 55.121 54.000 0.046 0.000 0.875 302 D CB -0.002 40.813 40.800 0.024 0.000 0.921 302 D HN 0.596 nan 8.370 nan 0.000 0.454 303 I N 1.519 122.126 120.570 0.062 0.000 2.502 303 I HA -0.260 3.909 4.170 -0.000 0.000 0.258 303 I C 2.209 178.396 176.117 0.117 0.000 1.172 303 I CA 0.982 62.296 61.300 0.023 0.000 1.430 303 I CB -1.247 36.786 38.000 0.056 0.000 1.086 303 I HN 0.232 nan 8.210 nan 0.000 0.440 304 K N 0.938 121.505 120.400 0.279 0.000 2.442 304 K HA -0.094 4.226 4.320 -0.000 0.000 0.198 304 K C 1.143 177.979 176.600 0.393 0.000 1.042 304 K CA 1.028 57.608 56.287 0.488 0.000 0.958 304 K CB -0.286 32.420 32.500 0.344 0.000 0.766 304 K HN 0.338 nan 8.250 nan 0.000 0.474 305 N N 1.632 120.442 118.700 0.184 0.000 2.353 305 N HA -0.046 4.693 4.740 -0.000 0.000 0.185 305 N C 0.221 175.767 175.510 0.060 0.000 1.098 305 N CA 0.519 53.645 53.050 0.127 0.000 0.872 305 N CB 0.370 38.902 38.487 0.074 0.000 0.970 305 N HN 0.375 nan 8.380 nan 0.000 0.467 306 S N 0.313 116.002 115.700 -0.017 0.000 2.580 306 S HA 0.038 4.508 4.470 -0.000 0.000 0.266 306 S C 1.159 175.723 174.600 -0.061 0.000 1.354 306 S CA -0.133 57.994 58.200 -0.122 0.000 1.008 306 S CB 1.335 64.315 63.200 -0.366 0.000 0.898 306 S HN 0.069 nan 8.310 nan 0.000 0.555 307 Q N 0.219 119.978 119.800 -0.069 0.000 2.354 307 Q HA -0.060 4.279 4.340 -0.000 0.000 0.203 307 Q C 2.170 178.150 176.000 -0.033 0.000 0.933 307 Q CA 1.164 56.950 55.803 -0.028 0.000 0.901 307 Q CB -0.239 28.486 28.738 -0.021 0.000 1.007 307 Q HN 0.982 nan 8.270 nan 0.000 0.495 308 Q N -0.538 119.225 119.800 -0.062 0.000 2.230 308 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 308 Q C 1.070 177.109 176.000 0.064 0.000 0.963 308 Q CA 1.310 57.105 55.803 -0.014 0.000 0.866 308 Q CB -0.042 28.686 28.738 -0.017 0.000 0.931 308 Q HN 0.204 nan 8.270 nan 0.000 0.452 309 Y N 0.264 120.415 120.300 -0.247 0.000 2.269 309 Y HA 0.094 4.644 4.550 -0.000 0.000 0.294 309 Y C 1.940 177.397 175.900 -0.739 0.000 1.120 309 Y CA 0.729 58.513 58.100 -0.527 0.000 1.159 309 Y CB -0.116 38.092 38.460 -0.419 0.000 1.024 309 Y HN 0.059 nan 8.280 nan 0.000 0.532 310 K N 0.532 120.875 120.400 -0.095 0.000 2.147 310 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 310 K C 1.436 178.067 176.600 0.051 0.000 1.049 310 K CA 1.260 57.604 56.287 0.095 0.000 0.936 310 K CB -0.456 32.135 32.500 0.150 0.000 0.722 310 K HN 0.313 nan 8.250 nan 0.000 0.446 311 D N 0.512 120.901 120.400 -0.018 0.000 2.117 311 D HA -0.049 4.590 4.640 -0.000 0.000 0.198 311 D C 1.924 178.212 176.300 -0.019 0.000 0.982 311 D CA 0.735 54.731 54.000 -0.006 0.000 0.828 311 D CB -0.055 40.732 40.800 -0.021 0.000 0.967 311 D HN 0.115 nan 8.370 nan 0.000 0.464 312 I N -0.039 120.466 120.570 -0.109 0.000 2.252 312 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 312 I C 1.731 177.890 176.117 0.071 0.000 1.102 312 I CA 0.800 62.036 61.300 -0.107 0.000 1.385 312 I CB -0.153 37.679 38.000 -0.279 0.000 1.064 312 I HN 0.060 nan 8.210 nan 0.000 0.414 313 Y N 0.902 121.280 120.300 0.130 0.000 2.274 313 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 313 Y C 2.468 178.437 175.900 0.116 0.000 1.145 313 Y CA 0.717 58.936 58.100 0.198 0.000 1.203 313 Y CB -0.914 37.678 38.460 0.220 0.000 0.984 313 Y HN 0.251 nan 8.280 nan 0.000 0.533 314 E N -0.275 120.057 120.200 0.220 0.000 2.204 314 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 314 E C 0.558 177.198 176.600 0.066 0.000 0.989 314 E CA 0.930 57.404 56.400 0.122 0.000 0.824 314 E CB -0.160 29.591 29.700 0.085 0.000 0.756 314 E HN 0.432 nan 8.360 nan 0.000 0.477 315 N N -0.290 118.448 118.700 0.064 0.000 2.321 315 N HA 0.096 4.836 4.740 -0.000 0.000 0.242 315 N C -1.350 174.174 175.510 0.024 0.000 1.141 315 N CA -0.061 53.005 53.050 0.026 0.000 0.864 315 N CB 1.188 39.684 38.487 0.015 0.000 1.100 315 N HN -0.146 nan 8.380 nan 0.000 0.510 316 S N -1.027 114.681 115.700 0.013 0.000 2.648 316 S HA 0.705 5.175 4.470 -0.000 0.000 0.305 316 S C -0.534 173.806 174.600 -0.434 0.000 1.094 316 S CA -0.811 57.345 58.200 -0.074 0.000 0.983 316 S CB 2.214 65.511 63.200 0.162 0.000 1.101 316 S HN 0.053 nan 8.310 nan 0.000 0.514 317 S N 0.704 116.043 115.700 -0.601 0.000 2.536 317 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 317 S C -2.043 172.135 174.600 -0.704 0.000 1.134 317 S CA -0.710 57.077 58.200 -0.688 0.000 0.897 317 S CB 0.365 63.396 63.200 -0.282 0.000 1.094 317 S HN 0.419 nan 8.310 nan 0.000 0.473 318 F N 1.622 121.574 119.950 0.003 0.000 2.507 318 F HA 0.590 5.116 4.527 -0.000 0.000 0.325 318 F C 0.494 176.267 175.800 -0.045 0.000 1.116 318 F CA -0.667 57.325 58.000 -0.013 0.000 0.930 318 F CB 2.173 41.204 39.000 0.051 0.000 1.146 318 F HN 0.387 nan 8.300 nan 0.000 0.447 319 T N 2.287 116.910 114.554 0.115 0.000 2.841 319 T HA 0.812 5.162 4.350 -0.000 0.000 0.283 319 T C -0.805 173.916 174.700 0.035 0.000 1.000 319 T CA -0.684 61.442 62.100 0.044 0.000 0.977 319 T CB 1.633 70.509 68.868 0.014 0.000 0.979 319 T HN 0.785 nan 8.240 nan 0.000 0.446 320 A N 2.424 125.248 122.820 0.006 0.000 2.374 320 A HA 0.846 5.166 4.320 -0.000 0.000 0.305 320 A C -0.468 177.124 177.584 0.012 0.000 1.053 320 A CA -0.791 51.246 52.037 -0.001 0.000 0.726 320 A CB 1.078 20.036 19.000 -0.070 0.000 1.229 320 A HN 1.009 nan 8.150 nan 0.000 0.431 321 V N 0.398 120.341 119.914 0.048 0.000 2.876 321 V HA 0.878 4.998 4.120 -0.000 0.000 0.312 321 V C -0.936 175.198 176.094 0.067 0.000 1.085 321 V CA -0.734 61.595 62.300 0.049 0.000 0.945 321 V CB 1.571 33.425 31.823 0.051 0.000 1.017 321 V HN 0.702 nan 8.190 nan 0.000 0.428 322 V N 5.684 125.620 119.914 0.037 0.000 2.384 322 V HA 0.559 4.679 4.120 -0.000 0.000 0.287 322 V C -0.032 176.083 176.094 0.036 0.000 1.020 322 V CA -0.349 61.971 62.300 0.033 0.000 0.850 322 V CB 1.208 33.039 31.823 0.015 0.000 0.987 322 V HN 0.839 nan 8.190 nan 0.000 0.436 323 L N 4.114 125.373 121.223 0.060 0.000 2.319 323 L HA 1.012 5.352 4.340 -0.000 0.000 0.267 323 L C 0.821 177.704 176.870 0.021 0.000 1.011 323 L CA -0.158 54.706 54.840 0.041 0.000 0.818 323 L CB 1.817 43.939 42.059 0.104 0.000 1.316 323 L HN 0.875 nan 8.230 nan 0.000 0.432 324 G N 0.736 109.536 108.800 0.000 0.000 2.418 324 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.206 324 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.206 324 G C -0.165 174.780 174.900 0.074 0.000 1.202 324 G CA -0.488 44.619 45.100 0.012 0.000 1.061 324 G HN 0.999 nan 8.290 nan 0.000 0.563 325 G N -1.127 107.794 108.800 0.201 0.000 2.403 325 G HA2 0.540 4.500 3.960 -0.000 0.000 0.259 325 G HA3 0.540 4.500 3.960 -0.000 0.000 0.259 325 G C 0.258 175.372 174.900 0.356 0.000 1.244 325 G CA 1.371 46.765 45.100 0.490 0.000 0.849 325 G HN 1.529 nan 8.290 nan 0.000 0.532 326 D N -1.255 119.377 120.400 0.386 0.000 3.068 326 D HA -0.122 4.518 4.640 -0.000 0.000 0.218 326 D C 0.464 176.853 176.300 0.148 0.000 1.145 326 D CA 1.543 55.695 54.000 0.254 0.000 0.896 326 D CB -1.381 39.563 40.800 0.241 0.000 1.105 326 D HN 0.909 nan 8.370 nan 0.000 0.423 