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 1m21_1_A DATA FIRST_RESID 43 DATA SEQUENCE FPYAETDVAD LQARMTAGEL DSTTLTQAYL QRIAALDRTG PRLRAVIELN DATA SEQUENCE PDALKEAAER DRERRDGRLR GPLHGIPLLL KDNINAAPMA TSAGSLALQG DATA SEQUENCE FRPDDAYLVR RLRDAGAVVL GKTNLSEWAN FRGNDSISGW SARGGQTRNP DATA SEQUENCE YRISHSPCGS SSGSAVAVAA NLASVAIGTE TDGSIVCPAA INGVVGLKPT DATA SEQUENCE VGLVSRDGII PISFSQDTAG PMARSVADAA AVLTAIAGRD DADPATATMP DATA SEQUENCE GRAVYDYTAR LDPQGLRGKR IGLLQTPLLK YRGMPPLIEQ AATELRRAGA DATA SEQUENCE VVVPVELPNQ GAWAEAERTL LLYEFKAGLE RYFNTHRAPL RSLADLIAFN DATA SEQUENCE QAHSKQELGL FGQELLVEAD ATAGLADPAY IRARSDARRL AGPEGIDAAL DATA SEQUENCE AAHQLDALVA PTTGVAWPIR SEGDDFPGES YSAAAVAGYP SLTVPMGQID DATA SEQUENCE GLPVGLLFMG TAWSEPKLIE MAYAYEQRTR ARRPPHF 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 43 F HA 0.000 nan 4.527 nan 0.000 0.279 43 F C 0.000 175.674 175.800 -0.210 0.000 0.967 43 F CA 0.000 57.929 58.000 -0.119 0.000 1.383 43 F CB 0.000 38.976 39.000 -0.040 0.000 1.145 44 P HA -0.085 nan 4.420 nan 0.000 0.221 44 P C 0.145 176.818 177.300 -1.044 0.000 1.145 44 P CA 1.488 64.025 63.100 -0.939 0.000 0.795 44 P CB -0.006 30.979 31.700 -1.192 0.000 0.775 45 Y N -1.755 118.072 120.300 -0.788 0.000 2.584 45 Y HA 0.508 5.057 4.550 -0.001 0.000 0.254 45 Y C 1.023 176.910 175.900 -0.022 0.000 1.177 45 Y CA -1.369 56.471 58.100 -0.435 0.000 1.216 45 Y CB -0.895 37.218 38.460 -0.579 0.000 1.172 45 Y HN -0.199 nan 8.280 nan 0.000 0.529 46 A N 1.007 123.943 122.820 0.193 0.000 2.520 46 A HA 0.234 4.554 4.320 -0.001 0.000 0.245 46 A C 0.929 178.640 177.584 0.211 0.000 1.072 46 A CA 0.003 52.261 52.037 0.368 0.000 0.761 46 A CB -0.003 19.183 19.000 0.311 0.000 1.004 46 A HN 0.491 nan 8.150 nan 0.000 0.499 47 E N 0.204 120.535 120.200 0.218 0.000 2.722 47 E HA -0.159 4.191 4.350 -0.001 0.000 0.265 47 E C -0.137 176.545 176.600 0.136 0.000 1.081 47 E CA 1.655 58.148 56.400 0.155 0.000 0.781 47 E CB -2.641 27.128 29.700 0.114 0.000 1.372 47 E HN 0.729 nan 8.360 nan 0.000 0.423 48 T N 1.960 116.612 114.554 0.164 0.000 2.771 48 T HA 0.208 4.557 4.350 -0.001 0.000 0.291 48 T C 0.278 175.058 174.700 0.134 0.000 0.954 48 T CA -0.627 61.555 62.100 0.135 0.000 1.045 48 T CB 1.265 70.222 68.868 0.149 0.000 0.917 48 T HN -0.047 nan 8.240 nan 0.000 0.484 49 D N 2.114 122.576 120.400 0.104 0.000 2.368 49 D HA 0.049 4.688 4.640 -0.001 0.000 0.240 49 D C 1.573 177.925 176.300 0.086 0.000 1.169 49 D CA -0.263 53.794 54.000 0.095 0.000 0.906 49 D CB 1.350 42.202 40.800 0.086 0.000 1.187 49 D HN 0.142 nan 8.370 nan 0.000 0.435 50 V N 1.936 121.896 119.914 0.076 0.000 2.282 50 V HA -0.304 3.815 4.120 -0.001 0.000 0.249 50 V C 2.356 178.480 176.094 0.050 0.000 1.057 50 V CA 2.508 64.845 62.300 0.062 0.000 1.032 50 V CB -0.683 31.170 31.823 0.051 0.000 0.645 50 V HN 0.730 nan 8.190 nan 0.000 0.447 51 A N -0.411 122.436 122.820 0.046 0.000 1.933 51 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 51 A C 2.021 179.627 177.584 0.035 0.000 1.175 51 A CA 2.001 54.058 52.037 0.035 0.000 0.628 51 A CB -0.546 18.472 19.000 0.031 0.000 0.814 51 A HN 0.591 nan 8.150 nan 0.000 0.444 52 D N 0.008 120.435 120.400 0.046 0.000 2.117 52 D HA -0.077 4.562 4.640 -0.001 0.000 0.198 52 D C 1.998 178.322 176.300 0.041 0.000 0.982 52 D CA 1.011 55.038 54.000 0.044 0.000 0.828 52 D CB -0.250 40.583 40.800 0.055 0.000 0.967 52 D HN 0.457 nan 8.370 nan 0.000 0.464 53 L N 0.556 121.806 121.223 0.046 0.000 2.046 53 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 53 L C 2.593 179.473 176.870 0.016 0.000 1.077 53 L CA 0.893 55.750 54.840 0.028 0.000 0.747 53 L CB -0.307 41.769 42.059 0.028 0.000 0.896 53 L HN -0.020 nan 8.230 nan 0.000 0.432 54 Q N 0.355 120.170 119.800 0.025 0.000 2.084 54 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 54 Q C 2.192 178.198 176.000 0.011 0.000 0.978 54 Q CA 2.022 57.838 55.803 0.022 0.000 0.844 54 Q CB -0.259 28.494 28.738 0.026 0.000 0.898 54 Q HN 0.424 nan 8.270 nan 0.000 0.426 55 A N 0.390 123.218 122.820 0.013 0.000 1.902 55 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 55 A C 2.091 179.679 177.584 0.005 0.000 1.181 55 A CA 1.538 53.579 52.037 0.007 0.000 0.623 55 A CB -0.452 18.555 19.000 0.012 0.000 0.818 55 A HN 0.404 nan 8.150 nan 0.000 0.443 56 R N -1.028 119.478 120.500 0.011 0.000 2.081 56 R HA -0.034 4.305 4.340 -0.001 0.000 0.235 56 R C 2.253 178.554 176.300 0.001 0.000 1.131 56 R CA 1.694 57.800 56.100 0.010 0.000 0.960 56 R CB -0.389 29.924 30.300 0.022 0.000 0.856 56 R HN 0.534 nan 8.270 nan 0.000 0.436 57 M N -0.253 119.345 119.600 -0.003 0.000 2.175 57 M HA -0.099 4.380 4.480 -0.001 0.000 0.264 57 M C 1.949 178.241 176.300 -0.012 0.000 1.063 57 M CA 1.485 56.781 55.300 -0.007 0.000 1.119 57 M CB -0.209 32.393 32.600 0.002 0.000 1.377 57 M HN 0.107 nan 8.290 nan 0.000 0.415 58 T N 0.677 115.222 114.554 -0.015 0.000 2.915 58 T HA -0.009 4.340 4.350 -0.001 0.000 0.269 58 T C 1.693 176.381 174.700 -0.021 0.000 1.071 58 T CA 1.365 63.450 62.100 -0.026 0.000 1.132 58 T CB -0.139 68.713 68.868 -0.025 0.000 0.878 58 T HN 0.478 nan 8.240 nan 0.000 0.479 59 A N 0.313 123.126 122.820 -0.013 0.000 2.208 59 A HA 0.516 4.835 4.320 -0.001 0.000 0.209 59 A C 1.871 179.449 177.584 -0.010 0.000 1.161 59 A CA 0.762 52.793 52.037 -0.010 0.000 0.782 59 A CB -0.624 18.373 19.000 -0.005 0.000 0.816 59 A HN 0.678 nan 8.150 nan 0.000 0.477 60 G N -0.663 108.131 108.800 -0.010 0.000 2.147 60 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.244 60 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.244 60 G C 0.347 175.244 174.900 -0.004 0.000 1.005 60 G CA 0.483 45.577 45.100 -0.009 0.000 0.713 60 G HN 0.424 nan 8.290 nan 0.000 0.515 61 E N -1.338 118.861 120.200 -0.001 0.000 2.481 61 E HA 0.378 4.727 4.350 -0.001 0.000 0.198 61 E C 0.533 177.139 176.600 0.010 0.000 1.027 61 E CA 0.249 56.651 56.400 0.004 0.000 0.900 61 E CB 0.758 30.462 29.700 0.007 0.000 0.993 61 E HN 0.678 nan 8.360 nan 0.000 0.482 62 L N 1.222 122.446 121.223 0.002 0.000 2.591 62 L HA 0.267 4.606 4.340 -0.001 0.000 0.257 62 L C -2.089 174.767 176.870 -0.023 0.000 0.935 62 L CA -0.615 54.219 54.840 -0.009 0.000 0.873 62 L CB 2.001 44.050 42.059 -0.017 0.000 1.397 62 L HN -0.150 nan 8.230 nan 0.000 0.414 63 D N 0.962 121.342 120.400 -0.033 0.000 2.423 63 D HA 0.421 5.060 4.640 -0.001 0.000 0.235 63 D C 0.461 176.736 176.300 -0.042 0.000 1.011 63 D CA -0.136 53.851 54.000 -0.022 0.000 0.963 63 D CB 1.627 42.422 40.800 -0.008 0.000 1.349 63 D HN 0.338 nan 8.370 nan 0.000 0.508 64 S N -0.591 115.100 115.700 -0.015 0.000 2.370 64 S HA -0.198 4.271 4.470 -0.001 0.000 0.226 64 S C 1.824 176.408 174.600 -0.028 0.000 1.033 64 S CA 2.283 60.470 58.200 -0.021 0.000 1.011 64 S CB -0.947 62.254 63.200 0.002 0.000 0.852 64 S HN 0.697 nan 8.310 nan 0.000 0.457 65 T N -1.352 113.191 114.554 -0.017 0.000 2.788 65 T HA -0.085 4.264 4.350 -0.001 0.000 0.268 65 T C 1.872 176.560 174.700 -0.020 0.000 1.044 65 T CA 1.914 64.007 62.100 -0.011 0.000 1.139 65 T CB -1.275 67.591 68.868 -0.004 0.000 0.867 65 T HN 0.367 nan 8.240 nan 0.000 0.454 66 T N 2.207 116.739 114.554 -0.037 0.000 2.737 66 T HA 0.049 4.398 4.350 -0.001 0.000 0.265 66 T C 1.795 176.429 174.700 -0.110 0.000 1.038 66 T CA 1.213 63.288 62.100 -0.042 0.000 1.144 66 T CB -0.537 68.314 68.868 -0.029 0.000 0.866 66 T HN 0.220 nan 8.240 nan 0.000 0.434 67 L N 1.126 122.214 121.223 -0.226 0.000 2.017 67 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 67 L C 2.495 179.265 176.870 -0.166 0.000 1.073 67 L CA 1.891 56.475 54.840 -0.428 0.000 0.745 67 L CB -1.291 40.532 42.059 -0.393 0.000 0.894 67 L HN 0.182 nan 8.230 nan 0.000 0.432 68 T N -0.662 113.887 114.554 -0.008 0.000 2.708 68 T HA -0.207 4.143 4.350 -0.001 0.000 0.266 68 T C 1.811 176.571 174.700 0.100 0.000 1.037 68 T CA 1.733 63.895 62.100 0.104 0.000 1.146 68 T CB -0.180 68.721 68.868 0.055 0.000 0.865 68 T HN 0.479 nan 8.240 nan 0.000 0.435 69 Q N 0.336 120.164 119.800 0.047 0.000 2.224 69 Q HA 0.045 4.384 4.340 -0.001 0.000 0.203 69 Q C 2.692 178.743 176.000 0.086 0.000 0.970 69 Q CA 1.095 56.932 55.803 0.057 0.000 0.865 69 Q CB -0.248 28.511 28.738 0.035 0.000 0.922 69 Q HN 0.547 nan 8.270 nan 0.000 0.445 70 A N 0.287 123.154 122.820 0.079 0.000 1.873 70 A HA -0.191 4.128 4.320 -0.001 0.000 0.215 70 A C 1.647 179.382 177.584 0.253 