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 2ffu_1_A DATA FIRST_RESID 75 DATA SEQUENCE KVRWPDFNQE AYVGGTMVRS GQDPYARNKF NQVESDKLRM DRAIPDTRHD DATA SEQUENCE QcQRKQWRVD LPATSVVITF HNEARSALLR TVVSVLKKSP PHLIKEIILV DATA SEQUENCE DDYSNDPEDG ALLGKIEKVR VLRNDRREGL MRSRVRGADA AQAKVLTFLD DATA SEQUENCE SHCECNEHWL EPLLERVAED RTRVVSPIID VINMDNFQYV GASADLKGGF DATA SEQUENCE DWNLVFKWDY MTPEQRRSRQ GNPVAPIKTP MIAGGLFVMD KFYFEELGKY DATA SEQUENCE DMMMDVWGGE NLEISFRVWQ cGGSLEIIPc SRVGHVFRKQ HPYTFPGGSG DATA SEQUENCE TVFARNTRRA AEVWMDEYKN FYYAAVPSAR NVPYGNIQSR LELRKKLScK DATA SEQUENCE PFKWYLENVY PELRVPDHQD IAFGALQQGT NcLDTLGHFA DGVVGVYEcH DATA SEQUENCE NAGGNQEWAL TKEKSVKHMD LcLTVVDRAP GSLIKLQGcR ENDSRQKWEQ DATA SEQUENCE IEGNSKLRHV GSNLcLDSRT AKSGGLSVEV cGPALSQQWK FTLN 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 75 K HA 0.000 nan 4.320 nan 0.000 0.191 75 K C 0.000 176.619 176.600 0.032 0.000 0.988 75 K CA 0.000 56.305 56.287 0.029 0.000 0.838 75 K CB 0.000 32.515 32.500 0.025 0.000 1.064 76 V N -1.180 118.765 119.914 0.053 0.000 2.581 76 V HA 0.631 4.756 4.120 0.009 0.000 0.303 76 V C 0.164 176.290 176.094 0.054 0.000 1.041 76 V CA -1.045 61.288 62.300 0.055 0.000 0.907 76 V CB 1.623 33.504 31.823 0.098 0.000 0.994 76 V HN 0.601 nan 8.190 nan 0.000 0.442 77 R N 4.146 124.647 120.500 0.002 0.000 2.543 77 R HA 0.144 4.489 4.340 0.009 0.000 0.277 77 R C 1.403 177.684 176.300 -0.031 0.000 1.074 77 R CA 0.234 56.307 56.100 -0.045 0.000 1.076 77 R CB 0.626 30.836 30.300 -0.150 0.000 0.993 77 R HN 1.046 nan 8.270 nan 0.000 0.459 78 W N 3.302 124.606 121.300 0.007 0.000 2.325 78 W HA -0.088 4.578 4.660 0.010 0.000 0.299 78 W C -1.418 175.135 176.519 0.057 0.000 1.215 78 W CA 0.895 58.245 57.345 0.009 0.000 1.244 78 W CB -1.774 27.655 29.460 -0.051 0.000 1.140 78 W HN 0.439 nan 8.180 nan 0.000 0.523 79 P HA -0.108 nan 4.420 nan 0.000 0.222 79 P C 0.898 178.094 177.300 -0.174 0.000 1.147 79 P CA 1.997 64.714 63.100 -0.638 0.000 0.790 79 P CB -0.229 30.925 31.700 -0.911 0.000 0.780 80 D N -2.101 118.235 120.400 -0.106 0.000 2.349 80 D HA 0.040 4.685 4.640 0.009 0.000 0.214 80 D C 0.301 176.629 176.300 0.047 0.000 1.063 80 D CA -0.128 53.852 54.000 -0.033 0.000 0.847 80 D CB -0.285 40.483 40.800 -0.053 0.000 0.933 80 D HN 0.187 nan 8.370 nan 0.000 0.513 81 F N 2.194 122.140 119.950 -0.007 0.000 2.538 81 F HA 0.050 4.582 4.527 0.009 0.000 0.371 81 F C 0.888 176.697 175.800 0.016 0.000 1.087 81 F CA -0.547 57.457 58.000 0.006 0.000 1.250 81 F CB 0.526 39.538 39.000 0.020 0.000 1.110 81 F HN -0.293 nan 8.300 nan 0.000 0.570 82 N N 5.775 124.038 118.700 -0.729 0.000 2.671 82 N HA -0.036 4.709 4.740 0.009 0.000 0.274 82 N C 0.962 176.221 175.510 -0.418 0.000 1.188 82 N CA 0.079 52.856 53.050 -0.454 0.000 1.065 82 N CB 0.312 38.573 38.487 -0.377 0.000 1.415 82 N HN 0.856 nan 8.380 nan 0.000 0.511 83 Q N 1.133 120.904 119.800 -0.049 0.000 2.124 83 Q HA -0.164 4.181 4.340 0.009 0.000 0.202 83 Q C 0.531 176.607 176.000 0.127 0.000 0.977 83 Q CA 1.288 57.209 55.803 0.196 0.000 0.850 83 Q CB -0.047 28.843 28.738 0.252 0.000 0.901 83 Q HN 0.305 nan 8.270 nan 0.000 0.429 84 E N 1.880 122.102 120.200 0.036 0.000 2.051 84 E HA -0.142 4.214 4.350 0.009 0.000 0.192 84 E C 2.080 178.682 176.600 0.003 0.000 0.991 84 E CA 1.712 58.121 56.400 0.015 0.000 0.799 84 E CB -0.401 29.294 29.700 -0.007 0.000 0.748 84 E HN 0.542 nan 8.360 nan 0.000 0.449 85 A N 0.032 122.837 122.820 -0.024 0.000 1.898 85 A HA -0.188 4.137 4.320 0.009 0.000 0.216 85 A C 2.137 179.739 177.584 0.030 0.000 1.181 85 A CA 1.437 53.460 52.037 -0.024 0.000 0.620 85 A CB -0.811 18.149 19.000 -0.067 0.000 0.819 85 A HN 0.381 nan 8.150 nan 0.000 0.442 86 Y N 0.713 120.970 120.300 -0.071 0.000 2.089 86 Y HA -0.178 4.377 4.550 0.009 0.000 0.282 86 Y C 2.362 178.287 175.900 0.041 0.000 1.139 86 Y CA 2.131 60.248 58.100 0.030 0.000 1.123 86 Y CB -0.522 38.056 38.460 0.198 0.000 0.980 86 Y HN 0.050 nan 8.280 nan 0.000 0.493 87 V N 0.137 120.030 119.914 -0.034 0.000 2.548 87 V HA -0.172 3.954 4.120 0.009 0.000 0.249 87 V C 2.606 178.629 176.094 -0.118 0.000 1.055 87 V CA 1.666 63.879 62.300 -0.146 0.000 1.065 87 V CB -1.513 30.302 31.823 -0.013 0.000 0.681 87 V HN 0.634 nan 8.190 nan 0.000 0.462 88 G N 0.470 109.232 108.800 -0.063 0.000 2.462 88 G HA2 -0.177 3.789 3.960 0.009 0.000 0.220 88 G HA3 -0.177 3.789 3.960 0.009 0.000 0.220 88 G C 1.452 176.310 174.900 -0.069 0.000 1.121 88 G CA 0.852 45.919 45.100 -0.056 0.000 0.758 88 G HN 0.614 nan 8.290 nan 0.000 0.559 89 G N -0.405 108.342 108.800 -0.089 0.000 2.956 89 G HA2 0.239 4.205 3.960 0.009 0.000 0.207 89 G HA3 0.239 4.205 3.960 0.009 0.000 0.207 89 G C 1.090 175.933 174.900 -0.095 0.000 1.162 89 G CA 1.455 46.506 45.100 -0.082 0.000 0.796 89 G HN 0.701 nan 8.290 nan 0.000 0.527 90 T N -3.449 111.038 114.554 -0.112 0.000 3.488 90 T HA 0.390 4.745 4.350 0.009 0.000 0.312 90 T C 0.619 175.265 174.700 -0.091 0.000 0.931 90 T CA -0.514 61.523 62.100 -0.104 0.000 0.982 90 T CB -0.354 68.434 68.868 -0.134 0.000 1.198 90 T HN 0.031 nan 8.240 nan 0.000 0.545 91 M N 1.863 121.415 119.600 -0.080 0.000 2.245 91 M HA 0.303 4.788 4.480 0.009 0.000 0.330 91 M C 0.183 176.446 176.300 -0.063 0.000 1.098 91 M CA -0.361 54.896 55.300 -0.072 0.000 1.172 91 M CB 0.906 33.468 32.600 -0.062 0.000 1.467 91 M HN -0.014 nan 8.290 nan 0.000 0.454 92 V N 3.650 123.525 119.914 -0.064 0.000 2.529 92 V HA 0.063 4.189 4.120 0.009 0.000 0.292 92 V C 0.720 176.788 176.094 -0.044 0.000 1.028 92 V CA 0.024 62.290 62.300 -0.057 0.000 1.074 92 V CB -0.090 31.693 31.823 -0.066 0.000 0.958 92 V HN 0.746 nan 8.190 nan 0.000 0.481 93 R N 2.863 123.342 120.500 -0.036 0.000 2.582 93 R HA 0.267 4.612 4.340 0.009 0.000 0.271 93 R C 0.384 176.671 176.300 -0.022 0.000 1.078 93 R CA -0.413 55.671 56.100 -0.027 0.000 1.127 93 R CB 0.491 30.777 30.300 -0.023 0.000 1.038 93 R HN 0.702 nan 8.270 nan 0.000 0.500 94 S N 0.767 116.456 115.700 -0.018 0.000 2.546 94 S HA 0.169 4.644 4.470 0.009 0.000 0.290 94 S C 1.271 175.867 174.600 -0.008 0.000 1.290 94 S CA 0.857 59.050 58.200 -0.012 0.000 1.069 94 S CB 0.896 64.090 63.200 -0.010 0.000 0.846 94 S HN 0.913 nan 8.310 nan 0.000 0.495 95 G N 2.176 110.974 108.800 -0.003 0.000 2.241 95 G HA2 -0.198 3.768 3.960 0.009 0.000 0.244 95 G HA3 -0.198 3.768 3.960 0.009 0.000 0.244 95 G C -0.023 174.879 174.900 0.004 0.000 0.998 95 G CA -0.256 44.845 45.100 0.002 0.000 0.621 95 G HN 0.589 nan 8.290 nan 0.000 0.519 96 Q N 0.916 120.714 119.800 -0.002 0.000 2.259 96 Q HA 0.385 4.730 4.340 0.009 0.000 0.246 96 Q C -0.353 175.650 176.000 0.005 0.000 0.920 96 Q CA -0.559 55.243 55.803 -0.002 0.000 0.895 96 Q CB 1.213 29.943 28.738 -0.013 0.000 1.220 96 Q HN 0.348 nan 8.270 nan 0.000 0.439 97 D N 3.239 123.650 120.400 0.018 0.000 2.412 97 D HA 0.006 4.651 4.640 0.009 0.000 0.257 97 D C -1.469 174.841 176.300 0.016 0.000 1.217 97 D CA -1.317 52.712 54.000 0.048 0.000 0.897 97 D CB 0.813 41.651 40.800 0.063 0.000 1.132 97 D HN 0.210 nan 8.370 nan 0.000 0.493 98 P HA -0.076 nan 4.420 nan 0.000 0.242 98 P C 0.302 177.409 177.300 -0.322 0.000 1.197 98 P CA 0.642 63.638 63.100 -0.173 0.000 0.765 98 P CB 0.051 31.612 31.700 -0.232 0.000 0.936 99 Y N -0.850 119.444 120.300 -0.011 0.000 2.430 99 Y HA 0.379 4.936 4.550 0.011 0.000 0.248 99 Y C 2.620 178.475 175.900 -0.076 0.000 1.108 99 Y CA 0.278 58.359 58.100 -0.030 0.000 1.264 99 Y CB -0.605 37.852 38.460 -0.004 0.000 1.172 99 Y HN -0.093 nan 8.280 nan 0.000 0.520 100 A N 1.047 123.903 122.820 0.060 0.000 1.873 100 A HA -0.249 4.076 4.320 0.009 0.000 0.218 100 A C 2.206 179.765 177.584 -0.042 0.000 1.193 100 A CA 2.106 54.150 52.037 0.011 0.000 0.629 100 A CB -0.444 18.558 19.000 0.005 0.000 0.826 100 A HN 0.405 nan 8.150 nan 0.000 0.447 101 R N -1.111 119.337 120.500 -0.086 0.000 2.093 101 R HA -0.029 4.316 4.340 0.009 0.000 0.224 101 R C 0.981 177.166 176.300 -0.191 0.000 1.101 101 R CA 1.595 57.625 56.100 -0.117 0.000 0.979 101 R CB -0.207 30.021 30.300 -0.120 0.000 0.877 101 R HN 0.674 nan 8.270 nan 0.000 0.441 102 N N -0.676 117.818 118.700 -0.343 0.000 2.181 102 N HA 0.068 4.814 4.740 0.009 0.000 0.207 102 N C -0.462 174.741 175.510 -0.511 0.000 1.182 102 N CA -0.215 52.467 53.050 -0.614 0.000 0.893 102 N CB 0.890 38.501 38.487 -1.460 0.000 1.032 102 N HN -0.174 nan 8.380 nan 0.000 0.513 103 K N -0.014 120.253 120.400 -0.221 0.000 3.230 103 K HA -0.158 4.168 4.320 0.009 0.000 0.285 103 K C -1.020 175.687 176.600 0.178 0.000 1.196 103 K CA 0.852 57.133 56.287 -0.011 0.000 0.838 103 K CB -2.179 30.281 32.500 -0.067 0.000 1.262 103 K HN 0.484 nan 8.250 nan 0.000 0.492 104 F N -2.380 117.689 119.950 0.199 0.000 2.668 104 F HA 0.475 5.008 4.527 0.010 0.000 0.309 104 F C -0.269 175.521 175.800 -0.016 0.000 1.117 104 F CA -1.923 56.208 58.000 0.218 0.000 0.951 104 F CB 0.667 39.746 39.000 0.131 0.000 1.323 104 F HN -0.168 nan 8.300 nan 0.000 0.451 105 N N 2.508 121.357 118.700 0.249 0.000 2.406 105 N HA -0.012 4.734 4.740 0.009 0.000 0.265 105 N C 0.625 176.169 175.510 0.057 0.000 1.203 105 N CA 0.486 53.377 53.050 -0.265 0.000 0.945 105 N CB 1.073 39.430 38.487 -0.217 0.000 1.165 105 N HN 0.983 nan 8.380 nan 0.000 0.485 106 Q N 3.056 122.822 119.800 -0.056 0.000 2.172 106 Q HA -0.063 4.283 4.340 0.009 0.000 0.200 106 Q C 1.309 177.227 176.000 -0.136 0.000 0.964 106 Q CA 0.889 56.677 55.803 -0.025 0.000 0.855 106 Q CB 0.422 29.118 28.738 -0.070 0.000 0.918 106 Q HN 0.528 nan 8.270 nan 0.000 0.444 107 V N 1.405 121.229 119.914 -0.149 0.000 2.343 107 V HA -0.235 3.891 4.120 0.009 0.000 0.247 107 V C 2.147 178.148 176.094 -0.154 0.000 1.051 107 V CA 1.866 64.089 62.300 -0.128 0.000 1.036 107 V CB -0.408 31.356 31.823 -0.099 0.000 0.654 107 V HN 0.355 nan 8.190 nan 0.000 0.451 108 E N -0.342 119.752 120.200 -0.177 0.000 2.152 108 E HA -0.138 4.217 4.350 0.009 0.000 0.192 108 E C 2.460 178.763 176.600 -0.495 0.000 0.983 108 E CA 1.374 57.652 56.400 -0.202 0.000 0.818 108 E CB -0.390 29.295 29.700 -0.025 0.000 0.758 108 E HN 0.542 nan 8.360 nan 0.000 0.467 109 S N 1.028 116.216 115.700 -0.854 0.000 2.368 109 S HA -0.138 4.337 4.470 0.009 0.000 0.224 109 S C 1.333 175.665 174.600 -0.447 0.000 1.029 109 S CA 1.179 58.710 58.200 -1.115 0.000 0.988 109 S CB -0.034 62.551 63.200 -1.026 0.000 0.838 109 S HN 0.056 nan 8.310 nan 0.000 0.462 110 D N 0.972 121.206 120.400 -0.276 0.000 2.264 110 D HA 0.012 4.658 4.640 0.009 0.000 0.208 110 D C 1.863 178.095 176.300 -0.114 0.000 0.966 110 D CA 0.752 54.663 54.000 -0.149 0.000 0.864 110 D CB -0.126 40.607 40.800 -0.111 0.000 0.933 110 D HN 0.480 nan 8.370 nan 0.000 0.499 111 K N -0.200 120.121 120.400 -0.132 0.000 2.217 111 K HA 0.053 4.378 4.320 0.009 0.000 0.202 111 K C 0.688 177.252 176.600 -0.060 0.000 1.051 111 K CA 0.217 56.456 56.287 -0.080 0.000 0.952 111 K CB 0.256 32.714 32.500 -0.069 0.000 0.736 111 K HN 0.139 nan 8.250 nan 0.000 0.453 112 L N 1.899 123.071 121.223 -0.086 0.000 2.397 112 L HA 0.137 4.482 4.340 0.009 0.000 0.271 112 L C 0.408 177.268 176.870 -0.017 0.000 1.148 112 L CA -0.377 54.436 54.840 -0.046 0.000 0.825 112 L CB 0.634 42.660 42.059 -0.054 0.000 1.117 112 L HN 0.033 nan 8.230 nan 0.000 0.456 113 R N 2.437 122.942 120.500 0.008 0.000 2.582 113 R HA 0.124 4.469 4.340 0.009 0.000 0.271 113 R C 1.375 177.695 176.300 0.032 0.000 1.078 113 R CA -0.319 55.801 56.100 0.034 0.000 1.127 113 R CB 0.768 31.096 30.300 0.047 0.000 1.038 113 R HN 0.702 nan 8.270 nan 0.000 0.500 114 M N 0.308 119.945 119.600 0.061 0.000 2.358 114 M HA -0.094 4.391 4.480 0.009 0.000 0.264 114 M C 0.024 176.301 176.300 -0.038 0.000 1.064 114 M CA 1.646 56.964 55.300 0.029 0.000 1.093 114 M CB -0.058 32.593 32.600 0.085 0.000 1.401 114 M HN 0.429 nan 8.290 nan 0.000 0.440 115 D N 0.992 121.401 120.400 0.015 0.000 2.593 115 D HA 0.126 4.771 4.640 0.009 0.000 0.241 115 D C -0.192 176.104 176.300 -0.007 0.000 1.257 115 D CA -0.543 53.438 54.000 -0.031 0.000 0.828 115 D CB -0.466 40.407 40.800 0.122 0.000 1.049 115 D HN 0.509 nan 8.370 nan 0.000 0.490 116 R N 0.385 120.879 120.500 -0.010 0.000 2.638 116 R HA 0.362 4.708 4.340 0.009 0.000 0.268 116 R C 0.172 176.450 176.300 -0.037 0.000 1.006 116 R CA -0.254 55.842 56.100 -0.007 0.000 1.088 116 R CB 0.213 30.514 30.300 0.002 0.000 0.950 116 R HN -0.004 nan 8.270 nan 0.000 0.419 117 A N 4.687 127.489 122.820 -0.029 0.000 2.425 117 A HA 0.465 4.790 4.320 0.009 0.000 0.249 117 A C 0.406 177.932 177.584 -0.097 0.000 1.084 117 A CA -0.641 51.361 52.037 -0.057 0.000 0.781 117 A CB -0.121 18.860 19.000 -0.031 0.000 1.019 117 A HN 0.818 nan 8.150 nan 0.000 0.490 118 I N -0.263 120.199 120.570 -0.179 0.000 2.828 118 I HA 0.660 4.836 4.170 0.009 0.000 0.302 118 I C -2.485 173.466 176.117 -0.276 0.000 1.101 118 I CA -2.571 58.542 61.300 -0.312 0.000 1.031 118 I CB 2.123 39.707 38.000 -0.694 0.000 1.231 118 I HN 0.439 nan 8.210 nan 0.000 0.427 119 P HA 0.078 nan 4.420 nan 0.000 0.271 119 P C -1.039 176.197 177.300 -0.106 0.000 1.218 119 P CA 0.049 63.089 63.100 -0.101 0.000 0.780 119 P CB 0.832 32.533 31.700 0.002 0.000 0.901 120 D N 1.840 122.221 120.400 -0.032 0.000 2.374 120 D HA 0.046 4.692 4.640 0.009 0.000 0.240 120 D C 1.005 177.338 176.300 0.056 0.000 1.229 120 D CA -0.043 53.964 54.000 0.011 0.000 0.895 120 D CB 0.348 41.168 40.800 0.033 0.000 1.046 120 D HN 0.294 nan 8.370 nan 0.000 0.498 121 T N 0.812 115.425 114.554 0.100 0.000 3.129 121 T HA 0.153 4.509 4.350 0.009 0.000 0.251 121 T C 1.038 175.808 174.700 0.118 0.000 1.117 121 T CA -0.265 61.911 62.100 0.128 0.000 1.034 121 T CB 0.143 69.136 68.868 0.208 0.000 0.968 121 T HN 0.175 nan 8.240 nan 0.000 0.526 122 R N 1.572 122.146 120.500 0.123 0.000 2.641 122 R HA 0.208 4.553 4.340 0.009 0.000 0.269 122 R C 0.469 176.852 176.300 0.139 0.000 1.074 122 R CA -0.625 55.563 56.100 0.145 0.000 1.133 122 R CB 0.234 30.631 30.300 0.162 0.000 1.029 122 R HN 0.376 nan 8.270 nan 0.000 0.488 123 H N 1.880 120.991 119.070 0.070 0.000 2.790 123 H HA -0.065 4.496 4.556 0.009 0.000 0.358 123 H C 0.274 175.634 175.328 0.054 0.000 1.103 123 H CA 0.233 56.313 56.048 0.054 0.000 1.426 123 H CB 0.936 30.726 29.762 0.048 0.000 1.424 123 H HN 0.585 nan 8.280 nan 0.000 0.599 124 D N 2.922 123.306 120.400 -0.027 0.000 2.182 124 D HA -0.172 4.474 4.640 0.009 0.000 0.201 124 D C 1.740 178.162 176.300 0.204 0.000 0.986 124 D CA 1.221 55.267 54.000 0.077 0.000 0.847 124 D CB 0.106 40.895 40.800 -0.019 0.000 0.942 124 D HN 0.653 nan 8.370 nan 0.000 0.467 125 Q N -0.428 119.623 119.800 0.419 0.000 2.437 125 Q HA -0.067 4.278 4.340 0.009 0.000 0.210 125 Q C 2.201 178.272 176.000 0.118 0.000 0.972 125 Q CA 0.397 56.318 55.803 0.196 0.000 0.903 125 Q CB -0.023 28.768 28.738 0.089 0.000 0.967 125 Q HN 0.344 nan 8.270 nan 0.000 0.486 126 c N 0.590 119.284 118.600 0.156 0.000 2.425 126 c HA -0.122 4.454 4.570 0.009 0.000 0.277 126 c C 2.185 176.337 174.090 0.103 0.000 1.280 126 c CA 0.589 56.998 56.329 0.134 0.000 1.744 126 c CB -0.584 42.030 42.510 0.174 0.000 1.989 126 c HN 0.507 nan 8.230 nan 0.000 0.491 127 Q N -0.063 119.791 119.800 0.089 0.000 2.500 127 Q HA -0.055 4.290 4.340 0.009 0.000 0.213 127 Q C 2.166 178.149 176.000 -0.028 0.000 0.974 127 Q CA 0.766 56.596 55.803 0.045 0.000 0.918 127 Q CB -0.303 28.471 28.738 0.060 0.000 0.980 127 Q HN 0.647 nan 8.270 nan 0.000 0.505 128 R N -0.521 119.965 120.500 -0.024 0.000 2.373 128 R HA 0.103 4.448 4.340 0.009 0.000 0.221 128 R C -0.280 175.959 176.300 -0.102 0.000 0.893 128 R CA -0.069 55.992 56.100 -0.064 0.000 1.049 128 R CB 0.601 30.884 30.300 -0.027 0.000 1.119 128 R HN -0.121 nan 8.270 nan 0.000 0.535 129 K N 1.762 122.117 120.400 -0.075 0.000 2.350 129 K HA 0.114 4.439 4.320 0.009 0.000 0.279 129 K C -0.202 176.258 176.600 -0.232 0.000 1.027 129 K CA 0.122 56.364 56.287 -0.074 0.000 0.969 129 K CB 1.180 33.699 32.500 0.033 0.000 0.954 129 K HN 0.106 nan 8.250 nan 0.000 0.474 130 Q N 1.328 120.987 119.800 -0.235 0.000 2.306 130 Q HA 0.544 4.890 4.340 0.009 0.000 0.269 130 Q C -0.427 175.460 176.000 -0.189 0.000 1.053 130 Q CA -0.636 54.891 55.803 -0.461 0.000 0.879 130 Q CB 1.579 30.104 28.738 -0.356 0.000 1.344 130 Q HN 0.638 nan 8.270 nan 0.000 0.464 131 W N -0.789 120.484 121.300 -0.045 0.000 3.062 131 W HA 0.594 5.260 4.660 0.010 0.000 0.336 131 W C -0.364 176.137 176.519 -0.030 0.000 1.224 131 W CA -1.230 56.091 57.345 -0.039 0.000 1.159 131 W CB 0.360 29.790 29.460 -0.050 0.000 1.454 131 W HN 0.563 nan 8.180 nan 0.000 0.569 132 R N 0.611 121.264 120.500 0.254 0.000 2.694 132 R HA 0.322 4.668 4.340 0.009 0.000 0.268 132 R C 0.057 176.493 176.300 0.227 0.000 1.061 132 R CA -0.293 55.901 56.100 0.156 0.000 1.133 132 R CB 0.828 31.188 30.300 0.101 0.000 1.020 132 R HN 0.572 nan 8.270 nan 0.000 0.475 133 V N 0.814 120.810 119.914 0.137 0.000 2.488 133 V HA -0.165 3.961 4.120 0.009 0.000 0.246 133 V C 0.910 177.088 176.094 0.139 0.000 1.046 133 V CA 1.912 64.300 62.300 0.147 0.000 1.053 133 V CB -0.794 31.071 31.823 0.070 0.000 0.679 133 V HN 0.951 nan 8.190 nan 0.000 0.458 134 D N 1.106 121.561 120.400 0.093 0.000 2.934 134 D HA 0.116 4.761 4.640 0.009 0.000 0.237 134 D C 0.054 176.390 176.300 0.060 0.000 1.158 134 D CA -0.031 54.013 54.000 0.072 0.000 0.971 134 D CB -0.450 40.376 40.800 0.043 0.000 1.123 134 D