327 A N 0.291 123.175 122.820 0.106 0.000 2.343 327 A HA 0.588 4.908 4.320 -0.000 0.000 0.308 327 A C 0.080 177.682 177.584 0.029 0.000 1.092 327 A CA -0.605 51.467 52.037 0.058 0.000 0.751 327 A CB 1.274 20.300 19.000 0.043 0.000 1.203 327 A HN 0.033 nan 8.150 nan 0.000 0.452 328 Q N 2.120 121.938 119.800 0.031 0.000 2.262 328 Q HA 0.061 4.401 4.340 -0.000 0.000 0.272 328 Q C -0.266 175.746 176.000 0.019 0.000 1.076 328 Q CA 0.284 56.105 55.803 0.029 0.000 0.905 328 Q CB 0.623 29.384 28.738 0.038 0.000 1.182 328 Q HN 0.725 nan 8.270 nan 0.000 0.390 329 E N 1.673 121.875 120.200 0.004 0.000 2.565 329 E HA -0.186 4.164 4.350 -0.000 0.000 0.268 329 E C -0.271 176.340 176.600 0.018 0.000 1.000 329 E CA 0.556 56.907 56.400 -0.082 0.000 0.964 329 E CB 0.105 29.770 29.700 -0.058 0.000 0.955 329 E HN 0.652 nan 8.360 nan 0.000 0.459 330 H N -1.713 117.355 119.070 -0.004 0.000 2.958 330 H HA -0.223 4.332 4.556 -0.000 0.000 0.274 330 H C -0.103 175.225 175.328 -0.001 0.000 1.184 330 H CA 0.819 56.865 56.048 -0.004 0.000 1.143 330 H CB -2.318 27.439 29.762 -0.009 0.000 1.297 330 H HN 0.637 nan 8.280 nan 0.000 0.356 331 N N 1.190 119.921 118.700 0.050 0.000 2.453 331 N HA 0.379 5.119 4.740 -0.000 0.000 0.253 331 N C -0.096 175.432 175.510 0.029 0.000 1.252 331 N CA -0.182 52.891 53.050 0.038 0.000 0.917 331 N CB 1.363 39.862 38.487 0.020 0.000 1.117 331 N HN 0.539 nan 8.380 nan 0.000 0.442 332 K N -0.011 120.402 120.400 0.021 0.000 2.610 332 K HA 0.467 4.787 4.320 -0.000 0.000 0.278 332 K C -2.289 174.312 176.600 0.001 0.000 0.964 332 K CA -0.841 55.454 56.287 0.013 0.000 0.859 332 K CB 1.648 34.160 32.500 0.021 0.000 1.434 332 K HN 0.377 nan 8.250 nan 0.000 0.410 333 V N 2.831 122.741 119.914 -0.007 0.000 2.623 333 V HA 0.486 4.605 4.120 -0.000 0.000 0.304 333 V C -1.156 174.933 176.094 -0.008 0.000 1.054 333 V CA -0.772 61.519 62.300 -0.015 0.000 0.882 333 V CB 1.879 33.679 31.823 -0.037 0.000 1.002 333 V HN 0.521 nan 8.190 nan 0.000 0.424 334 V N 4.463 124.373 119.914 -0.006 0.000 2.483 334 V HA 0.795 4.915 4.120 -0.000 0.000 0.297 334 V C -0.042 176.051 176.094 -0.003 0.000 1.027 334 V CA -0.123 62.174 62.300 -0.006 0.000 0.855 334 V CB 2.034 33.846 31.823 -0.017 0.000 0.995 334 V HN 1.014 nan 8.190 nan 0.000 0.424 335 T N 3.143 117.707 114.554 0.016 0.000 2.787 335 T HA 0.466 4.816 4.350 -0.000 0.000 0.297 335 T C 0.239 174.946 174.700 0.011 0.000 1.221 335 T CA -0.771 61.352 62.100 0.039 0.000 1.006 335 T CB 2.664 71.585 68.868 0.088 0.000 1.328 335 T HN 0.496 nan 8.240 nan 0.000 0.509 336 K N -0.236 120.195 120.400 0.052 0.000 2.438 336 K HA 0.187 4.507 4.320 -0.000 0.000 0.206 336 K C -0.583 176.191 176.600 0.289 0.000 1.081 336 K CA -0.010 56.289 56.287 0.021 0.000 1.053 336 K CB 0.565 33.058 32.500 -0.011 0.000 0.908 336 K HN 0.478 nan 8.250 nan 0.000 0.556 337 D N -0.035 120.530 120.400 0.274 0.000 2.460 337 D HA 0.053 4.693 4.640 -0.000 0.000 0.232 337 D C 0.288 176.709 176.300 0.201 0.000 1.079 337 D CA -0.571 53.559 54.000 0.218 0.000 0.864 337 D CB 0.420 41.280 40.800 0.100 0.000 1.048 337 D HN -0.099 nan 8.370 nan 0.000 0.523 338 F N 2.401 122.328 119.950 -0.037 0.000 2.373 338 F HA -0.112 4.414 4.527 -0.000 0.000 0.300 338 F C 1.386 177.077 175.800 -0.183 0.000 1.080 338 F CA 1.112 58.924 58.000 -0.313 0.000 1.417 338 F CB 0.245 38.843 39.000 -0.670 0.000 1.070 338 F HN 0.384 nan 8.300 nan 0.000 0.546 339 D N 0.195 120.577 120.400 -0.030 0.000 2.263 339 D HA -0.159 4.481 4.640 -0.000 0.000 0.208 339 D C 2.033 178.250 176.300 -0.138 0.000 0.971 339 D CA 1.060 55.021 54.000 -0.065 0.000 0.867 339 D CB -0.185 40.605 40.800 -0.017 0.000 0.929 339 D HN 0.484 nan 8.370 nan 0.000 0.492 340 E N -0.233 119.878 120.200 -0.149 0.000 2.158 340 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 340 E C 1.929 178.381 176.600 -0.246 0.000 0.982 340 E CA 0.236 56.549 56.400 -0.145 0.000 0.823 340 E CB 0.262 29.912 29.700 -0.084 0.000 0.766 340 E HN 0.232 nan 8.360 nan 0.000 0.468 341 I N 1.101 121.403 120.570 -0.446 0.000 2.202 341 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 341 I C 2.279 178.072 176.117 -0.540 0.000 1.091 341 I CA 1.251 62.176 61.300 -0.625 0.000 1.368 341 I CB -0.956 36.259 38.000 -1.309 0.000 1.058 341 I HN 0.066 nan 8.210 nan 0.000 0.410 342 R N 0.758 120.944 120.500 -0.522 0.000 2.117 342 R HA -0.230 4.109 4.340 -0.000 0.000 0.243 342 R C 2.264 178.436 176.300 -0.213 0.000 1.143 342 R CA 1.621 57.553 56.100 -0.280 0.000 0.968 342 R CB -0.343 29.879 30.300 -0.130 0.000 0.863 342 R HN 0.353 nan 8.270 nan 0.000 0.444 343 K N 0.758 121.045 120.400 -0.188 0.000 2.057 343 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 343 K C 1.909 178.425 176.600 -0.140 0.000 1.050 343 K CA 1.258 57.465 56.287 -0.134 0.000 0.935 343 K CB 0.103 32.541 32.500 -0.103 0.000 0.715 343 K HN -0.016 nan 8.250 nan 0.000 0.439 344 V N 1.491 121.303 119.914 -0.169 0.000 2.407 344 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 344 V C 2.232 178.216 176.094 -0.184 0.000 1.055 344 V CA 1.657 63.866 62.300 -0.151 0.000 1.049 344 V CB -0.361 31.372 31.823 -0.150 0.000 0.662 344 V HN 0.311 nan 8.190 nan 0.000 0.455 345 I N -0.171 120.233 120.570 -0.276 0.000 2.202 345 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 345 I C 2.574 178.546 176.117 -0.241 0.000 1.091 345 I CA 1.678 62.744 61.300 -0.390 0.000 1.368 345 I CB -0.326 37.305 38.000 -0.614 0.000 1.058 345 I HN 0.209 nan 8.210 nan 0.000 0.410 346 K N 1.103 121.396 120.400 -0.178 0.000 2.026 346 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 346 K C 1.638 178.197 176.600 -0.068 0.000 1.048 346 K CA 1.800 58.025 56.287 -0.104 0.000 0.929 346 K CB -0.204 32.244 32.500 -0.087 0.000 0.713 346 K HN 0.190 nan 8.250 nan 0.000 0.439 347 D N 0.056 120.415 120.400 -0.069 0.000 2.219 347 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 347 D C 0.518 176.808 176.300 -0.018 0.000 0.970 347 D CA 0.830 54.807 54.000 -0.040 0.000 0.851 347 D CB -0.083 40.692 40.800 -0.041 0.000 0.943 347 D HN 0.288 nan 8.370 nan 0.000 0.488 348 N N 0.074 118.759 118.700 -0.026 0.000 2.320 348 N HA 0.187 4.927 4.740 -0.000 0.000 0.237 348 N C 0.390 175.935 175.510 0.057 0.000 1.129 348 N CA -0.042 53.019 53.050 0.018 0.000 0.854 348 N CB 1.221 39.709 38.487 0.002 0.000 1.083 348 N HN 0.007 nan 8.380 nan 0.000 0.504 349 A N 0.006 122.854 122.820 0.045 0.000 2.430 349 A HA 0.176 4.496 4.320 -0.000 0.000 0.243 349 A C 0.768 178.416 177.584 0.106 0.000 1.254 349 A CA 0.110 52.197 52.037 0.083 0.000 0.914 349 A CB 0.260 19.287 19.000 0.046 0.000 0.998 349 A HN -0.029 nan 8.150 nan 0.000 0.515 350 T N 0.236 114.837 114.554 0.077 0.000 2.875 350 T HA 0.496 4.845 4.350 -0.000 0.000 0.284 350 T C -0.983 173.705 174.700 -0.020 0.000 0.995 350 T CA -0.116 62.005 62.100 0.035 0.000 1.060 350 T CB 1.026 69.891 68.868 -0.006 0.000 0.967 350 T HN 0.260 nan 8.240 nan 0.000 0.476 351 F N 2.475 122.227 119.950 -0.331 0.000 2.403 351 F HA 0.532 5.059 4.527 -0.000 0.000 0.355 351 F C -0.348 175.176 