0.000 1.186 70 A CA 1.169 53.310 52.037 0.173 0.000 0.616 70 A CB -0.722 18.381 19.000 0.172 0.000 0.823 70 A HN 0.318 nan 8.150 nan 0.000 0.442 71 Y N 0.130 120.581 120.300 0.251 0.000 2.224 71 Y HA -0.094 4.456 4.550 -0.001 0.000 0.289 71 Y C 2.201 178.121 175.900 0.034 0.000 1.146 71 Y CA 1.134 59.321 58.100 0.145 0.000 1.182 71 Y CB -0.584 37.935 38.460 0.099 0.000 0.983 71 Y HN 0.178 nan 8.280 nan 0.000 0.524 72 L N -0.481 120.859 121.223 0.195 0.000 2.083 72 L HA -0.260 4.079 4.340 -0.001 0.000 0.209 72 L C 2.541 179.443 176.870 0.054 0.000 1.083 72 L CA 1.605 56.500 54.840 0.092 0.000 0.752 72 L CB -0.533 41.566 42.059 0.067 0.000 0.899 72 L HN 0.252 nan 8.230 nan 0.000 0.433 73 Q N 0.180 120.020 119.800 0.068 0.000 2.119 73 Q HA -0.227 4.112 4.340 -0.001 0.000 0.201 73 Q C 2.358 178.355 176.000 -0.004 0.000 0.972 73 Q CA 1.287 57.112 55.803 0.037 0.000 0.847 73 Q CB 0.112 28.887 28.738 0.061 0.000 0.903 73 Q HN 0.323 nan 8.270 nan 0.000 0.433 74 R N 0.029 120.519 120.500 -0.017 0.000 2.090 74 R HA -0.054 4.285 4.340 -0.001 0.000 0.228 74 R C 2.133 178.350 176.300 -0.139 0.000 1.110 74 R CA 1.033 57.045 56.100 -0.146 0.000 0.973 74 R CB -0.118 29.972 30.300 -0.350 0.000 0.869 74 R HN 0.312 nan 8.270 nan 0.000 0.440 75 I N 0.683 121.210 120.570 -0.071 0.000 2.226 75 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 75 I C 2.474 178.545 176.117 -0.077 0.000 1.100 75 I CA 1.312 62.568 61.300 -0.074 0.000 1.374 75 I CB -0.353 37.626 38.000 -0.035 0.000 1.057 75 I HN 0.295 nan 8.210 nan 0.000 0.413 76 A N 0.578 123.365 122.820 -0.054 0.000 1.933 76 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 76 A C 2.459 180.001 177.584 -0.070 0.000 1.175 76 A CA 1.852 53.859 52.037 -0.050 0.000 0.628 76 A CB -0.681 18.301 19.000 -0.029 0.000 0.814 76 A HN 0.444 nan 8.150 nan 0.000 0.444 77 A N -1.292 121.473 122.820 -0.093 0.000 2.067 77 A HA 0.320 4.640 4.320 -0.001 0.000 0.217 77 A C 1.908 179.388 177.584 -0.172 0.000 1.156 77 A CA 1.182 53.150 52.037 -0.116 0.000 0.683 77 A CB -0.210 18.720 19.000 -0.116 0.000 0.808 77 A HN 0.446 nan 8.150 nan 0.000 0.455 78 L N -2.495 118.597 121.223 -0.219 0.000 2.685 78 L HA 0.184 4.524 4.340 -0.001 0.000 0.235 78 L C 1.771 178.518 176.870 -0.205 0.000 1.070 78 L CA 0.714 55.372 54.840 -0.304 0.000 0.888 78 L CB 0.146 41.892 42.059 -0.522 0.000 1.203 78 L HN 0.278 nan 8.230 nan 0.000 0.499 79 D N 0.117 120.430 120.400 -0.145 0.000 2.259 79 D HA -0.029 4.610 4.640 -0.001 0.000 0.216 79 D C 2.314 178.575 176.300 -0.065 0.000 0.961 79 D CA 0.794 54.737 54.000 -0.094 0.000 0.878 79 D CB 0.451 41.203 40.800 -0.081 0.000 1.009 79 D HN -0.006 nan 8.370 nan 0.000 0.490 80 R N -0.459 120.004 120.500 -0.062 0.000 2.140 80 R HA 0.144 4.483 4.340 -0.001 0.000 0.213 80 R C 0.889 177.166 176.300 -0.038 0.000 1.059 80 R CA 1.023 57.097 56.100 -0.042 0.000 1.000 80 R CB 0.319 30.597 30.300 -0.037 0.000 0.910 80 R HN 0.277 nan 8.270 nan 0.000 0.455 81 T N -3.666 110.857 114.554 -0.053 0.000 2.676 81 T HA 0.631 4.980 4.350 -0.001 0.000 0.269 81 T C 0.980 175.642 174.700 -0.062 0.000 0.952 81 T CA -0.193 61.880 62.100 -0.045 0.000 1.040 81 T CB 1.729 70.572 68.868 -0.041 0.000 1.352 81 T HN 0.252 nan 8.240 nan 0.000 0.554 82 G N 1.679 110.449 108.800 -0.050 0.000 2.629 82 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.313 82 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.313 82 G C -1.092 173.787 174.900 -0.035 0.000 1.217 82 G CA 0.377 45.444 45.100 -0.054 0.000 0.994 82 G HN 0.894 nan 8.290 nan 0.000 0.549 83 P HA 0.002 nan 4.420 nan 0.000 0.230 83 P C 0.448 177.750 177.300 0.004 0.000 1.158 83 P CA 1.168 64.273 63.100 0.009 0.000 0.769 83 P CB -0.095 31.634 31.700 0.049 0.000 0.807 84 R N -0.500 119.982 120.500 -0.030 0.000 3.146 84 R HA -0.136 4.203 4.340 -0.001 0.000 0.250 84 R C 1.062 177.360 176.300 -0.003 0.000 0.912 84 R CA -0.240 55.849 56.100 -0.019 0.000 0.633 84 R CB -2.295 28.007 30.300 0.003 0.000 1.180 84 R HN 0.289 nan 8.270 nan 0.000 0.464 85 L N 0.348 121.558 121.223 -0.020 0.000 2.191 85 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 85 L C 1.246 178.118 176.870 0.002 0.000 1.103 85 L CA 0.859 55.702 54.840 0.005 0.000 0.769 85 L CB -0.255 41.801 42.059 -0.004 0.000 0.908 85 L HN 0.426 nan 8.230 nan 0.000 0.438 86 R N -0.908 119.582 120.500 -0.016 0.000 3.416 86 R HA -0.244 4.095 4.340 -0.001 0.000 0.263 86 R C 1.123 177.408 176.300 -0.025 0.000 1.053 86 R CA 0.344 56.432 56.100 -0.020 0.000 0.705 86 R CB -1.999 28.298 30.300 -0.006 0.000 1.124 86 R HN 0.481 nan 8.270 nan 0.000 0.444 87 A N 0.015 122.818 122.820 -0.028 0.000 2.021 87 A HA 0.124 4.443 4.320 -0.001 0.000 0.216 87 A C 0.987 178.545 177.584 -0.043 0.000 1.163 87 A CA 0.625 52.645 52.037 -0.028 0.000 0.676 87 A CB 0.690 19.677 19.000 -0.022 0.000 0.818 87 A HN 0.094 nan 8.150 nan 0.000 0.453 88 V N 0.946 120.831 119.914 -0.049 0.000 2.350 88 V HA 0.230 4.349 4.120 -0.001 0.000 0.276 88 V C 1.095 177.155 176.094 -0.057 0.000 1.028 88 V CA -0.200 62.067 62.300 -0.055 0.000 0.860 88 V CB 1.177 32.968 31.823 -0.054 0.000 0.990 88 V HN 0.516 nan 8.190 nan 0.000 0.453 89 I N 2.716 123.246 120.570 -0.065 0.000 2.852 89 I HA 0.230 4.400 4.170 -0.001 0.000 0.264 89 I C 0.890 176.968 176.117 -0.064 0.000 1.179 89 I CA 0.955 62.211 61.300 -0.074 0.000 1.480 89 I CB 0.525 38.469 38.000 -0.093 0.000 1.111 89 I HN 0.727 nan 8.210 nan 0.000 0.441 90 E N 0.471 120.636 120.200 -0.059 0.000 2.354 90 E HA 0.345 4.695 4.350 -0.001 0.000 0.283 90 E C -1.467 175.105 176.600 -0.046 0.000 0.938 90 E CA -0.619 55.751 56.400 -0.051 0.000 0.777 90 E CB 1.650 31.318 29.700 -0.054 0.000 1.222 90 E HN 0.070 nan 8.360 nan 0.000 0.423 91 L N 2.789 123.990 121.223 -0.038 0.000 2.357 91 L HA 0.368 4.708 4.340 -0.001 0.000 0.273 91 L C 0.275 177.125 176.870 -0.033 0.000 1.080 91 L CA -0.855 53.965 54.840 -0.033 0.000 0.803 91 L CB 0.931 42.975 42.059 -0.024 0.000 1.174 91 L HN 0.476 nan 8.230 nan 0.000 0.443 92 N N 4.137 122.818 118.700 -0.032 0.000 2.405 92 N HA 0.118 4.858 4.740 -0.001 0.000 0.260 92 N C -1.514 173.980 175.510 -0.025 0.000 1.152 92 N CA -1.801 51.229 53.050 -0.033 0.000 0.948 92 N CB 1.000 39.466 38.487 -0.036 0.000 1.111 92 N HN 0.300 nan 8.380 nan 0.000 0.485 93 P HA -0.083 nan 4.420 nan 0.000 0.221 93 P C -0.348 176.942 177.300 -0.018 0.000 1.145 93 P CA 1.111 64.199 63.100 -0.019 0.000 0.795 93 P CB 0.443 32.131 31.700 -0.020 0.000 0.775 94 D N -0.696 119.691 120.400 -0.022 0.000 2.342 94 D HA 0.198 4.837 4.640 -0.001 0.000 0.221 94 D C 1.809 178.097 176.300 -0.021 0.000 1.101 94 D CA 0.092 54.079 54.000 -0.021 0.000 0.837 94 D CB 0.024 40.809 40.800 -0.025 0.000 0.938 94 D HN 0.084 nan 8.370 nan 0.000 0.508 95 A N 0.923 123.732 122.820 -0.018 0.000 1.883 95 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 95 A C 2.058 179.636 177.584 -0.010 0.000 1.186 95 A CA 1.024 53.052 52.037 -0.015 0.000 0.624 95 A CB -0.553 18.443 19.000 -0.007 0.000 0.822 95 A HN 0.289 nan 8.150 nan 0.000 0.444 96 L N -0.018 121.203 121.223 -0.005 0.000 2.083 96 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 96 L C 2.306 179.172 176.870 -0.008 0.000 1.083 96 L CA 2.637 57.475 54.840 -0.002 0.000 0.752 96 L CB -0.550 41.510 42.059 0.001 0.000 0.899 96 L HN 0.494 nan 8.230 nan 0.000 0.433 97 K N -0.462 119.931 120.400 -0.011 0.000 2.057 97 K HA -0.219 4.100 4.320 -0.001 0.000 0.207 97 K C 1.939 178.528 176.600 -0.019 0.000 1.049 97 K CA 1.882 58.161 56.287 -0.013 0.000 0.931 97 K CB -0.134 32.358 32.500 -0.015 0.000 0.714 97 K HN 0.495 nan 8.250 nan 0.000 0.440 98 E N 0.009 120.194 120.200 -0.025 0.000 2.051 98 E HA -0.185 4.165 4.350 -0.001 0.000 0.192 98 E C 2.012 178.587 176.600 -0.042 0.000 0.991 98 E CA 1.132 57.509 56.400 -0.038 0.000 0.799 98 E CB -0.151 29.523 29.700 -0.045 0.000 0.748 98 E HN 0.446 nan 8.360 nan 0.000 0.449 99 A N 1.447 124.249 122.820 -0.030 0.000 1.908 99 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 99 A C 2.385 179.960 177.584 -0.015 0.000 1.181 99 A CA 1.812 53.834 52.037 -0.025 0.000 0.627 99 A CB -0.689 18.305 19.000 -0.010 0.000 0.818 99 A HN 0.305 nan 8.150 nan 0.000 0.445 100 A N -0.606 122.208 122.820 -0.010 0.000 1.933 100 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 100 A C 1.972 179.557 177.584 0.002 0.000 1.175 100 A CA 2.106 54.142 52.037 -0.002 