HN 0.295 nan 8.370 nan 0.000 0.467 135 L N 1.091 122.356 121.223 0.069 0.000 2.417 135 L HA 0.283 4.628 4.340 0.009 0.000 0.268 135 L C -1.630 175.220 176.870 -0.032 0.000 1.158 135 L CA -1.698 53.139 54.840 -0.004 0.000 0.819 135 L CB 0.639 42.658 42.059 -0.067 0.000 1.112 135 L HN 0.044 nan 8.230 nan 0.000 0.458 136 P HA 0.185 nan 4.420 nan 0.000 0.279 136 P C -0.788 176.436 177.300 -0.127 0.000 1.239 136 P CA -0.451 62.601 63.100 -0.079 0.000 0.789 136 P CB 1.267 32.917 31.700 -0.084 0.000 0.933 137 A N 2.609 125.360 122.820 -0.116 0.000 2.366 137 A HA 0.463 4.789 4.320 0.009 0.000 0.249 137 A C 0.471 177.954 177.584 -0.169 0.000 1.084 137 A CA 0.149 52.096 52.037 -0.151 0.000 0.794 137 A CB -0.132 18.804 19.000 -0.107 0.000 1.034 137 A HN 0.594 nan 8.150 nan 0.000 0.491 138 T N -0.222 114.218 114.554 -0.189 0.000 2.916 138 T HA 0.564 4.919 4.350 0.009 0.000 0.292 138 T C -0.494 174.093 174.700 -0.189 0.000 1.055 138 T CA -0.391 61.586 62.100 -0.204 0.000 1.009 138 T CB 0.998 69.725 68.868 -0.235 0.000 1.118 138 T HN 0.567 nan 8.240 nan 0.000 0.497 139 S N 2.132 117.699 115.700 -0.222 0.000 2.422 139 S HA 0.501 4.977 4.470 0.009 0.000 0.308 139 S C -0.396 174.041 174.600 -0.271 0.000 1.097 139 S CA -0.591 57.480 58.200 -0.214 0.000 1.099 139 S CB 0.979 64.049 63.200 -0.218 0.000 0.976 139 S HN 0.590 nan 8.310 nan 0.000 0.471 140 V N 4.844 124.636 119.914 -0.204 0.000 2.385 140 V HA 0.284 4.409 4.120 0.009 0.000 0.269 140 V C -0.052 175.910 176.094 -0.220 0.000 1.043 140 V CA -0.483 61.692 62.300 -0.207 0.000 0.906 140 V CB 1.149 32.915 31.823 -0.096 0.000 0.995 140 V HN 0.629 nan 8.190 nan 0.000 0.467 141 V N 7.327 127.045 119.914 -0.326 0.000 2.347 141 V HA 0.491 4.617 4.120 0.009 0.000 0.280 141 V C -0.101 175.960 176.094 -0.055 0.000 1.021 141 V CA -0.282 61.890 62.300 -0.214 0.000 0.847 141 V CB 1.451 33.067 31.823 -0.344 0.000 0.990 141 V HN 0.681 nan 8.190 nan 0.000 0.444 142 I N 4.906 125.488 120.570 0.019 0.000 2.439 142 I HA 0.357 4.533 4.170 0.009 0.000 0.283 142 I C 0.416 176.639 176.117 0.178 0.000 1.023 142 I CA -0.263 61.084 61.300 0.078 0.000 1.100 142 I CB 2.176 40.195 38.000 0.031 0.000 1.238 142 I HN 0.691 nan 8.210 nan 0.000 0.445 143 T N 3.716 118.376 114.554 0.177 0.000 2.934 143 T HA 0.792 5.147 4.350 0.009 0.000 0.283 143 T C -0.591 174.273 174.700 0.273 0.000 1.005 143 T CA -0.413 61.783 62.100 0.161 0.000 1.041 143 T CB 1.539 70.450 68.868 0.072 0.000 1.042 143 T HN 0.414 nan 8.240 nan 0.000 0.505 144 F N -0.528 119.459 119.950 0.062 0.000 2.665 144 F HA 0.660 5.192 4.527 0.008 0.000 0.308 144 F C -1.450 174.419 175.800 0.116 0.000 1.112 144 F CA -1.222 56.832 58.000 0.090 0.000 0.972 144 F CB 1.220 40.270 39.000 0.084 0.000 1.295 144 F HN 0.898 nan 8.300 nan 0.000 0.440 145 H N 2.775 121.902 119.070 0.095 0.000 3.078 145 H HA 0.420 4.981 4.556 0.008 0.000 0.319 145 H C -0.627 174.786 175.328 0.141 0.000 0.995 145 H CA -0.658 55.374 56.048 -0.026 0.000 1.417 145 H CB 0.486 30.119 29.762 -0.216 0.000 1.598 145 H HN 0.739 nan 8.280 nan 0.000 0.515 146 N N 2.571 121.165 118.700 -0.176 0.000 2.714 146 N HA -0.223 4.523 4.740 0.009 0.000 0.253 146 N C -0.462 175.100 175.510 0.086 0.000 1.024 146 N CA 1.049 54.038 53.050 -0.103 0.000 0.726 146 N CB -0.701 37.617 38.487 -0.280 0.000 0.908 146 N HN 0.780 nan 8.380 nan 0.000 0.542 147 E N 0.217 120.550 120.200 0.221 0.000 2.319 147 E HA 0.648 5.003 4.350 0.009 0.000 0.268 147 E C -0.141 176.534 176.600 0.124 0.000 1.050 147 E CA -0.513 56.022 56.400 0.225 0.000 0.878 147 E CB 0.772 30.622 29.700 0.251 0.000 1.066 147 E HN 0.350 nan 8.360 nan 0.000 0.406 148 A N 4.275 127.198 122.820 0.172 0.000 2.454 148 A HA 0.140 4.466 4.320 0.009 0.000 0.260 148 A C 0.941 178.570 177.584 0.075 0.000 1.106 148 A CA 0.028 52.134 52.037 0.116 0.000 0.780 148 A CB 0.194 19.355 19.000 0.269 0.000 1.044 148 A HN 0.829 nan 8.150 nan 0.000 0.498 149 R N 1.638 122.117 120.500 -0.035 0.000 2.103 149 R HA -0.202 4.143 4.340 0.009 0.000 0.242 149 R C 2.494 178.849 176.300 0.092 0.000 1.142 149 R CA 2.053 58.110 56.100 -0.071 0.000 0.960 149 R CB -0.366 29.623 30.300 -0.517 0.000 0.858 149 R HN 0.960 nan 8.270 nan 0.000 0.439 150 S N 0.549 116.269 115.700 0.033 0.000 2.368 150 S HA -0.126 4.350 4.470 0.009 0.000 0.225 150 S C 2.232 176.856 174.600 0.040 0.000 1.030 150 S CA 1.069 59.298 58.200 0.048 0.000 0.999 150 S CB -0.246 62.931 63.200 -0.037 0.000 0.844 150 S HN 0.400 nan 8.310 nan 0.000 0.459 151 A N 1.703 124.559 122.820 0.060 0.000 1.898 151 A HA 0.153 4.478 4.320 0.009 0.000 0.216 151 A C 2.230 179.840 177.584 0.044 0.000 1.181 151 A CA 1.412 53.495 52.037 0.078 0.000 0.620 151 A CB -0.837 18.278 19.000 0.192 0.000 0.819 151 A HN 0.503 nan 8.150 nan 0.000 0.442 152 L N -0.595 120.646 121.223 0.030 0.000 2.017 152 L HA -0.100 4.246 4.340 0.009 0.000 0.208 152 L C 2.254 179.054 176.870 -0.117 0.000 1.073 152 L CA 2.106 56.894 54.840 -0.087 0.000 0.745 152 L CB -0.682 41.253 42.059 -0.207 0.000 0.894 152 L HN 0.359 nan 8.230 nan 0.000 0.432 153 L N -0.142 121.056 121.223 -0.041 0.000 2.012 153 L HA -0.208 4.137 4.340 0.009 0.000 0.210 153 L C 2.733 179.519 176.870 -0.141 0.000 1.073 153 L CA 2.037 56.803 54.840 -0.123 0.000 0.748 153 L CB -0.732 41.335 42.059 0.014 0.000 0.891 153 L HN 0.348 nan 8.230 nan 0.000 0.431 154 R N -1.330 119.123 120.500 -0.079 0.000 2.096 154 R HA -0.145 4.200 4.340 0.009 0.000 0.235 154 R C 2.018 178.222 176.300 -0.159 0.000 1.127 154 R CA 1.863 57.901 56.100 -0.105 0.000 0.968 154 R CB -0.328 29.943 30.300 -0.049 0.000 0.861 154 R HN 0.469 nan 8.270 nan 0.000 0.440 155 T N -0.025 114.442 114.554 -0.145 0.000 2.708 155 T HA -0.107 4.249 4.350 0.009 0.000 0.266 155 T C 1.801 176.360 174.700 -0.236 0.000 1.037 155 T CA 1.484 63.475 62.100 -0.182 0.000 1.146 155 T CB -0.180 68.595 68.868 -0.156 0.000 0.865 155 T HN 0.022 nan 8.240 nan 0.000 0.435 156 V N 1.266 121.039 119.914 -0.235 0.000 2.295 156 V HA -0.151 3.974 4.120 0.009 0.000 0.246 156 V C 2.682 178.579 176.094 -0.329 0.000 1.049 156 V CA 1.380 63.525 62.300 -0.257 0.000 1.024 156 V CB -0.710 30.952 31.823 -0.269 0.000 0.648 156 V HN 0.307 nan 8.190 nan 0.000 0.447 157 V N 0.945 120.630 119.914 -0.382 0.000 2.407 157 V HA -0.226 3.899 4.120 0.009 0.000 0.248 157 V C 2.732 178.453 176.094 -0.622 0.000 1.055 157 V CA 2.212 64.148 62.300 -0.607 0.000 1.049 157 V CB -0.754 30.743 31.823 -0.544 0.000 0.662 157 V HN 0.786 nan 8.190 nan 0.000 0.455 158 S N -0.229 115.216 115.700 -0.425 0.000 2.399 158 S HA -0.162 4.313 4.470 0.009 0.000 0.231 158 S C 1.931 176.315 174.600 -0.360 0.000 1.022 158 S CA 1.668 59.639 58.200 -0.382 0.000 0.983 158 S CB -0.533 62.470 63.200 -0.328 0.000 0.803 158 S HN 0.321 nan 8.310 nan 0.000 0.480 159 V N 2.130 121.846 119.914 -0.330 0.000 2.307 159 V HA -0.086 4.040 4.120 0.009 0.000 0.245 159 V C 2.606 178.638 176.094 -0.103 0.000 1.045 159 V CA 1.822 64.015 62.300 -0.179 0.000 1.024 159 V CB -0.820 30.920 31.823 -0.137 0.000 0.651 159 V HN 0.470 nan 8.190 nan 0.000 0.449 160 L N -0.187 120.890 121.223 -0.243 0.000 2.093 160 L HA -0.176 4.169 4.340 0.009 0.000 0.208 160 L C 2.564 179.328 176.870 -0.176 0.000 1.085 160 L CA 1.875 56.588 54.840 -0.212 0.000 0.755 160 L CB -0.553 41.306 42.059 -0.333 0.000 0.904 160 L HN 0.318 nan 8.230 nan 0.000 0.435 161 K N 0.057 120.224 120.400 -0.388 0.000 2.116 161 K HA -0.095 4.231 4.320 0.009 0.000 0.203 161 K C 1.673 178.247 176.600 -0.042 0.000 1.052 161 K CA 0.837 57.016 56.287 -0.180 0.000 0.952 161 K CB 0.312 32.574 32.500 -0.397 0.000 0.729 161 K HN 0.026 nan 8.250 nan 0.000 0.446 162 K N 0.562 120.929 120.400 -0.054 0.000 2.404 162 K HA 0.159 4.485 4.320 0.009 0.000 0.194 162 K C -0.097 176.603 176.600 0.165 0.000 1.023 162 K CA 0.107 56.419 56.287 0.042 0.000 1.094 162 K CB 1.147 33.661 32.500 0.025 0.000 0.841 162 K HN -0.035 nan 8.250 nan 0.000 0.523 163 S N 2.002 117.794 115.700 0.152 0.000 2.501 163 S HA 0.439 4.915 4.470 0.009 0.000 0.301 163 S C -2.674 171.924 174.600 -0.005 0.000 1.096 163 S CA -1.384 56.858 58.200 0.071 0.000 1.063 163 S CB 2.018 65.288 63.200 0.116 0.000 1.042 163 S HN -0.100 nan 8.310 nan 0.000 0.494 164 P HA 0.185 nan 4.420 nan 0.000 0.267 164 P C -1.996 175.276 177.300 -0.046 0.000 1.209 164 P CA -1.018 62.076 63.100 -0.010 0.000 0.763 164 P CB 0.164 31.826 31.700 -0.063 0.000 0.816 165 P HA -0.235 nan 4.420 nan 0.000 0.216 165 P C 1.321 178.642 177.300 0.035 0.000 1.150 165 P CA 1.502 64.638 63.100 0.060 0.000 0.843 165 P CB -0.459 31.304 31.700 0.105 0.000 0.787 166 H N -1.059 118.011 119.070 -0.000 0.000 2.545 166 H HA 0.030 4.592 4.556 0.009 0.000 0.282 166 H C 1.402 176.708 175.328 -0.037 0.000 1.020 166 H CA 0.808 56.848 56.048 -0.013 0.000 1.243 166 H CB -0.992 28.768 29.762 -0.004 0.000 1.377 166 H HN 0.216 nan 8.280 nan 0.000 0.581 167 L N 0.743 121.665 121.223 -0.502 0.000 2.585 167 L HA 0.165 4.511 4.340 0.009 0.000 0.226 167 L C 0.205 176.930 176.870 -0.241 0.000 1.113 167 L CA -0.046 54.540 54.840 -0.423 0.000 0.876 167 L CB 0.411 42.149 42.059 -0.536 0.000 1.072 167 L HN 0.086 nan 8.230 nan 0.000 0.468 168 I N 0.973 121.448 120.570 -0.159 0.000 2.310 168 I HA 0.086 4.262 4.170 0.009 0.000 0.287 168 I C 1.017 177.088 176.117 -0.076 0.000 1.073 168 I CA 0.008 61.245 61.300 -0.103 0.000 1.216 168 I CB 1.269 39.235 38.000 -0.057 0.000 1.415 168 I HN -0.013 nan 8.210 nan 0.000 0.480 169 K N 6.209 126.555 120.400 -0.089 0.000 2.062 169 K HA -0.048 4.277 4.320 0.009 0.000 0.205 169 K C 0.366 176.932 176.600 -0.057 0.000 1.051 169 K CA 1.482 57.728 56.287 -0.069 0.000 0.941 169 K CB 0.453 32.902 32.500 -0.085 0.000 0.719 169 K HN 0.754 nan 8.250 nan 0.000 0.440 170 E N -1.545 118.612 120.200 -0.071 0.000 2.403 170 E HA 0.208 4.563 4.350 0.009 0.000 0.280 170 E C -1.215 175.339 176.600 -0.076 0.000 1.101 170 E CA -0.730 55.633 56.400 -0.061 0.000 0.856 170 E CB 0.335 30.000 29.700 -0.058 0.000 1.303 170 E HN -0.011 nan 8.360 nan 0.000 0.441 171 I N 2.101 122.631 120.570 -0.066 0.000 2.411 171 I HA 0.362 4.538 4.170 0.009 0.000 0.284 171 I C -0.547 175.535 176.117 -0.059 0.000 1.012 171 I CA -0.821 60.434 61.300 -0.075 0.000 1.119 171 I CB 1.272 39.224 38.000 -0.080 0.000 1.261 171 I HN 0.412 nan 8.210 nan 0.000 0.448 172 I N 7.209 127.742 120.570 -0.062 0.000 2.304 172 I HA 0.295 4.470 4.170 0.009 0.000 0.291 172 I C -0.302 175.824 176.117 0.014 0.000 1.018 172 I CA -0.414 60.868 61.300 -0.029 0.000 1.260 172 I CB 0.846 38.818 38.000 -0.047 0.000 1.390 172 I HN 0.316 nan 8.210 nan 0.000 0.475 173 L N 7.396 128.657 121.223 0.064 0.000 2.257 173 L HA 0.390 4.736 4.340 0.009 0.000 0.290 173 L C -0.370 176.612 176.870 0.187 0.000 1.044 173 L CA -0.753 54.196 54.840 0.181 0.000 0.810 173 L CB 1.329 43.529 42.059 0.235 0.000 1.193 173 L HN 0.313 nan 8.230 nan 0.000 0.425 174 V N 2.198 122.196 119.914 0.140 0.000 2.320 174 V HA 0.077 4.202 4.120 0.009 0.000 0.265 174 V C 0.091 176.030 176.094 -0.259 0.000 1.048 174 V CA -0.510 61.789 62.300 -0.002 0.000 0.865 174 V CB 1.184 33.011 31.823 0.007 0.000 1.043 174 V HN 0.611 nan 8.190 nan 0.000 0.474 175 D N 3.946 124.114 120.400 -0.387 0.000 2.359 175 D HA 0.007 4.652 4.640 0.009 0.000 0.250 175 D C 0.191 176.230 176.300 -0.435 0.000 1.264 175 D CA -0.217 53.251 54.000 -0.887 0.000 0.911 175 D CB 0.819 41.377 40.800 -0.404 0.000 1.056 175 D HN 0.524 nan 8.370 nan 0.000 0.499 176 D N 3.649 123.799 120.400 -0.417 0.000 2.671 176 D HA -0.053 4.592 4.640 0.009 0.000 0.228 176 D C -0.250 176.114 176.300 0.106 0.000 1.102 176 D CA -0.266 53.659 54.000 -0.124 0.000 1.044 176 D CB -1.037 39.683 40.800 -0.134 0.000 1.113 176 D HN 0.379 nan 8.370 nan 0.000 0.480 177 Y N 0.671 120.922 120.300 -0.081 0.000 3.078 177 Y HA -0.323 4.232 4.550 0.008 0.000 0.202 177 Y C -0.153 175.781 175.900 0.057 0.000 1.322 177 Y CA 0.263 58.360 58.100 -0.003 0.000 1.118 177 Y CB -1.940 36.523 38.460 0.004 0.000 1.343 177 Y HN 0.113 nan 8.280 nan 0.000 0.499 178 S N 0.833 116.481 115.700 -0.085 0.000 2.579 178 S HA -0.005 4.470 4.470 0.009 0.000 0.275 178 S C 1.588 176.050 174.600 -0.230 0.000 1.345 178 S CA -0.039 58.053 58.200 -0.180 0.000 1.031 178 S CB 0.838 64.000 63.200 -0.062 0.000 0.892 178 S HN 0.754 nan 8.310 nan 0.000 0.529 179 N N 0.953 119.524 118.700 -0.215 0.000 2.094 179 N HA -0.187 4.559 4.740 0.009 0.000 0.191 179 N C -0.067 175.362 175.510 -0.134 0.000 1.023 179 N CA 1.061 54.004 53.050 -0.179 0.000 0.857 179 N CB 0.072 38.485 38.487 -0.124 0.000 1.013 179 N HN 0.563 nan 8.380 nan 0.000 0.426 180 D N -0.482 119.871 120.400 -0.079 0.000 2.441 180 D HA 0.258 4.903 4.640 0.009 0.000 0.231 180 D C -2.024 174.281 176.300 0.009 0.000 1.073 180 D CA -2.367 51.612 54.000 -0.035 0.000 0.850 180 D CB 1.746 42.534 40.800 -0.020 0.000 1.062 180 D HN 0.029 nan 8.370 nan 0.000 0.524 181 P HA -0.089 nan 4.420 nan 0.000 0.221 181 P C 0.949 178.309 177.300 0.099 0.000 1.145 181 P CA 0.670 63.797 63.100 0.045 0.000 0.795 181 P CB 0.461 32.176 31.700 0.025 0.000 0.775 182 E N -0.339 119.915 120.200 0.090 0.000 2.204 182 E HA -0.146 4.210 4.350 0.009 0.000 0.194 182 E C 1.326 178.048 176.600 0.203 0.000 0.989 182 E CA 0.865 57.342 56.400 0.127 0.000 0.824 182 E CB -0.580 29.176 29.700 0.095 0.000 0.756 182 E HN 0.339 nan 8.360 nan 0.000 0.477 183 D N 0.130 120.643 120.400 0.188 0.000 2.116 183 D HA -0.151 4.494 4.640 0.009 0.000 0.193 183 D C 1.905 178.380 176.300 0.292 0.000 0.998 183 D CA 1.681 55.823 54.000 0.237 0.000 0.836 183 D CB -0.513 40.410 40.800 0.205 0.000 0.951 183 D HN 0.330 nan 8.370 nan 0.000 0.449 184 G N 0.184 109.181 108.800 0.328 0.000 2.441 184 G HA2 0.055 4.020 3.960 0.009 0.000 0.212 184 G HA3 0.055 4.020 3.960 0.009 0.000 0.212 184 G C 1.696 176.705 174.900 0.181 0.000 1.164 184 G CA 0.827 46.120 45.100 0.321 0.000 0.811 184 G HN 0.377 nan 8.290 nan 0.000 0.535 185 A N 0.903 123.825 122.820 0.170 0.000 1.917 185 A HA 0.009 4.335 4.320 0.009 0.000 0.219 185 A C 2.378 180.028 177.584 0.110 0.000 1.182 185 A CA 1.308 53.417 52.037 0.120 0.000 0.633 185 A CB -0.473 18.591 19.000 0.107 0.000 0.819 185 A HN 0.349 nan 8.150 nan 0.000 0.448 186 L N -0.795 120.522 121.223 0.156 0.000 2.201 186 L HA -0.113 4.233 4.340 0.009 0.000 0.212 186 L C 2.160 179.078 176.870 0.079 0.000 1.105 186 L CA 0.678 55.624 54.840 0.177 0.000 0.775 186 L CB -0.378 41.883 42.059 0.337 0.000 0.913 186 L HN 0.376 nan 8.230 nan 0.000 0.440 187 L N -0.762 120.408 121.223 -0.089 0.000 2.492 187 L HA 0.019 4.365 4.340 0.009 0.000 0.223 187 L C 2.430 179.203 176.870 -0.161 0.000 1.132 187 L CA 0.510 55.162 54.840 -0.314 0.000 0.850 187 L CB -0.759 41.067 42.059 -0.387 0.000 0.966 187 L HN 0.261 nan 8.230 nan 0.000 0.454 188 G N -0.131 108.646 108.800 -0.038 0.000 2.559 188 G HA2 -0.171 3.795 3.960 0.009 0.000 0.216 188 G HA3 -0.171 3.795 3.960 0.009 0.000 0.216 188 G C 1.612 176.515 174.900 0.004 0.000 1.126 188 G CA 0.229 45.325 45.100 -0.008 0.000 0.778 188 G HN 0.133 nan 8.290 nan 0.000 0.543 189 K N -0.005 120.411 120.400 0.028 0.000 2.418 189 K HA 0.202 4.528 4.320 0.009 0.000 0.195 189 K C 0.913 177.543 176.600 0.050 0.000 1.035 189 K CA -0.156 56.168 56.287 0.061 0.000 1.003 189 K CB 0.244 32.817 32.500 0.121 0.000 0.793 189 K HN 0.342 nan 8.250 nan 0.000 0.494 190 I N 3.236 123.796 120.570 -0.016 0.000 2.529 190 I HA -0.052 4.124 4.170 0.009 0.000 0.284 190 I C 0.668 176.782 176.117 -0.005 0.000 1.082 190 I CA -0.406 60.878 61.300 -0.027 0.000 1.406 190 I CB 0.500 38.393 38.000 -0.178 0.000 1.405 190 I HN 0.167 nan 8.210 nan 0.000 0.548 191 E N 6.998 127.219 120.200 0.034 0.000 2.608 191 E HA -0.098 4.258 4.350 0.009 0.000 0.259 191 E C -0.077 176.534 176.600 0.018 0.000 0.951 191 E CA -0.143 56.278 56.400 0.036 0.000 0.945 191 E CB 0.110 29.849 29.700 0.065 0.000 0.916 191 E HN 0.596 nan 8.360 nan 0.000 0.477 192 K N -0.298 120.106 120.400 0.006 0.000 3.547 192 K HA -0.179 4.147 4.320 0.009 0.000 0.309 192 K C -0.442 176.142 176.600 -0.027 0.000 1.324 192 K CA 0.970 57.252 56.287 -0.009 0.000 0.988 192 K CB -1.477 31.020 32.500 -0.006 0.000 1.261 192 K HN 0.445 nan 8.250 nan 0.000 0.444 193 V N 1.682 121.575 119.914 -0.035 0.000 2.461 193 V HA 0.242 4.367 4.120 0.009 0.000 0.275 193 V C 0.407 176.486 176.094 -0.025 0.000 1.047 193 V CA -0.296 61.975 62.300 -0.048 0.000 0.955 193 V CB 1.307 33.079 31.823 -0.085 0.000 0.988 193 V HN 0.173 nan 8.190 nan 0.000 0.471 194 R N 3.930 124.420 120.500 -0.016 0.000 2.437 194 R HA 0.681 5.026 4.340 0.009 0.000 0.310 194 R C -1.704 174.609 176.300 0.021 0.000 0.955 194 R CA -0.478 55.623 56.100 0.001 0.000 0.851 194 R CB 1.907 32.204 30.300 -0.005 0.000 1.161 194 R HN 0.531 nan 8.270 nan 0.000 0.446 195 V N 6.612 126.548 119.914 0.038 0.000 2.398 195 V HA 0.389 4.515 4.120 0.009 0.000 0.286 195 V C -0.199 175.930 176.094 0.057 0.000 1.026 195 V CA -0.679 61.664 62.300 0.071 0.000 0.868 195 V CB 1.542 33.420 31.823 0.093 0.000 0.982 195 V HN 0.646 nan 8.190 nan 0.000 0.443 196 L N 5.752 127.007 121.223 0.054 0.000 2.316 196 L HA 0.596 4.941 4.340 0.009 0.000 0.280 196 L C 0.055 176.934 176.870 0.015 0.000 1.006 196 L CA -0.404 54.454 54.840 0.031 0.000 0.836 196 L CB 1.518 43.591 42.059 0.022 0.000 1.221 196 L HN 0.586 nan 8.230 nan 0.000 0.418 197 R N 2.827 123.340 120.500 0.021 