175.800 -0.461 0.000 1.119 351 F CA -1.493 56.049 58.000 -0.763 0.000 1.007 351 F CB 0.800 39.305 39.000 -0.826 0.000 1.194 351 F HN 0.373 nan 8.300 nan 0.000 0.443 352 S N 3.950 119.364 115.700 -0.477 0.000 2.400 352 S HA 0.107 4.577 4.470 -0.000 0.000 0.295 352 S C 1.440 175.643 174.600 -0.663 0.000 1.113 352 S CA 0.163 58.091 58.200 -0.453 0.000 1.064 352 S CB 0.645 63.725 63.200 -0.201 0.000 0.990 352 S HN 0.808 nan 8.310 nan 0.000 0.502 353 T N 1.340 115.365 114.554 -0.881 0.000 2.977 353 T HA -0.068 4.282 4.350 -0.000 0.000 0.271 353 T C 1.144 175.697 174.700 -0.245 0.000 1.105 353 T CA 0.947 62.606 62.100 -0.734 0.000 1.116 353 T CB -0.178 68.377 68.868 -0.522 0.000 0.878 353 T HN 0.485 nan 8.240 nan 0.000 0.509 354 K N 0.597 120.884 120.400 -0.188 0.000 2.379 354 K HA 0.190 4.510 4.320 -0.000 0.000 0.194 354 K C -0.018 176.538 176.600 -0.074 0.000 1.031 354 K CA -0.146 56.074 56.287 -0.113 0.000 1.037 354 K CB 0.195 32.598 32.500 -0.161 0.000 0.824 354 K HN 0.316 nan 8.250 nan 0.000 0.516 355 N N 1.892 120.553 118.700 -0.066 0.000 2.487 355 N HA 0.229 4.969 4.740 -0.000 0.000 0.292 355 N C -2.539 172.978 175.510 0.013 0.000 1.108 355 N CA -1.769 51.270 53.050 -0.017 0.000 0.956 355 N CB 0.641 39.125 38.487 -0.005 0.000 1.176 355 N HN -0.075 nan 8.380 nan 0.000 0.484 356 P HA 0.168 nan 4.420 nan 0.000 0.268 356 P C -1.167 175.985 177.300 -0.246 0.000 1.208 356 P CA -0.240 62.783 63.100 -0.127 0.000 0.777 356 P CB 0.513 32.125 31.700 -0.147 0.000 0.875 357 A N 1.824 124.450 122.820 -0.323 0.000 2.435 357 A HA 0.730 5.050 4.320 -0.000 0.000 0.304 357 A C -1.523 175.808 177.584 -0.422 0.000 1.064 357 A CA -0.541 51.356 52.037 -0.233 0.000 0.727 357 A CB 1.040 20.121 19.000 0.135 0.000 1.284 357 A HN 0.447 nan 8.150 nan 0.000 0.415 358 Y N 0.710 121.137 120.300 0.212 0.000 2.524 358 Y HA 0.568 5.118 4.550 -0.000 0.000 0.344 358 Y C -2.224 173.740 175.900 0.106 0.000 1.012 358 Y CA -2.918 55.315 58.100 0.222 0.000 1.068 358 Y CB 1.312 39.838 38.460 0.110 0.000 1.249 358 Y HN 0.451 nan 8.280 nan 0.000 0.468 359 P HA 0.028 nan 4.420 nan 0.000 0.265 359 P C 0.172 177.356 177.300 -0.193 0.000 1.193 359 P CA 0.459 63.367 63.100 -0.321 0.000 0.765 359 P CB 1.377 32.942 31.700 -0.225 0.000 0.823 360 I N 0.479 120.883 120.570 -0.277 0.000 4.312 360 I HA 0.035 4.205 4.170 -0.000 0.000 0.324 360 I C 0.848 176.896 176.117 -0.115 0.000 1.298 360 I CA 0.751 61.945 61.300 -0.177 0.000 1.231 360 I CB 0.674 38.533 38.000 -0.234 0.000 1.152 360 I HN 0.499 nan 8.210 nan 0.000 0.421 361 S N -0.054 115.572 115.700 -0.123 0.000 2.636 361 S HA 0.579 5.049 4.470 -0.000 0.000 0.266 361 S C -1.285 173.370 174.600 0.093 0.000 1.147 361 S CA -0.580 57.627 58.200 0.013 0.000 0.815 361 S CB 2.203 65.375 63.200 -0.047 0.000 1.119 361 S HN 0.146 nan 8.310 nan 0.000 0.470 362 Y N -1.852 118.358 120.300 -0.151 0.000 2.741 362 Y HA 0.799 5.348 4.550 -0.000 0.000 0.339 362 Y C -1.066 174.767 175.900 -0.112 0.000 1.226 362 Y CA -0.446 57.570 58.100 -0.140 0.000 1.072 362 Y CB 0.651 39.027 38.460 -0.139 0.000 1.331 362 Y HN 1.320 nan 8.280 nan 0.000 0.453 363 T N -0.573 113.792 114.554 -0.314 0.000 2.893 363 T HA 0.858 5.208 4.350 -0.000 0.000 0.291 363 T C -0.875 173.671 174.700 -0.257 0.000 1.028 363 T CA -0.659 61.214 62.100 -0.379 0.000 0.995 363 T CB 1.809 70.559 68.868 -0.197 0.000 1.051 363 T HN 0.789 nan 8.240 nan 0.000 0.470 364 S N 0.496 116.025 115.700 -0.285 0.000 2.600 364 S HA 0.801 5.271 4.470 -0.000 0.000 0.300 364 S C -0.998 173.491 174.600 -0.186 0.000 1.087 364 S CA -0.685 57.401 58.200 -0.190 0.000 0.965 364 S CB 1.792 64.867 63.200 -0.207 0.000 1.089 364 S HN 0.763 nan 8.310 nan 0.000 0.496 365 V N 2.597 122.430 119.914 -0.134 0.000 2.604 365 V HA 0.506 4.626 4.120 -0.000 0.000 0.305 365 V C -1.079 174.987 176.094 -0.047 0.000 1.043 365 V CA -0.691 61.573 62.300 -0.058 0.000 0.888 365 V CB 1.414 33.245 31.823 0.014 0.000 0.995 365 V HN 0.816 nan 8.190 nan 0.000 0.429 366 F N 4.159 124.149 119.950 0.068 0.000 2.471 366 F HA 0.208 4.735 4.527 -0.000 0.000 0.353 366 F C 1.390 177.262 175.800 0.120 0.000 1.113 366 F CA 0.063 58.132 58.000 0.114 0.000 1.262 366 F CB 0.597 39.714 39.000 0.195 0.000 1.146 366 F HN 0.351 nan 8.300 nan 0.000 0.578 367 L N 2.250 123.673 121.223 0.334 0.000 2.156 367 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 367 L C 2.411 179.428 176.870 0.244 0.000 1.095 367 L CA 1.134 56.123 54.840 0.249 0.000 0.770 367 L CB -0.354 41.862 42.059 0.261 0.000 0.914 367 L HN 0.693 nan 8.230 nan 0.000 0.439 368 K N 0.815 121.399 120.400 0.306 0.000 1.968 368 K HA -0.222 4.097 4.320 -0.000 0.000 0.222 368 K C 1.258 177.923 176.600 0.108 0.000 1.043 368 K CA 2.172 58.570 56.287 0.185 0.000 0.991 368 K CB -0.140 32.441 32.500 0.134 0.000 0.744 368 K HN 0.334 nan 8.250 nan 0.000 0.445 369 D N -0.317 120.138 120.400 0.092 0.000 2.325 369 D HA -0.073 4.567 4.640 -0.000 0.000 0.225 369 D C 0.075 176.436 176.300 0.103 0.000 1.096 369 D CA 0.055 54.089 54.000 0.057 0.000 0.844 369 D CB -0.332 40.465 40.800 -0.004 0.000 0.925 369 D HN 0.278 nan 8.370 nan 0.000 0.513 370 N N 0.539 119.331 118.700 0.154 0.000 2.681 370 N HA -0.195 4.545 4.740 -0.000 0.000 0.250 370 N C -0.671 174.924 175.510 0.141 0.000 1.133 370 N CA 1.000 54.132 53.050 0.137 0.000 0.732 370 N CB -1.389 37.149 38.487 0.085 0.000 1.107 370 N HN 0.571 nan 8.380 nan 0.000 0.559 371 S N -1.699 114.124 115.700 0.205 0.000 2.616 371 S HA 0.552 5.022 4.470 -0.000 0.000 0.277 371 S C 0.622 175.367 174.600 0.240 0.000 1.234 371 S CA -0.743 57.576 58.200 0.198 0.000 1.028 371 S CB 2.336 65.645 63.200 0.182 0.000 0.988 371 S HN 0.067 nan 8.310 nan 0.000 0.522 372 V N 2.563 122.561 119.914 0.140 0.000 2.540 372 V HA 0.369 4.488 4.120 -0.000 0.000 0.297 372 V C 1.042 177.197 176.094 0.102 0.000 1.024 372 V CA 0.102 62.443 62.300 0.068 0.000 1.105 372 V CB -0.337 31.499 31.823 0.022 0.000 0.938 372 V HN 1.096 nan 8.190 nan 0.000 0.482 373 A N 4.940 127.718 122.820 -0.070 0.000 2.401 373 A HA 0.758 5.078 4.320 -0.000 0.000 0.259 373 A C 0.322 177.855 177.584 -0.085 0.000 1.103 373 A CA 0.187 52.137 52.037 -0.145 0.000 0.789 373 A CB 0.500 19.133 19.000 -0.613 0.000 1.035 373 A HN 1.376 nan 8.150 nan 0.000 0.491 374 A N 1.711 124.540 122.820 0.014 0.000 2.435 374 A HA 0.663 4.983 4.320 -0.000 0.000 0.304 374 A C -0.448 177.064 177.584 -0.120 0.000 1.064 374 A CA -0.448 51.520 52.037 -0.115 0.000 0.727 374 A CB 1.388 20.274 19.000 -0.190 0.000 1.284 374 A HN 1.735 nan 8.150 nan 0.000 0.415 375 V N 1.181 120.984 119.914 -0.185 0.000 2.350 375 V HA 0.412 4.532 4.120 -0.000 0.000 0.276 375 V C -0.223 175.770 176.094 -0.168 0.000 1.028 375 V CA -0.552 61.690 62.300 -0.096 0.000 0.860 375 V CB 0.386 32.164 31.823 -0.075 0.000 0.990 375 V HN 0.793 nan 8.190 nan 0.000 0.453 376 H N 4.916 123.995 119.070 0.016 0.000 2.604 376 H HA 0.380 4.936 4.556 -0.000 0.000 0.306 376 H C -0.407 174.928 175.328 0.012 0.000 1.075 376 H CA -0.041 56.017 56.048 0.017 0.000 1.357 376 H CB 1.484 31.262 29.762 