0.000 0.628 100 A CB -0.408 18.590 19.000 -0.002 0.000 0.814 100 A HN 0.510 nan 8.150 nan 0.000 0.444 101 E N 0.014 120.209 120.200 -0.008 0.000 2.106 101 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 101 E C 2.163 178.767 176.600 0.007 0.000 0.984 101 E CA 0.971 57.368 56.400 -0.004 0.000 0.806 101 E CB -0.137 29.552 29.700 -0.018 0.000 0.750 101 E HN 0.386 nan 8.360 nan 0.000 0.458 102 R N 0.770 121.257 120.500 -0.021 0.000 2.115 102 R HA -0.079 4.260 4.340 -0.001 0.000 0.230 102 R C 1.568 177.972 176.300 0.173 0.000 1.111 102 R CA 1.290 57.380 56.100 -0.018 0.000 0.976 102 R CB -0.576 29.606 30.300 -0.196 0.000 0.870 102 R HN 0.306 nan 8.270 nan 0.000 0.445 103 D N 0.293 120.744 120.400 0.084 0.000 2.149 103 D HA -0.064 4.575 4.640 -0.001 0.000 0.201 103 D C 2.025 178.361 176.300 0.061 0.000 0.972 103 D CA 0.802 54.848 54.000 0.076 0.000 0.835 103 D CB -0.076 40.745 40.800 0.035 0.000 0.966 103 D HN 0.170 nan 8.370 nan 0.000 0.476 104 R N 0.690 121.219 120.500 0.047 0.000 2.096 104 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 104 R C 2.139 178.464 176.300 0.042 0.000 1.127 104 R CA 0.935 57.055 56.100 0.033 0.000 0.968 104 R CB -0.080 30.233 30.300 0.022 0.000 0.861 104 R HN 0.342 nan 8.270 nan 0.000 0.440 105 E N 0.091 120.338 120.200 0.078 0.000 2.106 105 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 105 E C 2.082 178.705 176.600 0.038 0.000 0.984 105 E CA 0.783 57.236 56.400 0.088 0.000 0.806 105 E CB -0.095 29.713 29.700 0.180 0.000 0.750 105 E HN 0.232 nan 8.360 nan 0.000 0.458 106 R N 1.243 121.767 120.500 0.039 0.000 2.075 106 R HA -0.080 4.259 4.340 -0.001 0.000 0.232 106 R C 2.169 178.441 176.300 -0.046 0.000 1.126 106 R CA 1.124 57.176 56.100 -0.081 0.000 0.963 106 R CB 0.059 30.320 30.300 -0.064 0.000 0.858 106 R HN 0.030 nan 8.270 nan 0.000 0.435 107 R N -0.195 120.299 120.500 -0.011 0.000 2.189 107 R HA -0.110 4.230 4.340 -0.001 0.000 0.223 107 R C 1.131 177.424 176.300 -0.013 0.000 1.092 107 R CA 1.387 57.480 56.100 -0.011 0.000 0.989 107 R CB -0.123 30.176 30.300 -0.001 0.000 0.876 107 R HN 0.279 nan 8.270 nan 0.000 0.457 108 D N -0.854 119.540 120.400 -0.010 0.000 2.339 108 D HA 0.050 4.689 4.640 -0.001 0.000 0.217 108 D C 0.600 176.889 176.300 -0.019 0.000 1.050 108 D CA 0.639 54.634 54.000 -0.009 0.000 0.856 108 D CB 0.398 41.199 40.800 0.001 0.000 0.922 108 D HN 0.282 nan 8.370 nan 0.000 0.518 109 G N 1.342 110.121 108.800 -0.035 0.000 2.182 109 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.248 109 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.248 109 G C 0.202 175.072 174.900 -0.050 0.000 1.042 109 G CA -0.133 44.938 45.100 -0.048 0.000 0.775 109 G HN 0.379 nan 8.290 nan 0.000 0.501 110 R N -0.069 120.402 120.500 -0.050 0.000 3.057 110 R HA 0.393 4.733 4.340 -0.001 0.000 0.291 110 R C 0.494 176.765 176.300 -0.049 0.000 1.394 110 R CA -0.554 55.531 56.100 -0.027 0.000 1.630 110 R CB 0.514 30.823 30.300 0.014 0.000 1.268 110 R HN 0.330 nan 8.270 nan 0.000 0.621 111 L N 1.336 122.472 121.223 -0.145 0.000 2.380 111 L HA 0.256 4.595 4.340 -0.001 0.000 0.273 111 L C 1.482 178.356 176.870 0.008 0.000 1.138 111 L CA -0.064 54.612 54.840 -0.273 0.000 0.832 111 L CB 0.862 42.748 42.059 -0.288 0.000 1.124 111 L HN 0.322 nan 8.230 nan 0.000 0.454 112 R N 1.523 122.187 120.500 0.273 0.000 2.254 112 R HA 0.284 4.623 4.340 -0.001 0.000 0.195 112 R C 0.621 176.986 176.300 0.108 0.000 0.957 112 R CA 0.312 56.528 56.100 0.194 0.000 1.024 112 R CB 0.402 30.822 30.300 0.200 0.000 0.952 112 R HN 0.934 nan 8.270 nan 0.000 0.484 113 G N -0.332 108.531 108.800 0.104 0.000 2.340 113 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.282 113 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.282 113 G C -2.389 172.548 174.900 0.063 0.000 1.312 113 G CA -1.035 44.098 45.100 0.055 0.000 0.942 113 G HN -0.238 nan 8.290 nan 0.000 0.495 114 P HA 0.050 nan 4.420 nan 0.000 0.218 114 P C 1.585 178.914 177.300 0.049 0.000 1.146 114 P CA 0.999 64.120 63.100 0.034 0.000 0.813 114 P CB 0.052 31.765 31.700 0.021 0.000 0.778 115 L N -3.010 118.245 121.223 0.053 0.000 2.667 115 L HA 0.145 4.484 4.340 -0.001 0.000 0.232 115 L C 0.789 177.689 176.870 0.050 0.000 1.138 115 L CA -0.470 54.394 54.840 0.040 0.000 0.921 115 L CB -0.904 41.163 42.059 0.015 0.000 1.180 115 L HN 0.021 nan 8.230 nan 0.000 0.487 116 H N 0.925 119.990 119.070 -0.008 0.000 3.184 116 H HA 0.166 4.721 4.556 -0.001 0.000 0.274 116 H C 1.308 176.629 175.328 -0.011 0.000 0.962 116 H CA 1.128 57.169 56.048 -0.011 0.000 1.441 116 H CB 0.255 30.010 29.762 -0.011 0.000 1.518 116 H HN 0.347 nan 8.280 nan 0.000 0.539 117 G N 4.724 113.448 108.800 -0.126 0.000 2.179 117 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 117 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 117 G C 0.052 174.948 174.900 -0.007 0.000 0.977 117 G CA 0.074 45.151 45.100 -0.037 0.000 0.641 117 G HN 0.552 nan 8.290 nan 0.000 0.533 118 I N 1.902 122.470 120.570 -0.003 0.000 2.396 118 I HA 0.290 4.460 4.170 -0.001 0.000 0.289 118 I C -2.059 174.058 176.117 -0.000 0.000 1.056 118 I CA -2.718 58.592 61.300 0.016 0.000 1.365 118 I CB 0.777 38.789 38.000 0.020 0.000 1.407 118 I HN -0.118 nan 8.210 nan 0.000 0.509 119 P HA 0.383 nan 4.420 nan 0.000 0.281 119 P C -0.962 176.273 177.300 -0.108 0.000 1.252 119 P CA -0.322 62.767 63.100 -0.020 0.000 0.778 119 P CB 1.093 32.835 31.700 0.070 0.000 0.895 120 L N 1.283 122.444 121.223 -0.104 0.000 2.403 120 L HA 0.714 5.053 4.340 -0.001 0.000 0.253 120 L C -1.386 175.419 176.870 -0.109 0.000 1.045 120 L CA -0.934 53.836 54.840 -0.117 0.000 0.845 120 L CB 0.845 42.859 42.059 -0.075 0.000 1.447 120 L HN 0.084 nan 8.230 nan 0.000 0.411 121 L N 1.116 122.278 121.223 -0.102 0.000 2.341 121 L HA 0.708 5.047 4.340 -0.001 0.000 0.267 121 L C -1.050 175.782 176.870 -0.063 0.000 1.009 121 L CA -0.637 54.152 54.840 -0.084 0.000 0.819 121 L CB 2.132 44.136 42.059 -0.092 0.000 1.323 121 L HN 0.528 nan 8.230 nan 0.000 0.425 122 L N 1.950 123.139 121.223 -0.057 0.000 2.362 122 L HA 0.467 4.806 4.340 -0.001 0.000 0.275 122 L C -0.162 176.679 176.870 -0.047 0.000 0.998 122 L CA -0.727 54.084 54.840 -0.047 0.000 0.820 122 L CB 1.967 43.999 42.059 -0.045 0.000 1.270 122 L HN 0.507 nan 8.230 nan 0.000 0.415 123 K N 1.089 121.465 120.400 -0.040 0.000 2.485 123 K HA -0.102 4.217 4.320 -0.001 0.000 0.277 123 K C 0.402 176.971 176.600 -0.052 0.000 0.990 123 K CA 0.019 56.280 56.287 -0.042 0.000 0.994 123 K CB 0.597 33.078 32.500 -0.031 0.000 0.906 123 K HN 0.549 nan 8.250 nan 0.000 0.488 124 D N 2.021 122.380 120.400 -0.068 0.000 2.355 124 D HA -0.061 4.579 4.640 -0.001 0.000 0.253 124 D C 0.268 176.514 176.300 -0.090 0.000 1.187 124 D CA 0.391 54.342 54.000 -0.083 0.000 0.900 124 D CB -0.068 40.669 40.800 -0.105 0.000 0.915 124 D HN 0.550 nan 8.370 nan 0.000 0.516 125 N N -0.301 118.357 118.700 -0.071 0.000 2.184 125 N HA 0.051 4.791 4.740 -0.001 0.000 0.206 125 N C -0.074 175.410 175.510 -0.043 0.000 1.151 125 N CA -0.179 52.826 53.050 -0.074 0.000 0.878 125 N CB 0.062 38.510 38.487 -0.066 0.000 1.014 125 N HN 0.146 nan 8.380 nan 0.000 0.512 126 I N 1.450 122.003 120.570 -0.029 0.000 2.321 126 I HA 0.185 4.355 4.170 -0.001 0.000 0.291 126 I C -0.450 175.654 176.117 -0.021 0.000 0.998 126 I CA -0.867 60.427 61.300 -0.009 0.000 1.227 126 I CB 0.756 38.750 38.000 -0.010 0.000 1.368 126 I HN -0.158 nan 8.210 nan 0.000 0.466 127 N N 5.565 124.258 118.700 -0.013 0.000 2.454 127 N HA 0.371 5.111 4.740 -0.001 0.000 0.260 127 N C -0.419 175.050 175.510 -0.068 0.000 1.218 127 N CA 0.097 53.106 53.050 -0.067 0.000 0.904 127 N CB 1.064 39.480 38.487 -0.118 0.000 1.065 127 N HN 0.739 nan 8.380 nan 0.000 0.462 128 A N 0.873 123.638 122.820 -0.091 0.000 2.541 128 A HA 0.637 4.956 4.320 -0.001 0.000 0.285 128 A C -0.340 177.191 177.584 -0.088 0.000 1.058 128 A CA -0.777 51.214 52.037 -0.076 0.000 0.886 128 A CB 0.292 19.254 19.000 -0.063 0.000 1.411 128 A HN 0.686 nan 8.150 nan 0.000 0.403 129 A N 3.671 126.441 122.820 -0.084 0.000 2.386 129 A HA 0.711 5.030 4.320 -0.001 0.000 0.248 129 A C -1.431 176.115 177.584 -0.064 0.000 1.082 129 A CA -0.974 51.014 52.037 -0.081 0.000 0.789 129 A CB 0.010 18.968 19.000 -0.071 0.000 1.025 129 A HN 0.585 nan 8.150 nan 0.000 0.490 130 P HA 0.162 nan 4.420 nan 0.000 0.259 130 P C -0.161 177.097 177.300 -0.069 0.000 1.530 130 P CA 0.174 63.236 63.100 -0.063 0.000 1.022 130 P CB 0.015 31.688 31.700 -0.046 0.000 1.514 131 M N 0.185 119.740 119.600 -0.075 0.000 2.227 131 M HA 0.483 4.962 4.480 -0.001 0.000 0.316 131 M C 0.820 177.060 176.300 -0.099 0.000 1.144 131 M CA -0.684 54.571 55.300 -0.075 0.000 1.121 131 M CB 0.912 33.471 32.600 -0.068 0.000 1.440 131 M HN -0.116 nan 8.290 nan 0.000 0.473 132 A N 0.605 123.375 122.820 -0.083 0.000 2.313 132 A HA 0.554 4.873 4.320 -0.001 0.000 0.261 132 A C -0.335 177.196 177.584 -0.087 0.000 1.090 132 A CA -0.340 51.643 52.037 -0.089 0.000 0.807 132 A CB 0.267 19.244 19.000 -0.039 0.000 1.055 132 A HN 0.755 nan 8.150 nan 0.000 0.492 133 T N 1.146 115.658 114.554 -0.070 0.000 2.991 133 T HA 0.382 4.731 4.350 -0.001 0.000 0.347 133 T C 0.824 175.576 174.700 0.086 0.000 1.122 133 T CA 0.209 62.299 62.100 -0.017 0.000 1.062 133 T CB 0.783 69.639 68.868 -0.019 0.000 1.043 133 T HN 0.850 nan 8.240 nan 0.000 0.491 134 S N 1.419 117.097 115.700 -0.036 0.000 2.512 134 S HA 0.451 4.920 4.470 -0.001 0.000 0.216 134 S C 1.691 176.071 174.600 -0.366 0.000 1.006 134 S CA 0.265 58.393 58.200 -0.119 0.000 0.915 134 S CB -0.008 63.108 63.200 -0.139 0.000 0.824 134 S HN 1.246 nan 8.310 nan 0.000 0.497 135 A N 0.672 123.289 122.820 -0.338 0.000 2.847 135 A HA 0.081 4.400 4.320 -0.001 0.000 0.263 135 A C 1.798 179.046 177.584 -0.560 0.000 1.391 135 A CA 1.106 52.853 52.037 -0.483 0.000 0.866 135 A CB -2.365 16.151 19.000 -0.807 0.000 1.057 135 A HN 2.236 nan 8.150 nan 0.000 0.673 136 G N -2.423 106.136 108.800 -0.402 0.000 2.179 136 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.260 136 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.260 136 G C 0.554 175.221 174.900 -0.389 0.000 0.977 136 G CA 1.365 46.247 45.100 -0.365 0.000 0.641 136 G HN 2.341 nan 8.290 nan 0.000 0.533 137 S N -0.608 114.813 115.700 -0.465 0.000 2.585 137 S HA 0.634 5.103 4.470 -0.001 0.000 0.277 137 S C 1.721 176.227 174.600 -0.157 0.000 1.241 137 S CA -0.382 57.648 58.200 -0.283 0.000 1.041 137 S CB 0.943 63.971 63.200 -0.286 0.000 0.987 137 S HN 0.366 nan 8.310 nan 0.000 0.512 138 L N 3.589 124.793 121.223 -0.032 0.000 2.376 138 L HA 0.043 4.383 4.340 -0.001 0.000 0.219 138 L C 2.658 179.423 176.870 -0.174 0.000 1.133 138 L CA 0.953 55.798 54.840 0.008 0.000 0.816 138 L CB -0.677 41.496 42.059 0.190 0.000 0.933 138 L HN 0.854 nan 8.230 nan 0.000 0.449 139 A N 0.128 122.616 122.820 -0.552 0.000 2.019 139 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 139 A C 1.826 179.142 177.584 -0.447 0.000 1.164 139 A CA 1.206 52.583 52.037 -1.101 0.000 0.644 139 A CB -0.303 18.043 19.000 -1.090 0.000 0.805 139 A HN 0.440 nan 8.150 nan 0.000 0.449 140 L N -0.796 120.301 121.223 -0.210 0.000 3.017 140 L HA 0.140 4.479 4.340 -0.001 0.000 0.255 140 L C 1.637 178.521 176.870 0.023 0.000 1.247 140 L CA -0.152 54.663 54.840 -0.042 0.000 1.038 140 L CB 0.041 42.140 42.059 0.067 0.000 1.380 140 L HN 0.391 nan 8.230 nan 0.000 0.548 141 Q N 0.865 120.647 119.800 -0.031 0.000 2.181 141 Q HA -0.130 4.210 4.340 -0.001 0.000 0.205 141 Q C 1.785 177.799 176.000 0.024 0.000 0.980 141 Q CA 1.625 57.422 55.803 -0.009 0.000 0.862 141 Q CB 0.039 28.772 28.738 -0.008 0.000 0.905 141 Q HN 0.632 nan 8.270 nan 0.000 0.429 142 G N -0.759 108.073 108.800 0.052 0.000 3.502 142 G HA2 0.079 4.038 3.960 -0.001 0.000 0.267 142 G HA3 0.079 4.038 3.960 -0.001 0.000 0.267 142 G C -0.535 174.443 174.900 0.129 0.000 1.090 142 G CA -0.453 44.686 45.100 0.064 0.000 0.795 142 G HN 0.106 nan 8.290 nan 0.000 0.535 143 F N 2.252 122.188 119.950 -0.024 0.000 2.404 143 F HA 0.559 5.085 4.527 -0.001 0.000 0.358 143 F C 0.390 176.191 175.800 0.002 0.000 1.120 143 F CA -1.785 56.214 58.000 -0.003 0.000 1.144 143 F CB 0.665 39.675 39.000 0.016 0.000 1.133 143 F HN -0.081 nan 8.300 nan 0.000 0.495 144 R N 7.376 127.651 120.500 -0.375 0.000 2.564 144 R HA 0.286 4.625 4.340 -0.001 0.000 0.282 144 R C -2.540 173.480 176.300 -0.467 0.000 1.573 144 R CA -1.597 54.273 56.100 -0.384 0.000 1.588 144 R CB 0.397 30.598 30.300 -0.165 0.000 1.154 144 R HN 0.446 nan 8.270 nan 0.000 0.606 145 P HA 0.076 nan 4.420 nan 0.000 0.274 145 P C -0.572 176.584 177.300 -0.240 0.000 1.256 145 P CA -0.276 62.538 63.100 -0.476 0.000 0.795 145 P CB 0.926 32.255 31.700 -0.618 0.000 1.038 146 D N 0.137 120.468 120.400 -0.115 0.000 2.360 146 D HA 0.073 4.712 4.640 -0.001 0.000 0.242 146 D C -0.090 176.178 176.300 -0.055 0.000 1.184 146 D CA 0.162 54.126 54.000 -0.060 0.000 0.930 146 D CB 0.242 41.040 40.800 -0.003 0.000 1.161 146 D HN 0.314 nan 8.370 nan 0.000 0.447 147 D N 0.061 120.440 120.400 -0.036 0.000 2.525 147 D HA 0.191 4.830 4.640 -0.001 0.000 0.235 147 D C 0.173 176.481 176.300 0.014 0.000 1.137 147 D CA 0.249 54.233 54.000 -0.026 0.000 0.868 147 D CB 0.369 41.151 40.800 -0.030 0.000 1.180 147 D HN 0.301 nan 8.370 nan 0.000 0.465 148 A N 2.504 125.335 122.820 0.018 0.000 2.366 148 A HA 0.067 4.386 4.320 -0.001 0.000 0.249 148 A C 0.937 178.582 177.584 0.101 0.000 1.084 148 A CA -0.367 51.718 52.037 0.080 0.000 0.794 148 A CB 0.056 19.100 19.000 0.073 0.000 1.034 148 A HN 0.682 nan 8.150 nan 0.000 0.491 149 Y N 1.619 121.947 120.300 0.047 0.000 2.114 149 Y HA -0.265 4.285 4.550 -0.001 0.000 0.282 149 Y C 1.939 177.858 175.900 0.032 0.000 1.165 149 Y CA 2.818 60.943 58.100 0.041 0.000 1.148 149 Y CB -0.388 38.102 38.460 0.050 0.000 0.972 149 Y HN 0.628 nan 8.280 nan 0.000 0.504 150 L N -1.847 119.409 121.223 0.055 0.000 2.131 150 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 150 L C 1.955 178.775 176.870 -0.084 0.000 1.092 150 L CA 1.572 56.395 54.840 -0.028 0.000 0.759 150 L CB -1.587 40.510 42.059 0.062 0.000 0.903 150 L HN 0.031 nan 8.230 nan 0.000 0.435 151 V N 0.154 120.032 119.914 -0.059 0.000 2.453 151 V HA -0.130 3.989 4.120 -0.001 0.000 0.247 151 V C 2.885 178.920 176.094 -0.100 0.000 1.048 151 V CA 1.740 64.001 62.300 -0.065 0.000 1.049 151 V CB -0.709 31.088 31.823 -0.043 0.000 0.672 151 V HN 0.476 nan 8.190 nan 0.000 0.457 152 R N -0.020 120.398 120.500 -0.136 0.000 2.096 152 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 152 R C 2.508 178.690 176.300 -0.197 0.000 1.127 152 R CA 1.296 57.302 56.100 -0.157 0.000 0.968 152 R CB -0.350 29.847 30.300 -0.172 0.000 0.861 152 R HN 0.483 nan 8.270 nan 0.000 0.440 153 R N 0.539 120.868 120.500 -0.285 0.000 2.092 153 R HA -0.043 4.296 4.340 -0.001 0.000 0.231 153 R C 2.373 178.601 176.300 -0.119 0.000 1.119 153 R CA 1.015 56.978 56.100 -0.228 0.000 0.970 153 R CB -0.284 29.860 30.300 -0.260 0.000 0.864 153 R HN 0.202 nan 8.270 nan 0.000 0.440 154 L N -0.001 121.162 121.223 -0.100 0.000 2.093 154 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 154 L C 2.543 179.371 176.870 -0.071 0.000 1.085 154 L CA 1.322 56.122 54.840 -0.067 0.000 0.755 154 L CB -0.271 41.754 42.059 -0.057 0.000 0.904 154 L HN 0.128 nan 8.230 nan 0.000 0.435 155 R N -0.243 120.209 120.500 -0.080 0.000 2.092 155 R HA -0.127 4.212 4.340 -0.001 0.000 0.231 155 R C 1.777 178.031 176.300 -0.077 0.000 1.119 155 R CA 1.198 57.251 56.100 -0.079 0.000 0.970 155 R CB -0.191 30.065 30.300 -0.074 0.000 0.864 155 R HN 0.337 nan 8.270 nan 0.000 0.440 156 D N 0.420 120.776 120.400 -0.073 0.000 2.219 156 D HA -0.078 4.561 4.640 -0.001 0.000 0.205 156 D C 1.442 177.718 176.300 -0.040 0.000 0.970 156 D CA 1.056 55.023 54.000 -0.056 0.000 0.851 156 D CB 0.028 40.792 40.800 -0.059 0.000 0.943 156 D HN 0.225 nan 8.370 nan 0.000 0.488 157 A N -0.207 122.587 122.820 -0.043 0.000 2.206 157 A HA 0.349 4.668 4.320 -0.001 0.000 0.211 157 A C 1.791 179.355 177.584 -0.033 0.000 1.158 157 A CA 1.206 53.232 52.037 -0.019 0.000 0.761 157 A CB -0.140 18.851 19.000 -0.015 0.000 0.801 157 A HN 0.258 nan 8.150 nan 0.000 0.473 158 G N -2.219 106.525 108.800 -0.093 0.000 2.157 158 G HA2 0.113 4.072 3.960 -0.001 0.000 0.239 158 G HA3 0.113 4.072 3.960 -0.001 0.000 0.239 158 G C 0.430 175.212 174.900 -0.197 0.000 0.982 158 G CA 0.250 45.218 45.100 -0.220 0.000 0.650 158 G HN 1.533 nan 8.290 nan 0.000 0.527 159 A N -0.464 122.291 122.820 -0.109 0.000 2.386 159 A HA 0.679 4.998 4.320 -0.001 0.000 0.248 159 A C 0.501 178.032 177.584 -0.087 0.000 1.082 159 A CA 0.442 52.429 52.037 -0.082 0.000 0.789 159 A CB 0.971 19.937 19.000 -0.056 0.000 1.025 159 A HN 1.169 nan 8.150 nan 