0.000 2.265 197 R HA 0.308 4.654 4.340 0.009 0.000 0.319 197 R C -0.424 175.891 176.300 0.025 0.000 1.006 197 R CA -0.715 55.392 56.100 0.012 0.000 0.880 197 R CB 0.848 31.172 30.300 0.040 0.000 1.077 197 R HN 0.507 nan 8.270 nan 0.000 0.454 198 N N 2.839 121.549 118.700 0.017 0.000 2.513 198 N HA -0.029 4.716 4.740 0.009 0.000 0.268 198 N C -0.027 175.522 175.510 0.064 0.000 1.180 198 N CA 0.074 53.133 53.050 0.014 0.000 0.948 198 N CB 0.932 39.406 38.487 -0.021 0.000 1.083 198 N HN 0.594 nan 8.380 nan 0.000 0.455 199 D N 0.773 121.171 120.400 -0.004 0.000 2.312 199 D HA -0.057 4.589 4.640 0.009 0.000 0.211 199 D C 0.596 176.747 176.300 -0.250 0.000 0.964 199 D CA 1.022 55.016 54.000 -0.011 0.000 0.877 199 D CB 0.629 41.414 40.800 -0.026 0.000 0.924 199 D HN 0.619 nan 8.370 nan 0.000 0.515 200 R N -0.953 119.278 120.500 -0.448 0.000 2.752 200 R HA 0.511 4.856 4.340 0.009 0.000 0.271 200 R C -0.811 175.124 176.300 -0.608 0.000 1.026 200 R CA -1.039 54.492 56.100 -0.948 0.000 0.901 200 R CB 1.251 31.240 30.300 -0.517 0.000 1.243 200 R HN -0.326 nan 8.270 nan 0.000 0.463 201 R N 0.905 121.075 120.500 -0.549 0.000 2.449 201 R HA 0.059 4.405 4.340 0.009 0.000 0.296 201 R C -0.094 176.087 176.300 -0.197 0.000 1.047 201 R CA 0.595 56.573 56.100 -0.203 0.000 1.018 201 R CB 0.512 30.734 30.300 -0.131 0.000 0.962 201 R HN 0.767 nan 8.270 nan 0.000 0.428 202 E N 2.601 122.700 120.200 -0.169 0.000 2.453 202 E HA 0.209 4.564 4.350 0.009 0.000 0.211 202 E C 0.407 176.918 176.600 -0.148 0.000 0.897 202 E CA 0.714 57.031 56.400 -0.138 0.000 1.063 202 E CB 0.699 30.339 29.700 -0.100 0.000 1.080 202 E HN 0.882 nan 8.360 nan 0.000 0.512 203 G N 1.704 110.382 108.800 -0.205 0.000 2.707 203 G HA2 -0.214 3.751 3.960 0.009 0.000 0.686 203 G HA3 -0.214 3.751 3.960 0.009 0.000 0.686 203 G C 0.523 175.321 174.900 -0.171 0.000 1.315 203 G CA -0.148 44.819 45.100 -0.221 0.000 0.832 203 G HN 0.139 nan 8.290 nan 0.000 0.573 204 L N -1.808 119.318 121.223 -0.162 0.000 2.141 204 L HA 0.294 4.639 4.340 0.009 0.000 0.209 204 L C 2.663 179.432 176.870 -0.169 0.000 1.094 204 L CA 2.790 57.555 54.840 -0.125 0.000 0.763 204 L CB -0.730 41.283 42.059 -0.077 0.000 0.908 204 L HN 0.592 nan 8.230 nan 0.000 0.437 205 M N 0.139 119.596 119.600 -0.238 0.000 2.077 205 M HA -0.045 4.441 4.480 0.009 0.000 0.261 205 M C 2.494 178.756 176.300 -0.064 0.000 1.070 205 M CA 1.788 56.898 55.300 -0.315 0.000 1.125 205 M CB -0.661 31.747 32.600 -0.320 0.000 1.339 205 M HN 0.101 nan 8.290 nan 0.000 0.409 206 R N -0.559 119.916 120.500 -0.042 0.000 2.148 206 R HA 0.007 4.353 4.340 0.009 0.000 0.227 206 R C 2.304 178.625 176.300 0.035 0.000 1.103 206 R CA 1.321 57.431 56.100 0.016 0.000 0.983 206 R CB -0.464 29.826 30.300 -0.016 0.000 0.874 206 R HN 0.340 nan 8.270 nan 0.000 0.451 207 S N 0.555 116.255 115.700 0.001 0.000 2.371 207 S HA -0.048 4.427 4.470 0.009 0.000 0.224 207 S C 1.803 176.457 174.600 0.090 0.000 1.029 207 S CA 0.926 59.136 58.200 0.016 0.000 0.978 207 S CB -0.028 63.154 63.200 -0.029 0.000 0.833 207 S HN 0.308 nan 8.310 nan 0.000 0.466 208 R N 0.522 121.098 120.500 0.127 0.000 2.092 208 R HA -0.015 4.331 4.340 0.009 0.000 0.231 208 R C 2.153 178.657 176.300 0.341 0.000 1.119 208 R CA 1.079 57.340 56.100 0.267 0.000 0.970 208 R CB -0.517 29.907 30.300 0.206 0.000 0.864 208 R HN 0.239 nan 8.270 nan 0.000 0.440 209 V N 0.943 121.055 119.914 0.330 0.000 2.427 209 V HA -0.242 3.883 4.120 0.009 0.000 0.248 209 V C 2.457 178.682 176.094 0.219 0.000 1.051 209 V CA 1.711 64.221 62.300 0.351 0.000 1.048 209 V CB -0.559 31.444 31.823 0.299 0.000 0.666 209 V HN 0.318 nan 8.190 nan 0.000 0.456 210 R N 0.352 120.939 120.500 0.145 0.000 2.081 210 R HA -0.135 4.211 4.340 0.009 0.000 0.235 210 R C 2.345 178.693 176.300 0.080 0.000 1.131 210 R CA 1.823 57.978 56.100 0.092 0.000 0.960 210 R CB -0.725 29.608 30.300 0.054 0.000 0.856 210 R HN 0.523 nan 8.270 nan 0.000 0.436 211 G N -0.108 108.745 108.800 0.088 0.000 2.418 211 G HA2 -0.256 3.709 3.960 0.009 0.000 0.217 211 G HA3 -0.256 3.709 3.960 0.009 0.000 0.217 211 G C 1.513 176.413 174.900 -0.000 0.000 1.158 211 G CA 0.733 45.858 45.100 0.041 0.000 0.771 211 G HN 0.485 nan 8.290 nan 0.000 0.545 212 A N 1.075 123.924 122.820 0.047 0.000 1.902 212 A HA -0.041 4.284 4.320 0.009 0.000 0.217 212 A C 2.070 179.678 177.584 0.040 0.000 1.181 212 A CA 2.060 54.082 52.037 -0.024 0.000 0.623 212 A CB -0.404 18.606 19.000 0.017 0.000 0.818 212 A HN 0.263 nan 8.150 nan 0.000 0.443 213 D N -0.116 120.346 120.400 0.103 0.000 2.218 213 D HA 0.010 4.656 4.640 0.009 0.000 0.204 213 D C 1.892 178.220 176.300 0.047 0.000 0.976 213 D CA 1.336 55.392 54.000 0.094 0.000 0.853 213 D CB -0.177 40.682 40.800 0.100 0.000 0.939 213 D HN 0.452 nan 8.370 nan 0.000 0.481 214 A N 0.171 123.005 122.820 0.023 0.000 2.195 214 A HA 0.425 4.751 4.320 0.009 0.000 0.210 214 A C 1.250 178.820 177.584 -0.024 0.000 1.165 214 A CA 0.340 52.379 52.037 0.004 0.000 0.806 214 A CB -0.073 18.929 19.000 0.004 0.000 0.847 214 A HN 0.156 nan 8.150 nan 0.000 0.482 215 A N -0.040 122.749 122.820 -0.052 0.000 2.511 215 A HA 0.368 4.693 4.320 0.009 0.000 0.242 215 A C 0.856 178.391 177.584 -0.081 0.000 1.069 215 A CA -0.040 51.939 52.037 -0.096 0.000 0.763 215 A CB 0.250 19.153 19.000 -0.162 0.000 1.001 215 A HN 0.339 nan 8.150 nan 0.000 0.498 216 Q N 0.635 120.385 119.800 -0.084 0.000 2.352 216 Q HA 0.206 4.552 4.340 0.009 0.000 0.212 216 Q C 0.979 176.919 176.000 -0.099 0.000 0.888 216 Q CA 0.866 56.627 55.803 -0.070 0.000 0.934 216 Q CB -0.033 28.677 28.738 -0.047 0.000 1.093 216 Q HN 0.851 nan 8.270 nan 0.000 0.523 217 A N 1.085 123.827 122.820 -0.131 0.000 2.259 217 A HA 0.264 4.589 4.320 0.009 0.000 0.278 217 A C 0.949 178.407 177.584 -0.210 0.000 1.107 217 A CA -0.233 51.712 52.037 -0.152 0.000 0.828 217 A CB 0.582 19.486 19.000 -0.160 0.000 1.111 217 A HN -0.118 nan 8.150 nan 0.000 0.498 218 K N -0.606 119.663 120.400 -0.219 0.000 2.393 218 K HA 0.228 4.554 4.320 0.009 0.000 0.193 218 K C -0.408 176.035 176.600 -0.262 0.000 1.026 218 K CA 0.515 56.620 56.287 -0.305 0.000 1.064 218 K CB 0.204 32.559 32.500 -0.242 0.000 0.833 218 K HN 0.373 nan 8.250 nan 0.000 0.521 219 V N 1.979 121.762 119.914 -0.218 0.000 2.709 219 V HA 0.375 4.500 4.120 0.009 0.000 0.308 219 V C -0.354 175.586 176.094 -0.256 0.000 1.062 219 V CA -0.916 61.265 62.300 -0.198 0.000 0.901 219 V CB 2.395 34.115 31.823 -0.172 0.000 1.003 219 V HN -0.033 nan 8.190 nan 0.000 0.425 220 L N 3.219 124.265 121.223 -0.295 0.000 2.322 220 L HA 0.728 5.073 4.340 0.009 0.000 0.279 220 L C -0.021 176.523 176.870 -0.544 0.000 1.036 220 L CA -0.183 54.352 54.840 -0.509 0.000 0.807 220 L CB 1.996 43.646 42.059 -0.682 0.000 1.226 220 L HN 0.590 nan 8.230 nan 0.000 0.433 221 T N 2.185 116.338 114.554 -0.668 0.000 2.881 221 T HA 0.564 4.920 4.350 0.009 0.000 0.291 221 T C -0.832 173.463 174.700 -0.674 0.000 0.990 221 T CA -0.367 61.440 62.100 -0.487 0.000 0.976 221 T CB 0.750 69.498 68.868 -0.199 0.000 0.970 221 T HN 0.096 nan 8.240 nan 0.000 0.438 222 F N 2.872 122.557 119.950 -0.443 0.000 2.469 222 F HA 0.748 5.281 4.527 0.010 0.000 0.332 222 F C -0.038 175.642 175.800 -0.199 0.000 1.103 222 F CA -1.026 56.751 58.000 -0.372 0.000 0.979 222 F CB 1.318 39.970 39.000 -0.581 0.000 1.137 222 F HN 0.184 nan 8.300 nan 0.000 0.463 223 L N 2.258 123.508 121.223 0.046 0.000 2.445 223 L HA 0.411 4.756 4.340 0.009 0.000 0.262 223 L C -1.007 175.859 176.870 -0.007 0.000 0.974 223 L CA -1.094 53.745 54.840 -0.001 0.000 0.822 223 L CB 2.197 44.204 42.059 -0.086 0.000 1.339 223 L HN 0.440 nan 8.230 nan 0.000 0.409 224 D N 0.030 120.406 120.400 -0.041 0.000 2.361 224 D HA 0.086 4.731 4.640 0.009 0.000 0.239 224 D C 0.811 176.957 176.300 -0.256 0.000 1.200 224 D CA 0.168 54.087 54.000 -0.135 0.000 0.915 224 D CB 1.100 41.789 40.800 -0.184 0.000 1.170 224 D HN 0.557 nan 8.370 nan 0.000 0.444 225 S N 0.242 115.757 115.700 -0.308 0.000 2.803 225 S HA -0.022 4.453 4.470 0.009 0.000 0.228 225 S C 0.324 174.846 174.600 -0.131 0.000 0.953 225 S CA -0.178 57.931 58.200 -0.151 0.000 0.983 225 S CB -0.563 62.681 63.200 0.072 0.000 0.784 225 S HN 0.570 nan 8.310 nan 0.000 0.498 226 H N -1.471 117.625 119.070 0.043 0.000 2.823 226 H HA 0.494 5.056 4.556 0.010 0.000 0.222 226 H C -1.000 174.268 175.328 -0.101 0.000 1.414 226 H CA -0.785 55.242 56.048 -0.034 0.000 1.289 226 H CB -1.107 28.623 29.762 -0.054 0.000 1.970 226 H HN 0.247 nan 8.280 nan 0.000 0.517 227 C N 0.595 119.851 119.300 -0.073 0.000 2.719 227 C HA 0.553 5.018 4.460 0.009 0.000 0.327 227 C C -0.140 174.794 174.990 -0.093 0.000 1.238 227 C CA -0.564 58.412 59.018 -0.071 0.000 1.727 227 C CB 2.427 30.104 27.740 -0.104 0.000 2.256 227 C HN 0.663 nan 8.230 nan 0.000 0.489 228 E N 0.423 120.584 120.200 -0.066 0.000 2.343 228 E HA 0.278 4.633 4.350 0.009 0.000 0.260 228 E C -1.272 175.244 176.600 -0.140 0.000 0.908 228 E CA -0.283 56.068 56.400 -0.082 0.000 0.814 228 E CB 1.272 31.006 29.700 0.058 0.000 1.302 228 E HN 0.645 nan 8.360 nan 0.000 0.408 229 C N 2.801 121.858 119.300 -0.404 0.000 2.662 229 C HA 0.212 4.678 4.460 0.009 0.000 0.420 229 C C 1.039 175.833 174.990 -0.328 0.000 1.314 229 C CA -0.442 58.187 59.018 -0.648 0.000 1.963 229 C CB -0.427 26.452 27.740 -1.436 0.000 2.686 229 C HN 0.703 nan 8.230 nan 0.000 0.609 230 N N 0.506 119.125 118.700 -0.134 0.000 2.604 230 N HA 0.208 4.953 4.740 0.009 0.000 0.297 230 N C -0.386 175.180 175.510 0.093 0.000 1.266 230 N CA -0.442 52.592 53.050 -0.027 0.000 0.961 230 N CB 0.613 39.132 38.487 0.054 0.000 1.166 230 N HN 0.741 nan 8.380 nan 0.000 0.601 231 E N 0.587 120.823 120.200 0.060 0.000 2.558 231 E HA -0.084 4.272 4.350 0.009 0.000 0.255 231 E C -0.506 176.192 176.600 0.163 0.000 0.968 231 E CA 0.680 57.109 56.400 0.049 0.000 0.939 231 E CB -0.406 29.333 29.700 0.066 0.000 0.921 231 E HN 0.416 nan 8.360 nan 0.000 0.477 232 H N 3.759 122.926 119.070 0.160 0.000 2.626 232 H HA -0.217 4.345 4.556 0.009 0.000 0.317 232 H C 0.652 175.959 175.328 -0.035 0.000 1.140 232 H CA 1.163 57.234 56.048 0.039 0.000 1.134 232 H CB -1.147 28.708 29.762 0.154 0.000 1.486 232 H HN 0.755 nan 8.280 nan 0.000 0.417 233 W N -0.190 121.093 121.300 -0.027 0.000 2.436 233 W HA -0.063 4.603 4.660 0.010 0.000 0.284 233 W C 1.552 178.011 176.519 -0.100 0.000 1.225 233 W CA 0.636 57.959 57.345 -0.036 0.000 1.271 233 W CB -1.166 28.276 29.460 -0.030 0.000 1.114 233 W HN 0.263 nan 8.180 nan 0.000 0.559 234 L N 1.864 122.209 121.223 -1.463 0.000 2.102 234 L HA -0.006 4.340 4.340 0.009 0.000 0.202 234 L C 2.462 178.814 176.870 -0.864 0.000 1.076 234 L CA 2.219 56.171 54.840 -1.481 0.000 0.761 234 L CB -0.941 40.106 42.059 -1.687 0.000 0.921 234 L HN -0.189 nan 8.230 nan 0.000 0.444 235 E N 0.106 119.767 120.200 -0.898 0.000 2.070 235 E HA -0.221 4.135 4.350 0.009 0.000 0.197 235 E C -0.607 175.521 176.600 -0.786 0.000 1.004 235 E CA 2.122 57.858 56.400 -1.107 0.000 0.805 235 E CB -1.561 26.789 29.700 -2.251 0.000 0.744 235 E HN 0.447 nan 8.360 nan 0.000 0.451 236 P HA -0.137 nan 4.420 nan 0.000 0.218 236 P C 0.994 178.209 177.300 -0.140 0.000 1.149 236 P CA 1.061 64.054 63.100 -0.179 0.000 0.817 236 P CB 0.077 31.751 31.700 -0.044 0.000 0.785 237 L N -1.649 119.449 121.223 -0.208 0.000 2.044 237 L HA -0.106 4.240 4.340 0.009 0.000 0.205 237 L C 2.436 179.213 176.870 -0.156 0.000 1.075 237 L CA 1.204 55.960 54.840 -0.140 0.000 0.747 237 L CB -1.062 40.907 42.059 -0.151 0.000 0.903 237 L HN -0.064 nan 8.230 nan 0.000 0.435 238 L N -0.098 120.976 121.223 -0.249 0.000 2.079 238 L HA -0.221 4.124 4.340 0.009 0.000 0.210 238 L C 2.633 179.423 176.870 -0.133 0.000 1.081 238 L CA 1.129 55.842 54.840 -0.211 0.000 0.752 238 L CB -0.478 41.409 42.059 -0.287 0.000 0.896 238 L HN 0.300 nan 8.230 nan 0.000 0.433 239 E N 0.432 120.561 120.200 -0.118 0.000 2.085 239 E HA -0.218 4.138 4.350 0.009 0.000 0.194 239 E C 2.297 178.890 176.600 -0.012 0.000 0.994 239 E CA 1.273 57.660 56.400 -0.022 0.000 0.801 239 E CB 0.057 29.795 29.700 0.063 0.000 0.743 239 E HN 0.155 nan 8.360 nan 0.000 0.453 240 R N -0.002 120.485 120.500 -0.022 0.000 2.073 240 R HA -0.047 4.298 4.340 0.009 0.000 0.234 240 R C 2.457 178.740 176.300 -0.028 0.000 1.134 240 R CA 1.397 57.489 56.100 -0.013 0.000 0.952 240 R CB -1.137 29.159 30.300 -0.006 0.000 0.850 240 R HN 0.239 nan 8.270 nan 0.000 0.433 241 V N 1.227 121.117 119.914 -0.041 0.000 2.548 241 V HA -0.117 4.008 4.120 0.009 0.000 0.249 241 V C 2.475 178.541 176.094 -0.048 0.000 1.055 241 V CA 1.555 63.826 62.300 -0.048 0.000 1.065 241 V CB -0.813 30.982 31.823 -0.047 0.000 0.681 241 V HN 0.284 nan 8.190 nan 0.000 0.462 242 A N -0.194 122.600 122.820 -0.043 0.000 1.969 242 A HA -0.225 4.101 4.320 0.009 0.000 0.218 242 A C 2.277 179.850 177.584 -0.019 0.000 1.169 242 A CA 1.813 53.832 52.037 -0.031 0.000 0.635 242 A CB -0.338 18.647 19.000 -0.024 0.000 0.810 242 A HN 0.625 nan 8.150 nan 0.000 0.445 243 E N -0.911 119.279 120.200 -0.017 0.000 2.076 243 E HA -0.106 4.250 4.350 0.009 0.000 0.190 243 E C -0.409 176.176 176.600 -0.025 0.000 0.979 243 E CA 0.853 57.246 56.400 -0.011 0.000 0.807 243 E CB 0.205 29.904 29.700 -0.001 0.000 0.761 243 E HN 0.394 nan 8.360 nan 0.000 0.454 244 D N -0.825 119.548 120.400 -0.044 0.000 2.602 244 D HA 0.041 4.687 4.640 0.009 0.000 0.245 244 D C 0.431 176.660 176.300 -0.119 0.000 1.325 244 D CA -0.388 53.569 54.000 -0.073 0.000 0.952 244 D CB 0.930 41.690 40.800 -0.066 0.000 1.317 244 D HN 0.181 nan 8.370 nan 0.000 0.577 245 R N 1.369 121.781 120.500 -0.146 0.000 2.293 245 R HA -0.082 4.263 4.340 0.009 0.000 0.219 245 R C 0.975 176.990 176.300 -0.476 0.000 1.091 245 R CA 1.520 57.499 56.100 -0.202 0.000 1.004 245 R CB -0.548 29.669 30.300 -0.137 0.000 0.865 245 R HN 0.287 nan 8.270 nan 0.000 0.469 246 T N -2.087 112.134 114.554 -0.555 0.000 3.144 246 T HA 0.199 4.554 4.350 0.009 0.000 0.249 246 T C 0.521 175.003 174.700 -0.363 0.000 1.089 246 T CA -0.480 61.092 62.100 -0.881 0.000 0.989 246 T CB 0.028 68.557 68.868 -0.564 0.000 0.992 246 T HN 0.165 nan 8.240 nan 0.000 0.540 247 R N 1.016 121.389 120.500 -0.212 0.000 2.254 247 R HA 0.563 4.909 4.340 0.009 0.000 0.318 247 R C -1.130 175.155 176.300 -0.024 0.000 1.031 247 R CA -0.511 55.523 56.100 -0.111 0.000 0.905 247 R CB 1.579 31.834 30.300 -0.076 0.000 1.050 247 R HN 0.127 nan 8.270 nan 0.000 0.456 248 V N 5.198 125.101 119.914 -0.019 0.000 2.347 248 V HA 0.284 4.410 4.120 0.009 0.000 0.280 248 V C 0.073 176.195 176.094 0.046 0.000 1.021 248 V CA -0.663 61.676 62.300 0.065 0.000 0.847 248 V CB 1.339 33.166 31.823 0.008 0.000 0.990 248 V HN 0.559 nan 8.190 nan 0.000 0.444 249 V N 2.701 122.686 119.914 0.118 0.000 2.815 249 V HA 1.033 5.159 4.120 0.009 0.000 0.314 249 V C -0.162 176.044 176.094 0.186 0.000 1.064 249 V CA -0.491 61.877 62.300 0.112 0.000 0.952 249 V CB 2.111 33.976 31.823 0.069 0.000 1.020 249 V HN 0.883 nan 8.190 nan 0.000 0.439 250 S N 2.342 118.146 115.700 0.172 0.000 2.569 250 S HA 0.807 5.282 4.470 0.009 0.000 0.280 250 S C -3.076 171.641 174.600 0.195 0.000 1.111 250 S CA -1.477 56.853 58.200 0.217 0.000 0.887 250 S CB 2.244 65.579 63.200 0.225 0.000 1.095 250 S HN 0.894 nan 8.310 nan 0.000 0.476 251 P HA 0.425 nan 4.420 nan 0.000 0.278 251 P C -0.577 176.839 177.300 0.194 0.000 1.266 251 P CA -0.786 62.436 63.100 0.204 0.000 0.807 251 P CB 0.671 32.520 31.700 0.248 0.000 1.094 252 I N 1.204 121.869 120.570 0.158 0.000 2.496 252 I HA 0.115 4.291 4.170 0.009 0.000 0.285 252 I C 0.703 176.893 176.117 0.120 0.000 1.080 252 I CA -0.294 61.075 61.300 0.114 0.000 1.404 252 I CB 0.139 38.181 38.000 0.069 0.000 1.403 252 I HN 0.109 nan 8.210 nan 0.000 0.539 253 I N 6.492 127.133 120.570 0.119 0.000 2.291 253 I HA 0.122 4.298 4.170 0.009 0.000 0.292 253 I C 0.038 176.224 176.117 0.115 0.000 1.064 253 I CA -0.510 60.896 61.300 0.176 0.000 1.269 253 I CB 0.212 38.428 38.000 0.359 0.000 1.418 253 I HN 0.461 nan 8.210 nan 0.000 0.485 254 D N 5.263 125.687 120.400 0.039 0.000 2.371 254 D HA 0.220 4.865 4.640 0.009 0.000 0.242 254 D C -0.137 176.122 176.300 -0.068 0.000 1.218 254 D CA -0.101 53.827 54.000 -0.121 0.000 0.945 254 D CB 1.680 42.271 40.800 -0.348 0.000 1.137 254 D HN 0.064 nan 8.370 nan 0.000 0.464 255 V N 1.823 121.632 119.914 -0.175 0.000 2.370 255 V HA 0.303 4.428 4.120 0.009 0.000 0.279 255 V C 0.344 176.306 176.094 -0.220 0.000 1.029 255 V CA -0.582 61.698 62.300 -0.034 0.000 0.870 255 V CB 1.059 32.847 31.823 -0.059 0.000 0.984 255 V HN 0.299 nan 8.190 nan 0.000 0.451 256 I N 4.902 125.360 120.570 -0.186 0.000 2.328 256 I HA 0.267 4.443 4.170 0.009 0.000 0.287 256 I C 0.585 176.488 176.117 -0.357 0.000 1.012 256 I CA -0.289 60.831 61.300 -0.301 0.000 1.195 256 I CB 0.923 38.708 38.000 -0.359 0.000 1.350 256 I HN 0.615 nan 8.210 nan 0.000 0.464 257 N N 7.372 125.912 118.700 -0.266 0.000 2.359 257 N HA -0.034 4.711 4.740 0.009 0.000 0.261 257 N C 1.058 176.343 175.510 -0.376 0.000 1.267 257 N CA 0.140 53.066 53.050 -0.207 0.000 0.864 257 N CB 0.874 39.313 38.487 -0.079 0.000 1.063 257 N HN 0.696 nan 8.380 nan 0.000 0.474 258 M N 1.519 120.989 119.600 -0.216 0.000 2.557 258 M HA 0.019 4.504 4.480 0.009 0.000 0.259 258 M C -0.062 176.351 176.300 0.187 0.000 1.086 258 M CA 1.063 56.287 55.300 -0.127 