0.027 0.000 1.426 376 H HN 0.796 nan 8.280 nan 0.000 0.470 377 N N 3.176 121.926 118.700 0.084 0.000 2.284 377 N HA 0.207 4.946 4.740 -0.000 0.000 0.300 377 N C -1.252 174.297 175.510 0.065 0.000 1.047 377 N CA -0.563 52.522 53.050 0.058 0.000 0.821 377 N CB 1.831 40.330 38.487 0.020 0.000 1.337 377 N HN 0.523 nan 8.380 nan 0.000 0.482 378 K N 1.475 121.910 120.400 0.060 0.000 2.507 378 K HA 0.344 4.664 4.320 -0.000 0.000 0.251 378 K C -1.567 175.069 176.600 0.059 0.000 0.943 378 K CA -0.598 55.725 56.287 0.061 0.000 0.794 378 K CB 2.192 34.726 32.500 0.055 0.000 1.188 378 K HN 0.502 nan 8.250 nan 0.000 0.428 379 T N 1.528 116.130 114.554 0.079 0.000 3.012 379 T HA 0.256 4.606 4.350 -0.000 0.000 0.330 379 T C -1.699 173.092 174.700 0.150 0.000 1.321 379 T CA -0.789 61.368 62.100 0.095 0.000 1.067 379 T CB 1.085 70.003 68.868 0.084 0.000 1.235 379 T HN 0.425 nan 8.240 nan 0.000 0.479 380 D N 2.279 122.753 120.400 0.124 0.000 2.387 380 D HA 0.674 5.314 4.640 -0.000 0.000 0.255 380 D C -0.550 175.875 176.300 0.209 0.000 1.081 380 D CA 0.309 54.368 54.000 0.097 0.000 0.994 380 D CB 1.039 41.859 40.800 0.034 0.000 1.127 380 D HN 0.689 nan 8.370 nan 0.000 0.513 381 Y N -2.762 117.538 120.300 0.000 0.000 2.662 381 Y HA 0.497 5.047 4.550 -0.000 0.000 0.334 381 Y C -1.684 174.176 175.900 -0.068 0.000 1.185 381 Y CA -1.229 56.866 58.100 -0.009 0.000 1.074 381 Y CB 0.444 38.911 38.460 0.012 0.000 1.330 381 Y HN 0.193 nan 8.280 nan 0.000 0.458 382 I N 2.593 123.172 120.570 0.015 0.000 2.342 382 I HA 0.275 4.444 4.170 -0.000 0.000 0.291 382 I C -0.214 175.779 176.117 -0.206 0.000 1.010 382 I CA -0.392 60.780 61.300 -0.213 0.000 1.308 382 I CB 1.479 39.345 38.000 -0.223 0.000 1.400 382 I HN 0.685 nan 8.210 nan 0.000 0.488 383 E N 5.017 124.956 120.200 -0.436 0.000 2.174 383 E HA 0.358 4.708 4.350 -0.000 0.000 0.282 383 E C -1.103 175.286 176.600 -0.352 0.000 0.992 383 E CA -0.412 55.634 56.400 -0.590 0.000 0.803 383 E CB 1.166 30.521 29.700 -0.574 0.000 1.090 383 E HN 0.501 nan 8.360 nan 0.000 0.396 384 T N 3.035 117.494 114.554 -0.158 0.000 2.829 384 T HA 0.422 4.772 4.350 -0.000 0.000 0.280 384 T C -0.873 173.847 174.700 0.034 0.000 0.999 384 T CA -0.703 61.373 62.100 -0.039 0.000 0.983 384 T CB 1.475 70.365 68.868 0.037 0.000 0.968 384 T HN 0.567 nan 8.240 nan 0.000 0.446 385 T N -0.114 114.423 114.554 -0.028 0.000 2.879 385 T HA 0.749 5.099 4.350 -0.000 0.000 0.290 385 T C -0.205 174.469 174.700 -0.044 0.000 0.993 385 T CA -0.888 61.202 62.100 -0.017 0.000 0.975 385 T CB 1.322 70.173 68.868 -0.029 0.000 0.981 385 T HN 0.556 nan 8.240 nan 0.000 0.439 386 S N 1.995 117.666 115.700 -0.047 0.000 2.715 386 S HA 0.924 5.394 4.470 -0.000 0.000 0.307 386 S C -0.687 173.864 174.600 -0.081 0.000 1.119 386 S CA -0.869 57.289 58.200 -0.070 0.000 0.937 386 S CB 1.792 64.946 63.200 -0.077 0.000 1.150 386 S HN 0.878 nan 8.310 nan 0.000 0.521 387 T N 0.707 115.205 114.554 -0.094 0.000 2.933 387 T HA 0.535 4.884 4.350 -0.000 0.000 0.305 387 T C -1.455 173.109 174.700 -0.227 0.000 1.092 387 T CA -0.627 61.375 62.100 -0.164 0.000 1.008 387 T CB 1.764 70.569 68.868 -0.106 0.000 1.102 387 T HN 0.755 nan 8.240 nan 0.000 0.469 388 E N 1.586 121.581 120.200 -0.342 0.000 2.145 388 E HA 0.492 4.841 4.350 -0.000 0.000 0.270 388 E C -1.423 174.943 176.600 -0.390 0.000 0.906 388 E CA -0.632 55.621 56.400 -0.245 0.000 0.761 388 E CB 0.953 30.566 29.700 -0.145 0.000 1.116 388 E HN 0.569 nan 8.360 nan 0.000 0.408 389 Y N 1.160 121.527 120.300 0.113 0.000 2.487 389 Y HA 0.416 4.966 4.550 -0.000 0.000 0.337 389 Y C 0.349 176.320 175.900 0.119 0.000 1.076 389 Y CA -0.659 57.525 58.100 0.141 0.000 1.115 389 Y CB 2.229 40.838 38.460 0.248 0.000 1.235 389 Y HN 0.329 nan 8.280 nan 0.000 0.468 390 S N 1.474 117.302 115.700 0.213 0.000 2.566 390 S HA 0.479 4.949 4.470 -0.000 0.000 0.298 390 S C -0.832 173.827 174.600 0.098 0.000 1.083 390 S CA -0.950 57.326 58.200 0.126 0.000 0.978 390 S CB 0.816 64.054 63.200 0.064 0.000 1.073 390 S HN 0.619 nan 8.310 nan 0.000 0.491 391 K N 1.116 121.553 120.400 0.062 0.000 2.336 391 K HA 0.472 4.792 4.320 -0.000 0.000 0.262 391 K C 0.385 176.979 176.600 -0.010 0.000 0.992 391 K CA 0.344 56.641 56.287 0.017 0.000 0.927 391 K CB 0.420 32.926 32.500 0.010 0.000 0.956 391 K HN 0.716 nan 8.250 nan 0.000 0.495 392 G N 0.756 109.524 108.800 -0.054 0.000 2.682 392 G HA2 0.532 4.492 3.960 -0.000 0.000 0.290 392 G HA3 0.532 4.492 3.960 -0.000 0.000 0.290 392 G C -1.802 173.023 174.900 -0.124 0.000 1.425 392 G CA -0.899 44.159 45.100 -0.070 0.000 0.807 392 G HN 0.541 nan 8.290 nan 0.000 0.482 393 K N -0.751 119.574 120.400 -0.126 0.000 2.469 393 K HA 0.729 5.049 4.320 -0.000 0.000 0.254 393 K C -1.331 175.157 176.600 -0.188 0.000 0.939 393 K CA -0.920 55.262 56.287 -0.174 0.000 0.812 393 K CB 2.774 35.189 32.500 -0.141 0.000 1.301 393 K HN 0.336 nan 8.250 nan 0.000 0.433 394 I N 2.122 122.537 120.570 -0.258 0.000 2.336 394 I HA 0.192 4.362 4.170 -0.000 0.000 0.292 394 I C -0.881 175.074 176.117 -0.271 0.000 0.991 394 I CA -0.786 60.359 61.300 -0.258 0.000 1.227 394 I CB 1.368 39.175 38.000 -0.323 0.000 1.366 394 I HN 0.629 nan 8.210 nan 0.000 0.466 395 N N 7.459 126.030 118.700 -0.216 0.000 2.469 395 N HA 0.481 5.221 4.740 -0.000 0.000 0.253 395 N C -1.180 174.208 175.510 -0.204 0.000 0.970 395 N CA -0.555 52.371 53.050 -0.207 0.000 0.940 395 N CB 1.308 39.709 38.487 -0.143 0.000 1.128 395 N HN 0.373 nan 8.380 nan 0.000 0.503 396 L N 1.563 122.622 121.223 -0.274 0.000 2.295 396 L HA 0.458 4.798 4.340 -0.000 0.000 0.285 396 L C -0.484 176.313 176.870 -0.122 0.000 1.035 396 L CA -0.546 54.152 54.840 -0.237 0.000 0.806 396 L CB 1.234 42.978 42.059 -0.524 0.000 1.214 396 L HN 0.505 nan 8.230 nan 0.000 0.426 397 D N 0.698 121.105 120.400 0.012 0.000 2.620 397 D HA 0.235 4.875 4.640 -0.000 0.000 0.252 397 D C -1.054 175.344 176.300 0.164 0.000 1.207 397 D CA -0.385 53.625 54.000 0.017 0.000 0.884 397 D CB 0.970 41.762 40.800 -0.014 0.000 1.262 397 D HN 0.386 nan 8.370 nan 0.000 0.552 398 H N 2.099 121.177 119.070 0.013 0.000 2.685 398 H HA 0.442 4.998 4.556 -0.000 0.000 0.307 398 H C -0.425 174.831 175.328 -0.121 0.000 1.017 398 H CA -0.819 55.269 56.048 0.067 0.000 1.237 398 H CB 0.951 30.861 29.762 0.246 0.000 1.409 398 H HN 0.167 nan 8.280 nan 0.000 0.488 399 S N 2.311 118.052 115.700 0.068 0.000 2.754 399 S HA 0.335 4.805 4.470 -0.000 0.000 0.247 399 S C 0.782 175.371 174.600 -0.020 0.000 1.031 399 S CA -0.150 58.004 58.200 -0.078 0.000 1.014 399 S CB -0.054 63.154 63.200 0.014 0.000 0.918 399 S HN 0.638 nan 8.310 nan 0.000 0.519 400 G N 0.646 109.422 108.800 -0.041 0.000 2.444 400 G HA2 0.556 4.516 3.960 -0.000 0.000 0.268 400 G HA3 0.556 4.516 3.960 -0.000 0.000 0.268 400 G C 0.417 175.027 174.900 -0.483 0.000 1.203 400 G CA -0.469 44.449 45.100 -0.302 0.000 0.835 400 G HN 0.641 nan 8.290 nan 0.000 0.543 401 A N 1.666 124.350 122.820 -0.227 0.000 2.958 401 A HA 0.560 4.880 4.320 -0.000 0.000 0.247 401 A C -0.336 177.267 177.584 0.033 0.000 