0.000 0.490 160 V N 2.588 122.461 119.914 -0.068 0.000 2.370 160 V HA 0.270 4.390 4.120 -0.001 0.000 0.283 160 V C -0.092 175.971 176.094 -0.051 0.000 1.023 160 V CA -0.515 61.751 62.300 -0.058 0.000 0.857 160 V CB 1.426 33.225 31.823 -0.040 0.000 0.985 160 V HN 0.589 nan 8.190 nan 0.000 0.443 161 V N 6.919 126.802 119.914 -0.052 0.000 2.389 161 V HA 0.193 4.312 4.120 -0.001 0.000 0.264 161 V C 1.112 177.179 176.094 -0.046 0.000 1.049 161 V CA 0.030 62.298 62.300 -0.052 0.000 0.932 161 V CB 1.009 32.800 31.823 -0.053 0.000 1.011 161 V HN 0.765 nan 8.190 nan 0.000 0.475 162 L N 4.099 125.291 121.223 -0.051 0.000 2.109 162 L HA 0.304 4.644 4.340 -0.001 0.000 0.207 162 L C 1.262 178.107 176.870 -0.042 0.000 1.086 162 L CA 1.430 56.246 54.840 -0.040 0.000 0.760 162 L CB -0.130 41.895 42.059 -0.056 0.000 0.910 162 L HN 0.878 nan 8.230 nan 0.000 0.437 163 G N -1.273 107.495 108.800 -0.053 0.000 2.344 163 G HA2 0.152 4.111 3.960 -0.001 0.000 0.282 163 G HA3 0.152 4.111 3.960 -0.001 0.000 0.282 163 G C -1.742 173.124 174.900 -0.058 0.000 1.281 163 G CA -0.787 44.282 45.100 -0.052 0.000 0.877 163 G HN -0.249 nan 8.290 nan 0.000 0.494 164 K N 0.784 121.148 120.400 -0.059 0.000 2.203 164 K HA 0.713 5.032 4.320 -0.001 0.000 0.251 164 K C -0.116 176.446 176.600 -0.063 0.000 0.944 164 K CA -0.474 55.775 56.287 -0.062 0.000 0.829 164 K CB 1.657 34.117 32.500 -0.066 0.000 1.125 164 K HN 0.923 nan 8.250 nan 0.000 0.430 165 T N -1.144 113.373 114.554 -0.062 0.000 2.929 165 T HA 0.282 4.631 4.350 -0.001 0.000 0.284 165 T C 0.365 175.026 174.700 -0.065 0.000 1.014 165 T CA -0.815 61.249 62.100 -0.059 0.000 1.051 165 T CB 1.297 70.136 68.868 -0.049 0.000 1.028 165 T HN 0.394 nan 8.240 nan 0.000 0.485 166 N N 0.819 119.480 118.700 -0.065 0.000 2.371 166 N HA 0.509 5.248 4.740 -0.001 0.000 0.243 166 N C -0.499 174.975 175.510 -0.060 0.000 1.287 166 N CA -0.559 52.443 53.050 -0.079 0.000 0.911 166 N CB -0.022 38.418 38.487 -0.078 0.000 1.142 166 N HN 0.865 nan 8.380 nan 0.000 0.451 167 L N -2.497 118.683 121.223 -0.071 0.000 2.671 167 L HA 0.600 4.939 4.340 -0.001 0.000 0.259 167 L C -0.806 176.055 176.870 -0.014 0.000 1.021 167 L CA -1.122 53.699 54.840 -0.032 0.000 0.871 167 L CB 1.274 43.309 42.059 -0.040 0.000 1.472 167 L HN 0.238 nan 8.230 nan 0.000 0.410 168 S N 0.809 116.542 115.700 0.056 0.000 2.537 168 S HA 0.047 4.516 4.470 -0.001 0.000 0.286 168 S C 0.021 174.686 174.600 0.107 0.000 1.299 168 S CA -0.088 58.194 58.200 0.137 0.000 1.067 168 S CB 0.267 63.565 63.200 0.164 0.000 0.864 168 S HN 0.676 nan 8.310 nan 0.000 0.494 169 E N 1.299 121.580 120.200 0.135 0.000 2.529 169 E HA -0.110 4.239 4.350 -0.001 0.000 0.259 169 E C -0.512 176.197 176.600 0.182 0.000 0.966 169 E CA 0.205 56.619 56.400 0.022 0.000 0.937 169 E CB 0.151 29.910 29.700 0.098 0.000 0.923 169 E HN 0.721 nan 8.360 nan 0.000 0.468 170 W N 2.049 123.432 121.300 0.140 0.000 4.849 170 W HA -0.345 4.314 4.660 -0.001 0.000 0.358 170 W C 0.839 177.457 176.519 0.166 0.000 1.331 170 W CA 0.287 57.739 57.345 0.178 0.000 0.844 170 W CB -2.122 27.488 29.460 0.250 0.000 2.434 170 W HN 0.817 nan 8.180 nan 0.000 1.458 171 A N -0.289 122.659 122.820 0.213 0.000 2.822 171 A HA -0.322 3.998 4.320 -0.001 0.000 0.287 171 A C 1.176 178.884 177.584 0.207 0.000 1.479 171 A CA 2.131 54.270 52.037 0.169 0.000 0.779 171 A CB -1.727 17.362 19.000 0.149 0.000 1.022 171 A HN 1.446 nan 8.150 nan 0.000 0.532 172 N N -3.797 115.044 118.700 0.235 0.000 2.800 172 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 172 N C -0.265 175.356 175.510 0.184 0.000 1.078 172 N CA 1.840 55.011 53.050 0.201 0.000 0.804 172 N CB -1.800 36.761 38.487 0.124 0.000 1.135 172 N HN 1.210 nan 8.380 nan 0.000 0.565 173 F N 0.363 120.340 119.950 0.044 0.000 2.883 173 F HA 0.444 4.970 4.527 -0.001 0.000 0.312 173 F C 1.438 177.130 175.800 -0.179 0.000 1.246 173 F CA -0.378 57.519 58.000 -0.172 0.000 1.238 173 F CB 0.078 38.821 39.000 -0.428 0.000 1.195 173 F HN 0.100 nan 8.300 nan 0.000 0.526 174 R N -0.500 120.004 120.500 0.006 0.000 2.197 174 R HA 0.427 4.767 4.340 -0.001 0.000 0.188 174 R C 0.652 176.978 176.300 0.043 0.000 1.015 174 R CA 0.621 56.775 56.100 0.091 0.000 1.132 174 R CB 0.430 30.971 30.300 0.402 0.000 1.134 174 R HN 0.477 nan 8.270 nan 0.000 0.560 175 G N 0.063 108.947 108.800 0.140 0.000 2.725 175 G HA2 0.332 4.291 3.960 -0.001 0.000 0.288 175 G HA3 0.332 4.291 3.960 -0.001 0.000 0.288 175 G C -1.538 173.357 174.900 -0.008 0.000 1.399 175 G CA -0.751 44.422 45.100 0.122 0.000 0.859 175 G HN 0.083 nan 8.290 nan 0.000 0.479 176 N N 0.920 119.610 118.700 -0.016 0.000 2.513 176 N HA 0.249 4.989 4.740 -0.001 0.000 0.274 176 N C -0.496 174.949 175.510 -0.107 0.000 1.189 176 N CA -0.123 52.878 53.050 -0.082 0.000 0.975 176 N CB 0.780 39.231 38.487 -0.060 0.000 1.157 176 N HN 0.537 nan 8.380 nan 0.000 0.465 177 D N -0.952 119.354 120.400 -0.157 0.000 2.708 177 D HA -0.150 4.489 4.640 -0.001 0.000 0.236 177 D C -0.193 175.885 176.300 -0.370 0.000 1.146 177 D CA 0.679 54.569 54.000 -0.184 0.000 0.662 177 D CB -1.465 39.278 40.800 -0.095 0.000 1.059 177 D HN 0.573 nan 8.370 nan 0.000 0.428 178 S N -0.856 114.494 115.700 -0.582 0.000 2.600 178 S HA 0.509 4.978 4.470 -0.001 0.000 0.265 178 S C 0.581 174.787 174.600 -0.656 0.000 1.325 178 S CA -0.689 56.758 58.200 -1.256 0.000 1.002 178 S CB 1.661 64.290 63.200 -0.953 0.000 0.921 178 S HN 0.269 nan 8.310 nan 0.000 0.554 179 I N 1.811 122.029 120.570 -0.587 0.000 2.330 179 I HA 0.212 4.381 4.170 -0.001 0.000 0.289 179 I C 0.194 176.392 176.117 0.135 0.000 1.001 179 I CA -0.400 60.870 61.300 -0.050 0.000 1.193 179 I CB 1.548 39.593 38.000 0.074 0.000 1.345 179 I HN 0.582 nan 8.210 nan 0.000 0.461 180 S N 4.085 119.900 115.700 0.191 0.000 2.560 180 S HA 0.273 4.742 4.470 -0.001 0.000 0.284 180 S C 1.156 175.879 174.600 0.205 0.000 1.327 180 S CA 0.754 59.081 58.200 0.212 0.000 1.055 180 S CB 0.898 64.263 63.200 0.276 0.000 0.868 180 S HN 1.099 nan 8.310 nan 0.000 0.506 181 G N 1.745 110.653 108.800 0.179 0.000 2.179 181 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.260 181 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.260 181 G C -0.275 174.738 174.900 0.189 0.000 0.977 181 G CA 0.162 45.347 45.100 0.141 0.000 0.641 181 G HN 0.707 nan 8.290 nan 0.000 0.533 182 W N 1.954 123.322 121.300 0.114 0.000 2.520 182 W HA 0.684 5.344 4.660 -0.000 0.000 0.323 182 W C 0.381 176.987 176.519 0.146 0.000 1.062 182 W CA -0.062 57.367 57.345 0.140 0.000 1.215 182 W CB 1.662 31.251 29.460 0.215 0.000 1.340 182 W HN 0.720 nan 8.180 nan 0.000 0.516 183 S N 3.437 118.412 115.700 -1.209 0.000 2.556 183 S HA 0.676 5.145 4.470 -0.001 0.000 0.271 183 S C 0.142 173.708 174.600 -1.722 0.000 1.135 183 S CA -0.347 57.113 58.200 -1.233 0.000 0.858 183 S CB 1.448 64.322 63.200 -0.543 0.000 1.114 183 S HN 1.009 nan 8.310 nan 0.000 0.468 184 A N 1.545 123.643 122.820 -1.204 0.000 1.930 184 A HA 0.009 4.328 4.320 -0.001 0.000 0.217 184 A C 2.118 179.519 177.584 -0.304 0.000 1.175 184 A CA 1.544 53.255 52.037 -0.543 0.000 0.627 184 A CB -0.667 18.273 19.000 -0.100 0.000 0.815 184 A HN 0.900 nan 8.150 nan 0.000 0.443 185 R N -1.005 119.316 120.500 -0.299 0.000 2.100 185 R HA 0.004 4.344 4.340 -0.001 0.000 0.220 185 R C 1.891 178.079 176.300 -0.187 0.000 1.091 185 R CA 1.203 57.191 56.100 -0.186 0.000 0.986 185 R CB -0.303 29.898 30.300 -0.164 0.000 0.888 185 R HN 0.427 nan 8.270 nan 0.000 0.444 186 G N -0.904 107.739 108.800 -0.262 0.000 3.020 186 G HA2 0.361 4.320 3.960 -0.001 0.000 0.217 186 G HA3 0.361 4.320 3.960 -0.001 0.000 0.217 186 G C 0.475 175.263 174.900 -0.186 0.000 1.144 186 G CA 0.261 45.243 45.100 -0.196 0.000 0.760 186 G HN 0.661 nan 8.290 nan 0.000 0.548 187 G N 0.000 108.626 108.800 -0.291 0.000 2.553 187 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.242 187 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.242 187 G C -0.257 174.582 174.900 -0.102 0.000 1.277 187 G CA 0.137 45.143 45.100 -0.157 0.000 0.910 187 G HN 0.756 nan 8.290 nan 0.000 0.576 188 Q N 0.507 120.381 119.800 0.124 0.000 2.368 188 Q HA 0.632 4.972 4.340 -0.001 0.000 0.256 188 Q C 0.340 176.399 176.000 0.098 0.000 0.980 188 Q CA 0.190 56.109 55.803 0.193 0.000 0.887 188 Q CB 0.725 29.626 28.738 0.273 0.000 1.221 188 Q HN 0.709 nan 8.270 nan 0.000 0.458 189 T N 4.533 119.130 