0.000 1.096 258 M CB 0.159 32.799 32.600 0.066 0.000 1.424 258 M HN 0.235 nan 8.290 nan 0.000 0.488 259 D N 1.128 121.635 120.400 0.177 0.000 2.338 259 D HA 0.057 4.702 4.640 0.009 0.000 0.224 259 D C 0.471 176.932 176.300 0.269 0.000 0.967 259 D CA 0.853 55.035 54.000 0.304 0.000 0.896 259 D CB 0.143 41.077 40.800 0.224 0.000 1.028 259 D HN 0.504 nan 8.370 nan 0.000 0.493 260 N N -0.848 117.978 118.700 0.210 0.000 2.184 260 N HA 0.130 4.876 4.740 0.009 0.000 0.234 260 N C -0.562 175.120 175.510 0.287 0.000 1.282 260 N CA -0.189 52.992 53.050 0.218 0.000 0.877 260 N CB 0.712 39.278 38.487 0.131 0.000 1.184 260 N HN -0.165 nan 8.380 nan 0.000 0.510 261 F N 1.061 121.006 119.950 -0.009 0.000 3.093 261 F HA -0.294 4.238 4.527 0.008 0.000 0.283 261 F C 0.575 176.381 175.800 0.009 0.000 0.848 261 F CA 0.578 58.559 58.000 -0.031 0.000 1.059 261 F CB -1.689 37.273 39.000 -0.062 0.000 1.191 261 F HN 0.235 nan 8.300 nan 0.000 0.514 262 Q N 0.369 120.225 119.800 0.094 0.000 2.373 262 Q HA 0.140 4.485 4.340 0.009 0.000 0.255 262 Q C -0.473 175.581 176.000 0.089 0.000 0.980 262 Q CA -0.226 55.637 55.803 0.101 0.000 0.882 262 Q CB 0.977 29.759 28.738 0.074 0.000 1.249 262 Q HN 0.437 nan 8.270 nan 0.000 0.438 263 Y N 2.241 122.544 120.300 0.005 0.000 2.341 263 Y HA 0.439 4.995 4.550 0.010 0.000 0.340 263 Y C -1.189 174.714 175.900 0.004 0.000 0.997 263 Y CA -0.722 57.377 58.100 -0.003 0.000 1.149 263 Y CB 1.041 39.502 38.460 0.001 0.000 1.171 263 Y HN 0.443 nan 8.280 nan 0.000 0.494 264 V N 5.598 125.470 119.914 -0.070 0.000 2.656 264 V HA 0.539 4.664 4.120 0.009 0.000 0.307 264 V C 0.339 176.391 176.094 -0.071 0.000 1.051 264 V CA -0.885 61.416 62.300 0.002 0.000 0.893 264 V CB 1.811 33.620 31.823 -0.024 0.000 0.999 264 V HN 0.997 nan 8.190 nan 0.000 0.426 265 G N 2.567 111.391 108.800 0.039 0.000 2.398 265 G HA2 0.505 4.470 3.960 0.009 0.000 0.246 265 G HA3 0.505 4.470 3.960 0.009 0.000 0.246 265 G C 0.232 175.107 174.900 -0.041 0.000 1.289 265 G CA 0.428 45.544 45.100 0.027 0.000 0.869 265 G HN 1.161 nan 8.290 nan 0.000 0.543 266 A N 2.139 124.915 122.820 -0.074 0.000 2.304 266 A HA 0.635 4.960 4.320 0.009 0.000 0.271 266 A C 0.998 178.520 177.584 -0.104 0.000 1.091 266 A CA 0.032 51.984 52.037 -0.142 0.000 0.812 266 A CB 0.667 19.533 19.000 -0.223 0.000 1.056 266 A HN 1.197 nan 8.150 nan 0.000 0.489 267 S N -0.079 115.544 115.700 -0.127 0.000 2.572 267 S HA 0.353 4.828 4.470 0.009 0.000 0.279 267 S C 0.981 175.515 174.600 -0.111 0.000 1.341 267 S CA 0.054 58.207 58.200 -0.078 0.000 1.043 267 S CB 0.707 63.883 63.200 -0.040 0.000 0.887 267 S HN 1.514 nan 8.310 nan 0.000 0.516 268 A N 3.057 125.837 122.820 -0.067 0.000 2.308 268 A HA 0.251 4.576 4.320 0.009 0.000 0.217 268 A C 0.692 178.207 177.584 -0.115 0.000 1.216 268 A CA -0.045 51.958 52.037 -0.057 0.000 0.864 268 A CB -0.055 18.954 19.000 0.015 0.000 0.902 268 A HN 0.782 nan 8.150 nan 0.000 0.499 269 D N 0.320 120.581 120.400 -0.231 0.000 2.460 269 D HA 0.284 4.929 4.640 0.009 0.000 0.229 269 D C -0.022 175.949 176.300 -0.549 0.000 1.170 269 D CA 0.362 54.108 54.000 -0.423 0.000 0.827 269 D CB 0.132 40.519 40.800 -0.689 0.000 0.973 269 D HN 0.397 nan 8.370 nan 0.000 0.496 270 L N -0.363 120.692 121.223 -0.280 0.000 2.322 270 L HA 0.545 4.891 4.340 0.009 0.000 0.269 270 L C 0.466 177.369 176.870 0.056 0.000 1.012 270 L CA -0.849 53.915 54.840 -0.127 0.000 0.815 270 L CB 1.967 43.981 42.059 -0.075 0.000 1.295 270 L HN -0.380 nan 8.230 nan 0.000 0.438 271 K N -0.212 120.283 120.400 0.157 0.000 2.480 271 K HA 0.565 4.891 4.320 0.009 0.000 0.258 271 K C -0.611 176.119 176.600 0.218 0.000 0.990 271 K CA -0.866 55.522 56.287 0.168 0.000 0.857 271 K CB 2.294 34.807 32.500 0.021 0.000 1.384 271 K HN 0.754 nan 8.250 nan 0.000 0.446 272 G N -0.226 108.664 108.800 0.149 0.000 2.395 272 G HA2 0.585 4.551 3.960 0.009 0.000 0.283 272 G HA3 0.585 4.551 3.960 0.009 0.000 0.283 272 G C -0.342 174.446 174.900 -0.185 0.000 1.178 272 G CA -0.150 44.964 45.100 0.023 0.000 0.837 272 G HN 0.608 nan 8.290 nan 0.000 0.518 273 G N -0.291 108.282 108.800 -0.379 0.000 2.706 273 G HA2 0.860 4.826 3.960 0.009 0.000 0.307 273 G HA3 0.860 4.826 3.960 0.009 0.000 0.307 273 G C -1.352 173.515 174.900 -0.055 0.000 1.307 273 G CA -0.532 44.376 45.100 -0.320 0.000 0.790 273 G HN 1.419 nan 8.290 nan 0.000 0.503 274 F N -1.713 118.269 119.950 0.054 0.000 2.769 274 F HA 0.659 5.191 4.527 0.008 0.000 0.313 274 F C -1.671 174.120 175.800 -0.014 0.000 1.146 274 F CA -1.311 56.698 58.000 0.015 0.000 0.934 274 F CB 0.832 39.872 39.000 0.066 0.000 1.283 274 F HN 0.418 nan 8.300 nan 0.000 0.443 275 D N 0.468 120.943 120.400 0.125 0.000 2.478 275 D HA 0.221 4.867 4.640 0.009 0.000 0.263 275 D C 0.190 176.569 176.300 0.132 0.000 1.153 275 D CA -0.308 53.680 54.000 -0.021 0.000 1.038 275 D CB 0.816 41.663 40.800 0.078 0.000 1.120 275 D HN 0.803 nan 8.370 nan 0.000 0.564 276 W N 0.596 122.074 121.300 0.298 0.000 2.721 276 W HA -0.083 4.580 4.660 0.006 0.000 0.245 276 W C 1.627 178.391 176.519 0.407 0.000 1.276 276 W CA 0.043 57.611 57.345 0.372 0.000 1.342 276 W CB -0.224 29.410 29.460 0.291 0.000 1.135 276 W HN 0.353 nan 8.180 nan 0.000 0.654 277 N N 1.042 120.046 118.700 0.506 0.000 2.461 277 N HA -0.084 4.662 4.740 0.009 0.000 0.188 277 N C 0.648 176.450 175.510 0.488 0.000 1.134 277 N CA 0.585 53.939 53.050 0.507 0.000 0.878 277 N CB -0.778 37.918 38.487 0.348 0.000 0.972 277 N HN 0.282 nan 8.380 nan 0.000 0.456 278 L N -1.130 120.310 121.223 0.363 0.000 3.843 278 L HA -0.177 4.169 4.340 0.009 0.000 0.411 278 L C -0.984 176.015 176.870 0.215 0.000 1.205 278 L CA 0.015 54.932 54.840 0.127 0.000 0.945 278 L CB -2.084 39.837 42.059 -0.229 0.000 1.929 278 L HN 0.006 nan 8.230 nan 0.000 0.934 279 V N 0.594 120.687 119.914 0.298 0.000 2.370 279 V HA 0.295 4.421 4.120 0.009 0.000 0.279 279 V C 0.335 176.570 176.094 0.235 0.000 1.029 279 V CA -0.433 62.038 62.300 0.286 0.000 0.870 279 V CB 1.507 33.443 31.823 0.188 0.000 0.984 279 V HN 0.206 nan 8.190 nan 0.000 0.451 280 F N 7.001 127.005 119.950 0.091 0.000 2.607 280 F HA 0.358 4.889 4.527 0.007 0.000 0.374 280 F C 0.470 176.242 175.800 -0.046 0.000 1.104 280 F CA 0.168 58.168 58.000 0.001 0.000 1.296 280 F CB 0.167 39.107 39.000 -0.099 0.000 1.085 280 F HN 0.616 nan 8.300 nan 0.000 0.584 281 K N 4.290 123.993 120.400 -1.163 0.000 2.522 281 K HA 0.420 4.745 4.320 0.009 0.000 0.275 281 K C -2.142 173.757 176.600 -1.168 0.000 1.006 281 K CA -1.019 54.745 56.287 -0.871 0.000 0.890 281 K CB 1.086 33.412 32.500 -0.290 0.000 1.475 281 K HN 0.617 nan 8.250 nan 0.000 0.441 282 W N 1.394 122.446 121.300 -0.412 0.000 2.390 282 W HA 0.313 4.978 4.660 0.009 0.000 0.312 282 W C -0.647 175.793 176.519 -0.132 0.000 1.123 282 W CA -0.072 57.128 57.345 -0.242 0.000 1.202 282 W CB 1.301 30.707 29.460 -0.089 0.000 1.251 282 W HN 0.418 nan 8.180 nan 0.000 0.511 283 D N 1.797 122.268 120.400 0.118 0.000 2.168 283 D HA 0.151 4.797 4.640 0.009 0.000 0.246 283 D C -1.167 175.212 176.300 0.130 0.000 1.050 283 D CA -0.674 53.382 54.000 0.094 0.000 0.857 283 D CB 1.126 41.941 40.800 0.025 0.000 1.169 283 D HN 0.238 nan 8.370 nan 0.000 0.453 284 Y N 1.542 121.867 120.300 0.041 0.000 2.304 284 Y HA 0.250 4.805 4.550 0.008 0.000 0.328 284 Y C 0.620 176.531 175.900 0.019 0.000 1.123 284 Y CA -0.595 57.522 58.100 0.029 0.000 1.218 284 Y CB 0.733 39.200 38.460 0.013 0.000 1.207 284 Y HN 0.257 nan 8.280 nan 0.000 0.495 285 M N 3.958 123.480 119.600 -0.130 0.000 2.252 285 M HA 0.057 4.542 4.480 0.009 0.000 0.329 285 M C 0.676 177.037 176.300 0.102 0.000 1.101 285 M CA 0.262 55.546 55.300 -0.027 0.000 1.117 285 M CB 0.302 32.842 32.600 -0.101 0.000 1.563 285 M HN 0.772 nan 8.290 nan 0.000 0.445 286 T N -0.255 114.333 114.554 0.056 0.000 2.813 286 T HA 0.196 4.552 4.350 0.009 0.000 0.297 286 T C -2.078 172.656 174.700 0.057 0.000 1.036 286 T CA -1.513 60.622 62.100 0.057 0.000 1.044 286 T CB 0.456 69.335 68.868 0.019 0.000 0.993 286 T HN 0.403 nan 8.240 nan 0.000 0.535 287 P HA -0.107 nan 4.420 nan 0.000 0.216 287 P C 1.537 178.852 177.300 0.026 0.000 1.153 287 P CA 1.063 64.188 63.100 0.042 0.000 0.858 287 P CB 0.068 31.784 31.700 0.027 0.000 0.789 288 E N -0.045 120.162 120.200 0.013 0.000 2.106 288 E HA -0.203 4.153 4.350 0.009 0.000 0.192 288 E C 2.022 178.623 176.600 0.000 0.000 0.984 288 E CA 1.543 57.945 56.400 0.003 0.000 0.806 288 E CB -0.785 28.912 29.700 -0.006 0.000 0.750 288 E HN 0.271 nan 8.360 nan 0.000 0.458 289 Q N -0.248 119.552 119.800 -0.001 0.000 2.084 289 Q HA -0.087 4.258 4.340 0.009 0.000 0.202 289 Q C 2.345 178.342 176.000 -0.005 0.000 0.978 289 Q CA 1.392 57.190 55.803 -0.009 0.000 0.844 289 Q CB -0.131 28.598 28.738 -0.016 0.000 0.898 289 Q HN 0.229 nan 8.270 nan 0.000 0.426 290 R N 0.399 120.902 120.500 0.006 0.000 2.075 290 R HA -0.066 4.279 4.340 0.009 0.000 0.232 290 R C 2.359 178.666 176.300 0.013 0.000 1.126 290 R CA 0.890 56.996 56.100 0.010 0.000 0.963 290 R CB -0.329 29.993 30.300 0.037 0.000 0.858 290 R HN 0.177 nan 8.270 nan 0.000 0.435 291 R N 1.314 121.823 120.500 0.015 0.000 2.081 291 R HA -0.126 4.220 4.340 0.009 0.000 0.235 291 R C 2.249 178.552 176.300 0.006 0.000 1.131 291 R CA 2.076 58.184 56.100 0.012 0.000 0.960 291 R CB -0.198 30.108 30.300 0.011 0.000 0.856 291 R HN 0.270 nan 8.270 nan 0.000 0.436 292 S N -0.057 115.644 115.700 0.001 0.000 2.469 292 S HA -0.077 4.398 4.470 0.009 0.000 0.238 292 S C 1.568 176.166 174.600 -0.003 0.000 0.998 292 S CA 0.699 58.898 58.200 -0.002 0.000 0.957 292 S CB -0.158 63.039 63.200 -0.005 0.000 0.764 292 S HN 0.401 nan 8.310 nan 0.000 0.514 293 R N 0.400 120.898 120.500 -0.004 0.000 2.359 293 R HA 0.273 4.618 4.340 0.009 0.000 0.231 293 R C 2.001 178.294 176.300 -0.012 0.000 0.913 293 R CA 0.072 56.166 56.100 -0.011 0.000 1.075 293 R CB -0.097 30.194 30.300 -0.015 0.000 1.087 293 R HN 0.529 nan 8.270 nan 0.000 0.515 294 Q N -0.132 119.668 119.800 -0.001 0.000 2.224 294 Q HA -0.072 4.273 4.340 0.009 0.000 0.203 294 Q C 2.065 178.064 176.000 -0.001 0.000 0.970 294 Q CA 1.427 57.233 55.803 0.005 0.000 0.865 294 Q CB 0.014 28.760 28.738 0.013 0.000 0.922 294 Q HN 0.463 nan 8.270 nan 0.000 0.445 295 G N 0.837 109.634 108.800 -0.005 0.000 2.408 295 G HA2 -0.205 3.760 3.960 0.009 0.000 0.217 295 G HA3 -0.205 3.760 3.960 0.009 0.000 0.217 295 G C 0.626 175.516 174.900 -0.018 0.000 1.150 295 G CA 0.601 45.697 45.100 -0.006 0.000 0.776 295 G HN 0.225 nan 8.290 nan 0.000 0.542 296 N N -0.429 118.253 118.700 -0.030 0.000 2.653 296 N HA 0.255 5.001 4.740 0.009 0.000 0.261 296 N C -1.934 173.527 175.510 -0.082 0.000 1.216 296 N CA -1.822 51.196 53.050 -0.053 0.000 0.784 296 N CB 1.963 40.429 38.487 -0.035 0.000 1.327 296 N HN -0.117 nan 8.380 nan 0.000 0.539 297 P HA -0.092 nan 4.420 nan 0.000 0.225 297 P C 0.784 177.967 177.300 -0.195 0.000 1.148 297 P CA 0.859 63.851 63.100 -0.179 0.000 0.779 297 P CB 0.297 31.835 31.700 -0.270 0.000 0.780 298 V N -4.374 115.423 119.914 -0.195 0.000 3.271 298 V HA 0.575 4.700 4.120 0.009 0.000 0.327 298 V C 0.920 176.994 176.094 -0.033 0.000 1.389 298 V CA -0.735 61.501 62.300 -0.107 0.000 1.156 298 V CB -0.935 30.829 31.823 -0.098 0.000 1.103 298 V HN -0.008 nan 8.190 nan 0.000 0.453 299 A N 1.428 124.229 122.820 -0.031 0.000 2.406 299 A HA 0.631 4.957 4.320 0.009 0.000 0.243 299 A C -2.121 175.473 177.584 0.017 0.000 1.082 299 A CA -1.024 51.012 52.037 -0.002 0.000 0.786 299 A CB -0.406 18.591 19.000 -0.004 0.000 1.029 299 A HN 0.432 nan 8.150 nan 0.000 0.495 300 P HA 0.206 nan 4.420 nan 0.000 0.268 300 P C -0.863 176.468 177.300 0.053 0.000 1.208 300 P CA 0.404 63.533 63.100 0.049 0.000 0.777 300 P CB 0.325 32.056 31.700 0.052 0.000 0.875 301 I N 2.254 122.865 120.570 0.069 0.000 2.354 301 I HA 0.226 4.401 4.170 0.009 0.000 0.286 301 I C 0.555 176.738 176.117 0.111 0.000 1.007 301 I CA -0.744 60.599 61.300 0.071 0.000 1.167 301 I CB 0.941 38.981 38.000 0.065 0.000 1.320 301 I HN 0.110 nan 8.210 nan 0.000 0.458 302 K N 3.854 124.329 120.400 0.125 0.000 2.412 302 K HA 0.255 4.580 4.320 0.009 0.000 0.281 302 K C 0.024 176.738 176.600 0.190 0.000 1.027 302 K CA 0.180 56.602 56.287 0.226 0.000 0.989 302 K CB 0.959 33.605 32.500 0.244 0.000 0.935 302 K HN 0.473 nan 8.250 nan 0.000 0.475 303 T N 2.997 117.732 114.554 0.302 0.000 2.861 303 T HA 0.305 4.661 4.350 0.009 0.000 0.287 303 T C -2.200 172.672 174.700 0.288 0.000 1.003 303 T CA -2.454 59.764 62.100 0.197 0.000 0.977 303 T CB 1.396 70.381 68.868 0.196 0.000 0.996 303 T HN 0.197 nan 8.240 nan 0.000 0.448 304 P HA 0.090 nan 4.420 nan 0.000 0.220 304 P C 0.050 177.563 177.300 0.354 0.000 1.148 304 P CA 0.842 63.895 63.100 -0.079 0.000 0.803 304 P CB 0.225 31.511 31.700 -0.689 0.000 0.782 305 M N -0.746 119.000 119.600 0.244 0.000 2.465 305 M HA 0.347 4.832 4.480 0.009 0.000 0.284 305 M C -1.470 174.929 176.300 0.165 0.000 1.212 305 M CA -1.300 54.144 55.300 0.239 0.000 0.910 305 M CB 2.176 34.956 32.600 0.299 0.000 1.725 305 M HN -0.296 nan 8.290 nan 0.000 0.477 306 I N 0.735 121.300 120.570 -0.009 0.000 2.577 306 I HA 0.661 4.836 4.170 0.009 0.000 0.305 306 I C 0.889 176.752 176.117 -0.423 0.000 0.986 306 I CA -0.643 60.596 61.300 -0.102 0.000 1.189 306 I CB 1.648 39.547 38.000 -0.169 0.000 1.355 306 I HN 0.865 nan 8.210 nan 0.000 0.476 307 A N 3.802 126.280 122.820 -0.570 0.000 1.948 307 A HA 0.118 4.443 4.320 0.009 0.000 0.220 307 A C 1.979 179.124 177.584 -0.731 0.000 1.177 307 A CA 2.360 53.680 52.037 -1.195 0.000 0.636 307 A CB -1.175 17.554 19.000 -0.451 0.000 0.815 307 A HN 1.655 nan 8.150 nan 0.000 0.449 308 G N -3.549 105.041 108.800 -0.350 0.000 2.491 308 G HA2 -0.080 3.886 3.960 0.009 0.000 0.203 308 G HA3 -0.080 3.886 3.960 0.009 0.000 0.203 308 G C 1.351 176.282 174.900 0.050 0.000 1.052 308 G CA 0.524 45.492 45.100 -0.220 0.000 0.675 308 G HN 1.373 nan 8.290 nan 0.000 0.504 309 G N -0.092 108.734 108.800 0.042 0.000 2.939 309 G HA2 0.473 4.438 3.960 0.009 0.000 0.210 309 G HA3 0.473 4.438 3.960 0.009 0.000 0.210 309 G C 0.146 175.147 174.900 0.169 0.000 1.160 309 G CA 0.684 45.853 45.100 0.115 0.000 0.770 309 G HN 0.614 nan 8.290 nan 0.000 0.543 310 L N 1.128 122.486 121.223 0.224 0.000 2.427 310 L HA 0.632 4.977 4.340 0.009 0.000 0.264 310 L C -0.889 176.212 176.870 0.385 0.000 0.989 310 L CA -0.909 54.063 54.840 0.220 0.000 0.865 310 L CB 1.129 43.268 42.059 0.133 0.000 1.209 310 L HN 0.251 nan 8.230 nan 0.000 0.430 311 F N 1.374 121.425 119.950 0.168 0.000 2.741 311 F HA 0.883 5.415 4.527 0.009 0.000 0.311 311 F C -1.637 174.265 175.800 0.170 0.000 1.149 311 F CA -1.219 56.873 58.000 0.153 0.000 0.930 311 F CB 1.263 40.329 39.000 0.111 0.000 1.312 311 F HN -0.083 nan 8.300 nan 0.000 0.450 312 V N 3.003 123.063 119.914 0.244 0.000 2.604 312 V HA 0.712 4.838 4.120 0.009 0.000 0.305 312 V C -0.645 175.566 176.094 0.194 0.000 1.043 312 V CA -0.593 61.743 62.300 0.061 0.000 0.888 312 V CB 1.803 33.623 31.823 -0.006 0.000 0.995 312 V HN 0.958 nan 8.190 nan 0.000 0.429 313 M N 3.313 122.980 119.600 0.111 0.000 2.365 313 M HA 0.395 4.881 4.480 0.009 0.000 0.287 313 M C -1.167 175.198 176.300 0.109 0.000 1.154 313 M CA -0.513 54.914 55.300 0.211 0.000 0.941 313 M CB 2.052 34.911 32.600 0.433 0.000 1.704 313 M HN 0.834 nan 8.290 nan 0.000 0.479 314 D N 3.927 124.411 120.400 0.141 0.000 2.493 314 D HA -0.030 4.615 4.640 0.009 0.000 0.240 314 D C 0.400 176.781 176.300 0.134 0.000 1.142 314 D CA 0.717 54.770 54.000 0.089 0.000 0.872 314 D CB 1.189 42.057 40.800 0.113 0.000 1.173 314 D HN 0.767 nan 8.370 nan 0.000 0.467 315 K N 3.212 123.595 120.400 -0.028 0.000 2.026 315 K HA -0.183 4.143 4.320 0.009 0.000 0.208 315 K C 1.849 178.547 176.600 0.163 0.000 1.048 315 K CA 1.206 57.482 56.287 -0.018 0.000 0.929 315 K CB -0.095 32.265 32.500 -0.233 0.000 0.713 315 K HN 0.380 nan 8.250 nan 0.000 0.439 316 F N 0.073 120.110 119.950 0.145 0.000 2.171 316 F HA -0.163 4.370 4.527 0.009 0.000 0.300 316 F C 2.266 178.177 175.800 0.184 0.000 1.090 316 F CA 0.866 58.948 58.000 0.137 0.000 1.293 316 F CB -1.045 38.016 39.000 0.102 0.000 1.013 316 F HN 0.160 nan 8.300 nan 0.000 0.486 317 Y N -0.913 119.540 120.300 0.255 0.000 2.200 317 Y HA -0.305 4.250 4.550 0.009 0.000 0.290 317 Y C 2.602 178.592 175.900 0.150 0.000 1.137 317 Y CA 1.327 59.522 58.100 0.159 0.000 1.163 317 Y CB -0.477 38.053 38.460 0.117 0.000 0.988 317 Y HN 0.023 nan 8.280 nan 0.000 0.518 318 F N 1.396 121.376 119.950 0.049 0.000 2.126 318 F HA -0.242 4.290 4.527 0.008 0.000 0.299 318 F C 2.013 177.767 175.800 -0.077 0.000 1.096 318 F CA 2.262 60.227 58.000 -0.058 0.000 1.255 318 F CB -0.418 38.612 39.000 0.050 0.000 0.997 318 F HN 0.128 nan 8.300 nan 0.000 0.479 319 E N 0.120 120.364 120.200 0.074 0.000 2.015 319 E HA -0.244 4.111 4.350 0.009 0.000 0.191 319 E C 2.169 178.710 176.600 -0.099 0.000 0.991 319 E CA 1.503 57.892 56.400 -0.017 0.000 0.802 319 E CB -0.467 29.341 29.700 0.179 0.000 0.759 319 E HN 0.688 nan 8.360 nan 0.000 0.447 320 E N 0.884 121.068 120.200 -0.027 0.000 2.204 320 E HA -0.191 4.165 4.350 0.009 0.000 0.195 320 E C 1.970 178.489 176.600 -0.135 0.000 0.990 320 E CA 0.741 57.112 56.400 -0.049 0.000 0.821 320 E CB -0.141 29.573 29.700 0.023 0.000 0.750 320 E HN 0.127 nan 8.360 nan 0.000 0.477 321 L N 0.291 121.346 121.223 -0.280 0.000 2.478 321 L HA 0.181 4.526 4.340 0.009 0.000 0.223 321 L C 1.270 177.975 176.870 -0.274 0.000 1.140 321 L CA 1.499 56.134 54.840 -0.341 0.000 0.842 321 L CB 0.386 42.066 42.059 -0.632 0.000 0.953 321 L HN 0.429 nan 8.230 nan 0.000 0.452 322 G N -1.467 107.152 108.800 -0.303 0.000 2.151 322 G HA2 -0.221 3.744 3.960 0.009 0.000 0.140 322 G HA3 -0.221 3.744 3.960 0.009 0.000 0.140 322 G C 0.700 175.352 174.900 -0.413 0.000 1.020 322 G CA 0.131 45.077 45.100 -0.257 0.000 0.688 322 G HN 0.260 nan 8.290 nan 0.000 0.500 323 K N -2.014 117.901 120.400 -0.809 0.000 1.754 323 K HA -0.324 4.001 4.320 0.009 0.000 0.133 323 K C 0.435 176.507 176.600 -0.880 0.000 0.942 323 K CA 2.201 57.664 56.287 -1.373 0.000 0.309 323 K CB -0.731 31.404 32.500 -0.607 0.000 0.695 323 K HN 0.504 nan 8.250 nan 0.000 0.828 324 Y N 0.264 120.403 120.300 -0.269 0.000 2.576 324 Y HA 0.177 4.734 4.550 0.011 0.000 0.346 324 Y C -0.370 175.478 175.900 -0.087 0.000 1.018 324 Y CA -1.128 56.895 58.100 -0.127 0.000 1.050 324 Y CB 1.858 40.298 38.460 -0.034 0.000 1.280 324 Y HN 0.350 nan 8.280 nan 0.000 0.474 325 D N 2.224 122.708 120.400 0.140 0.000 2.342 325 D HA 0.030 4.676 4.640 0.009 0.000 0.260 325 D C 0.738 177.068 176.300 0.049 0.000 1.278 325 D CA 0.203 54.245 54.000 0.071 0.000 0.910 325 D CB 0.798 41.633 40.800 0.059 0.000 1.079 325 D HN 0.445 nan 8.370 nan 0.000 0.496 326 M N 3.430 123.057 119.600 0.045 0.000 2.539 326 M HA -0.104 4.381 4.480 0.009 0.000 0.261 326 M C 1.467 177.773 176.300 0.010 0.000 1.069 326 M CA 0.909 56.228 55.300 0.030 0.000 1.081 326 M CB -0.404 32.213 32.600 0.029 0.000 1.412 326 M HN 0.569 nan 8.290 nan 0.000 0.482 327 M N -1.288 118.320 119.600 0.013 0.000 2.561 327 M HA 0.102 4.587 4.480 0.009 0.000 0.238 327 M C 0.357 176.659 176.300 0.004 0.000 1.131 327 M CA 0.133 55.440 55.300 0.012 0.000 1.046 327 M CB 0.077 32.693 32.600 0.027 0.000 1.532 327 M HN 0.133 nan 8.290 nan 0.000 0.497 328 M N 1.087 120.676 119.600 -0.018 0.000 2.217 328 M HA 0.109 4.594 4.480 0.009 0.000 0.354 328 M C -0.682 175.590 176.300 -0.047 0.000 1.225 328 M CA 0.325 55.599 55.300 -0.044 0.000 1.137 328 M CB 0.566 33.105 32.600 -0.102 0.000 1.576 328 M HN -0.060 nan 8.290 nan 0.000 0.461 329 D N 1.748 122.138 120.400 -0.017 0.000 2.252 329 D HA 0.474 5.119 4.640 0.009 0.000 0.245 329 D C 0.985 177.287 176.300 0.003 0.000 1.009 329 D CA -0.422 53.570 54.000 -0.013 0.000 0.870 329 D CB 1.955 42.770 40.800 0.026 0.000 1.251 329 D HN 0.515 nan 8.370 nan 0.000 0.460 330 V N -0.414 119.446 119.914 -0.089 0.000 0.643 330 V HA -0.295 3.830 4.120 0.009 0.000 0.092 330 V C 0.387 176.470 176.094 -0.019 0.000 1.388 330 V CA 2.201 64.391 62.300 -0.183 0.000 3.247 330 V CB -1.388 30.217 31.823 -0.362 0.000 0.496 330 V HN 0.822 nan 8.190 nan 0.000 0.497 331 W N -0.621 120.667 121.300 -0.020 0.000 3.146 331 W HA 0.572 5.237 4.660 0.009 0.000 0.319 331 W C -0.134 176.538 176.519 0.255 0.000 1.258 331 W CA 0.880 58.282 57.345 0.096 0.000 1.189 331 W CB 1.583 31.125 29.460 0.138 0.000 1.412 331 W HN 1.955 nan 8.180 nan 0.000 0.567 332 G N 1.761 110.066 108.800 -0.825 0.000 2.895 332 G HA2 0.430 4.396 3.960 0.009 0.000 0.686 332 G HA3 0.430 4.396 3.960 0.009 0.000 0.686 332 G C 0.579 175.175 174.900 -0.506 0.000 1.108 332 G CA 0.620 45.274 45.100 -0.744 0.000 0.761 332 G HN 2.383 nan 8.290 nan 0.000 0.611 333 G N 0.839 109.305 108.800 -0.557 0.000 2.267 333 G HA2 -0.203 3.763 3.960 0.009 0.000 0.257 333 G HA3 -0.203 3.763 3.960 0.009 0.000 0.257 333 G C 1.329 175.964 174.900 -0.442 0.000 0.998 333 G CA 1.505 46.278 45.100 -0.544 0.000 0.620 333 G HN 2.171 nan 8.290 nan 0.000 0.529 334 E N 2.232 122.173 120.200 -0.431 0.000 2.216 334 E HA -0.114 4.241 4.350 0.009 0.000 0.192 334 E C 2.033 178.442 176.600 -0.318 0.000 0.988 334 E CA 1.666 57.845 56.400 -0.369 0.000 0.834 334 E CB -0.654 28.717 29.700 -0.548 0.000 0.772 334 E HN 0.617 nan 8.360 nan 0.000 0.479 335 N N 1.554 120.024 118.700 -0.383 0.000 2.216 335 N HA -0.150 4.596 4.740 0.009 0.000 0.183 335 N C 2.073 177.321 175.510 -0.437 0.000 1.017 335 N CA 1.075 53.901 53.050 -0.373 0.000 0.861 335 N CB -0.873 37.371 38.487 -0.405 0.000 0.986 335 N HN 0.224 nan 8.380 nan 0.000 0.428 336 L N 0.950 121.857 121.223 -0.527 0.000 2.027 336 L HA -0.025 4.320 4.340 0.009 0.000 0.206 336 L C 2.499 178.793 176.870 -0.961 0.000 1.074 336 L CA 1.639 55.978 54.840 -0.835 0.000 0.745 336 L CB -0.619 40.936 42.059 -0.840 0.000 0.898 336 L HN 0.142 nan 8.230 nan 0.000 0.433 337 E N 0.059 119.898 120.200 -0.601 0.000 2.051 337 E HA -0.278 4.077 4.350 0.009 0.000 0.192 337 E C 2.287 178.594 176.600 -0.488 0.000 0.991 337 E CA 2.000 58.126 56.400 -0.457 0.000 0.799 337 E CB -0.326 29.242 29.700 -0.219 0.000 0.748 337 E HN 0.650 nan 8.360 nan 0.000 0.449 338 I N 0.431 120.787 120.570 -0.356 0.000 2.546 338 I HA -0.204 3.971 4.170 0.009 0.000 0.255 338 I C 2.114 178.018 176.117 -0.356 0.000 1.163 338 I CA 0.729 61.822 61.300 -0.345 0.000 1.457 338 I CB 0.023 37.862 38.000 -0.269 0.000 1.092 338 I HN -0.000 nan 8.210 nan 0.000 0.434 339 S N 0.770 116.263 115.700 -0.345 0.000 2.355 339 S HA -0.111 4.364 4.470 0.009 0.000 0.222 339 S C 1.696 176.339 174.600 0.072 0.000 1.031 339 S CA 1.210 59.325 58.200 -0.143 0.000 0.993 339 S CB -0.315 62.813 63.200 -0.120 0.000 0.859 339 S HN 0.377 nan 8.310 nan 0.000 0.453 340 F N 1.763 121.560 119.950 -0.255 0.000 2.102 340 F HA 0.039 4.571 4.527 0.009 0.000 0.298 340 F C 2.470 177.985 175.800 -0.476 0.000 1.105 340 F CA 0.764 58.553 58.000 -0.351 0.000 1.239 340 F CB -1.089 37.655 39.000 -0.426 0.000 0.991 340 F HN 0.125 nan 8.300 nan 0.000 0.474 341 R N 0.460 120.519 120.500 -0.735 0.000 2.083 341 R HA -0.132 4.214 4.340 0.009 0.000 0.237 341 R C 2.127 178.217 176.300 -0.349 0.000 1.137 341 R CA 1.671 57.179 56.100 -0.987 0.000 0.951 341 R CB -0.591 29.124 30.300 -0.975 0.000 0.851 341 R HN 0.124 nan 8.270 nan 0.000 0.434 342 V N -0.292 119.481 119.914 -0.236 0.000 2.295 342 V HA -0.258 3.867 4.120 0.009 0.000 0.246 342 V C 1.914 178.017 176.094 0.013 0.000 1.049 342 V CA 2.075 64.288 62.300 -0.143 0.000 1.024 342 V CB -0.614 31.070 31.823 -0.231 0.000 0.648 342 V HN 0.471 nan 8.190 nan 0.000 0.447 343 W N -0.087 121.306 121.300 0.154 0.000 2.378 343 W HA -0.170 4.495 4.660 0.008 0.000 0.313 343 W C 2.783 179.513 176.519 0.352 0.000 1.197 343 W CA 1.243 58.794 57.345 0.342 0.000 1.304 343 W CB -0.308 29.481 29.460 0.548 0.000 1.148 343 W HN 0.173 nan 8.180 nan 0.000 0.494 344 Q N -1.165 118.962 119.800 0.546 0.000 2.226 344 Q HA -0.166 4.180 4.340 0.009 0.000 0.204 344 Q C 1.500 177.578 176.000 0.130 0.000 0.975 344 Q CA 1.137 57.144 55.803 0.339 0.000 0.866 344 Q CB -0.319 28.668 28.738 0.416 0.000 0.915 344 Q HN 0.276 nan 8.270 nan 0.000 0.440 345 c N -0.485 118.195 118.600 0.133 0.000 2.614 345 c HA 0.444 5.019 4.570 0.009 0.000 0.299 345 c C 1.417 175.556 174.090 0.081 0.000 1.293 345 c CA 0.089 56.475 56.329 0.095 0.000 1.713 345 c CB -0.609 41.961 42.510 0.101 0.000 1.890 345 c HN 0.764 nan 8.230 nan 0.000 0.602 346 G N 0.357 109.207 108.800 0.084 0.000 2.238 346 G HA2 -0.061 3.904 3.960 0.009 0.000 0.217 346 G HA3 -0.061 3.904 3.960 0.009 0.000 0.217 346 G C 0.434 175.406 174.900 0.120 0.000 0.996 346 G CA -0.011 45.145 45.100 0.094 0.000 0.632 346 G HN 0.739 nan 8.290 nan 0.000 0.503 347 G N -0.162 108.714 108.800 0.126 0.000 2.574 347 G HA2 0.813 4.779 3.960 0.009 0.000 0.248 347 G HA3 0.813 4.779 3.960 0.009 0.000 0.248 347 G C 0.205 174.961 174.900 -0.240 0.000 1.422 347 G CA 0.837 45.947 45.100 0.017 0.000 1.051 347 G HN 1.780 nan 8.290 nan 0.000 0.560 348 S N -1.844 113.561 115.700 -0.491 0.000 2.570 348 S HA 0.674 5.150 4.470 0.009 0.000 0.270 348 S C -1.245 172.829 174.600 -0.877 0.000 1.149 348 S CA -0.849 56.655 58.200 -1.159 0.000 0.837 348 S CB 1.545 64.397 63.200 -0.579 0.000 1.124 348 S HN 0.535 nan 8.310 nan 0.000 0.465 349 L N 1.117 121.753 121.223 -0.979 0.000 2.346 349 L HA 0.701 5.046 4.340 0.009 0.000 0.276 349 L C -0.310 176.568 176.870 0.013 0.000 1.006 349 L CA -0.495 54.168 54.840 -0.294 0.000 0.817 349 L CB 1.846 43.843 42.059 -0.104 0.000 1.272 349 L HN 0.784 nan 8.230 nan 0.000 0.421 350 E N 3.182 123.405 120.200 0.038 0.000 2.340 350 E HA 0.574 4.930 4.350 0.009 0.000 0.273 350 E C -1.290 175.379 176.600 0.114 0.000 0.891 350 E CA -0.730 55.727 56.400 0.095 0.000 0.757 350 E CB 3.401 33.140 29.700 0.065 0.000 1.231 350 E HN 0.414 nan 8.360 nan 0.000 0.439 351 I N 2.890 123.538 120.570 0.130 0.000 2.378 351 I HA 0.282 4.457 4.170 0.009 0.000 0.291 351 I C -0.660 175.524 176.117 0.111 0.000 0.992 351 I CA -0.851 60.536 61.300 0.145 0.000 1.154 351 I CB 1.054 39.158 38.000 0.173 0.000 1.315 351 I HN 0.308 nan 8.210 nan 0.000 0.448 352 I N 8.963 129.599 120.570 0.110 0.000 2.337 352 I HA 0.253 4.428 4.170 0.009 0.000 0.285 352 I C -1.675 174.500 176.117 0.096 0.000 1.041 352 I CA -2.437 58.917 61.300 0.090 0.000 1.199 352 I CB 0.808 38.855 38.000 0.078 0.000 1.370 352 I HN 0.264 nan 8.210 nan 0.000 0.470 353 P HA -0.123 nan 4.420 nan 0.000 0.217 353 P C 1.435 178.800 177.300 0.109 0.000 1.151 353 P CA 1.551 64.700 63.100 0.082 0.000 0.849 353 P CB 0.340 32.070 31.700 0.050 0.000 0.787 354 c N -1.813 116.853 118.600 0.111 0.000 2.522 354 c HA 0.147 4.723 4.570 0.009 0.000 0.271 354 c C 1.449 175.632 174.090 0.155 0.000 1.425 354 c CA 0.169 56.583 56.329 0.142 0.000 1.751 354 c CB -1.657 40.945 42.510 0.153 0.000 1.775 354 c HN 0.190 nan 8.230 nan 0.000 0.557 355 S N 1.450 117.237 115.700 0.145 0.000 2.429 355 S HA 0.524 5.000 4.470 0.009 0.000 0.302 355 S C -0.507 174.222 174.600 0.214 0.000 1.115 355 S CA -0.332 57.977 58.200 0.181 0.000 1.095 355 S CB 0.043 63.334 63.200 0.151 0.000 0.987 355 S HN 0.409 nan 8.310 nan 0.000 0.474 356 R N 3.427 124.079 120.500 0.253 0.000 2.561 356 R HA 0.621 4.967 4.340 0.009 0.000 0.297 356 R C -1.552 174.878 176.300 0.217 0.000 0.969 356 R CA -0.634 55.601 56.100 0.225 0.000 0.879 356 R CB 1.802 32.235 30.300 0.222 0.000 1.178 356 R HN 0.478 nan 8.270 nan 0.000 0.445 357 V N 1.242 121.259 119.914 0.171 0.000 2.668 357 V HA 0.465 4.591 4.120 0.009 0.000 0.304 357 V C 0.412 176.564 176.094 0.097 0.000 1.071 357 V CA -1.084 61.262 62.300 0.076 0.000 0.894 357 V CB 2.211 34.017 31.823 -0.028 0.000 1.008 357 V HN 0.902 nan 8.190 nan 0.000 0.425 358 G N 1.986 110.865 108.800 0.131 0.000 2.476 358 G HA2 0.533 4.498 3.960 0.009 0.000 0.269 358 G HA3 0.533 4.498 3.960 0.009 0.000 0.269 358 G C -0.768 174.128 174.900 -0.007 0.000 1.195 358 G CA -0.077 44.971 45.100 -0.086 0.000 0.843 358 G HN 0.846 nan 8.290 nan 0.000 0.545 359 H N 0.606 119.570 119.070 -0.176 0.000 2.865 359 H HA 0.267 4.827 4.556 0.008 0.000 0.362 359 H C -1.238 173.892 175.328 -0.330 0.000 1.114 359 H CA -0.614 55.273 56.048 -0.268 0.000 1.208 359 H CB 2.278 31.755 29.762 -0.475 0.000 1.727 359 H HN 0.256 nan 8.280 nan 0.000 0.534 360 V N 6.785 126.202 119.914 -0.829 0.000 2.352 360 V HA 0.068 4.194 4.120 0.009 0.000 0.253 360 V C 0.027 175.649 176.094 -0.786 0.000 1.083 360 V CA 0.045 61.902 62.300 -0.737 0.000 0.993 360 V CB -1.302 30.052 31.823 -0.781 0.000 1.111 360 V HN 0.406 nan 8.190 nan 0.000 0.490 361 F N 4.513 124.316 119.950 -0.245 0.000 2.443 361 F HA 0.498 5.029 4.527 0.007 0.000 0.353 361 F C 1.046 176.832 175.800 -0.023 0.000 1.101 361 F CA 0.062 58.088 58.000 0.044 0.000 1.226 361 F CB 0.579 39.690 39.000 0.184 0.000 1.140 361 F HN 0.345 nan 8.300 nan 0.000 0.557 362 R N 1.530 122.139 120.500 0.181 0.000 2.939 362 R HA 0.447 4.793 4.340 0.009 0.000 0.254 362 R C 0.464 176.787 176.300 0.037 0.000 1.123 362 R CA -1.050 55.096 56.100 0.078 0.000 1.020 362 R CB 1.523 31.831 30.300 0.013 0.000 1.206 362 R HN 0.414 nan 8.270 nan 0.000 0.491 363 K N 0.452 120.833 120.400 -0.031 0.000 2.360 363 K HA 0.136 4.461 4.320 0.009 0.000 0.196 363 K C -0.101 176.391 176.600 -0.180 0.000 1.049 363 K CA 0.458 56.700 56.287 -0.074 0.000 1.049 363 K CB 0.916 33.385 32.500 -0.053 0.000 0.881 363 K HN 0.468 nan 8.250 nan 0.000 0.542 364 Q N 0.054 119.715 119.800 -0.231 0.000 2.353 364 Q HA 0.175 4.520 4.340 0.009 0.000 0.275 364 Q C -1.413 174.356 176.000 -0.385 0.000 1.029 364 Q CA -0.600 55.010 55.803 -0.322 0.000 0.848 364 Q CB 1.594 30.221 28.738 -0.185 0.000 1.390 364 Q HN 0.147 nan 8.270 nan 0.000 0.401 365 H N 3.331 122.208 119.070 -0.322 0.000 2.683 365 H HA 0.130 4.690 4.556 0.006 0.000 0.339 365 H C -1.655 173.404 175.328 -0.447 0.000 1.081 365 H CA -1.471 54.258 56.048 -0.532 0.000 1.432 365 H CB 1.162 30.507 29.762 -0.695 0.000 1.462 365 H HN 0.504 nan 8.280 nan 0.000 0.557 366 P HA -0.054 nan 4.420 nan 0.000 0.235 366 P C -0.101 177.175 177.300 -0.041 0.000 1.177 366 P CA 0.603 63.614 63.100 -0.149 0.000 0.785 366 P CB 0.285 31.919 31.700 -0.110 0.000 0.885 367 Y N -0.095 120.297 120.300 0.153 0.000 2.458 367 Y HA 0.580 5.137 4.550 0.012 0.000 0.322 367 Y C 0.839 176.831 175.900 0.153 0.000 1.259 367 Y CA -1.607 56.587 58.100 0.156 0.000 1.302 367 Y CB -0.975 37.621 38.460 0.226 0.000 1.314 367 Y HN -0.281 nan 8.280 nan 0.000 0.509 368 T N -0.954 113.820 114.554 0.365 0.000 2.913 368 T HA 0.493 4.848 4.350 0.009 0.000 0.297 368 T C -1.068 173.740 174.700 0.180 0.000 1.029 368 T CA -0.381 61.885 62.100 0.276 0.000 1.104 368 T CB 0.063 69.045 68.868 0.191 0.000 0.964 368 T HN 0.482 nan 8.240 nan 0.000 0.532 369 F N 2.215 122.255 119.950 0.150 0.000 2.496 369 F HA 0.407 4.949 4.527 0.024 0.000 0.341 369 F C -2.309 173.550 175.800 0.098 0.000 1.134 369 F CA -2.485 55.595 58.000 0.133 0.000 0.968 369 F CB 2.060 41.151 39.000 0.152 0.000 1.205 369 F HN 0.412 nan 8.300 nan 0.000 0.436 370 P HA 0.196 nan 4.420 nan 0.000 0.265 370 P C 0.676 178.075 177.300 0.166 0.000 1.222 370 P CA 0.862 64.049 63.100 0.146 0.000 0.767 370 P CB 0.636 32.387 31.700 0.085 0.000 0.801 371 G N 2.530 111.416 108.800 0.144 0.000 2.195 371 G HA2 0.081 4.047 3.960 0.009 0.000 0.246 371 G HA3 0.081 4.047 3.960 0.009 0.000 0.246 371 G C 0.410 175.392 174.900 0.136 0.000 0.984 371 G CA 0.019 45.195 45.100 0.127 0.000 0.633 371 G HN 1.043 nan 8.290 nan 0.000 0.525 372 G N -1.244 107.661 108.800 0.175 0.000 2.788 372 G HA2 0.345 4.310 3.960 0.009 0.000 0.686 372 G HA3 0.345 4.310 3.960 0.009 0.000 0.686 372 G C 0.942 175.885 174.900 0.071 0.000 1.147 372 G CA 0.848 46.023 45.100 0.125 0.000 0.755 372 G HN 1.887 nan 8.290 nan 0.000 0.634 373 S N 0.621 116.206 115.700 -0.192 0.000 2.383 373 S HA -0.011 4.465 4.470 0.009 0.000 0.229 373 S C 2.629 177.134 174.600 -0.159 0.000 1.030 373 S CA 2.106 59.900 58.200 -0.677 0.000 1.002 373 S CB -0.520 62.060 63.200 -1.032 0.000 0.829 373 S HN 2.206 nan 8.310 nan 0.000 0.467 374 G N 1.389 110.164 108.800 -0.040 0.000 2.421 374 G HA2 -0.140 3.825 3.960 0.009 0.000 0.216 374 G HA3 -0.140 3.825 3.960 0.009 0.000 0.216 374 G C 1.496 176.501 174.900 0.176 0.000 1.171 374 G CA 1.442 46.593 45.100 0.084 0.000 0.775 374 G HN 0.556 nan 8.290 nan 0.000 0.543 375 T N 0.758 115.399 114.554 0.144 0.000 2.737 375 T HA -0.080 4.276 4.350 0.009 0.000 0.265 375 T C 2.581 177.402 174.700 0.202 0.000 1.038 375 T CA 1.183 63.382 62.100 0.165 0.000 1.144 375 T CB -0.296 68.654 68.868 0.136 0.000 0.866 375 T HN 0.049 nan 8.240 nan 0.000 0.434 376 V N 1.211 121.266 119.914 0.234 0.000 2.287 376 V HA -0.151 3.974 4.120 0.009 0.000 0.248 376 V C 2.022 178.287 176.094 0.285 0.000 1.053 376 V CA 1.721 64.193 62.300 0.288 0.000 1.027 376 V CB -0.759 31.353 31.823 0.480 0.000 0.646 376 V HN 0.418 nan 8.190 nan 0.000 0.447 377 F N 1.351 121.418 119.950 0.195 0.000 2.126 377 F HA -0.169 4.365 4.527 0.011 0.000 0.299 377 F C 2.274 178.163 175.800 0.148 0.000 1.096 377 F CA 1.477 59.589 58.000 0.187 0.000 1.255 377 F CB -0.516 38.615 39.000 0.219 0.000 0.997 377 F HN 0.072 nan 8.300 nan 0.000 0.479 378 A N 0.385 123.359 122.820 0.256 0.000 1.902 378 A HA -0.199 4.127 4.320 0.009 0.000 0.217 378 A C 2.361 180.015 177.584 0.116 0.000 1.181 378 A CA 1.703 53.870 52.037 0.217 0.000 0.623 378 A CB -0.854 18.314 19.000 0.280 0.000 0.818 378 A HN 0.470 nan 8.150 nan 0.000 0.443 379 R N -0.250 120.323 120.500 0.122 0.000 2.073 379 R HA -0.160 4.185 4.340 0.009 0.000 0.234 379 R C 1.842 178.159 176.300 0.028 0.000 1.134 379 R CA 1.826 57.999 56.100 0.122 0.000 0.952 379 R CB -0.317 30.066 30.300 0.139 0.000 0.850 379 R HN 0.518 nan 8.270 nan 0.000 0.433 380 N N -0.214 118.453 118.700 -0.055 0.000 2.120 380 N HA -0.122 4.623 4.740 0.009 0.000 0.188 380 N C 1.666 177.016 175.510 -0.267 0.000 1.024 380 N CA 2.052 55.013 53.050 -0.148 0.000 0.852 380 N CB -0.689 37.679 38.487 -0.198 0.000 1.003 380 N HN 0.250 nan 8.380 nan 0.000 0.424 381 T N 1.356 115.655 114.554 -0.425 0.000 2.788 381 T HA -0.032 4.323 4.350 0.009 0.000 0.268 381 T C 1.954 176.426 174.700 -0.381 0.000 1.044 381 T CA 0.836 62.614 62.100 -0.537 0.000 1.139 381 T CB 0.014 68.422 68.868 -0.766 0.000 0.867 381 T HN 0.263 nan 8.240 nan 0.000 0.454 382 R N 0.778 121.167 120.500 -0.184 0.000 2.096 382 R HA 0.023 4.368 4.340 0.009 0.000 0.235 382 R C 2.718 178.823 176.300 -0.326 0.000 1.127 382 R CA 1.059 57.063 56.100 -0.161 0.000 0.968 382 R CB -0.201 30.065 30.300 -0.057 0.000 0.861 382 R HN 0.369 nan 8.270 nan 0.000 0.440 383 R N 0.117 120.493 120.500 -0.206 0.000 2.096 