1.679 401 A CA -0.180 51.822 52.037 -0.058 0.000 1.345 401 A CB -1.282 17.771 19.000 0.087 0.000 1.013 401 A HN 1.098 nan 8.150 nan 0.000 0.641 402 Y N -4.800 115.564 120.300 0.106 0.000 2.741 402 Y HA 0.542 5.092 4.550 -0.000 0.000 0.339 402 Y C -0.845 175.120 175.900 0.108 0.000 1.226 402 Y CA -1.818 56.315 58.100 0.056 0.000 1.072 402 Y CB 0.362 38.817 38.460 -0.009 0.000 1.331 402 Y HN -0.139 nan 8.280 nan 0.000 0.453 403 V N 1.905 121.946 119.914 0.212 0.000 2.583 403 V HA 0.797 4.917 4.120 -0.000 0.000 0.287 403 V C 0.304 176.434 176.094 0.060 0.000 1.051 403 V CA 0.348 62.716 62.300 0.114 0.000 1.010 403 V CB 0.558 32.374 31.823 -0.013 0.000 0.988 403 V HN 1.111 nan 8.190 nan 0.000 0.478 404 A N 4.520 127.323 122.820 -0.029 0.000 2.527 404 A HA 0.856 5.176 4.320 -0.000 0.000 0.293 404 A C -0.986 176.478 177.584 -0.201 0.000 1.117 404 A CA -0.751 51.153 52.037 -0.222 0.000 0.723 404 A CB 2.016 20.737 19.000 -0.465 0.000 1.313 404 A HN 0.713 nan 8.150 nan 0.000 0.411 405 Q N -0.251 119.443 119.800 -0.178 0.000 2.389 405 Q HA 0.625 4.965 4.340 -0.000 0.000 0.277 405 Q C -1.806 174.194 176.000 0.000 0.000 1.082 405 Q CA -0.351 55.488 55.803 0.059 0.000 0.810 405 Q CB 2.412 31.367 28.738 0.361 0.000 1.374 405 Q HN 0.626 nan 8.270 nan 0.000 0.422 406 F N 0.422 120.484 119.950 0.186 0.000 2.557 406 F HA 0.479 5.006 4.527 -0.000 0.000 0.336 406 F C 0.084 175.891 175.800 0.011 0.000 1.058 406 F CA -0.689 57.439 58.000 0.214 0.000 0.988 406 F CB 1.620 40.819 39.000 0.331 0.000 1.275 406 F HN 0.392 nan 8.300 nan 0.000 0.488 407 E N 1.268 121.657 120.200 0.315 0.000 2.361 407 E HA 0.517 4.867 4.350 -0.000 0.000 0.270 407 E C -2.204 174.523 176.600 0.212 0.000 0.911 407 E CA -0.287 56.150 56.400 0.062 0.000 0.818 407 E CB 1.780 31.602 29.700 0.204 0.000 1.332 407 E HN 0.422 nan 8.360 nan 0.000 0.402 408 V N 2.679 122.731 119.914 0.232 0.000 2.487 408 V HA 0.884 5.003 4.120 -0.000 0.000 0.298 408 V C -0.357 175.926 176.094 0.315 0.000 1.028 408 V CA -0.377 62.094 62.300 0.284 0.000 0.860 408 V CB 1.339 33.335 31.823 0.288 0.000 0.991 408 V HN 0.749 nan 8.190 nan 0.000 0.427 409 A N 4.537 127.555 122.820 0.330 0.000 2.587 409 A HA 1.067 5.387 4.320 -0.000 0.000 0.293 409 A C -1.632 176.173 177.584 0.368 0.000 1.087 409 A CA -0.595 51.544 52.037 0.170 0.000 0.692 409 A CB 1.948 21.030 19.000 0.136 0.000 1.291 409 A HN 1.608 nan 8.150 nan 0.000 0.407 410 W N 0.046 121.255 121.300 -0.151 0.000 2.986 410 W HA 0.672 5.332 4.660 -0.000 0.000 0.345 410 W C -2.067 174.398 176.519 -0.089 0.000 1.191 410 W CA -0.543 56.769 57.345 -0.055 0.000 1.170 410 W CB 0.434 29.861 29.460 -0.055 0.000 1.438 410 W HN 0.535 nan 8.180 nan 0.000 0.567 411 D N 0.888 121.373 120.400 0.141 0.000 2.299 411 D HA 0.360 4.999 4.640 -0.000 0.000 0.243 411 D C -1.143 175.201 176.300 0.073 0.000 0.982 411 D CA -0.598 53.419 54.000 0.030 0.000 0.924 411 D CB 2.180 43.029 40.800 0.081 0.000 1.238 411 D HN 0.461 nan 8.370 nan 0.000 0.484 412 E N 0.607 120.790 120.200 -0.028 0.000 2.165 412 E HA 0.366 4.716 4.350 -0.000 0.000 0.266 412 E C -1.015 175.503 176.600 -0.136 0.000 0.889 412 E CA -0.698 55.666 56.400 -0.060 0.000 0.756 412 E CB 2.812 32.484 29.700 -0.048 0.000 1.131 412 E HN 0.046 nan 8.360 nan 0.000 0.411 413 V N 3.010 122.788 119.914 -0.227 0.000 2.617 413 V HA 0.558 4.677 4.120 -0.000 0.000 0.298 413 V C -0.322 175.608 176.094 -0.273 0.000 1.048 413 V CA 0.113 62.254 62.300 -0.266 0.000 0.964 413 V CB 1.539 33.199 31.823 -0.272 0.000 1.004 413 V HN 0.842 nan 8.190 nan 0.000 0.466 414 S N 4.963 120.474 115.700 -0.315 0.000 2.794 414 S HA 0.763 5.233 4.470 -0.000 0.000 0.299 414 S C -1.599 172.708 174.600 -0.487 0.000 1.179 414 S CA -0.713 57.395 58.200 -0.154 0.000 0.838 414 S CB 1.757 64.950 63.200 -0.013 0.000 1.206 414 S HN 0.592 nan 8.310 nan 0.000 0.523 415 Y N 1.019 121.393 120.300 0.122 0.000 2.361 415 Y HA 0.406 4.956 4.550 -0.000 0.000 0.328 415 Y C -0.302 175.640 175.900 0.070 0.000 1.044 415 Y CA -0.936 57.218 58.100 0.090 0.000 1.085 415 Y CB 1.241 39.757 38.460 0.093 0.000 1.194 415 Y HN 0.887 nan 8.280 nan 0.000 0.438 416 D N 1.169 121.669 120.400 0.165 0.000 2.372 416 D HA 0.054 4.694 4.640 -0.000 0.000 0.243 416 D C 0.602 176.974 176.300 0.120 0.000 1.297 416 D CA -0.360 53.707 54.000 0.113 0.000 0.958 416 D CB 0.845 41.688 40.800 0.073 0.000 1.114 416 D HN 0.544 nan 8.370 nan 0.000 0.496 417 K N -0.581 119.869 120.400 0.083 0.000 2.211 417 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 417 K C 1.291 177.931 176.600 0.066 0.000 1.047 417 K CA 1.141 57.470 56.287 0.070 0.000 0.935 417 K CB -0.130 32.398 32.500 0.046 0.000 0.728 417 K HN 0.426 nan 8.250 nan 0.000 0.452 418 E N -0.153 120.088 120.200 0.069 0.000 2.502 418 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 418 E C 1.258 177.910 176.600 0.087 0.000 1.062 418 E CA 0.755 57.192 56.400 0.061 0.000 0.867 418 E CB 0.308 30.039 29.700 0.051 0.000 0.888 418 E HN 0.520 nan 8.360 nan 0.000 0.510 419 G N 1.719 110.593 108.800 0.124 0.000 2.176 419 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.253 419 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.253 419 G C 0.162 175.209 174.900 0.246 0.000 0.979 419 G CA -0.040 45.150 45.100 0.150 0.000 0.641 419 G HN 0.186 nan 8.290 nan 0.000 0.530 420 N N 1.156 119.978 118.700 0.203 0.000 2.530 420 N HA 0.302 5.042 4.740 -0.000 0.000 0.277 420 N C 0.290 175.903 175.510 0.171 0.000 1.168 420 N CA -0.016 53.141 53.050 0.179 0.000 0.979 420 N CB 0.684 39.228 38.487 0.095 0.000 1.141 420 N HN 0.508 nan 8.380 nan 0.000 0.459 421 E N 0.421 120.676 120.200 0.092 0.000 2.373 421 E HA 0.240 4.589 4.350 -0.000 0.000 0.267 421 E C -0.669 175.864 176.600 -0.112 0.000 1.032 421 E CA -0.165 56.154 56.400 -0.134 0.000 0.889 421 E CB 1.088 30.729 29.700 -0.098 0.000 0.984 421 E HN 0.159 nan 8.360 nan 0.000 0.425 422 V N 4.754 124.557 119.914 -0.185 0.000 2.577 422 V HA 0.319 4.439 4.120 -0.000 0.000 0.303 422 V C -0.435 175.585 176.094 -0.123 0.000 1.042 422 V CA -0.680 61.556 62.300 -0.106 0.000 0.872 422 V CB 1.368 33.148 31.823 -0.072 0.000 0.998 422 V HN 0.489 nan 8.190 nan 0.000 0.423 423 L N 3.802 124.979 121.223 -0.077 0.000 2.322 423 L HA 0.683 5.022 4.340 -0.000 0.000 0.281 423 L C -0.101 176.745 176.870 -0.040 0.000 1.014 423 L CA -0.280 54.523 54.840 -0.062 0.000 0.815 423 L CB 2.174 44.213 42.059 -0.033 0.000 1.247 423 L HN 0.554 nan 8.230 nan 0.000 0.421 424 T N 0.483 115.009 114.554 -0.047 0.000 2.815 424 T HA 0.238 4.588 4.350 -0.000 0.000 0.289 424 T C -0.586 174.076 174.700 -0.064 0.000 1.000 424 T CA -0.506 61.566 62.100 -0.047 0.000 0.958 424 T CB 0.537 69.366 68.868 -0.064 0.000 0.944 424 T HN 0.350 nan 8.240 nan 0.000 0.442 425 H N 3.659 122.637 119.070 -0.152 0.000 2.722 425 H HA 0.390 4.945 4.556 -0.000 0.000 0.328 425 H C 0.090 175.223 175.328 -0.326 0.000 1.067 425 H CA 0.296 56.216 56.048 -0.214 0.000 1.447 425 H CB 0.428 30.105 29.762 -0.143 0.000 1.469 425 H HN 0.285 nan 8.280 nan 0.000 0.544 426 K N 2.942 122.714 