114.554 0.072 0.000 2.907 189 T HA 0.433 4.782 4.350 -0.001 0.000 0.298 189 T C -0.188 174.546 174.700 0.056 0.000 1.017 189 T CA -0.225 61.901 62.100 0.044 0.000 1.118 189 T CB 0.450 69.334 68.868 0.026 0.000 0.948 189 T HN 0.502 nan 8.240 nan 0.000 0.531 190 R N 2.116 122.646 120.500 0.051 0.000 2.778 190 R HA 0.371 4.711 4.340 -0.001 0.000 0.277 190 R C -0.081 176.256 176.300 0.061 0.000 0.977 190 R CA -1.019 55.115 56.100 0.057 0.000 0.950 190 R CB 0.998 31.340 30.300 0.070 0.000 1.165 190 R HN 0.470 nan 8.270 nan 0.000 0.474 191 N N 3.399 122.134 118.700 0.059 0.000 2.475 191 N HA 0.034 4.773 4.740 -0.001 0.000 0.267 191 N C -1.655 173.920 175.510 0.108 0.000 1.169 191 N CA -1.487 51.615 53.050 0.085 0.000 0.947 191 N CB 1.108 39.636 38.487 0.069 0.000 1.061 191 N HN 0.358 nan 8.380 nan 0.000 0.466 192 P HA -0.106 nan 4.420 nan 0.000 0.226 192 P C 0.570 177.731 177.300 -0.232 0.000 1.153 192 P CA 1.144 64.256 63.100 0.021 0.000 0.777 192 P CB 0.050 31.763 31.700 0.022 0.000 0.794 193 Y N -0.041 120.208 120.300 -0.086 0.000 2.457 193 Y HA 0.114 4.663 4.550 -0.001 0.000 0.292 193 Y C 1.592 177.426 175.900 -0.110 0.000 1.125 193 Y CA 0.678 58.704 58.100 -0.124 0.000 1.254 193 Y CB 0.257 38.656 38.460 -0.101 0.000 1.012 193 Y HN -0.139 nan 8.280 nan 0.000 0.555 194 R N 0.389 120.915 120.500 0.044 0.000 3.090 194 R HA 0.142 4.482 4.340 -0.001 0.000 0.279 194 R C 0.023 176.362 176.300 0.064 0.000 1.462 194 R CA -0.150 55.945 56.100 -0.009 0.000 1.044 194 R CB 0.100 30.288 30.300 -0.187 0.000 1.365 194 R HN 0.203 nan 8.270 nan 0.000 0.399 195 I N 0.679 121.299 120.570 0.084 0.000 2.800 195 I HA -0.118 4.052 4.170 -0.001 0.000 0.266 195 I C 1.453 177.643 176.117 0.121 0.000 1.249 195 I CA 1.614 62.976 61.300 0.104 0.000 1.458 195 I CB -0.127 37.934 38.000 0.101 0.000 1.093 195 I HN 0.429 nan 8.210 nan 0.000 0.466 196 S N -1.573 114.232 115.700 0.174 0.000 2.528 196 S HA 0.092 4.561 4.470 -0.001 0.000 0.219 196 S C 0.621 175.336 174.600 0.193 0.000 0.985 196 S CA -0.096 58.219 58.200 0.192 0.000 0.914 196 S CB -0.712 62.630 63.200 0.235 0.000 0.776 196 S HN 0.559 nan 8.310 nan 0.000 0.526 197 H N 1.486 120.547 119.070 -0.014 0.000 2.544 197 H HA 0.648 5.203 4.556 -0.001 0.000 0.342 197 H C -0.008 175.212 175.328 -0.179 0.000 1.185 197 H CA -0.826 55.169 56.048 -0.089 0.000 1.264 197 H CB 1.156 30.871 29.762 -0.078 0.000 1.607 197 H HN 0.155 nan 8.280 nan 0.000 0.550 198 S N 1.903 117.397 115.700 -0.343 0.000 2.564 198 S HA 0.087 4.557 4.470 -0.001 0.000 0.278 198 S C -1.650 172.728 174.600 -0.369 0.000 1.333 198 S CA -1.158 56.746 58.200 -0.492 0.000 1.048 198 S CB 0.369 62.853 63.200 -1.194 0.000 0.900 198 S HN 0.575 nan 8.310 nan 0.000 0.505 199 P HA 0.170 nan 4.420 nan 0.000 0.261 199 P C 0.821 178.063 177.300 -0.096 0.000 1.268 199 P CA 0.003 63.047 63.100 -0.092 0.000 0.833 199 P CB -0.823 30.869 31.700 -0.013 0.000 1.231 200 C N -1.430 117.766 119.300 -0.174 0.000 0.168 200 C HA 0.057 4.516 4.460 -0.001 0.000 0.017 200 C C 0.940 175.984 174.990 0.091 0.000 0.171 200 C CA 0.835 59.858 59.018 0.009 0.000 0.499 200 C CB -1.334 26.449 27.740 0.072 0.000 3.212 200 C HN 0.683 nan 8.230 nan 0.000 1.118 201 G N -1.517 107.360 108.800 0.129 0.000 2.333 201 G HA2 0.555 4.514 3.960 -0.001 0.000 0.288 201 G HA3 0.555 4.514 3.960 -0.001 0.000 0.288 201 G C 0.337 175.285 174.900 0.081 0.000 1.286 201 G CA 0.965 46.119 45.100 0.089 0.000 0.865 201 G HN 2.261 nan 8.290 nan 0.000 0.506 202 S N -1.118 114.618 115.700 0.061 0.000 2.439 202 S HA 0.109 4.578 4.470 -0.001 0.000 0.224 202 S C 1.573 176.194 174.600 0.036 0.000 1.029 202 S CA 1.514 59.751 58.200 0.063 0.000 0.946 202 S CB -0.004 63.239 63.200 0.071 0.000 0.797 202 S HN 0.879 nan 8.310 nan 0.000 0.504 203 S N 2.761 118.472 115.700 0.019 0.000 3.305 203 S HA 0.224 4.694 4.470 -0.001 0.000 0.248 203 S C 1.198 175.803 174.600 0.008 0.000 1.288 203 S CA -0.046 58.157 58.200 0.005 0.000 1.249 203 S CB -0.675 62.522 63.200 -0.005 0.000 1.116 203 S HN 0.538 nan 8.310 nan 0.000 0.465 204 S N 2.270 117.981 115.700 0.017 0.000 2.351 204 S HA -0.125 4.344 4.470 -0.001 0.000 0.220 204 S C 2.365 176.970 174.600 0.010 0.000 1.035 204 S CA 1.363 59.575 58.200 0.019 0.000 1.031 204 S CB -0.844 62.375 63.200 0.031 0.000 0.928 204 S HN 0.716 nan 8.310 nan 0.000 0.433 205 G N 1.046 109.844 108.800 -0.004 0.000 2.422 205 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.218 205 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.218 205 G C 1.564 176.456 174.900 -0.015 0.000 1.146 205 G CA 1.152 46.244 45.100 -0.013 0.000 0.769 205 G HN 0.507 nan 8.290 nan 0.000 0.547 206 S N 0.853 116.544 115.700 -0.016 0.000 2.368 206 S HA 0.019 4.488 4.470 -0.001 0.000 0.224 206 S C 2.801 177.399 174.600 -0.003 0.000 1.029 206 S CA 1.170 59.359 58.200 -0.018 0.000 0.988 206 S CB -0.338 62.850 63.200 -0.019 0.000 0.838 206 S HN 0.580 nan 8.310 nan 0.000 0.462 207 A N 1.020 123.845 122.820 0.009 0.000 1.873 207 A HA -0.031 4.289 4.320 -0.001 0.000 0.215 207 A C 2.329 179.941 177.584 0.047 0.000 1.186 207 A CA 1.443 53.497 52.037 0.028 0.000 0.616 207 A CB -0.881 18.136 19.000 0.029 0.000 0.823 207 A HN 0.339 nan 8.150 nan 0.000 0.442 208 V N -0.103 119.836 119.914 0.042 0.000 2.343 208 V HA -0.230 3.889 4.120 -0.001 0.000 0.247 208 V C 3.053 179.173 176.094 0.043 0.000 1.051 208 V CA 1.869 64.204 62.300 0.058 0.000 1.036 208 V CB -1.207 30.644 31.823 0.047 0.000 0.654 208 V HN 0.614 nan 8.190 nan 0.000 0.451 209 A N -0.266 122.560 122.820 0.009 0.000 1.902 209 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 209 A C 2.399 179.977 177.584 -0.011 0.000 1.181 209 A CA 2.138 54.163 52.037 -0.019 0.000 0.623 209 A CB -0.678 18.292 19.000 -0.051 0.000 0.818 209 A HN 0.333 nan 8.150 nan 0.000 0.443 210 V N -0.276 119.641 119.914 0.004 0.000 2.358 210 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 210 V C 3.045 179.179 176.094 0.067 0.000 1.047 210 V CA 1.895 64.209 62.300 0.023 0.000 1.035 210 V CB -1.124 30.715 31.823 0.026 0.000 0.658 210 V HN 0.614 nan 8.190 nan 0.000 0.452 211 A N -0.194 122.679 122.820 0.088 0.000 1.972 211 A HA 0.001 4.320 4.320 -0.001 0.000 0.219 211 A C 2.134 179.774 177.584 0.093 0.000 1.169 211 A CA 1.771 53.882 52.037 0.123 0.000 0.635 211 A CB -0.488 18.629 19.000 0.194 0.000 0.810 211 A HN 0.598 nan 8.150 nan 0.000 0.446 212 A N -1.069 121.811 122.820 0.100 0.000 2.307 212 A HA 0.260 4.579 4.320 -0.001 0.000 0.218 212 A C 0.633 178.261 177.584 0.072 0.000 1.228 212 A CA 0.197 52.328 52.037 0.156 0.000 0.857 212 A CB -0.466 18.636 19.000 0.170 0.000 0.897 212 A HN 0.492 nan 8.150 nan 0.000 0.495 213 N N -0.562 118.187 118.700 0.080 0.000 2.738 213 N HA -0.147 4.592 4.740 -0.001 0.000 0.249 213 N C 0.395 175.947 175.510 0.069 0.000 1.047 213 N CA 0.877 54.004 53.050 0.129 0.000 0.707 213 N CB -1.309 37.294 38.487 0.192 0.000 0.937 213 N HN 0.577 nan 8.380 nan 0.000 0.545 214 L N -1.441 119.763 121.223 -0.030 0.000 2.567 214 L HA 0.324 4.663 4.340 -0.001 0.000 0.225 214 L C 1.054 177.736 176.870 -0.314 0.000 1.119 214 L CA 0.616 55.413 54.840 -0.072 0.000 0.871 214 L CB 0.089 42.093 42.059 -0.091 0.000 1.036 214 L HN 0.371 nan 8.230 nan 0.000 0.459 215 A N -1.477 120.996 122.820 -0.578 0.000 2.586 215 A HA 0.392 4.711 4.320 -0.001 0.000 0.290 215 A C 0.489 177.661 177.584 -0.686 0.000 1.086 215 A CA 0.095 51.480 52.037 -1.087 0.000 0.665 215 A CB 0.971 19.674 19.000 -0.495 0.000 1.279 215 A HN -0.182 nan 8.150 nan 0.000 0.423 216 S N -1.200 114.196 115.700 -0.506 0.000 2.357 216 S HA 0.163 4.632 4.470 -0.001 0.000 0.221 216 S C 0.817 175.393 174.600 -0.040 0.000 1.031 216 S CA 2.107 60.270 58.200 -0.061 0.000 0.982 216 S CB -0.513 62.709 63.200 0.037 0.000 0.853 216 S HN 2.154 nan 8.310 nan 0.000 0.458 217 V N -2.848 117.018 119.914 -0.080 0.000 3.202 217 V HA 0.973 5.092 4.120 -0.001 0.000 0.306 217 V C -0.801 175.254 176.094 -0.065 0.000 1.283 217 V CA -0.647 61.627 62.300 -0.043 0.000 1.065 217 V CB 1.162 32.975 31.823 -0.016 0.000 1.079 217 V HN 0.444 nan 8.190 nan 0.000 0.448 218 A N 1.231 124.026 122.820 -0.041 0.000 2.594 218 A HA 0.940 5.259 4.320 -0.001 0.000 0.291 218 A C -1.523 176.044 177.584 -0.028 0.000 1.105 218 A CA -0.704 51.306 52.037 -0.044 0.000 0.694 218 A CB 1.866 20.840 19.000 -0.044 0.000 1.291 218 A HN 0.939 nan 8.150 nan 0.000 0.410 