383 R HA -0.087 4.258 4.340 0.009 0.000 0.235 383 R C 2.256 178.513 176.300 -0.072 0.000 1.127 383 R CA 1.375 57.408 56.100 -0.112 0.000 0.968 383 R CB -0.251 30.059 30.300 0.016 0.000 0.861 383 R HN 0.203 nan 8.270 nan 0.000 0.440 384 A N 1.092 123.859 122.820 -0.090 0.000 1.872 384 A HA 0.011 4.336 4.320 0.009 0.000 0.214 384 A C 2.357 179.988 177.584 0.077 0.000 1.187 384 A CA 1.307 53.368 52.037 0.041 0.000 0.614 384 A CB -0.556 18.364 19.000 -0.133 0.000 0.826 384 A HN 0.351 nan 8.150 nan 0.000 0.442 385 A N -0.288 122.458 122.820 -0.123 0.000 1.902 385 A HA -0.147 4.179 4.320 0.009 0.000 0.217 385 A C 1.883 179.392 177.584 -0.125 0.000 1.181 385 A CA 1.688 53.632 52.037 -0.154 0.000 0.623 385 A CB -0.453 18.366 19.000 -0.301 0.000 0.818 385 A HN 0.432 nan 8.150 nan 0.000 0.443 386 E N -0.266 119.837 120.200 -0.162 0.000 2.265 386 E HA -0.082 4.274 4.350 0.009 0.000 0.196 386 E C 2.001 178.511 176.600 -0.149 0.000 0.996 386 E CA 1.182 57.490 56.400 -0.152 0.000 0.832 386 E CB -0.216 29.305 29.700 -0.298 0.000 0.756 386 E HN 0.451 nan 8.360 nan 0.000 0.491 387 V N -1.474 118.326 119.914 -0.191 0.000 2.685 387 V HA -0.070 4.055 4.120 0.009 0.000 0.244 387 V C 1.414 177.108 176.094 -0.667 0.000 1.054 387 V CA 0.982 63.026 62.300 -0.427 0.000 1.076 387 V CB -0.244 31.270 31.823 -0.515 0.000 0.725 387 V HN 0.254 nan 8.190 nan 0.000 0.467 388 W N -1.567 119.705 121.300 -0.046 0.000 2.842 388 W HA 0.302 4.967 4.660 0.007 0.000 0.267 388 W C 2.071 178.472 176.519 -0.197 0.000 1.219 388 W CA -0.043 57.276 57.345 -0.043 0.000 1.458 388 W CB -0.041 29.459 29.460 0.066 0.000 1.006 388 W HN 0.049 nan 8.180 nan 0.000 0.603 389 M N 0.514 119.968 119.600 -0.243 0.000 2.618 389 M HA -0.003 4.483 4.480 0.009 0.000 0.240 389 M C 0.025 176.272 176.300 -0.088 0.000 1.123 389 M CA 0.702 55.621 55.300 -0.636 0.000 1.060 389 M CB -0.513 31.646 32.600 -0.735 0.000 1.535 389 M HN -0.126 nan 8.290 nan 0.000 0.507 390 D N 0.819 121.222 120.400 0.004 0.000 3.321 390 D HA -0.261 4.385 4.640 0.009 0.000 0.178 390 D C 0.694 176.993 176.300 -0.001 0.000 1.208 390 D CA 1.807 55.841 54.000 0.058 0.000 1.074 390 D CB -0.517 40.398 40.800 0.191 0.000 0.560 390 D HN 0.274 nan 8.370 nan 0.000 0.618 391 E N -0.676 119.487 120.200 -0.062 0.000 2.265 391 E HA -0.132 4.224 4.350 0.009 0.000 0.196 391 E C 1.930 178.294 176.600 -0.393 0.000 0.996 391 E CA 0.984 57.236 56.400 -0.246 0.000 0.832 391 E CB -0.281 29.217 29.700 -0.337 0.000 0.756 391 E HN 0.459 nan 8.360 nan 0.000 0.491 392 Y N 1.463 121.719 120.300 -0.072 0.000 2.574 392 Y HA -0.137 4.417 4.550 0.008 0.000 0.294 392 Y C 1.937 177.773 175.900 -0.107 0.000 1.142 392 Y CA 0.991 59.059 58.100 -0.052 0.000 1.314 392 Y CB -0.367 38.341 38.460 0.413 0.000 0.991 392 Y HN 0.077 nan 8.280 nan 0.000 0.555 393 K N -0.133 120.252 120.400 -0.025 0.000 2.209 393 K HA -0.179 4.147 4.320 0.009 0.000 0.204 393 K C 1.254 177.822 176.600 -0.054 0.000 1.048 393 K CA 1.640 57.905 56.287 -0.036 0.000 0.940 393 K CB -0.318 32.167 32.500 -0.026 0.000 0.729 393 K HN 0.242 nan 8.250 nan 0.000 0.451 394 N N 0.712 119.331 118.700 -0.136 0.000 2.289 394 N HA -0.100 4.646 4.740 0.009 0.000 0.184 394 N C 1.488 176.921 175.510 -0.128 0.000 1.016 394 N CA 1.128 54.115 53.050 -0.106 0.000 0.872 394 N CB -0.263 38.038 38.487 -0.311 0.000 0.973 394 N HN 0.328 nan 8.380 nan 0.000 0.433 395 F N -0.359 119.559 119.950 -0.053 0.000 2.325 395 F HA -0.132 4.400 4.527 0.007 0.000 0.299 395 F C 2.353 178.214 175.800 0.100 0.000 1.090 395 F CA 0.229 58.138 58.000 -0.152 0.000 1.392 395 F CB -0.240 38.321 39.000 -0.731 0.000 1.053 395 F HN 0.020 nan 8.300 nan 0.000 0.521 396 Y N 0.091 120.496 120.300 0.175 0.000 2.163 396 Y HA -0.266 4.289 4.550 0.008 0.000 0.288 396 Y C 1.952 177.852 175.900 0.000 0.000 1.136 396 Y CA 1.212 59.364 58.100 0.088 0.000 1.147 396 Y CB -1.085 37.286 38.460 -0.147 0.000 0.987 396 Y HN 0.012 nan 8.280 nan 0.000 0.509 397 Y N 0.070 120.307 120.300 -0.105 0.000 2.352 397 Y HA -0.033 4.520 4.550 0.006 0.000 0.292 397 Y C 2.664 178.505 175.900 -0.099 0.000 1.136 397 Y CA 0.854 58.820 58.100 -0.223 0.000 1.227 397 Y CB -1.184 37.212 38.460 -0.107 0.000 0.991 397 Y HN 0.259 nan 8.280 nan 0.000 0.545 398 A N -0.242 122.655 122.820 0.128 0.000 1.929 398 A HA 0.042 4.367 4.320 0.009 0.000 0.216 398 A C 2.402 180.049 177.584 0.105 0.000 1.176 398 A CA 1.450 53.558 52.037 0.118 0.000 0.628 398 A CB -0.954 18.138 19.000 0.153 0.000 0.816 398 A HN 0.339 nan 8.150 nan 0.000 0.444 399 A N -0.942 121.956 122.820 0.130 0.000 2.016 399 A HA 0.329 4.655 4.320 0.009 0.000 0.217 399 A C 0.738 178.378 177.584 0.093 0.000 1.162 399 A CA 1.234 53.362 52.037 0.152 0.000 0.662 399 A CB -0.057 19.108 19.000 0.275 0.000 0.812 399 A HN 0.508 nan 8.150 nan 0.000 0.450 400 V N 0.508 120.415 119.914 -0.012 0.000 2.313 400 V HA 0.195 4.320 4.120 0.009 0.000 0.262 400 V C -2.127 173.934 176.094 -0.056 0.000 1.011 400 V CA -0.854 61.416 62.300 -0.050 0.000 0.858 400 V CB 1.061 32.797 31.823 -0.146 0.000 1.104 400 V HN 0.155 nan 8.190 nan 0.000 0.456 401 P HA -0.189 nan 4.420 nan 0.000 0.216 401 P C 1.949 179.267 177.300 0.030 0.000 1.153 401 P CA 1.954 65.070 63.100 0.027 0.000 0.858 401 P CB 0.183 31.903 31.700 0.033 0.000 0.789 402 S N -0.803 114.920 115.700 0.039 0.000 2.465 402 S HA -0.119 4.356 4.470 0.009 0.000 0.241 402 S C 1.982 176.627 174.600 0.075 0.000 1.000 402 S CA 1.111 59.343 58.200 0.055 0.000 0.964 402 S CB -1.270 61.970 63.200 0.067 0.000 0.763 402 S HN 0.137 nan 8.310 nan 0.000 0.512 403 A N 2.133 124.996 122.820 0.072 0.000 2.014 403 A HA 0.108 4.433 4.320 0.009 0.000 0.218 403 A C 2.325 180.014 177.584 0.174 0.000 1.163 403 A CA 0.709 52.830 52.037 0.140 0.000 0.652 403 A CB -0.463 18.551 19.000 0.025 0.000 0.808 403 A HN 0.556 nan 8.150 nan 0.000 0.449 404 R N 0.101 120.641 120.500 0.066 0.000 2.120 404 R HA -0.073 4.273 4.340 0.009 0.000 0.234 404 R C 0.194 176.473 176.300 -0.035 0.000 1.123 404 R CA 1.356 57.383 56.100 -0.120 0.000 0.975 404 R CB -0.341 29.852 30.300 -0.179 0.000 0.866 404 R HN 0.594 nan 8.270 nan 0.000 0.446 405 N N 0.587 119.300 118.700 0.022 0.000 2.994 405 N HA 0.125 4.870 4.740 0.009 0.000 0.306 405 N C -1.458 174.094 175.510 0.070 0.000 1.348 405 N CA -0.269 52.801 53.050 0.033 0.000 1.109 405 N CB 1.132 39.634 38.487 0.024 0.000 1.415 405 N HN -0.126 nan 8.380 nan 0.000 0.529 406 V N 1.773 121.752 119.914 0.110 0.000 2.462 406 V HA 0.294 4.419 4.120 0.009 0.000 0.288 406 V C -2.288 173.913 176.094 0.179 0.000 1.020 406 V CA -1.704 60.680 62.300 0.141 0.000 0.857 406 V CB 1.787 33.716 31.823 0.176 0.000 1.013 406 V HN 0.146 nan 8.190 nan 0.000 0.431 407 P HA 0.115 nan 4.420 nan 0.000 0.265 407 P C -0.348 177.026 177.300 0.124 0.000 1.193 407 P CA 0.257 63.388 63.100 0.052 0.000 0.765 407 P CB 0.144 31.843 31.700 -0.002 0.000 0.823 408 Y N 1.125 121.448 120.300 0.038 0.000 2.527 408 Y HA 0.535 5.089 4.550 0.007 0.000 0.247 408 Y C 0.845 176.758 175.900 0.021 0.000 1.138 408 Y CA -0.064 58.059 58.100 0.038 0.000 1.228 408 Y CB -0.282 38.211 38.460 0.054 0.000 1.252 408 Y HN 0.618 nan 8.280 nan 0.000 0.531 409 G N 1.940 110.582 108.800 -0.263 0.000 2.782 409 G HA2 -0.306 3.659 3.960 0.009 0.000 0.228 409 G HA3 -0.306 3.659 3.960 0.009 0.000 0.228 409 G C -0.925 173.866 174.900 -0.182 0.000 1.372 409 G CA -0.327 44.670 45.100 -0.172 0.000 0.862 409 G HN 0.626 nan 8.290 nan 0.000 0.547 410 N N 0.379 119.031 118.700 -0.081 0.000 2.475 410 N HA 0.300 5.045 4.740 0.009 0.000 0.267 410 N C 1.371 176.897 175.510 0.027 0.000 1.169 410 N CA 0.485 53.510 53.050 -0.041 0.000 0.947 410 N CB 0.335 38.801 38.487 -0.034 0.000 1.061 410 N HN 0.987 nan 8.380 nan 0.000 0.466 411 I N 0.330 120.935 120.570 0.058 0.000 3.947 411 I HA 0.174 4.350 4.170 0.009 0.000 0.327 411 I C 1.010 177.137 176.117 0.016 0.000 1.519 411 I CA -0.510 60.833 61.300 0.072 0.000 1.122 411 I CB 0.570 38.651 38.000 0.136 0.000 1.146 411 I HN 0.213 nan 8.210 nan 0.000 0.442 412 Q N 2.099 121.900 119.800 0.002 0.000 2.096 412 Q HA -0.167 4.179 4.340 0.009 0.000 0.204 412 Q C 2.487 178.473 176.000 -0.023 0.000 0.982 412 Q CA 2.341 58.134 55.803 -0.017 0.000 0.850 412 Q CB -0.389 28.339 28.738 -0.017 0.000 0.901 412 Q HN 0.797 nan 8.270 nan 0.000 0.422 413 S N 0.439 116.132 115.700 -0.012 0.000 2.382 413 S HA -0.109 4.366 4.470 0.009 0.000 0.228 413 S C 1.804 176.396 174.600 -0.014 0.000 1.027 413 S CA 0.656 58.850 58.200 -0.011 0.000 0.991 413 S CB -0.008 63.191 63.200 -0.001 0.000 0.823 413 S HN 0.186 nan 8.310 nan 0.000 0.469 414 R N 1.333 121.825 120.500 -0.013 0.000 2.093 414 R HA 0.294 4.639 4.340 0.009 0.000 0.224 414 R C 2.390 178.616 176.300 -0.123 0.000 1.101 414 R CA 0.804 56.893 56.100 -0.018 0.000 0.979 414 R CB -1.419 28.892 30.300 0.019 0.000 0.877 414 R HN 0.457 nan 8.270 nan 0.000 0.441 415 L N 0.722 121.862 121.223 -0.137 0.000 2.046 415 L HA -0.151 4.194 4.340 0.009 0.000 0.208 415 L C 2.432 179.217 176.870 -0.141 0.000 1.077 415 L CA 1.313 56.040 54.840 -0.189 0.000 0.747 415 L CB -0.361 41.622 42.059 -0.126 0.000 0.896 415 L HN 0.108 nan 8.230 nan 0.000 0.432 416 E N 0.570 120.721 120.200 -0.082 0.000 2.106 416 E HA -0.226 4.129 4.350 0.009 0.000 0.192 416 E C 1.966 178.538 176.600 -0.045 0.000 0.984 416 E CA 0.943 57.309 56.400 -0.055 0.000 0.806 416 E CB -0.183 29.495 29.700 -0.035 0.000 0.750 416 E HN 0.264 nan 8.360 nan 0.000 0.458 417 L N 0.920 122.121 121.223 -0.037 0.000 2.017 417 L HA -0.091 4.254 4.340 0.009 0.000 0.208 417 L C 2.453 179.332 176.870 0.015 0.000 1.073 417 L CA 2.136 56.978 54.840 0.003 0.000 0.745 417 L CB -0.588 41.497 42.059 0.043 0.000 0.894 417 L HN 0.096 nan 8.230 nan 0.000 0.432 418 R N -0.305 120.152 120.500 -0.071 0.000 2.091 418 R HA -0.233 4.112 4.340 0.009 0.000 0.238 418 R C 2.466 178.738 176.300 -0.046 0.000 1.136 418 R CA 1.967 58.000 56.100 -0.112 0.000 0.959 418 R CB -0.290 29.683 30.300 -0.546 0.000 0.856 418 R HN 0.463 nan 8.270 nan 0.000 0.437 419 K N 0.819 121.179 120.400 -0.067 0.000 2.025 419 K HA -0.194 4.131 4.320 0.009 0.000 0.207 419 K C 2.131 178.725 176.600 -0.011 0.000 1.049 419 K CA 1.695 57.959 56.287 -0.038 0.000 0.933 419 K CB -0.119 32.354 32.500 -0.045 0.000 0.714 419 K HN 0.069 nan 8.250 nan 0.000 0.438 420 K N 0.846 121.241 120.400 -0.008 0.000 2.103 420 K HA -0.126 4.199 4.320 0.009 0.000 0.207 420 K C 1.869 178.478 176.600 0.015 0.000 1.048 420 K CA 1.315 57.603 56.287 0.002 0.000 0.930 420 K CB -0.071 32.429 32.500 -0.000 0.000 0.716 420 K HN 0.216 nan 8.250 nan 0.000 0.444 421 L N 0.831 122.074 121.223 0.034 0.000 2.610 421 L HA 0.004 4.350 4.340 0.009 0.000 0.232 421 L C 0.903 177.802 176.870 0.047 0.000 1.149 421 L CA 0.201 55.072 54.840 0.051 0.000 0.872 421 L CB -0.049 42.063 42.059 0.088 0.000 0.992 421 L HN 0.238 nan 8.230 nan 0.000 0.447 422 S N -0.366 115.354 115.700 0.033 0.000 3.631 422 S HA -0.185 4.290 4.470 0.009 0.000 0.366 422 S C 0.466 175.080 174.600 0.024 0.000 0.993 422 S CA -0.128 58.083 58.200 0.018 0.000 1.167 422 S CB -1.606 61.598 63.200 0.007 0.000 0.909 422 S HN 0.482 nan 8.310 nan 0.000 0.478 423 c N 2.196 120.837 118.600 0.069 0.000 2.656 423 c HA 0.410 4.985 4.570 0.009 0.000 0.391 423 c C 1.172 175.293 174.090 0.051 0.000 1.300 423 c CA -0.658 55.736 56.329 0.107 0.000 2.302 423 c CB 0.391 43.094 42.510 0.321 0.000 2.655 423 c HN 0.676 nan 8.230 nan 0.000 0.656 424 K N 2.554 122.940 120.400 -0.023 0.000 2.126 424 K HA 0.332 4.658 4.320 0.009 0.000 0.257 424 K C -2.170 174.527 176.600 0.162 0.000 1.007 424 K CA -0.801 55.443 56.287 -0.071 0.000 0.928 424 K CB 0.196 32.384 32.500 -0.521 0.000 1.013 424 K HN 0.518 nan 8.250 nan 0.000 0.473 425 P HA -0.072 nan 4.420 nan 0.000 0.272 425 P C 0.083 177.643 177.300 0.433 0.000 1.240 425 P CA -0.002 63.282 63.100 0.307 0.000 0.791 425 P CB 0.456 32.318 31.700 0.270 0.000 0.978 426 F N 1.243 121.355 119.950 0.271 0.000 2.269 426 F HA -0.131 4.401 4.527 0.010 0.000 0.301 426 F C 2.516 178.420 175.800 0.173 0.000 1.082 426 F CA 1.422 59.545 58.000 0.205 0.000 1.360 426 F CB -0.029 39.050 39.000 0.132 0.000 1.041 426 F HN 0.282 nan 8.300 nan 0.000 0.512 427 K N -0.394 120.193 120.400 0.312 0.000 2.103 427 K HA -0.288 4.037 4.320 0.009 0.000 0.207 427 K C 2.072 178.713 176.600 0.068 0.000 1.048 427 K CA 1.950 58.337 56.287 0.167 0.000 0.930 427 K CB -0.657 32.064 32.500 0.369 0.000 0.716 427 K HN 0.508 nan 8.250 nan 0.000 0.444 428 W N 0.567 121.880 121.300 0.021 0.000 2.358 428 W HA -0.277 4.388 4.660 0.009 0.000 0.303 428 W C 1.931 178.395 176.519 -0.091 0.000 1.208 428 W CA 1.793 59.135 57.345 -0.004 0.000 1.274 428 W CB -0.530 28.967 29.460 0.061 0.000 1.138 428 W HN 0.209 nan 8.180 nan 0.000 0.515 429 Y N 0.754 120.991 120.300 -0.106 0.000 2.128 429 Y HA -0.278 4.277 4.550 0.009 0.000 0.284 429 Y C 2.208 177.707 175.900 -0.668 0.000 1.154 429 Y CA 2.644 60.471 58.100 -0.454 0.000 1.149 429 Y CB -0.743 37.456 38.460 -0.435 0.000 0.976 429 Y HN -0.036 nan 8.280 nan 0.000 0.505 430 L N -0.065 120.800 121.223 -0.597 0.000 2.046 430 L HA -0.199 4.147 4.340 0.009 0.000 0.208 430 L C 2.364 178.937 176.870 -0.495 0.000 1.077 430 L CA 1.834 56.343 54.840 -0.551 0.000 0.747 430 L CB -0.547 41.248 42.059 -0.440 0.000 0.896 430 L HN 0.275 nan 8.230 nan 0.000 0.432 431 E N -0.200 119.733 120.200 -0.445 0.000 2.107 431 E HA -0.129 4.227 4.350 0.009 0.000 0.191 431 E C 1.685 177.985 176.600 -0.499 0.000 0.982 431 E CA 0.900 57.072 56.400 -0.380 0.000 0.809 431 E CB 0.059 29.601 29.700 -0.264 0.000 0.756 431 E HN 0.509 nan 8.360 nan 0.000 0.459 432 N N -0.359 117.867 118.700 -0.790 0.000 2.414 432 N HA 0.000 4.746 4.740 0.009 0.000 0.177 432 N C 1.537 176.530 175.510 -0.862 0.000 1.062 432 N CA 0.511 53.058 53.050 -0.838 0.000 0.890 432 N CB 1.115 38.879 38.487 -1.206 0.000 1.070 432 N HN 0.001 nan 8.380 nan 0.000 0.454 433 V N -0.626 118.644 119.914 -1.072 0.000 2.908 433 V HA 0.097 4.223 4.120 0.009 0.000 0.240 433 V C -0.025 175.554 176.094 -0.858 0.000 1.117 433 V CA 0.516 62.106 62.300 -1.183 0.000 1.133 433 V CB 0.332 31.095 31.823 -1.765 0.000 0.857 433 V HN 0.143 nan 8.190 nan 0.000 0.478 434 Y N 2.839 122.554 120.300 -0.976 0.000 2.480 434 Y HA 0.428 4.983 4.550 0.008 0.000 0.356 434 Y C -2.075 173.525 175.900 -0.500 0.000 0.922 434 Y CA -3.377 54.317 58.100 -0.677 0.000 1.146 434 Y CB 0.810 38.858 38.460 -0.687 0.000 1.185 434 Y HN 0.233 nan 8.280 nan 0.000 0.624 435 P HA -0.094 nan 4.420 nan 0.000 0.230 435 P C 0.447 177.605 177.300 -0.236 0.000 1.158 435 P CA 1.082 64.027 63.100 -0.258 0.000 0.769 435 P CB 0.573 32.139 31.700 -0.223 0.000 0.807 436 E N -0.283 119.786 120.200 -0.218 0.000 2.216 436 E HA -0.019 4.337 4.350 0.009 0.000 0.192 436 E C 0.784 177.139 176.600 -0.410 0.000 0.988 436 E CA 0.136 56.405 56.400 -0.219 0.000 0.834 436 E CB -0.695 28.968 29.700 -0.062 0.000 0.772 436 E HN 0.160 nan 8.360 nan 0.000 0.479 437 L N 1.813 122.545 121.223 -0.817 0.000 2.433 437 L HA 0.105 4.450 4.340 0.009 0.000 0.275 437 L C 0.070 176.739 176.870 -0.333 0.000 1.128 437 L CA 0.156 54.491 54.840 -0.841 0.000 0.875 437 L CB 0.364 41.548 42.059 -1.458 0.000 1.171 437 L HN -0.122 nan 8.230 nan 0.000 0.463 438 R N 4.640 125.052 120.500 -0.145 0.000 2.308 438 R HA 0.490 4.836 4.340 0.009 0.000 0.305 438 R C -0.784 175.628 176.300 0.187 0.000 1.053 438 R CA -0.642 55.460 56.100 0.003 0.000 0.957 438 R CB 0.933 31.223 30.300 -0.018 0.000 1.022 438 R HN 0.636 nan 8.270 nan 0.000 0.461 439 V N 3.450 123.419 119.914 0.092 0.000 2.555 439 V HA 0.417 4.542 4.120 0.009 0.000 0.286 439 V C -1.961 173.919 176.094 -0.357 0.000 1.044 439 V CA -1.587 60.614 62.300 -0.166 0.000 1.026 439 V CB 0.606 32.370 31.823 -0.098 0.000 0.981 439 V HN 0.784 nan 8.190 nan 0.000 0.480 440 P HA 0.303 nan 4.420 nan 0.000 0.274 440 P C -0.576 176.541 177.300 -0.304 0.000 1.231 440 P CA -0.277 62.564 63.100 -0.431 0.000 0.790 440 P CB 0.794 32.221 31.700 -0.455 0.000 0.951 441 D N 0.504 120.828 120.400 -0.126 0.000 2.363 441 D HA 0.025 4.671 4.640 0.009 0.000 0.240 441 D C 0.734 177.040 176.300 0.011 0.000 1.236 441 D CA 0.341 54.317 54.000 -0.040 0.000 0.927 441 D CB 0.111 40.870 40.800 -0.069 0.000 1.150 441 D HN 0.528 nan 8.370 nan 0.000 0.458 442 H N -0.958 118.147 119.070 0.060 0.000 2.629 442 H HA 0.086 4.648 4.556 0.009 0.000 0.357 442 H C -0.021 175.342 175.328 0.059 0.000 1.121 442 H CA -0.501 55.597 56.048 0.084 0.000 1.406 442 H CB 0.528 30.328 29.762 0.065 0.000 1.456 442 H HN 0.255 nan 8.280 nan 0.000 0.579 443 Q N 2.739 122.577 119.800 0.064 0.000 2.314 443 Q HA 0.303 4.648 4.340 0.009 0.000 0.258 443 Q C -0.945 175.073 176.000 0.030 0.000 0.954 443 Q CA -0.192 55.609 55.803 -0.002 0.000 0.890 443 Q CB 1.399 30.168 28.738 0.052 0.000 1.210 443 Q HN 0.701 nan 8.270 nan 0.000 0.410 444 D N 0.797 121.167 120.400 -0.050 0.000 2.779 444 D HA 0.265 4.910 4.640 0.009 0.000 0.331 444 D C -1.258 175.012 176.300 -0.051 0.000 1.331 444 D CA -0.821 53.179 54.000 0.000 0.000 0.866 444 D CB 1.472 42.290 40.800 0.029 0.000 1.409 444 D HN 0.538 nan 8.370 nan 0.000 0.486 445 I N 1.377 121.901 120.570 -0.076 0.000 2.683 445 I HA 0.420 4.596 4.170 0.009 0.000 0.286 445 I C -0.376 175.576 176.117 -0.276 0.000 1.175 445 I CA 0.091 61.292 61.300 -0.165 0.000 1.429 445 I CB 0.028 37.900 