120.400 -1.046 0.000 2.340 426 K HA 0.477 4.797 4.320 -0.000 0.000 0.244 426 K C -0.729 175.076 176.600 -1.326 0.000 0.973 426 K CA -0.870 54.731 56.287 -1.143 0.000 0.828 426 K CB 2.075 33.670 32.500 -1.508 0.000 1.226 426 K HN 0.803 nan 8.250 nan 0.000 0.437 427 T N -2.871 111.154 114.554 -0.882 0.000 2.932 427 T HA 0.314 4.663 4.350 -0.000 0.000 0.318 427 T C -1.424 173.219 174.700 -0.094 0.000 1.265 427 T CA -0.861 60.967 62.100 -0.453 0.000 1.036 427 T CB 0.993 69.718 68.868 -0.238 0.000 1.209 427 T HN 0.594 nan 8.240 nan 0.000 0.484 428 W N 3.026 124.318 121.300 -0.014 0.000 2.303 428 W HA 0.365 5.025 4.660 -0.000 0.000 0.318 428 W C 0.309 176.807 176.519 -0.035 0.000 1.362 428 W CA -0.551 56.837 57.345 0.072 0.000 1.234 428 W CB 0.155 29.676 29.460 0.102 0.000 1.248 428 W HN 0.778 nan 8.180 nan 0.000 0.546 429 D N 3.234 123.432 120.400 -0.337 0.000 2.311 429 D HA -0.094 4.546 4.640 -0.000 0.000 0.212 429 D C 1.843 177.667 176.300 -0.793 0.000 0.972 429 D CA 1.442 55.181 54.000 -0.436 0.000 0.887 429 D CB -0.234 40.428 40.800 -0.230 0.000 0.915 429 D HN 0.630 nan 8.370 nan 0.000 0.497 430 G N 0.083 107.802 108.800 -1.801 0.000 3.314 430 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.238 430 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.238 430 G C 0.471 174.570 174.900 -1.335 0.000 1.184 430 G CA -0.388 43.579 45.100 -1.889 0.000 0.806 430 G HN 0.029 nan 8.290 nan 0.000 0.536 431 N N 0.817 119.020 118.700 -0.828 0.000 2.518 431 N HA 0.208 4.947 4.740 -0.000 0.000 0.266 431 N C -0.103 175.028 175.510 -0.632 0.000 1.196 431 N CA -0.249 52.396 53.050 -0.674 0.000 0.947 431 N CB 0.236 38.183 38.487 -0.900 0.000 1.098 431 N HN 0.259 nan 8.380 nan 0.000 0.450 432 Y N -1.774 118.375 120.300 -0.252 0.000 3.477 432 Y HA -0.268 4.282 4.550 -0.000 0.000 0.216 432 Y C -0.195 175.640 175.900 -0.109 0.000 1.296 432 Y CA 0.300 58.234 58.100 -0.278 0.000 1.535 432 Y CB -2.696 35.524 38.460 -0.401 0.000 1.482 432 Y HN 0.516 nan 8.280 nan 0.000 0.597 433 Q N 0.019 119.822 119.800 0.006 0.000 2.305 433 Q HA 0.371 4.711 4.340 -0.000 0.000 0.271 433 Q C -0.673 175.336 176.000 0.015 0.000 1.046 433 Q CA -1.235 54.564 55.803 -0.006 0.000 0.798 433 Q CB 1.638 30.306 28.738 -0.116 0.000 1.286 433 Q HN 0.077 nan 8.270 nan 0.000 0.435 434 D N 3.202 123.620 120.400 0.030 0.000 2.571 434 D HA 0.009 4.648 4.640 -0.000 0.000 0.231 434 D C -0.438 175.853 176.300 -0.015 0.000 1.133 434 D CA 0.810 54.819 54.000 0.015 0.000 0.862 434 D CB 0.543 41.356 40.800 0.021 0.000 1.179 434 D HN 0.065 nan 8.370 nan 0.000 0.474 435 K N 1.380 121.794 120.400 0.024 0.000 2.471 435 K HA 0.426 4.746 4.320 -0.000 0.000 0.252 435 K C 0.018 176.744 176.600 0.209 0.000 0.938 435 K CA -0.697 55.608 56.287 0.030 0.000 0.796 435 K CB 1.900 34.426 32.500 0.044 0.000 1.161 435 K HN 0.552 nan 8.250 nan 0.000 0.425 436 T N -2.364 112.256 114.554 0.110 0.000 2.905 436 T HA 0.639 4.988 4.350 -0.000 0.000 0.283 436 T C 0.124 174.708 174.700 -0.193 0.000 1.031 436 T CA -0.808 61.294 62.100 0.003 0.000 1.002 436 T CB 1.287 70.162 68.868 0.013 0.000 1.200 436 T HN 0.515 nan 8.240 nan 0.000 0.560 437 A N 2.313 124.976 122.820 -0.263 0.000 2.336 437 A HA 0.061 4.380 4.320 -0.000 0.000 0.311 437 A C 0.744 178.277 177.584 -0.086 0.000 0.919 437 A CA 1.012 52.902 52.037 -0.246 0.000 1.275 437 A CB -2.043 16.897 19.000 -0.100 0.000 0.717 437 A HN 1.410 nan 8.150 nan 0.000 0.359 438 H N -0.069 118.862 119.070 -0.232 0.000 3.418 438 H HA -0.213 4.342 4.556 -0.000 0.000 0.315 438 H C -1.175 174.192 175.328 0.066 0.000 0.904 438 H CA 1.673 57.681 56.048 -0.066 0.000 0.965 438 H CB -1.078 28.660 29.762 -0.040 0.000 1.519 438 H HN 0.962 nan 8.280 nan 0.000 0.341 439 Y N 2.830 123.114 120.300 -0.027 0.000 2.462 439 Y HA 0.576 5.126 4.550 -0.000 0.000 0.346 439 Y C -0.960 174.979 175.900 0.066 0.000 0.976 439 Y CA -0.313 57.856 58.100 0.115 0.000 1.044 439 Y CB 1.879 40.451 38.460 0.186 0.000 1.230 439 Y HN 0.418 nan 8.280 nan 0.000 0.455 440 S N 2.851 118.213 115.700 -0.564 0.000 2.548 440 S HA 0.826 5.296 4.470 -0.000 0.000 0.276 440 S C -1.244 172.955 174.600 -0.667 0.000 1.129 440 S CA -0.529 57.416 58.200 -0.424 0.000 0.931 440 S CB 1.972 65.104 63.200 -0.113 0.000 1.068 440 S HN 0.763 nan 8.310 nan 0.000 0.480 441 T N 1.482 115.742 114.554 -0.490 0.000 2.769 441 T HA 0.606 4.956 4.350 -0.000 0.000 0.306 441 T C -1.510 172.993 174.700 -0.328 0.000 1.400 441 T CA -0.468 61.393 62.100 -0.397 0.000 1.007 441 T CB 1.521 70.168 68.868 -0.369 0.000 1.392 441 T HN 0.367 nan 8.240 nan 0.000 0.500 442 V N 1.665 121.414 119.914 -0.275 0.000 2.709 442 V HA 0.616 4.736 4.120 -0.000 0.000 0.308 442 V C -1.039 174.879 176.094 -0.293 0.000 1.062 442 V CA -0.728 61.415 62.300 -0.260 0.000 0.901 442 V CB 1.916 33.640 31.823 -0.166 0.000 1.003 442 V HN 0.751 nan 8.190 nan 0.000 0.425 443 I N 5.779 126.136 120.570 -0.355 0.000 2.495 443 I HA 0.363 4.532 4.170 -0.000 0.000 0.277 443 I C -2.549 173.384 176.117 -0.307 0.000 1.045 443 I CA -1.739 59.347 61.300 -0.357 0.000 1.135 443 I CB 2.021 39.693 38.000 -0.547 0.000 1.241 443 I HN 0.433 nan 8.210 nan 0.000 0.469 444 P HA 0.262 nan 4.420 nan 0.000 0.269 444 P C -0.888 176.259 177.300 -0.256 0.000 1.209 444 P CA -0.009 62.986 63.100 -0.175 0.000 0.776 444 P CB 0.696 32.347 31.700 -0.080 0.000 0.876 445 L N 1.543 122.602 121.223 -0.273 0.000 2.370 445 L HA 0.414 4.754 4.340 -0.000 0.000 0.266 445 L C 0.512 177.288 176.870 -0.156 0.000 1.002 445 L CA -1.012 53.616 54.840 -0.352 0.000 0.818 445 L CB 1.773 43.527 42.059 -0.509 0.000 1.325 445 L HN 0.217 nan 8.230 nan 0.000 0.418 446 E N 0.814 120.965 120.200 -0.082 0.000 2.343 446 E HA 0.185 4.534 4.350 -0.000 0.000 0.269 446 E C 0.575 177.130 176.600 -0.075 0.000 1.047 446 E CA -0.055 56.321 56.400 -0.041 0.000 0.874 446 E CB 1.834 31.530 29.700 -0.007 0.000 1.033 446 E HN 0.711 nan 8.360 nan 0.000 0.409 447 A N 3.388 126.194 122.820 -0.023 0.000 2.194 447 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 447 A C 1.105 178.626 177.584 -0.105 0.000 1.162 447 A CA 1.623 53.684 52.037 0.041 0.000 0.674 447 A CB -0.554 18.563 19.000 0.195 0.000 0.789 447 A HN 0.561 nan 8.150 nan 0.000 0.470 448 N N -0.384 118.076 118.700 -0.399 0.000 2.273 448 N HA 0.359 5.099 4.740 -0.000 0.000 0.231 448 N C 0.050 175.324 175.510 -0.394 0.000 1.134 448 N CA 0.455 53.013 53.050 -0.821 0.000 0.856 448 N CB -0.325 37.228 38.487 -1.558 0.000 1.068 448 N HN 0.269 nan 8.380 nan 0.000 0.510 449 A N 0.849 123.553 122.820 -0.194 0.000 2.409 449 A HA 0.597 4.917 4.320 -0.000 0.000 0.262 449 A C 0.169 177.730 177.584 -0.037 0.000 1.113 449 A CA -0.218 51.796 52.037 -0.037 0.000 0.790 449 A CB 0.342 19.261 19.000 -0.135 0.000 1.046 449 A HN 0.403 nan 8.150 nan 0.000 0.496 450 R N 0.702 121.236 120.500 0.057 0.000 2.855 450 R HA 0.470 4.810 4.340 -0.000 0.000 0.266 450 R C -0.196 176.182 176.300 0.130 0.000 1.034 450 R CA -0.569 55.558 56.100 0.045 0.000 0.944 450 R CB 1.089 31.382 30.300 -0.011 0.000 1.219 450 R HN 0.892 nan 