219 I N 1.114 121.667 120.570 -0.029 0.000 2.433 219 I HA 0.629 4.798 4.170 -0.001 0.000 0.292 219 I C 0.704 176.810 176.117 -0.019 0.000 1.001 219 I CA -0.143 61.145 61.300 -0.020 0.000 1.119 219 I CB 0.886 38.875 38.000 -0.017 0.000 1.289 219 I HN 0.856 nan 8.210 nan 0.000 0.438 220 G N 3.609 112.401 108.800 -0.014 0.000 3.013 220 G HA2 0.816 4.776 3.960 -0.001 0.000 0.278 220 G HA3 0.816 4.776 3.960 -0.001 0.000 0.278 220 G C -0.943 173.952 174.900 -0.009 0.000 1.353 220 G CA -0.429 44.663 45.100 -0.013 0.000 1.043 220 G HN 0.613 nan 8.290 nan 0.000 0.523 221 T N -2.688 111.861 114.554 -0.008 0.000 2.909 221 T HA 0.718 5.068 4.350 -0.001 0.000 0.299 221 T C -1.110 173.584 174.700 -0.011 0.000 1.073 221 T CA -0.702 61.396 62.100 -0.004 0.000 0.999 221 T CB 2.586 71.457 68.868 0.004 0.000 1.098 221 T HN 0.657 nan 8.240 nan 0.000 0.477 222 E N 0.287 120.478 120.200 -0.015 0.000 2.314 222 E HA 0.612 4.961 4.350 -0.001 0.000 0.272 222 E C -0.395 176.193 176.600 -0.020 0.000 0.884 222 E CA -0.774 55.609 56.400 -0.027 0.000 0.753 222 E CB 2.140 31.809 29.700 -0.052 0.000 1.213 222 E HN 0.720 nan 8.360 nan 0.000 0.432 223 T N 1.706 116.250 114.554 -0.017 0.000 3.075 223 T HA 0.133 4.482 4.350 -0.001 0.000 0.251 223 T C -0.598 174.099 174.700 -0.006 0.000 0.979 223 T CA -0.060 62.028 62.100 -0.021 0.000 1.033 223 T CB 0.312 69.163 68.868 -0.028 0.000 1.104 223 T HN 0.434 nan 8.240 nan 0.000 0.473 224 D N -0.277 120.135 120.400 0.020 0.000 2.634 224 D HA 0.377 5.016 4.640 -0.001 0.000 0.236 224 D C 0.725 177.074 176.300 0.081 0.000 1.323 224 D CA 0.695 54.745 54.000 0.083 0.000 0.884 224 D CB 0.297 41.170 40.800 0.122 0.000 1.496 224 D HN 0.393 nan 8.370 nan 0.000 0.525 225 G N 1.685 110.401 108.800 -0.140 0.000 2.195 225 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.246 225 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.246 225 G C 1.305 175.995 174.900 -0.349 0.000 0.984 225 G CA 0.501 45.204 45.100 -0.662 0.000 0.633 225 G HN 0.449 nan 8.290 nan 0.000 0.525 226 S N -0.303 115.313 115.700 -0.139 0.000 2.500 226 S HA 0.190 4.660 4.470 -0.001 0.000 0.239 226 S C 2.072 176.631 174.600 -0.068 0.000 0.989 226 S CA 1.192 59.353 58.200 -0.065 0.000 0.951 226 S CB -0.044 63.148 63.200 -0.014 0.000 0.759 226 S HN 0.584 nan 8.310 nan 0.000 0.523 227 I N 0.105 120.612 120.570 -0.106 0.000 3.136 227 I HA -0.015 4.154 4.170 -0.001 0.000 0.262 227 I C 2.180 178.245 176.117 -0.086 0.000 1.132 227 I CA 0.440 61.697 61.300 -0.072 0.000 1.450 227 I CB -0.175 37.792 38.000 -0.055 0.000 1.315 227 I HN 0.187 nan 8.210 nan 0.000 0.460 228 V N -1.651 118.173 119.914 -0.149 0.000 2.515 228 V HA -0.237 3.883 4.120 -0.001 0.000 0.250 228 V C 2.371 178.397 176.094 -0.112 0.000 1.058 228 V CA 1.440 63.667 62.300 -0.122 0.000 1.064 228 V CB -1.119 30.634 31.823 -0.117 0.000 0.675 228 V HN 0.572 nan 8.190 nan 0.000 0.461 229 C N 1.830 121.007 119.300 -0.205 0.000 2.462 229 C HA 0.104 4.563 4.460 -0.001 0.000 0.278 229 C C 0.934 175.944 174.990 0.034 0.000 1.253 229 C CA 1.732 60.735 59.018 -0.024 0.000 1.713 229 C CB -1.313 26.458 27.740 0.052 0.000 2.049 229 C HN 0.576 nan 8.230 nan 0.000 0.477 230 P HA -0.027 nan 4.420 nan 0.000 0.218 230 P C 1.378 178.686 177.300 0.014 0.000 1.149 230 P CA 2.462 65.575 63.100 0.021 0.000 0.817 230 P CB -0.204 31.507 31.700 0.019 0.000 0.785 231 A N 0.966 123.789 122.820 0.006 0.000 1.877 231 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 231 A C 2.543 180.137 177.584 0.017 0.000 1.186 231 A CA 2.365 54.412 52.037 0.017 0.000 0.620 231 A CB -1.589 17.420 19.000 0.014 0.000 0.822 231 A HN 0.230 nan 8.150 nan 0.000 0.443 232 A N -0.172 122.657 122.820 0.016 0.000 1.877 232 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 232 A C 1.996 179.562 177.584 -0.030 0.000 1.186 232 A CA 1.563 53.604 52.037 0.006 0.000 0.620 232 A CB -0.518 18.497 19.000 0.025 0.000 0.822 232 A HN 0.409 nan 8.150 nan 0.000 0.443 233 I N 0.658 121.219 120.570 -0.015 0.000 2.423 233 I HA -0.174 3.995 4.170 -0.001 0.000 0.254 233 I C 0.821 176.887 176.117 -0.084 0.000 1.151 233 I CA 1.286 62.558 61.300 -0.047 0.000 1.421 233 I CB -1.051 36.929 38.000 -0.033 0.000 1.079 233 I HN 0.367 nan 8.210 nan 0.000 0.431 234 N N 0.590 119.271 118.700 -0.032 0.000 2.238 234 N HA 0.123 4.862 4.740 -0.001 0.000 0.222 234 N C 1.076 176.612 175.510 0.043 0.000 1.133 234 N CA 0.670 53.748 53.050 0.046 0.000 0.854 234 N CB 0.918 39.477 38.487 0.121 0.000 1.041 234 N HN 0.374 nan 8.380 nan 0.000 0.510 235 G N 1.195 109.932 108.800 -0.106 0.000 2.273 235 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.280 235 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.280 235 G C 0.194 175.127 174.900 0.055 0.000 1.047 235 G CA 0.942 45.999 45.100 -0.073 0.000 0.869 235 G HN 0.332 nan 8.290 nan 0.000 0.502 236 V N -4.331 115.618 119.914 0.058 0.000 3.156 236 V HA 0.898 5.017 4.120 -0.001 0.000 0.311 236 V C 0.520 176.653 176.094 0.064 0.000 1.208 236 V CA -1.198 61.147 62.300 0.074 0.000 1.063 236 V CB 1.984 33.854 31.823 0.077 0.000 1.098 236 V HN 0.541 nan 8.190 nan 0.000 0.452 237 V N 1.020 120.974 119.914 0.067 0.000 2.465 237 V HA 0.780 4.899 4.120 -0.001 0.000 0.279 237 V C 0.811 176.932 176.094 0.045 0.000 1.045 237 V CA 0.744 63.083 62.300 0.065 0.000 0.938 237 V CB 0.856 32.720 31.823 0.070 0.000 0.986 237 V HN 1.316 nan 8.190 nan 0.000 0.467 238 G N 4.108 112.932 108.800 0.040 0.000 2.643 238 G HA2 0.660 4.619 3.960 -0.001 0.000 0.305 238 G HA3 0.660 4.619 3.960 -0.001 0.000 0.305 238 G C -1.630 173.279 174.900 0.015 0.000 1.387 238 G CA -0.511 44.600 45.100 0.018 0.000 0.982 238 G HN 0.690 nan 8.290 nan 0.000 0.501 239 L N 2.004 123.225 121.223 -0.003 0.000 2.376 239 L HA 0.639 4.979 4.340 -0.001 0.000 0.275 239 L C -0.387 176.468 176.870 -0.024 0.000 0.987 239 L CA -0.924 53.908 54.840 -0.013 0.000 0.828 239 L CB 1.703 43.742 42.059 -0.032 0.000 1.249 239 L HN 0.416 nan 8.230 nan 0.000 0.409 240 K N 7.772 128.160 120.400 -0.020 0.000 2.334 240 K HA 0.499 4.818 4.320 -0.001 0.000 0.265 240 K C -2.570 174.011 176.600 -0.032 0.000 1.039 240 K CA -1.807 54.464 56.287 -0.027 0.000 0.920 240 K CB 1.377 33.861 32.500 -0.027 0.000 1.160 240 K HN 0.304 nan 8.250 nan 0.000 0.451 241 P HA 0.074 nan 4.420 nan 0.000 0.279 241 P C -0.554 176.699 177.300 -0.080 0.000 1.282 241 P CA -0.361 62.707 63.100 -0.054 0.000 0.788 241 P CB 0.454 32.131 31.700 -0.039 0.000 1.139 242 T N 0.095 114.557 114.554 -0.152 0.000 2.940 242 T HA 0.088 4.438 4.350 -0.001 0.000 0.309 242 T C 0.349 174.909 174.700 -0.233 0.000 1.056 242 T CA -0.116 61.786 62.100 -0.330 0.000 1.137 242 T CB -0.146 68.218 68.868 -0.840 0.000 0.976 242 T HN 0.090 nan 8.240 nan 0.000 0.547 243 V N 3.572 123.373 119.914 -0.187 0.000 2.485 243 V HA 0.420 4.539 4.120 -0.001 0.000 0.287 243 V C 1.478 177.577 176.094 0.007 0.000 1.022 243 V CA 1.401 63.668 62.300 -0.056 0.000 1.067 243 V CB 0.091 31.901 31.823 -0.022 0.000 0.967 243 V HN 1.267 nan 8.190 nan 0.000 0.479 244 G N 3.936 112.814 108.800 0.129 0.000 2.284 244 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.201 244 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.201 244 G C 0.425 175.544 174.900 0.365 0.000 0.998 244 G CA 0.215 45.486 45.100 0.285 0.000 0.651 244 G HN 0.661 nan 8.290 nan 0.000 0.489 245 L N 1.139 122.573 121.223 0.351 0.000 2.072 245 L HA 0.504 4.844 4.340 -0.001 0.000 0.205 245 L C 0.946 177.946 176.870 0.216 0.000 1.079 245 L CA 1.499 56.552 54.840 0.355 0.000 0.752 245 L CB 0.170 42.414 42.059 0.309 0.000 0.906 245 L HN 0.187 nan 8.230 nan 0.000 0.436 246 V N -0.114 119.898 119.914 0.162 0.000 2.448 246 V HA 0.337 4.456 4.120 -0.001 0.000 0.295 246 V C 0.179 176.357 176.094 0.140 0.000 1.025 246 V CA -0.746 61.643 62.300 0.148 0.000 0.859 246 V CB 1.274 33.162 31.823 0.109 0.000 0.988 246 V HN 0.195 nan 8.190 nan 0.000 0.431 247 S N 3.410 119.209 115.700 0.165 0.000 2.552 247 S HA 0.144 4.614 4.470 -0.001 0.000 0.289 247 S C 0.973 175.653 174.600 0.134 0.000 1.304 247 S CA -0.099 58.175 58.200 0.123 0.000 1.063 247 S CB 0.200 63.459 63.200 0.098 0.000 0.848 247 S HN 0.674 nan 8.310 nan 0.000 0.499 248 R N 2.261 122.826 120.500 0.108 0.000 2.359 248 R HA 0.263 4.602 4.340 -0.001 0.000 0.231 248 R C -0.254 176.130 176.300 0.139 0.000 0.913 248 R CA -0.088 56.081 56.100 0.115 0.000 1.075 