38.000 -0.214 0.000 1.371 445 I HN 0.341 nan 8.210 nan 0.000 0.569 446 A N 7.153 129.864 122.820 -0.182 0.000 2.312 446 A HA 0.709 5.035 4.320 0.009 0.000 0.328 446 A C -0.850 176.674 177.584 -0.100 0.000 1.158 446 A CA -0.505 51.471 52.037 -0.102 0.000 0.821 446 A CB 0.244 19.291 19.000 0.079 0.000 1.170 446 A HN 0.644 nan 8.150 nan 0.000 0.490 447 F N 0.586 120.661 119.950 0.209 0.000 2.432 447 F HA 0.713 5.246 4.527 0.010 0.000 0.329 447 F C 1.055 176.936 175.800 0.135 0.000 1.076 447 F CA 0.685 58.838 58.000 0.255 0.000 1.018 447 F CB 2.370 41.449 39.000 0.132 0.000 1.201 447 F HN 0.884 nan 8.300 nan 0.000 0.489 448 G N -0.067 108.923 108.800 0.317 0.000 2.494 448 G HA2 0.622 4.588 3.960 0.009 0.000 0.308 448 G HA3 0.622 4.588 3.960 0.009 0.000 0.308 448 G C -2.217 172.709 174.900 0.044 0.000 1.263 448 G CA -0.364 44.646 45.100 -0.150 0.000 0.840 448 G HN 0.813 nan 8.290 nan 0.000 0.479 449 A N -0.741 122.009 122.820 -0.116 0.000 2.355 449 A HA 0.819 5.144 4.320 0.009 0.000 0.324 449 A C -0.839 176.825 177.584 0.133 0.000 1.117 449 A CA -0.551 51.562 52.037 0.127 0.000 0.785 449 A CB 1.297 20.342 19.000 0.075 0.000 1.254 449 A HN 0.724 nan 8.150 nan 0.000 0.453 450 L N 2.587 123.949 121.223 0.232 0.000 2.272 450 L HA 0.288 4.633 4.340 0.009 0.000 0.284 450 L C -0.035 176.991 176.870 0.259 0.000 1.045 450 L CA -0.087 54.897 54.840 0.240 0.000 0.842 450 L CB 0.951 43.032 42.059 0.036 0.000 1.224 450 L HN 0.789 nan 8.230 nan 0.000 0.430 451 Q N 3.325 123.240 119.800 0.191 0.000 2.214 451 Q HA 0.467 4.812 4.340 0.009 0.000 0.251 451 Q C -0.692 175.314 176.000 0.009 0.000 0.936 451 Q CA -0.578 55.285 55.803 0.100 0.000 0.894 451 Q CB 2.255 31.009 28.738 0.027 0.000 1.252 451 Q HN 0.421 nan 8.270 nan 0.000 0.448 452 Q N 0.710 120.436 119.800 -0.123 0.000 2.374 452 Q HA 0.403 4.748 4.340 0.009 0.000 0.250 452 Q C -0.164 175.710 176.000 -0.210 0.000 0.918 452 Q CA 0.279 55.890 55.803 -0.319 0.000 0.778 452 Q CB 0.968 29.274 28.738 -0.721 0.000 1.328 452 Q HN 0.888 nan 8.270 nan 0.000 0.445 453 G N 1.988 110.691 108.800 -0.162 0.000 2.561 453 G HA2 -0.408 3.558 3.960 0.009 0.000 0.289 453 G HA3 -0.408 3.558 3.960 0.009 0.000 0.289 453 G C 0.502 175.345 174.900 -0.094 0.000 1.169 453 G CA 0.577 45.604 45.100 -0.121 0.000 0.980 453 G HN 0.995 nan 8.290 nan 0.000 0.550 454 T N -0.975 113.524 114.554 -0.092 0.000 3.145 454 T HA 0.376 4.731 4.350 0.009 0.000 0.255 454 T C 0.644 175.291 174.700 -0.089 0.000 1.039 454 T CA 0.636 62.688 62.100 -0.081 0.000 0.928 454 T CB -0.033 68.787 68.868 -0.080 0.000 1.029 454 T HN 0.521 nan 8.240 nan 0.000 0.554 455 N N 0.361 119.007 118.700 -0.090 0.000 2.477 455 N HA 0.552 5.297 4.740 0.009 0.000 0.284 455 N C -1.110 174.393 175.510 -0.010 0.000 1.182 455 N CA -0.441 52.569 53.050 -0.067 0.000 0.949 455 N CB 1.665 40.111 38.487 -0.068 0.000 1.204 455 N HN 0.202 nan 8.380 nan 0.000 0.526 456 c N 1.028 119.651 118.600 0.039 0.000 2.626 456 c HA 0.337 4.912 4.570 0.009 0.000 0.310 456 c C -0.067 174.123 174.090 0.166 0.000 1.191 456 c CA -0.887 55.501 56.329 0.099 0.000 1.517 456 c CB 1.265 43.792 42.510 0.028 0.000 2.102 456 c HN 0.660 nan 8.230 nan 0.000 0.479 457 L N 3.993 125.325 121.223 0.181 0.000 2.584 457 L HA 0.231 4.576 4.340 0.009 0.000 0.272 457 L C -0.044 176.950 176.870 0.206 0.000 1.195 457 L CA 1.556 56.406 54.840 0.018 0.000 0.920 457 L CB -0.089 41.662 42.059 -0.512 0.000 1.173 457 L HN 0.642 nan 8.230 nan 0.000 0.489 458 D N 2.439 122.941 120.400 0.169 0.000 2.646 458 D HA 0.173 4.818 4.640 0.009 0.000 0.245 458 D C 0.769 177.144 176.300 0.124 0.000 1.099 458 D CA 0.255 54.359 54.000 0.173 0.000 0.849 458 D CB 2.114 42.964 40.800 0.083 0.000 1.448 458 D HN 0.742 nan 8.370 nan 0.000 0.489 459 T N 0.914 115.490 114.554 0.037 0.000 3.007 459 T HA -0.020 4.336 4.350 0.009 0.000 0.270 459 T C 1.711 176.263 174.700 -0.246 0.000 1.107 459 T CA 0.462 62.513 62.100 -0.082 0.000 1.118 459 T CB -0.188 68.456 68.868 -0.372 0.000 0.889 459 T HN 0.633 nan 8.240 nan 0.000 0.506 460 L N -0.390 120.660 121.223 -0.289 0.000 4.884 460 L HA -0.224 4.121 4.340 0.009 0.000 0.430 460 L C 1.442 177.981 176.870 -0.551 0.000 1.087 460 L CA 0.454 55.016 54.840 -0.464 0.000 1.033 460 L CB -2.363 39.289 42.059 -0.678 0.000 2.030 460 L HN 0.691 nan 8.230 nan 0.000 0.762 461 G N -1.101 107.439 108.800 -0.433 0.000 2.143 461 G HA2 -0.271 3.695 3.960 0.009 0.000 0.249 461 G HA3 -0.271 3.695 3.960 0.009 0.000 0.249 461 G C 0.138 174.702 174.900 -0.560 0.000 0.981 461 G CA 0.597 45.446 45.100 -0.419 0.000 0.665 461 G HN 0.677 nan 8.290 nan 0.000 0.528 462 H N -1.459 117.315 119.070 -0.493 0.000 2.508 462 H HA 0.676 5.238 4.556 0.009 0.000 0.358 462 H C 0.393 175.318 175.328 -0.672 0.000 1.212 462 H CA -0.382 55.374 56.048 -0.487 0.000 1.356 462 H CB 0.776 30.427 29.762 -0.185 0.000 1.525 462 H HN 0.131 nan 8.280 nan 0.000 0.578 463 F N -0.719 119.321 119.950 0.151 0.000 2.979 463 F HA 0.484 5.016 4.527 0.009 0.000 0.370 463 F C 0.281 176.122 175.800 0.069 0.000 1.320 463 F CA -1.025 57.029 58.000 0.090 0.000 1.095 463 F CB -0.147 38.887 39.000 0.058 0.000 1.553 463 F HN 0.525 nan 8.300 nan 0.000 0.493 464 A N 0.549 123.542 122.820 0.289 0.000 2.587 464 A HA 0.214 4.539 4.320 0.009 0.000 0.235 464 A C 0.347 177.993 177.584 0.104 0.000 1.044 464 A CA 0.834 52.965 52.037 0.157 0.000 0.754 464 A CB -0.751 18.317 19.000 0.113 0.000 0.968 464 A HN 0.826 nan 8.150 nan 0.000 0.509 465 D N -0.170 120.273 120.400 0.072 0.000 2.946 465 D HA -0.157 4.489 4.640 0.009 0.000 0.202 465 D C 0.573 176.869 176.300 -0.006 0.000 1.068 465 D CA 1.838 55.858 54.000 0.033 0.000 1.011 465 D CB -1.605 39.209 40.800 0.023 0.000 1.105 465 D HN 1.081 nan 8.370 nan 0.000 0.425 466 G N 0.235 109.030 108.800 -0.008 0.000 2.437 466 G HA2 0.582 4.547 3.960 0.009 0.000 0.319 466 G HA3 0.582 4.547 3.960 0.009 0.000 0.319 466 G C 0.594 175.512 174.900 0.030 0.000 1.158 466 G CA -0.076 44.950 45.100 -0.123 0.000 0.899 466 G HN 0.267 nan 8.290 nan 0.000 0.502 467 V N -0.887 119.073 119.914 0.076 0.000 3.295 467 V HA 0.807 4.933 4.120 0.009 0.000 0.308 467 V C 0.643 176.882 176.094 0.241 0.000 1.068 467 V CA -0.400 61.990 62.300 0.150 0.000 1.062 467 V CB 0.988 32.881 31.823 0.116 0.000 1.162 467 V HN 1.080 nan 8.190 nan 0.000 0.456 468 V N -1.393 118.587 119.914 0.110 0.000 3.126 468 V HA 1.116 5.241 4.120 0.009 0.000 0.314 468 V C 0.193 176.299 176.094 0.020 0.000 1.138 468 V CA 0.296 62.627 62.300 0.053 0.000 1.034 468 V CB 1.094 32.922 31.823 0.010 0.000 1.075 468 V HN 1.577 nan 8.190 nan 0.000 0.442 469 G N -0.123 108.683 108.800 0.009 0.000 2.871 469 G HA2 0.774 4.739 3.960 0.009 0.000 0.282 469 G HA3 0.774 4.739 3.960 0.009 0.000 0.282 469 G C -0.879 174.073 174.900 0.086 0.000 1.212 469 G CA 0.007 45.135 45.100 0.046 0.000 0.812 469 G HN 1.940 nan 8.290 nan 0.000 0.547 470 V N -2.771 117.219 119.914 0.127 0.000 3.040 470 V HA 0.927 5.052 4.120 0.009 0.000 0.312 470 V C -1.148 175.068 176.094 0.203 0.000 1.115 470 V CA -1.081 61.315 62.300 0.161 0.000 0.998 470 V CB 1.560 33.475 31.823 0.153 0.000 1.042 470 V HN 1.163 nan 8.190 nan 0.000 0.433 471 Y N -0.202 120.100 120.300 0.002 0.000 2.641 471 Y HA 0.553 5.109 4.550 0.009 0.000 0.333 471 Y C -0.280 175.596 175.900 -0.041 0.000 1.174 471 Y CA -0.747 57.341 58.100 -0.020 0.000 1.057 471 Y CB 1.799 40.245 38.460 -0.023 0.000 1.322 471 Y HN 1.012 nan 8.280 nan 0.000 0.457 472 E N 2.208 122.072 120.200 -0.559 0.000 2.608 472 E HA 0.066 4.421 4.350 0.009 0.000 0.259 472 E C -0.908 175.599 176.600 -0.155 0.000 0.951 472 E CA 0.346 56.542 56.400 -0.340 0.000 0.945 472 E CB 0.082 29.523 29.700 -0.431 0.000 0.916 472 E HN 0.596 nan 8.360 nan 0.000 0.477 473 c N 5.822 124.350 118.600 -0.120 0.000 2.653 473 c HA 0.115 4.690 4.570 0.009 0.000 0.421 473 c C 1.373 175.423 174.090 -0.066 0.000 1.334 473 c CA 0.173 56.419 56.329 -0.138 0.000 1.885 473 c CB -0.623 41.843 42.510 -0.073 0.000 2.645 473 c HN 0.953 nan 8.230 nan 0.000 0.601 474 H N 0.664 119.770 119.070 0.059 0.000 3.046 474 H HA 0.159 4.721 4.556 0.009 0.000 0.262 474 H C 0.747 176.094 175.328 0.032 0.000 1.044 474 H CA 0.299 56.374 56.048 0.046 0.000 1.209 474 H CB -0.171 29.632 29.762 0.068 0.000 1.507 474 H HN 0.682 nan 8.280 nan 0.000 0.507 475 N N 1.147 120.009 118.700 0.271 0.000 2.727 475 N HA -0.206 4.540 4.740 0.009 0.000 0.249 475 N C 0.126 175.757 175.510 0.201 0.000 1.048 475 N CA 0.718 53.880 53.050 0.187 0.000 0.714 475 N CB -1.168 37.372 38.487 0.088 0.000 0.959 475 N HN 0.697 nan 8.380 nan 0.000 0.544 476 A N -0.883 122.142 122.820 0.342 0.000 2.571 476 A HA 0.664 4.990 4.320 0.009 0.000 0.274 476 A C 1.702 179.324 177.584 0.064 0.000 1.196 476 A CA 0.936 53.007 52.037 0.058 0.000 0.957 476 A CB -0.060 18.812 19.000 -0.212 0.000 1.150 476 A HN 1.351 nan 8.150 nan 0.000 0.539 477 G N 0.230 109.147 108.800 0.196 0.000 2.543 477 G HA2 0.094 4.059 3.960 0.009 0.000 0.286 477 G HA3 0.094 4.059 3.960 0.009 0.000 0.286 477 G C 1.636 176.650 174.900 0.191 0.000 1.153 477 G CA 1.107 46.295 45.100 0.147 0.000 0.968 477 G HN 2.298 nan 8.290 nan 0.000 0.544 478 G N 0.049 108.896 108.800 0.078 0.000 2.651 478 G HA2 -0.328 3.638 3.960 0.009 0.000 0.315 478 G HA3 -0.328 3.638 3.960 0.009 0.000 0.315 478 G C 0.898 175.859 174.900 0.101 0.000 1.258 478 G CA 1.202 46.346 45.100 0.074 0.000 1.002 478 G HN 1.758 nan 8.290 nan 0.000 0.551 479 N N 1.472 120.189 118.700 0.029 0.000 2.609 479 N HA -0.004 4.742 4.740 0.009 0.000 0.190 479 N C 1.859 177.282 175.510 -0.145 0.000 1.157 479 N CA 1.263 54.197 53.050 -0.192 0.000 0.918 479 N CB 0.153 38.548 38.487 -0.154 0.000 0.978 479 N HN 0.720 nan 8.380 nan 0.000 0.448 480 Q N -0.262 119.571 119.800 0.055 0.000 2.179 480 Q HA 0.151 4.497 4.340 0.009 0.000 0.213 480 Q C -0.380 175.759 176.000 0.232 0.000 0.833 480 Q CA -0.093 55.819 55.803 0.182 0.000 0.990 480 Q CB 0.944 29.712 28.738 0.050 0.000 1.132 480 Q HN 0.306 nan 8.270 nan 0.000 0.493 481 E N 0.370 120.591 120.200 0.034 0.000 2.134 481 E HA 0.268 4.624 4.350 0.009 0.000 0.278 481 E C -1.451 175.126 176.600 -0.039 0.000 0.959 481 E CA -0.385 56.081 56.400 0.111 0.000 0.783 481 E CB 0.718 30.458 29.700 0.066 0.000 1.095 481 E HN 0.025 nan 8.360 nan 0.000 0.399 482 W N 2.188 123.700 121.300 0.352 0.000 2.992 482 W HA 0.701 5.366 4.660 0.009 0.000 0.342 482 W C -0.816 175.973 176.519 0.451 0.000 1.176 482 W CA -0.711 56.849 57.345 0.358 0.000 1.118 482 W CB 1.657 31.256 29.460 0.232 0.000 1.457 482 W HN 0.515 nan 8.180 nan 0.000 0.573 483 A N 1.444 124.569 122.820 0.507 0.000 2.422 483 A HA 0.816 5.141 4.320 0.009 0.000 0.302 483 A C -1.729 175.832 177.584 -0.039 0.000 1.041 483 A CA -0.800 51.350 52.037 0.189 0.000 0.708 483 A CB 0.987 20.037 19.000 0.083 0.000 1.257 483 A HN 0.654 nan 8.150 nan 0.000 0.414 484 L N 3.394 124.421 121.223 -0.326 0.000 2.272 484 L HA 0.335 4.680 4.340 0.009 0.000 0.284 484 L C 1.003 177.770 176.870 -0.171 0.000 1.045 484 L CA -0.485 54.175 54.840 -0.300 0.000 0.842 484 L CB 0.873 42.626 42.059 -0.510 0.000 1.224 484 L HN 0.948 nan 8.230 nan 0.000 0.430 485 T N -1.256 113.256 114.554 -0.071 0.000 2.788 485 T HA 0.160 4.516 4.350 0.009 0.000 0.287 485 T C 1.012 175.693 174.700 -0.030 0.000 1.007 485 T CA -0.547 61.528 62.100 -0.041 0.000 1.005 485 T CB 1.324 70.197 68.868 0.008 0.000 1.012 485 T HN 0.484 nan 8.240 nan 0.000 0.530 486 K N 0.221 120.608 120.400 -0.021 0.000 2.288 486 K HA -0.045 4.281 4.320 0.009 0.000 0.201 486 K C 1.997 178.598 176.600 0.001 0.000 1.048 486 K CA 1.202 57.481 56.287 -0.012 0.000 0.956 486 K CB -0.006 32.489 32.500 -0.009 0.000 0.746 486 K HN 0.863 nan 8.250 nan 0.000 0.461 487 E N 1.091 121.299 120.200 0.012 0.000 2.476 487 E HA -0.025 4.331 4.350 0.009 0.000 0.191 487 E C -0.433 176.186 176.600 0.033 0.000 1.064 487 E CA 0.065 56.477 56.400 0.021 0.000 0.866 487 E CB -0.060 29.657 29.700 0.029 0.000 0.952 487 E HN 0.009 nan 8.360 nan 0.000 0.492 488 K N 0.633 121.053 120.400 0.033 0.000 3.251 488 K HA -0.155 4.170 4.320 0.009 0.000 0.282 488 K C -0.460 176.217 176.600 0.128 0.000 1.201 488 K CA 0.648 56.970 56.287 0.058 0.000 0.827 488 K CB -2.125 30.401 32.500 0.043 0.000 1.286 488 K HN 0.477 nan 8.250 nan 0.000 0.503 489 S N -1.170 114.602 115.700 0.120 0.000 2.690 489 S HA 0.666 5.141 4.470 0.009 0.000 0.291 489 S C 0.201 174.881 174.600 0.133 0.000 1.138 489 S CA -0.937 57.378 58.200 0.190 0.000 1.013 489 S CB 2.411 65.705 63.200 0.157 0.000 1.053 489 S HN 0.031 nan 8.310 nan 0.000 0.539 490 V N 1.986 121.975 119.914 0.126 0.000 2.293 490 V HA 0.468 4.594 4.120 0.009 0.000 0.275 490 V C 0.063 176.314 176.094 0.262 0.000 1.021 490 V CA -0.531 61.776 62.300 0.011 0.000 0.815 490 V CB 0.502 32.089 31.823 -0.393 0.000 1.025 490 V HN 0.926 nan 8.190 nan 0.000 0.448 491 K N 3.115 123.717 120.400 0.337 0.000 2.164 491 K HA 0.588 4.914 4.320 0.009 0.000 0.258 491 K C -1.088 175.712 176.600 0.334 0.000 0.951 491 K CA -0.762 55.734 56.287 0.347 0.000 0.844 491 K CB 1.327 33.947 32.500 0.201 0.000 1.099 491 K HN 0.781 nan 8.250 nan 0.000 0.435 492 H N 5.213 124.266 119.070 -0.028 0.000 2.970 492 H HA 0.275 4.836 4.556 0.009 0.000 0.315 492 H C 0.257 175.483 175.328 -0.170 0.000 0.992 492 H CA -0.010 55.792 56.048 -0.409 0.000 1.363 492 H CB 0.255 29.348 29.762 -1.116 0.000 1.532 492 H HN 0.852 nan 8.280 nan 0.000 0.514 493 M N 1.857 121.177 119.600 -0.468 0.000 7.319 493 M HA -0.336 4.150 4.480 0.009 0.000 0.293 493 M C -0.077 176.169 176.300 -0.090 0.000 0.480 493 M CA 2.065 57.178 55.300 -0.311 0.000 1.311 493 M CB -1.086 31.274 32.600 -0.401 0.000 0.421 493 M HN 0.611 nan 8.290 nan 0.000 0.551 494 D N 1.484 121.861 120.400 -0.040 0.000 2.424 494 D HA 0.490 5.136 4.640 0.009 0.000 0.220 494 D C -0.495 175.846 176.300 0.069 0.000 1.150 494 D CA 0.309 54.323 54.000 0.023 0.000 0.831 494 D CB 0.132 40.941 40.800 0.015 0.000 0.981 494 D HN 0.162 nan 8.370 nan 0.000 0.500 495 L N 0.224 121.505 121.223 0.097 0.000 2.334 495 L HA 0.510 4.856 4.340 0.009 0.000 0.273 495 L C -0.365 176.626 176.870 0.201 0.000 1.013 495 L CA -0.597 54.335 54.840 0.154 0.000 0.816 495 L CB 2.492 44.668 42.059 0.196 0.000 1.278 495 L HN -0.118 nan 8.230 nan 0.000 0.431 496 c N 2.222 120.949 118.600 0.210 0.000 2.712 496 c HA 0.468 5.043 4.570 0.009 0.000 0.308 496 c C 0.117 174.352 174.090 0.242 0.000 1.201 496 c CA -0.951 55.525 56.329 0.246 0.000 1.554 496 c CB 2.004 44.634 42.510 0.200 0.000 2.117 496 c HN 0.590 nan 8.230 nan 0.000 0.480 497 L N 2.869 124.225 121.223 0.222 0.000 2.477 497 L HA 0.264 4.609 4.340 0.009 0.000 0.272 497 L C 0.258 177.330 176.870 0.336 0.000 1.157 497 L CA 0.962 55.895 54.840 0.154 0.000 0.889 497 L CB 0.080 42.017 42.059 -0.203 0.000 1.158 497 L HN 0.734 nan 8.230 nan 0.000 0.473 498 T N 2.582 117.274 114.554 0.229 0.000 2.812 498 T HA 0.300 4.655 4.350 0.009 0.000 0.282 498 T C 0.056 174.806 174.700 0.082 0.000 0.990 498 T CA -0.483 61.713 62.100 0.159 0.000 0.960 498 T CB 2.029 70.959 68.868 0.102 0.000 0.948 498 T HN 0.190 nan 8.240 nan 0.000 0.438 499 V N 4.831 124.701 119.914 -0.073 0.000 2.276 499 V HA 0.047 4.173 4.120 0.009 0.000 0.249 499 V C 1.752 177.779 176.094 -0.111 0.000 1.160 499 V CA -0.146 62.039 62.300 -0.191 0.000 1.042 499 V CB -0.221 31.208 31.823 -0.656 0.000 1.224 499 V HN 0.916 nan 8.190 nan 0.000 0.496 500 V N -0.145 119.747 119.914 -0.037 0.000 2.970 500 V HA 0.106 4.232 4.120 0.009 0.000 0.260 500 V C 0.601 176.683 176.094 -0.021 0.000 1.100 500 V CA 1.226 63.515 62.300 -0.017 0.000 1.122 500 V CB -0.139 31.687 31.823 0.005 0.000 0.721 500 V HN 0.723 nan 8.190 nan 0.000 0.483 501 D N -0.658 119.723 120.400 -0.031 0.000 2.890 501 D HA 0.345 4.990 4.640 0.009 0.000 0.233 501 D C 0.696 176.977 176.300 -0.032 0.000 1.306 501 D CA -0.516 53.472 54.000 -0.021 0.000 0.929 501 D CB 1.837 42.633 40.800 -0.006 0.000 1.512 501 D HN 0.000 nan 8.370 nan 0.000 0.568 502 R N 1.481 121.967 120.500 -0.024 0.000 2.307 502 R HA 0.217 4.562 4.340 0.009 0.000 0.199 502 R C 0.688 176.989 176.300 0.001 0.000 1.000 502 R CA 0.083 56.173 56.100 -0.016 0.000 1.023 502 R CB 0.227 30.532 30.300 0.009 0.000 0.908 502 R HN 0.384 nan 8.270 nan 0.000 0.473 503 A N 3.131 125.953 122.820 0.003 0.000 2.545 503 A HA 0.142 4.467 4.320 0.009 0.000 0.253 503 A C -2.129 175.465 177.584 0.015 0.000 1.074 503 A CA -1.020 51.022 52.037 0.009 0.000 0.760 503 A CB -0.159 18.846 19.000 0.008 0.000 1.005 503 A HN -0.034 nan 8.150 nan 0.000 0.506 504 P HA 0.167 nan 4.420 nan 0.000 0.261 504 P C 1.149 178.466 177.300 0.029 0.000 1.173 504 P CA 2.060 65.177 63.100 0.028 0.000 0.760 504 P CB 0.527 32.243 31.700 0.027 0.000 0.783 505 G N 1.698 110.520 108.800 0.037 0.000 2.213 505 G HA2 -0.231 3.735 3.960 0.009 0.000 0.236 505 G HA3 -0.231 3.735 3.960 0.009 0.000 0.236 505 G C 0.379 175.300 174.900 0.034 0.000 0.991 505 G CA -0.115 45.007 45.100 0.036 0.000 0.629 505 G HN 0.569 nan 8.290 nan 0.000 0.517 506 S N 1.096 116.813 115.700 0.029 0.000 2.549 506 S HA 0.505 4.980 4.470 0.009 0.000 0.283 506 S C 0.842 175.462 174.600 0.033 0.000 1.320 506 S CA -0.238 57.977 58.200 0.025 0.000 1.058 506 S CB 0.820 64.028 63.200 0.013 0.000 0.882 506 S HN 0.452 nan 8.310 nan 0.000 0.498 507 L N 4.084 125.325 121.223 0.031 0.000 2.426 507 L HA 0.379 4.724 4.340 