8.270 nan 0.000 0.474 451 N N 0.152 118.920 118.700 0.113 0.000 2.716 451 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 451 N C -0.921 174.713 175.510 0.207 0.000 1.033 451 N CA 0.176 53.317 53.050 0.151 0.000 0.727 451 N CB -1.246 37.329 38.487 0.147 0.000 0.950 451 N HN 0.361 nan 8.380 nan 0.000 0.541 452 I N 1.346 122.024 120.570 0.180 0.000 2.517 452 I HA 0.028 4.198 4.170 -0.000 0.000 0.285 452 I C 0.925 177.133 176.117 0.151 0.000 1.106 452 I CA 0.315 61.725 61.300 0.184 0.000 1.402 452 I CB 0.266 38.307 38.000 0.069 0.000 1.399 452 I HN 0.185 nan 8.210 nan 0.000 0.535 453 R N 6.673 127.270 120.500 0.162 0.000 2.575 453 R HA 0.786 5.126 4.340 -0.000 0.000 0.293 453 R C -1.517 174.810 176.300 0.045 0.000 0.983 453 R CA -0.821 55.311 56.100 0.053 0.000 0.887 453 R CB 1.625 31.947 30.300 0.037 0.000 1.184 453 R HN 0.448 nan 8.270 nan 0.000 0.445 454 I N 2.405 122.961 120.570 -0.023 0.000 2.418 454 I HA 0.420 4.590 4.170 -0.000 0.000 0.287 454 I C -0.497 175.630 176.117 0.016 0.000 1.008 454 I CA -0.650 60.670 61.300 0.034 0.000 1.104 454 I CB 1.948 39.963 38.000 0.025 0.000 1.264 454 I HN 0.622 nan 8.210 nan 0.000 0.438 455 K N 4.991 125.462 120.400 0.118 0.000 2.426 455 K HA 0.923 5.243 4.320 -0.000 0.000 0.251 455 K C -1.668 175.040 176.600 0.181 0.000 0.941 455 K CA -0.645 55.708 56.287 0.110 0.000 0.808 455 K CB 2.491 35.079 32.500 0.148 0.000 1.265 455 K HN 0.704 nan 8.250 nan 0.000 0.432 456 A N 3.279 126.112 122.820 0.023 0.000 2.427 456 A HA 0.638 4.958 4.320 -0.000 0.000 0.298 456 A C -1.432 176.045 177.584 -0.179 0.000 1.036 456 A CA -0.745 51.177 52.037 -0.192 0.000 0.701 456 A CB 1.484 20.255 19.000 -0.382 0.000 1.250 456 A HN 0.759 nan 8.150 nan 0.000 0.412 457 R N 1.008 121.416 120.500 -0.152 0.000 2.599 457 R HA 0.456 4.796 4.340 -0.000 0.000 0.295 457 R C -0.438 175.714 176.300 -0.247 0.000 0.963 457 R CA -0.547 55.444 56.100 -0.181 0.000 0.883 457 R CB 1.749 31.929 30.300 -0.200 0.000 1.171 457 R HN 0.823 nan 8.270 nan 0.000 0.450 458 E N 2.457 122.453 120.200 -0.339 0.000 2.343 458 E HA 0.063 4.412 4.350 -0.000 0.000 0.269 458 E C -0.529 175.708 176.600 -0.605 0.000 1.047 458 E CA -0.278 55.852 56.400 -0.450 0.000 0.874 458 E CB 1.031 30.340 29.700 -0.651 0.000 1.033 458 E HN 0.726 nan 8.360 nan 0.000 0.409 459 C N 3.877 122.740 119.300 -0.729 0.000 2.329 459 C HA 0.213 4.673 4.460 -0.000 0.000 0.399 459 C C 0.334 174.889 174.990 -0.725 0.000 1.323 459 C CA -0.226 58.006 59.018 -1.309 0.000 1.721 459 C CB -1.652 25.447 27.740 -1.070 0.000 2.124 459 C HN 0.354 nan 8.230 nan 0.000 0.585 460 T N 1.501 115.819 114.554 -0.393 0.000 2.743 460 T HA 0.634 4.984 4.350 -0.000 0.000 0.292 460 T C 0.527 175.369 174.700 0.236 0.000 0.972 460 T CA 0.532 62.602 62.100 -0.050 0.000 0.967 460 T CB 1.128 69.958 68.868 -0.064 0.000 0.926 460 T HN 0.817 nan 8.240 nan 0.000 0.459 461 G N 1.900 110.925 108.800 0.375 0.000 2.332 461 G HA2 0.149 4.109 3.960 -0.000 0.000 0.265 461 G HA3 0.149 4.109 3.960 -0.000 0.000 0.265 461 G C -0.060 175.078 174.900 0.397 0.000 1.329 461 G CA -0.347 45.000 45.100 0.412 0.000 0.949 461 G HN 0.626 nan 8.290 nan 0.000 0.476 462 L N -0.057 121.310 121.223 0.240 0.000 2.200 462 L HA 0.804 5.144 4.340 -0.000 0.000 0.200 462 L C 1.159 178.097 176.870 0.112 0.000 1.072 462 L CA 2.367 57.297 54.840 0.151 0.000 0.787 462 L CB -0.040 42.010 42.059 -0.014 0.000 0.957 462 L HN 1.810 nan 8.230 nan 0.000 0.459 463 A N -2.737 120.000 122.820 -0.139 0.000 2.581 463 A HA 0.164 4.484 4.320 -0.000 0.000 0.290 463 A C -0.000 176.590 177.584 -1.657 0.000 1.119 463 A CA -0.075 51.541 52.037 -0.702 0.000 0.670 463 A CB -0.918 18.022 19.000 -0.099 0.000 1.280 463 A HN 0.341 nan 8.150 nan 0.000 0.425 464 W N 0.966 121.151 121.300 -1.858 0.000 2.275 464 W HA -0.258 4.402 4.660 -0.000 0.000 0.321 464 W C 1.268 177.333 176.519 -0.757 0.000 1.269 464 W CA 2.758 59.420 57.345 -1.137 0.000 1.274 464 W CB -0.029 29.122 29.460 -0.514 0.000 1.141 464 W HN 0.858 nan 8.180 nan 0.000 0.493 465 E N -0.840 118.757 120.200 -1.005 0.000 2.267 465 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 465 E C 1.364 177.111 176.600 -1.422 0.000 0.998 465 E CA 1.423 57.007 56.400 -1.360 0.000 0.830 465 E CB -1.010 27.537 29.700 -1.921 0.000 0.751 465 E HN 0.523 nan 8.360 nan 0.000 0.491 466 W N -0.369 120.696 121.300 -0.392 0.000 2.693 466 W HA 0.180 4.840 4.660 -0.000 0.000 0.415 466 W C -0.297 176.146 176.519 -0.127 0.000 0.932 466 W CA -1.078 56.123 57.345 -0.241 0.000 2.200 466 W CB -0.150 29.198 29.460 -0.187 0.000 1.188 466 W HN -0.070 nan 8.180 nan 0.000 0.665 467 W N 1.560 122.755 121.300 -0.176 0.000 2.512 467 W HA 0.427 5.087 4.660 -0.000 0.000 0.335 467 W C 0.885 177.245 176.519 -0.265 0.000 1.088 467 W CA -2.185 55.048 57.345 -0.186 0.000 1.236 467 W CB 0.465 29.800 29.460 -0.208 0.000 1.307 467 W HN -0.337 nan 8.180 nan 0.000 0.567 468 R N 2.041 122.550 120.500 0.015 0.000 2.537 468 R HA 0.007 4.346 4.340 -0.000 0.000 0.280 468 R C -0.535 175.658 176.300 -0.178 0.000 1.058 468 R CA -0.044 55.987 56.100 -0.114 0.000 1.057 468 R CB 0.305 30.508 30.300 -0.162 0.000 0.973 468 R HN 0.278 nan 8.270 nan 0.000 0.438 469 D N 2.667 122.962 120.400 -0.175 0.000 2.308 469 D HA 0.079 4.719 4.640 -0.000 0.000 0.251 469 D C 0.602 176.789 176.300 -0.189 0.000 1.127 469 D CA -0.163 53.732 54.000 -0.175 0.000 0.876 469 D CB 1.911 42.636 40.800 -0.124 0.000 1.176 469 D HN 0.231 nan 8.370 nan 0.000 0.446 470 V N 2.872 122.664 119.914 -0.204 0.000 3.085 470 V HA 0.257 4.377 4.120 -0.000 0.000 0.245 470 V C 0.769 176.760 176.094 -0.170 0.000 1.114 470 V CA 0.210 62.375 62.300 -0.225 0.000 1.108 470 V CB 0.178 31.850 31.823 -0.251 0.000 0.798 470 V HN 0.485 nan 8.190 nan 0.000 0.471 471 I N -0.870 119.625 120.570 -0.125 0.000 2.722 471 I HA 0.540 4.710 4.170 -0.000 0.000 0.292 471 I C -1.317 174.764 176.117 -0.059 0.000 1.267 471 I CA -0.055 61.199 61.300 -0.077 0.000 1.036 471 I CB 2.279 40.251 38.000 -0.046 0.000 1.281 471 I HN -0.055 nan 8.210 nan 0.000 0.423 472 S N 6.136 121.806 115.700 -0.050 0.000 2.673 472 S HA 0.464 4.934 4.470 -0.000 0.000 0.256 472 S C -1.393 173.131 174.600 -0.126 0.000 1.141 472 S CA -0.570 57.575 58.200 -0.092 0.000 1.109 472 S CB 0.560 63.760 63.200 0.000 0.000 1.101 472 S HN 0.593 nan 8.310 nan 0.000 0.471 473 E N 2.769 122.813 120.200 -0.260 0.000 2.256 473 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 473 E C -1.527 174.831 176.600 -0.404 0.000 0.892 473 E CA -0.503 55.798 56.400 -0.165 0.000 0.775 473 E CB 1.868 31.558 29.700 -0.018 0.000 1.207 473 E HN 0.610 nan 8.360 nan 0.000 0.420 474 Y N -0.438 119.917 120.300 0.090 0.000 2.512 474 Y HA 0.164 4.714 4.550 -0.000 0.000 0.348 474 Y C -0.141 175.809 175.900 0.084 0.000 0.990 474 Y CA -0.960 57.194 58.100 0.091 0.000 1.033 474 Y CB 1.439 39.944 38.460 0.075 0.000 1.259 474 Y HN 0.435 nan 8.280 nan 0.000 0.461 475 D N 0.400 120.938 120.400 0.230 0.000 2.689 475 D HA -0.139 4.501 4.640 -0.000 0.000 0.237 475 D C -0.994 175.375 176.300 0.116 0.000 1.148 475 D CA 0.465 54.557 54.000 0.154 0.000 0.656 475 D CB -0.788 40.094 40.800 0.137 0.000 1.050 475 D HN 0.203 nan 8.370 nan 0.000 0.426 476 V N 1.623 121.604 119.914 0.113 0.000 2.479 476 V HA 0.168 4.288 4.120 -0.000 0.000 0.281 476 V C -1.255 174.875 176.094 0.060 0.000 1.031 476 V CA -0.934 61.434 62.300 0.114 0.000 1.038 476 V CB 0.583 32.488 31.823 0.136 0.000 0.981 476 V HN 0.154 nan 8.190 nan 0.000 0.478 477 P HA 0.040 nan 4.420 nan 0.000 0.265 477 P C -0.484 176.798 177.300 -0.029 0.000 1.193 477 P CA -0.342 62.724 63.100 -0.056 0.000 0.765 477 P CB 0.804 32.402 31.700 -0.170 0.000 0.823 478 L N 4.508 125.732 121.223 0.002 0.000 2.315 478 L HA 0.328 4.667 4.340 -0.000 0.000 0.283 478 L C 0.174 177.056 176.870 0.020 0.000 1.089 478 L CA 0.741 55.584 54.840 0.004 0.000 0.833 478 L CB 0.002 42.059 42.059 -0.003 0.000 1.170 478 L HN 0.544 nan 8.230 nan 0.000 0.442 479 T N 0.561 115.130 114.554 0.025 0.000 2.645 479 T HA 0.434 4.784 4.350 -0.000 0.000 0.273 479 T C 0.873 175.588 174.700 0.024 0.000 0.960 479 T CA -0.693 61.426 62.100 0.031 0.000 1.051 479 T CB 0.529 69.424 68.868 0.045 0.000 1.366 479 T HN 0.406 nan 8.240 nan 0.000 0.536 480 N N 1.365 120.080 118.700 0.024 0.000 2.069 480 N HA -0.014 4.726 4.740 -0.000 0.000 0.191 480 N C 0.057 175.563 175.510 -0.007 0.000 1.031 480 N CA 1.143 54.197 53.050 0.006 0.000 0.852 480 N CB -0.458 38.034 38.487 0.009 0.000 1.018 480 N HN 0.503 nan 8.380 nan 0.000 0.423 481 N N -0.045 118.663 118.700 0.014 0.000 2.295 481 N HA 0.350 5.089 4.740 -0.000 0.000 0.293 481 N C -1.122 174.397 175.510 0.016 0.000 1.040 481 N CA -0.343 52.701 53.050 -0.011 0.000 0.840 481 N CB 2.406 40.880 38.487 -0.022 0.000 1.468 481 N HN -0.045 nan 8.380 nan 0.000 0.478 482 I N 2.209 122.756 120.570 -0.038 0.000 2.405 482 I HA 0.240 4.410 4.170 -0.000 0.000 0.280 482 I C -0.589 175.437 176.117 -0.151 0.000 1.027 482 I CA -0.582 60.676 61.300 -0.069 0.000 1.161 482 I CB 0.643 38.627 38.000 -0.028 0.000 1.300 482 I HN 0.255 nan 8.210 nan 0.000 0.463 483 N N 5.935 124.515 118.700 -0.200 0.000 2.462 483 N HA 0.375 5.115 4.740 -0.000 0.000 0.242 483 N C -0.926 174.502 175.510 -0.137 0.000 1.010 483 N CA -0.466 52.494 53.050 -0.151 0.000 0.939 483 N CB 1.742 40.160 38.487 -0.116 0.000 1.127 483 N HN 0.177 nan 8.380 nan 0.000 0.509 484 V N 1.469 121.329 119.914 -0.090 0.000 2.398 484 V HA 0.523 4.643 4.120 -0.000 0.000 0.286 484 V C -0.162 175.967 176.094 0.058 0.000 1.026 484 V CA -0.439 61.848 62.300 -0.021 0.000 0.868 484 V CB 1.361 33.181 31.823 -0.006 0.000 0.982 484 V HN 0.662 nan 8.190 nan 0.000 0.443 485 S N 6.098 121.880 115.700 0.137 0.000 2.538 485 S HA 0.797 5.267 4.470 -0.000 0.000 0.288 485 S C -0.882 173.911 174.600 0.322 0.000 1.108 485 S CA -0.667 57.679 58.200 0.242 0.000 0.971 485 S CB 1.240 64.599 63.200 0.265 0.000 1.041 485 S HN 0.709 nan 8.310 nan 0.000 0.483 486 I N 2.366 123.122 120.570 0.310 0.000 2.608 486 I HA 1.009 5.179 4.170 -0.000 0.000 0.295 486 I C -0.761 175.572 176.117 0.360 0.000 1.049 486 I CA -0.893 60.505 61.300 0.163 0.000 1.063 486 I CB 1.429 39.458 38.000 0.047 0.000 1.248 486 I HN 0.898 nan 8.210 nan 0.000 0.424 487 W N 3.771 125.171 121.300 0.167 0.000 3.265 487 W HA 0.920 5.580 4.660 -0.000 0.000 0.413 487 W C 0.004 176.675 176.519 0.254 0.000 1.047 487 W CA -0.250 57.177 57.345 0.136 0.000 1.210 487 W CB -0.462 29.047 29.460 0.081 0.000 1.476 487 W HN 1.113 nan 8.180 nan 0.000 0.624 488 G N 0.347 109.440 108.800 0.488 0.000 2.660 488 G HA2 0.345 4.304 3.960 -0.000 0.000 0.215 488 G HA3 0.345 4.304 3.960 -0.000 0.000 0.215 488 G C -0.191 174.953 174.900 0.406 0.000 1.345 488 G CA 0.472 45.799 45.100 0.378 0.000 0.877 488 G HN 1.685 nan 8.290 nan 0.000 0.549 489 T N -4.114 110.635 114.554 0.327 0.000 2.937 489 T HA 0.685 5.035 4.350 -0.000 0.000 0.283 489 T C 1.496 176.305 174.700 0.182 0.000 1.012 489 T CA 0.877 63.157 62.100 0.299 0.000 0.997 489 T CB 1.501 70.497 68.868 0.213 0.000 1.136 489 T HN 0.996 nan 8.240 nan 0.000 0.551 490 T N 0.692 115.322 114.554 0.126 0.000 2.746 490 T HA 0.002 4.352 4.350 -0.000 0.000 0.267 490 T C 1.833 176.438 174.700 -0.158 0.000 1.039 490 T CA 1.008 63.056 62.100 -0.088 0.000 1.142 490 T CB -0.440 68.420 68.868 -0.013 0.000 0.866 490 T HN 0.423 nan 8.240 nan 0.000 0.444 491 L N -0.986 120.204 121.223 -0.055 0.000 2.072 491 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 491 L C 0.125 176.765 176.870 -0.384 0.000 1.079 491 L CA 1.328 56.080 54.840 -0.147 0.000 0.752 491 L CB 0.033 42.130 42.059 0.063 0.000 0.906 491 L HN 0.335 nan 8.230 nan 0.000 0.436 492 Y N -0.494 119.774 120.300 -0.052 0.000 2.705 492 Y HA 0.322 4.871 4.550 -0.000 0.000 0.355 492 Y C -2.202 173.653 175.900 -0.075 0.000 1.039 492 Y CA -2.556 55.510 58.100 -0.056 0.000 1.233 492 Y CB 0.465 38.922 38.460 -0.006 0.000 1.103 492 Y HN 0.026 nan 8.280 nan 0.000 0.624 493 P HA 0.429 nan 4.420 nan 0.000 0.277 493 P C 0.235 177.367 177.300 -0.279 0.000 1.271 493 P CA -0.231 62.763 63.100 -0.177 0.000 0.795 493 P CB 1.319 32.775 31.700 -0.407 0.000 1.101 494 G N -1.207 107.209 108.800 -0.641 0.000 2.672 494 G HA2 0.652 4.612 3.960 -0.000 0.000 0.292 494 G HA3 0.652 4.612 3.960 -0.000 0.000 0.292 494 G C -1.411 172.580 174.900 -1.516 0.000 1.375 494 G CA -0.571 43.858 45.100 -1.117 0.000 0.890 494 G HN 0.728 nan 8.290 nan 0.000 0.476 495 S N -1.254 113.660 115.700 -1.310 0.000 2.611 495 S HA 0.849 5.319 4.470 -0.000 0.000 0.270 495 S C -0.771 173.750 174.600 -0.132 0.000 1.131 495 S CA 0.180 57.954 58.200 -0.710 0.000 0.826 495 S CB 1.386 64.393 63.200 -0.322 0.000 1.095 495 S HN 2.176 nan 8.310 nan 0.000 0.461 496 S N 0.944 116.721 115.700 0.129 0.000 2.565 496 S HA 0.772 5.242 4.470 -0.000 0.000 0.269 496 S C -1.370 173.266 174.600 0.059 0.000 1.153 496 S CA -0.853 57.444 58.200 0.162 0.000 0.835 496 S CB 1.277 64.659 63.200 0.303 0.000 1.122 496 S HN 1.631 nan 8.310 nan 0.000 0.462 497 I N 1.386 121.938 120.570 -0.030 0.000 2.512 497 I HA 0.630 4.800 4.170 -0.000 0.000 0.287 497 I C -1.258 174.639 176.117 -0.367 0.000 1.069 497 I CA 0.043 61.228 61.300 -0.192 0.000 1.056 497 I CB 1.759 39.650 38.000 -0.183 0.000 1.229 497 I HN 0.834 nan 8.210 nan 0.000 0.429 498 T N 5.408 119.690 114.554 -0.453 0.000 2.940 498 T HA 0.657 5.007 4.350 -0.000 0.000 0.288 498 T C -1.451 172.839 174.700 -0.682 0.000 1.045 498 T CA -0.386 61.459 62.100 -0.424 0.000 1.018 498 T CB 1.421 70.196 68.868 -0.154 0.000 1.151 498 T HN 0.424 nan 8.240 nan 0.000 0.529 499 Y N -0.097 120.204 120.300 0.002 0.000 2.553 499 Y HA 0.595 5.144 4.550 -0.000 0.000 0.347 499 Y C 0.264 176.158 175.900 -0.009 0.000 1.019 499 Y CA -1.116 56.980 58.100 -0.007 0.000 1.032 499 Y CB 1.898 40.356 38.460 -0.003 0.000 1.284 499 Y HN 0.493 nan 8.280 nan 0.000 0.466 500 N N 0.000 118.790 118.700 0.150 0.000 1.763 500 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 500 N CA 0.000 53.094 53.050 0.074 0.000 0.885 500 N CB 0.000 38.507 38.487 0.032 0.000 1.341 500 N HN 0.000 nan 8.380 nan 0.000 0.667