0.009 0.000 0.271 507 L C 0.593 177.485 176.870 0.037 0.000 1.169 507 L CA -0.412 54.450 54.840 0.036 0.000 0.836 507 L CB 0.081 42.160 42.059 0.034 0.000 1.112 507 L HN 0.623 nan 8.230 nan 0.000 0.465 508 I N -0.102 120.495 120.570 0.045 0.000 2.934 508 I HA 0.517 4.693 4.170 0.009 0.000 0.315 508 I C -0.305 175.843 176.117 0.052 0.000 0.997 508 I CA -0.797 60.538 61.300 0.058 0.000 1.184 508 I CB 1.065 39.122 38.000 0.094 0.000 1.400 508 I HN 0.455 nan 8.210 nan 0.000 0.549 509 K N 3.192 123.631 120.400 0.065 0.000 2.482 509 K HA 0.570 4.895 4.320 0.009 0.000 0.257 509 K C -1.261 175.398 176.600 0.098 0.000 0.969 509 K CA -0.758 55.571 56.287 0.069 0.000 0.842 509 K CB 2.438 34.969 32.500 0.052 0.000 1.359 509 K HN 0.614 nan 8.250 nan 0.000 0.441 510 L N 1.886 123.177 121.223 0.113 0.000 2.326 510 L HA 0.351 4.696 4.340 0.009 0.000 0.278 510 L C 0.137 177.084 176.870 0.128 0.000 1.092 510 L CA -0.059 54.870 54.840 0.149 0.000 0.810 510 L CB 0.813 42.976 42.059 0.173 0.000 1.153 510 L HN 0.393 nan 8.230 nan 0.000 0.439 511 Q N 0.851 120.731 119.800 0.133 0.000 2.482 511 Q HA 0.335 4.681 4.340 0.009 0.000 0.286 511 Q C -0.417 175.649 176.000 0.111 0.000 1.007 511 Q CA -0.876 54.991 55.803 0.108 0.000 0.801 511 Q CB 2.233 31.022 28.738 0.085 0.000 1.455 511 Q HN 0.763 nan 8.270 nan 0.000 0.398 512 G N 0.499 109.352 108.800 0.089 0.000 2.321 512 G HA2 0.071 4.037 3.960 0.009 0.000 0.237 512 G HA3 0.071 4.037 3.960 0.009 0.000 0.237 512 G C 0.071 175.021 174.900 0.082 0.000 1.282 512 G CA -0.163 44.985 45.100 0.080 0.000 0.886 512 G HN 0.590 nan 8.290 nan 0.000 0.528 513 c N 2.169 120.820 118.600 0.085 0.000 2.629 513 c HA 0.452 5.028 4.570 0.009 0.000 0.410 513 c C 0.795 174.924 174.090 0.065 0.000 1.339 513 c CA -0.418 55.964 56.329 0.087 0.000 1.810 513 c CB -0.775 41.789 42.510 0.091 0.000 2.549 513 c HN 0.736 nan 8.230 nan 0.000 0.589 514 R N 1.653 122.191 120.500 0.063 0.000 2.532 514 R HA 0.258 4.604 4.340 0.009 0.000 0.297 514 R C 0.810 177.137 176.300 0.044 0.000 0.984 514 R CA -0.509 55.619 56.100 0.047 0.000 0.884 514 R CB 1.103 31.427 30.300 0.040 0.000 1.182 514 R HN 0.825 nan 8.270 nan 0.000 0.442 515 E N 2.546 122.768 120.200 0.036 0.000 2.097 515 E HA -0.243 4.112 4.350 0.009 0.000 0.196 515 E C 0.323 176.938 176.600 0.024 0.000 1.000 515 E CA 1.637 58.055 56.400 0.030 0.000 0.804 515 E CB 0.180 29.893 29.700 0.022 0.000 0.740 515 E HN 0.624 nan 8.360 nan 0.000 0.454 516 N N 0.983 119.695 118.700 0.020 0.000 2.455 516 N HA -0.016 4.729 4.740 0.009 0.000 0.258 516 N C -1.060 174.460 175.510 0.016 0.000 1.158 516 N CA 0.025 53.083 53.050 0.014 0.000 0.893 516 N CB 0.415 38.907 38.487 0.009 0.000 1.173 516 N HN -0.025 nan 8.380 nan 0.000 0.503 517 D N 0.609 121.023 120.400 0.024 0.000 2.472 517 D HA 0.115 4.761 4.640 0.009 0.000 0.234 517 D C 0.908 177.223 176.300 0.026 0.000 1.088 517 D CA -0.449 53.567 54.000 0.027 0.000 0.882 517 D CB 1.251 42.075 40.800 0.040 0.000 1.037 517 D HN 0.203 nan 8.370 nan 0.000 0.520 518 S N 3.485 119.193 115.700 0.013 0.000 2.440 518 S HA -0.174 4.301 4.470 0.009 0.000 0.238 518 S C 1.541 176.173 174.600 0.055 0.000 1.010 518 S CA 0.557 58.759 58.200 0.002 0.000 0.972 518 S CB -0.112 63.076 63.200 -0.020 0.000 0.774 518 S HN 0.485 nan 8.310 nan 0.000 0.501 519 R N 0.964 121.496 120.500 0.052 0.000 2.280 519 R HA 0.116 4.462 4.340 0.009 0.000 0.207 519 R C 1.586 177.866 176.300 -0.033 0.000 1.043 519 R CA 0.938 57.049 56.100 0.020 0.000 1.006 519 R CB -0.201 30.087 30.300 -0.020 0.000 0.885 519 R HN 0.625 nan 8.270 nan 0.000 0.467 520 Q N 0.332 120.157 119.800 0.042 0.000 2.198 520 Q HA 0.116 4.462 4.340 0.009 0.000 0.209 520 Q C -0.491 175.585 176.000 0.127 0.000 0.848 520 Q CA 0.005 55.884 55.803 0.128 0.000 0.974 520 Q CB 0.800 29.631 28.738 0.156 0.000 1.115 520 Q HN -0.055 nan 8.270 nan 0.000 0.494 521 K N 0.614 120.992 120.400 -0.037 0.000 2.227 521 K HA 0.276 4.601 4.320 0.009 0.000 0.280 521 K C -0.987 175.478 176.600 -0.225 0.000 1.041 521 K CA 0.128 56.385 56.287 -0.049 0.000 0.905 521 K CB 0.696 33.145 32.500 -0.085 0.000 1.068 521 K HN 0.013 nan 8.250 nan 0.000 0.470 522 W N 1.004 122.327 121.300 0.038 0.000 2.962 522 W HA 0.348 5.013 4.660 0.008 0.000 0.341 522 W C -0.093 176.409 176.519 -0.028 0.000 1.155 522 W CA -0.704 56.649 57.345 0.013 0.000 1.165 522 W CB 1.366 30.805 29.460 -0.034 0.000 1.435 522 W HN 0.493 nan 8.180 nan 0.000 0.546 523 E N 0.465 120.797 120.200 0.221 0.000 2.331 523 E HA 0.398 4.753 4.350 0.009 0.000 0.275 523 E C -1.218 175.444 176.600 0.103 0.000 0.895 523 E CA -1.117 55.347 56.400 0.107 0.000 0.753 523 E CB 1.900 31.630 29.700 0.049 0.000 1.216 523 E HN 0.448 nan 8.360 nan 0.000 0.434 524 Q N 2.220 122.057 119.800 0.060 0.000 2.293 524 Q HA 0.477 4.822 4.340 0.009 0.000 0.251 524 Q C 0.117 176.154 176.000 0.063 0.000 0.930 524 Q CA -0.231 55.610 55.803 0.062 0.000 0.893 524 Q CB 1.298 30.060 28.738 0.041 0.000 1.215 524 Q HN 0.592 nan 8.270 nan 0.000 0.425 525 I N -2.616 117.998 120.570 0.074 0.000 3.264 525 I HA 0.427 4.602 4.170 0.009 0.000 0.315 525 I C -0.890 175.263 176.117 0.060 0.000 1.154 525 I CA -1.184 60.153 61.300 0.061 0.000 0.962 525 I CB 2.038 40.075 38.000 0.062 0.000 1.265 525 I HN 0.638 nan 8.210 nan 0.000 0.463 526 E N 2.042 122.269 120.200 0.046 0.000 2.291 526 E HA -0.165 4.191 4.350 0.009 0.000 0.181 526 E C 0.679 177.303 176.600 0.041 0.000 1.480 526 E CA 0.755 57.179 56.400 0.040 0.000 0.674 526 E CB -1.543 28.181 29.700 0.041 0.000 1.108 526 E HN 1.382 nan 8.360 nan 0.000 0.357 527 G N 1.848 110.672 108.800 0.038 0.000 2.273 527 G HA2 -0.406 3.559 3.960 0.009 0.000 0.280 527 G HA3 -0.406 3.559 3.960 0.009 0.000 0.280 527 G C 0.166 175.096 174.900 0.051 0.000 1.047 527 G CA 0.503 45.626 45.100 0.039 0.000 0.869 527 G HN 0.751 nan 8.290 nan 0.000 0.502 528 N N -1.762 116.974 118.700 0.059 0.000 2.727 528 N HA -0.258 4.488 4.740 0.009 0.000 0.249 528 N C 1.235 176.800 175.510 0.091 0.000 1.048 528 N CA 0.863 53.958 53.050 0.076 0.000 0.714 528 N CB -0.938 37.598 38.487 0.081 0.000 0.959 528 N HN 1.170 nan 8.380 nan 0.000 0.544 529 S N -1.975 113.775 115.700 0.084 0.000 2.559 529 S HA 0.221 4.696 4.470 0.009 0.000 0.226 529 S C 0.305 174.975 174.600 0.116 0.000 1.000 529 S CA -0.134 58.115 58.200 0.082 0.000 0.948 529 S CB 0.888 64.114 63.200 0.045 0.000 0.870 529 S HN 0.265 nan 8.310 nan 0.000 0.497 530 K N 0.254 120.742 120.400 0.147 0.000 2.495 530 K HA 0.605 4.930 4.320 0.009 0.000 0.268 530 K C -1.809 174.912 176.600 0.201 0.000 1.008 530 K CA -0.771 55.647 56.287 0.218 0.000 0.882 530 K CB 1.850 34.449 32.500 0.165 0.000 1.443 530 K HN 0.026 nan 8.250 nan 0.000 0.447 531 L N 1.919 123.278 121.223 0.227 0.000 2.342 531 L HA 0.474 4.819 4.340 0.009 0.000 0.276 531 L C -0.579 176.477 176.870 0.310 0.000 0.997 531 L CA -0.594 54.337 54.840 0.151 0.000 0.838 531 L CB 1.669 43.638 42.059 -0.150 0.000 1.224 531 L HN 0.460 nan 8.230 nan 0.000 0.416 532 R N 1.383 122.067 120.500 0.307 0.000 2.460 532 R HA 0.326 4.672 4.340 0.009 0.000 0.303 532 R C -0.639 175.801 176.300 0.232 0.000 0.968 532 R CA -0.825 55.435 56.100 0.266 0.000 0.889 532 R CB 1.115 31.492 30.300 0.128 0.000 1.123 532 R HN 0.505 nan 8.270 nan 0.000 0.455 533 H N 3.417 122.415 119.070 -0.119 0.000 2.819 533 H HA 0.127 4.689 4.556 0.009 0.000 0.303 533 H C -0.553 174.594 175.328 -0.302 0.000 1.058 533 H CA -0.049 55.649 56.048 -0.584 0.000 1.471 533 H CB 0.579 29.879 29.762 -0.770 0.000 1.480 533 H HN 0.269 nan 8.280 nan 0.000 0.517 534 V N 5.664 125.250 119.914 -0.546 0.000 2.617 534 V HA 0.150 4.276 4.120 0.009 0.000 0.304 534 V C 1.604 177.377 176.094 -0.536 0.000 1.040 534 V CA 1.479 63.529 62.300 -0.416 0.000 1.149 534 V CB 0.471 32.130 31.823 -0.273 0.000 0.914 534 V HN 1.165 nan 8.190 nan 0.000 0.487 535 G N 3.508 112.126 108.800 -0.303 0.000 2.157 535 G HA2 -0.190 3.775 3.960 0.009 0.000 0.248 535 G HA3 -0.190 3.775 3.960 0.009 0.000 0.248 535 G C 0.160 174.937 174.900 -0.205 0.000 0.979 535 G CA 0.511 45.468 45.100 -0.239 0.000 0.650 535 G HN 1.530 nan 8.290 nan 0.000 0.529 536 S N -1.744 113.834 115.700 -0.203 0.000 2.720 536 S HA 0.687 5.163 4.470 0.009 0.000 0.287 536 S C -0.294 174.276 174.600 -0.049 0.000 1.168 536 S CA 0.004 58.143 58.200 -0.101 0.000 0.832 536 S CB 1.806 64.972 63.200 -0.056 0.000 1.166 536 S HN 0.549 nan 8.310 nan 0.000 0.493 537 N N -0.071 118.624 118.700 -0.008 0.000 2.458 537 N HA 0.407 5.153 4.740 0.009 0.000 0.274 537 N C -1.246 174.289 175.510 0.041 0.000 1.242 537 N CA -0.261 52.797 53.050 0.014 0.000 0.904 537 N CB -0.419 38.075 38.487 0.012 0.000 1.206 537 N HN 0.593 nan 8.380 nan 0.000 0.510 538 L N -0.068 121.188 121.223 0.056 0.000 2.309 538 L HA 0.544 4.890 4.340 0.009 0.000 0.282 538 L C -0.458 176.501 176.870 0.149 0.000 1.036 538 L CA -0.801 54.093 54.840 0.090 0.000 0.806 538 L CB 1.684 43.791 42.059 0.079 0.000 1.220 538 L HN 0.095 nan 8.230 nan 0.000 0.429 539 c N 2.802 121.512 118.600 0.184 0.000 2.561 539 c HA 0.450 5.025 4.570 0.009 0.000 0.319 539 c C 0.033 174.303 174.090 0.300 0.000 1.198 539 c CA -0.868 55.616 56.329 0.258 0.000 1.665 539 c CB 1.855 44.486 42.510 0.202 0.000 2.258 539 c HN 0.597 nan 8.230 nan 0.000 0.493 540 L N 3.554 124.967 121.223 0.318 0.000 2.513 540 L HA 0.288 4.634 4.340 0.009 0.000 0.272 540 L C -0.133 176.945 176.870 0.347 0.000 1.187 540 L CA 1.482 56.400 54.840 0.130 0.000 0.895 540 L CB -0.088 41.692 42.059 -0.465 0.000 1.147 540 L HN 0.622 nan 8.230 nan 0.000 0.483 541 D N 1.778 122.341 120.400 0.273 0.000 2.780 541 D HA 0.263 4.908 4.640 0.009 0.000 0.242 541 D C 0.108 176.565 176.300 0.261 0.000 1.135 541 D CA 0.019 54.187 54.000 0.281 0.000 0.859 541 D CB 2.134 43.033 40.800 0.165 0.000 1.530 541 D HN 0.609 nan 8.370 nan 0.000 0.493 542 S N 2.530 118.379 115.700 0.248 0.000 2.577 542 S HA -0.011 4.464 4.470 0.009 0.000 0.219 542 S C 1.518 176.166 174.600 0.080 0.000 0.962 542 S CA -0.341 57.969 58.200 0.183 0.000 0.921 542 S CB -0.077 63.210 63.200 0.146 0.000 0.789 542 S HN 0.603 nan 8.310 nan 0.000 0.497 543 R N 1.756 122.293 120.500 0.061 0.000 2.241 543 R HA -0.054 4.291 4.340 0.009 0.000 0.224 543 R C 1.299 177.622 176.300 0.039 0.000 1.101 543 R CA 1.713 57.834 56.100 0.034 0.000 0.995 543 R CB -1.256 29.062 30.300 0.029 0.000 0.870 543 R HN 0.509 nan 8.270 nan 0.000 0.463 544 T N -3.528 111.058 114.554 0.053 0.000 3.105 544 T HA 0.430 4.785 4.350 0.009 0.000 0.253 544 T C 1.784 176.514 174.700 0.051 0.000 1.047 544 T CA 0.073 62.202 62.100 0.048 0.000 0.944 544 T CB 0.869 69.767 68.868 0.050 0.000 1.016 544 T HN 0.270 nan 8.240 nan 0.000 0.544 545 A N 2.819 125.674 122.820 0.058 0.000 1.948 545 A HA -0.134 4.192 4.320 0.009 0.000 0.220 545 A C 2.236 179.850 177.584 0.051 0.000 1.177 545 A CA 1.454 53.528 52.037 0.061 0.000 0.636 545 A CB -0.520 18.521 19.000 0.069 0.000 0.815 545 A HN 0.550 nan 8.150 nan 0.000 0.449 546 K N -0.299 120.125 120.400 0.041 0.000 2.444 546 K HA 0.136 4.462 4.320 0.009 0.000 0.193 546 K C 0.524 177.144 176.600 0.034 0.000 1.024 546 K CA 0.635 56.944 56.287 0.036 0.000 1.077 546 K CB 0.259 32.776 32.500 0.027 0.000 0.833 546 K HN 0.332 nan 8.250 nan 0.000 0.517 547 S N -0.348 115.373 115.700 0.035 0.000 2.664 547 S HA 0.245 4.721 4.470 0.009 0.000 0.245 547 S C 0.713 175.334 174.600 0.035 0.000 1.019 547 S CA 0.104 58.323 58.200 0.032 0.000 0.996 547 S CB 1.317 64.534 63.200 0.028 0.000 0.878 547 S HN 0.536 nan 8.310 nan 0.000 0.493 548 G N 0.394 109.220 108.800 0.042 0.000 2.813 548 G HA2 0.303 4.268 3.960 0.009 0.000 0.194 548 G HA3 0.303 4.268 3.960 0.009 0.000 0.194 548 G C 0.333 175.268 174.900 0.058 0.000 1.010 548 G CA -0.074 45.054 45.100 0.046 0.000 0.771 548 G HN 1.164 nan 8.290 nan 0.000 0.485 549 G N -0.778 108.056 108.800 0.057 0.000 2.346 549 G HA2 0.391 4.357 3.960 0.009 0.000 0.294 549 G HA3 0.391 4.357 3.960 0.009 0.000 0.294 549 G C -0.522 174.412 174.900 0.056 0.000 1.294 549 G CA -0.431 44.705 45.100 0.061 0.000 0.962 549 G HN 0.929 nan 8.290 nan 0.000 0.508 550 L N 0.890 122.139 121.223 0.044 0.000 2.461 550 L HA 0.523 4.869 4.340 0.009 0.000 0.272 550 L C 1.200 178.094 176.870 0.040 0.000 1.197 550 L CA 0.312 55.177 54.840 0.042 0.000 0.836 550 L CB 0.945 42.983 42.059 -0.035 0.000 1.105 550 L HN 0.969 nan 8.230 nan 0.000 0.477 551 S N 0.631 116.370 115.700 0.065 0.000 2.740 551 S HA 0.764 5.240 4.470 0.009 0.000 0.300 551 S C -0.631 174.034 174.600 0.108 0.000 1.147 551 S CA -0.911 57.333 58.200 0.073 0.000 0.871 551 S CB 1.830 65.070 63.200 0.066 0.000 1.173 551 S HN 0.397 nan 8.310 nan 0.000 0.510 552 V N -0.662 119.315 119.914 0.105 0.000 2.472 552 V HA 0.929 5.054 4.120 0.009 0.000 0.290 552 V C -0.445 175.706 176.094 0.096 0.000 1.037 552 V CA -0.424 61.953 62.300 0.128 0.000 0.908 552 V CB 0.710 32.578 31.823 0.075 0.000 0.985 552 V HN 1.052 nan 8.190 nan 0.000 0.454 553 E N 2.728 122.993 120.200 0.109 0.000 2.383 553 E HA 0.566 4.922 4.350 0.009 0.000 0.275 553 E C -1.094 175.554 176.600 0.080 0.000 0.918 553 E CA -0.816 55.634 56.400 0.083 0.000 0.764 553 E CB 2.388 32.138 29.700 0.083 0.000 1.252 553 E HN 0.669 nan 8.360 nan 0.000 0.449 554 V N 2.646 122.595 119.914 0.059 0.000 2.584 554 V HA -0.059 4.066 4.120 0.009 0.000 0.303 554 V C 0.217 176.347 176.094 0.060 0.000 1.035 554 V CA -0.206 62.125 62.300 0.052 0.000 1.172 554 V CB -0.280 31.565 31.823 0.036 0.000 0.896 554 V HN 0.760 nan 8.190 nan 0.000 0.486 555 c N 5.665 124.303 118.600 0.064 0.000 2.590 555 c HA 0.531 5.106 4.570 0.009 0.000 0.411 555 c C 1.102 175.222 174.090 0.050 0.000 1.420 555 c CA 0.416 56.786 56.329 0.069 0.000 1.643 555 c CB -1.524 41.028 42.510 0.069 0.000 2.528 555 c HN 1.158 nan 8.230 nan 0.000 0.606 556 G N 3.665 112.493 108.800 0.048 0.000 2.721 556 G HA2 0.647 4.613 3.960 0.009 0.000 0.296 556 G HA3 0.647 4.613 3.960 0.009 0.000 0.296 556 G C -2.334 172.581 174.900 0.024 0.000 1.383 556 G CA -0.453 44.666 45.100 0.031 0.000 0.788 556 G HN 0.303 nan 8.290 nan 0.000 0.500 557 P HA 0.169 nan 4.420 nan 0.000 0.247 557 P C 0.795 178.090 177.300 -0.009 0.000 1.225 557 P CA 0.580 63.681 63.100 0.002 0.000 0.768 557 P CB 0.038 31.738 31.700 -0.000 0.000 1.020 558 A N 0.359 123.175 122.820 -0.007 0.000 2.498 558 A HA 0.095 4.420 4.320 0.009 0.000 0.239 558 A C 1.494 179.045 177.584 -0.054 0.000 1.068 558 A CA -0.218 51.806 52.037 -0.022 0.000 0.766 558 A CB -0.198 18.797 19.000 -0.008 0.000 1.003 558 A HN 0.102 nan 8.150 nan 0.000 0.497 559 L N 2.359 123.537 121.223 -0.074 0.000 2.191 559 L HA -0.172 4.173 4.340 0.009 0.000 0.212 559 L C 2.626 179.381 176.870 -0.192 0.000 1.103 559 L CA 1.662 56.429 54.840 -0.122 0.000 0.769 559 L CB -0.304 41.689 42.059 -0.110 0.000 0.908 559 L HN 0.949 nan 8.230 nan 0.000 0.438 560 S N -1.366 114.246 115.700 -0.146 0.000 2.547 560 S HA -0.149 4.326 4.470 0.009 0.000 0.235 560 S C 1.508 176.004 174.600 -0.173 0.000 0.980 560 S CA 0.547 58.645 58.200 -0.170 0.000 0.941 560 S CB -0.138 63.027 63.200 -0.057 0.000 0.763 560 S HN 0.538 nan 8.310 nan 0.000 0.532 561 Q N 0.136 119.856 119.800 -0.133 0.000 2.219 561 Q HA 0.244 4.590 4.340 0.009 0.000 0.209 561 Q C -0.337 175.582 176.000 -0.135 0.000 0.854 561 Q CA -0.107 55.700 55.803 0.007 0.000 0.960 561 Q CB 0.410 29.203 28.738 0.091 0.000 1.116 561 Q HN 0.493 nan 8.270 nan 0.000 0.500 562 Q N 0.031 119.578 119.800 -0.422 0.000 2.294 562 Q HA 0.168 4.514 4.340 0.009 0.000 0.257 562 Q C -1.208 174.388 176.000 -0.674 0.000 0.955 562 Q CA 0.419 56.006 55.803 -0.359 0.000 0.936 562 Q CB 0.653 29.235 28.738 -0.261 0.000 1.188 562 Q HN 0.146 nan 8.270 nan 0.000 0.420 563 W N 2.118 123.402 121.300 -0.026 0.000 2.968 563 W HA 0.369 5.034 4.660 0.008 0.000 0.337 563 W C -0.102 176.418 176.519 0.003 0.000 1.060 563 W CA -0.767 56.557 57.345 -0.035 0.000 1.240 563 W CB 1.526 30.938 29.460 -0.080 0.000 1.370 563 W HN 0.315 nan 8.180 nan 0.000 0.459 564 K N 2.688 123.216 120.400 0.212 0.000 2.292 564 K HA 0.562 4.887 4.320 0.009 0.000 0.257 564 K C -1.403 175.333 176.600 0.227 0.000 0.940 564 K CA -0.660 55.730 56.287 0.172 0.000 0.811 564 K CB 1.010 33.560 32.500 0.083 0.000 1.120 564 K HN 0.327 nan 8.250 nan 0.000 0.428 565 F N 4.258 124.250 119.950 0.069 0.000 2.413 565 F HA 0.271 4.802 4.527 0.007 0.000 0.359 565 F C -0.271 175.566 175.800 0.061 0.000 1.122 565 F CA -0.250 57.788 58.000 0.065 0.000 1.160 565 F CB 0.646 39.676 39.000 0.051 0.000 1.146 565 F HN 0.534 nan 8.300 nan 0.000 0.514 566 T N 6.011 120.340 114.554 -0.374 0.000 2.756 566 T HA 0.504 4.859 4.350 0.009 0.000 0.290 566 T C -0.146 174.263 174.700 -0.484 0.000 0.985 566 T CA -0.876 61.044 62.100 -0.299 0.000 0.955 566 T CB 0.455 69.241 68.868 -0.137 0.000 0.930 566 T HN 0.510 nan 8.240 nan 0.000 0.451 567 L N 4.437 125.443 121.223 -0.362 0.000 2.499 567 L HA 0.349 4.695 4.340 0.009 0.000 0.273 567 L C 0.861 177.650 176.870 -0.135 0.000 1.195 567 L CA 0.052 54.735 54.840 -0.261 0.000 0.882 567 L CB -0.105 41.901 42.059 -0.088 0.000 1.133 567 L HN 0.820 nan 8.230 nan 0.000 0.483 568 N N 0.000 118.654 118.700 -0.077 0.000 1.763 568 N HA 0.000 4.745 4.740 0.009 0.000 0.220 568 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 568 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 568 N HN 0.000 nan 8.380 nan 0.000 0.667