248 R CB -0.132 30.233 30.300 0.107 0.000 1.087 248 R HN 0.617 nan 8.270 nan 0.000 0.515 249 D N -0.172 120.312 120.400 0.141 0.000 2.458 249 D HA 0.243 4.882 4.640 -0.001 0.000 0.243 249 D C 1.077 177.507 176.300 0.216 0.000 1.146 249 D CA 1.598 55.703 54.000 0.175 0.000 0.877 249 D CB 0.570 41.450 40.800 0.132 0.000 1.176 249 D HN 0.321 nan 8.370 nan 0.000 0.461 250 G N 2.812 111.783 108.800 0.284 0.000 2.136 250 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.242 250 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.242 250 G C 0.177 175.190 174.900 0.188 0.000 0.989 250 G CA 0.119 45.336 45.100 0.196 0.000 0.682 250 G HN 0.514 nan 8.290 nan 0.000 0.522 251 I N 0.803 121.506 120.570 0.222 0.000 2.465 251 I HA 0.413 4.582 4.170 -0.001 0.000 0.291 251 I C 0.779 176.878 176.117 -0.031 0.000 1.014 251 I CA -1.277 60.080 61.300 0.095 0.000 1.093 251 I CB 1.786 39.827 38.000 0.068 0.000 1.267 251 I HN -0.070 nan 8.210 nan 0.000 0.431 252 I N 8.160 128.562 120.570 -0.279 0.000 2.662 252 I HA 0.070 4.239 4.170 -0.001 0.000 0.285 252 I C -1.777 174.222 176.117 -0.196 0.000 1.161 252 I CA -0.993 59.959 61.300 -0.580 0.000 1.415 252 I CB 0.095 37.850 38.000 -0.408 0.000 1.385 252 I HN 0.327 nan 8.210 nan 0.000 0.552 253 P HA 0.428 nan 4.420 nan 0.000 0.287 253 P C 0.203 177.515 177.300 0.020 0.000 1.296 253 P CA -0.236 62.842 63.100 -0.037 0.000 0.811 253 P CB 2.377 34.075 31.700 -0.003 0.000 1.211 254 I N -1.719 118.858 120.570 0.011 0.000 3.680 254 I HA 0.098 4.267 4.170 -0.001 0.000 0.261 254 I C 0.580 176.619 176.117 -0.130 0.000 1.121 254 I CA 0.306 61.597 61.300 -0.015 0.000 1.429 254 I CB 0.438 38.318 38.000 -0.199 0.000 1.719 254 I HN 0.294 nan 8.210 nan 0.000 0.413 255 S N 0.825 116.444 115.700 -0.135 0.000 2.672 255 S HA 0.324 4.794 4.470 -0.001 0.000 0.291 255 S C 0.296 174.822 174.600 -0.122 0.000 1.145 255 S CA -0.686 57.387 58.200 -0.212 0.000 1.013 255 S CB 0.821 63.887 63.200 -0.223 0.000 1.017 255 S HN 0.293 nan 8.310 nan 0.000 0.487 256 F N 3.269 123.228 119.950 0.015 0.000 2.502 256 F HA 0.233 4.759 4.527 -0.001 0.000 0.298 256 F C 1.780 177.597 175.800 0.028 0.000 1.111 256 F CA 0.471 58.486 58.000 0.025 0.000 1.445 256 F CB -0.858 38.162 39.000 0.033 0.000 1.081 256 F HN 0.476 nan 8.300 nan 0.000 0.558 257 S N -0.111 115.525 115.700 -0.106 0.000 2.425 257 S HA -0.051 4.418 4.470 -0.001 0.000 0.225 257 S C 1.716 176.300 174.600 -0.027 0.000 1.024 257 S CA 1.096 59.292 58.200 -0.006 0.000 0.951 257 S CB -0.158 62.968 63.200 -0.123 0.000 0.796 257 S HN 0.580 nan 8.310 nan 0.000 0.498 258 Q N -0.045 119.717 119.800 -0.063 0.000 2.280 258 Q HA 0.180 4.519 4.340 -0.001 0.000 0.244 258 Q C -0.767 175.213 176.000 -0.033 0.000 0.847 258 Q CA -0.194 55.573 55.803 -0.061 0.000 0.945 258 Q CB 0.383 29.070 28.738 -0.086 0.000 1.115 258 Q HN 0.278 nan 8.270 nan 0.000 0.513 259 D N 1.766 122.158 120.400 -0.013 0.000 2.443 259 D HA 0.163 4.802 4.640 -0.001 0.000 0.239 259 D C -0.236 176.077 176.300 0.023 0.000 1.136 259 D CA 1.106 55.110 54.000 0.006 0.000 0.879 259 D CB 1.072 41.888 40.800 0.027 0.000 1.195 259 D HN -0.117 nan 8.370 nan 0.000 0.443 260 T N -0.294 114.270 114.554 0.016 0.000 2.977 260 T HA 0.586 4.936 4.350 -0.001 0.000 0.345 260 T C -1.456 173.255 174.700 0.018 0.000 1.562 260 T CA -0.666 61.448 62.100 0.024 0.000 1.090 260 T CB 0.753 69.628 68.868 0.012 0.000 1.383 260 T HN 0.330 nan 8.240 nan 0.000 0.484 261 A N 1.759 124.597 122.820 0.029 0.000 2.286 261 A HA 0.970 5.290 4.320 -0.001 0.000 0.286 261 A C 0.625 178.214 177.584 0.010 0.000 1.097 261 A CA 0.125 52.174 52.037 0.021 0.000 0.821 261 A CB 0.581 19.602 19.000 0.034 0.000 1.076 261 A HN 1.466 nan 8.150 nan 0.000 0.490 262 G N 0.063 108.863 108.800 -0.001 0.000 2.673 262 G HA2 0.642 4.602 3.960 -0.001 0.000 0.292 262 G HA3 0.642 4.602 3.960 -0.001 0.000 0.292 262 G C -3.413 171.478 174.900 -0.014 0.000 1.450 262 G CA -0.968 44.125 45.100 -0.012 0.000 0.837 262 G HN 0.563 nan 8.290 nan 0.000 0.505 263 P HA 0.455 nan 4.420 nan 0.000 0.282 263 P C -0.804 176.492 177.300 -0.007 0.000 1.249 263 P CA -0.293 62.799 63.100 -0.013 0.000 0.806 263 P CB 1.503 33.194 31.700 -0.016 0.000 0.984 264 M N 1.802 121.400 119.600 -0.003 0.000 2.263 264 M HA 0.692 5.171 4.480 -0.001 0.000 0.295 264 M C -0.507 175.801 176.300 0.013 0.000 1.028 264 M CA -0.418 54.886 55.300 0.006 0.000 0.921 264 M CB 2.630 35.231 32.600 0.002 0.000 1.601 264 M HN 0.438 nan 8.290 nan 0.000 0.440 265 A N 2.155 124.992 122.820 0.029 0.000 2.599 265 A HA 0.662 4.981 4.320 -0.001 0.000 0.290 265 A C -0.217 177.403 177.584 0.061 0.000 1.101 265 A CA -0.766 51.296 52.037 0.041 0.000 0.674 265 A CB 1.503 20.528 19.000 0.041 0.000 1.277 265 A HN 0.923 nan 8.150 nan 0.000 0.419 266 R N -0.001 120.544 120.500 0.074 0.000 2.240 266 R HA 0.106 4.446 4.340 -0.001 0.000 0.203 266 R C 0.481 176.833 176.300 0.086 0.000 1.011 266 R CA 1.279 57.432 56.100 0.087 0.000 1.007 266 R CB 0.031 30.392 30.300 0.102 0.000 0.911 266 R HN 0.776 nan 8.270 nan 0.000 0.468 267 S N -1.972 113.780 115.700 0.086 0.000 2.595 267 S HA 0.244 4.713 4.470 -0.001 0.000 0.281 267 S C 0.848 175.510 174.600 0.104 0.000 1.117 267 S CA -1.032 57.227 58.200 0.097 0.000 0.873 267 S CB 2.111 65.376 63.200 0.107 0.000 1.108 267 S HN -0.191 nan 8.310 nan 0.000 0.477 268 V N 1.575 121.571 119.914 0.136 0.000 2.427 268 V HA -0.081 4.039 4.120 -0.001 0.000 0.248 268 V C 2.944 179.113 176.094 0.124 0.000 1.051 268 V CA 2.356 64.739 62.300 0.139 0.000 1.048 268 V CB -1.545 30.401 31.823 0.205 0.000 0.666 268 V HN 1.015 nan 8.190 nan 0.000 0.456 269 A N 0.071 122.988 122.820 0.161 0.000 1.902 269 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 269 A C 1.976 179.593 177.584 0.054 0.000 1.181 269 A CA 2.073 54.155 52.037 0.076 0.000 0.623 269 A CB -0.568 18.496 19.000 0.106 0.000 0.818 269 A HN 0.535 nan 8.150 nan 0.000 0.443 270 D N 0.043 120.484 120.400 0.069 0.000 2.117 270 D HA -0.003 4.636 4.640 -0.001 0.000 0.198 270 D C 2.224 178.546 176.300 0.038 0.000 0.982 270 D CA 1.439 55.470 54.000 0.053 0.000 0.828 270 D CB -0.477 40.359 40.800 0.060 0.000 0.967 270 D HN 0.418 nan 8.370 nan 0.000 0.464 271 A N 1.056 123.899 122.820 0.037 0.000 1.902 271 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 271 A C 2.299 179.884 177.584 0.001 0.000 1.181 271 A CA 2.156 54.203 52.037 0.016 0.000 0.623 271 A CB -0.683 18.326 19.000 0.016 0.000 0.818 271 A HN 0.234 nan 8.150 nan 0.000 0.443 272 A N -0.273 122.557 122.820 0.015 0.000 1.930 272 A HA 0.208 4.527 4.320 -0.001 0.000 0.217 272 A C 2.458 180.083 177.584 0.067 0.000 1.175 272 A CA 1.889 53.945 52.037 0.032 0.000 0.627 272 A CB -0.866 18.164 19.000 0.049 0.000 0.815 272 A HN 1.001 nan 8.150 nan 0.000 0.443 273 A N -0.538 122.310 122.820 0.047 0.000 1.898 273 A HA 0.028 4.348 4.320 -0.001 0.000 0.216 273 A C 2.200 179.814 177.584 0.050 0.000 1.181 273 A CA 1.721 53.788 52.037 0.050 0.000 0.620 273 A CB -0.819 18.201 19.000 0.034 0.000 0.819 273 A HN 0.368 nan 8.150 nan 0.000 0.442 274 V N -0.357 119.575 119.914 0.031 0.000 2.358 274 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 274 V C 2.465 178.574 176.094 0.025 0.000 1.047 274 V CA 1.795 64.107 62.300 0.020 0.000 1.035 274 V CB -0.757 31.068 31.823 0.005 0.000 0.658 274 V HN 0.560 nan 8.190 nan 0.000 0.452 275 L N 0.217 121.441 121.223 0.001 0.000 2.042 275 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 275 L C 2.477 179.411 176.870 0.106 0.000 1.076 275 L CA 2.411 57.227 54.840 -0.040 0.000 0.749 275 L CB -0.972 40.927 42.059 -0.266 0.000 0.893 275 L HN 0.347 nan 8.230 nan 0.000 0.432 276 T N -0.375 114.316 114.554 0.229 0.000 2.759 276 T HA -0.175 4.175 4.350 -0.001 0.000 0.269 276 T C 1.830 176.636 174.700 0.176 0.000 1.042 276 T CA 1.319 63.613 62.100 0.323 0.000 1.140 276 T CB -0.428 68.572 68.868 0.220 0.000 0.864 276 T HN 0.532 nan 8.240 nan 0.000 0.455 277 A N 1.399 124.282 122.820 0.105 0.000 1.930 277 A HA 0.142 4.461 4.320 -0.001 0.000 0.215 277 A C 2.239 179.855 177.584 0.052 0.000 1.176 277 A CA 0.982 53.055 52.037 0.060 0.000 0.632 277 A CB -0.514 18.503 19.000 0.028 0.000 0.819 277 A HN 0.705 nan 8.150 nan 0.000 0.445 278 I N -3.481 117.127 120.570 0.064 0.000 3.427 278 I HA 0.401 4.571 4.170 -0.001 0.000 0.288 278 I C 1.107 177.301 176.117 0.128 0.000 1.249 278 I CA 0.152 61.491 61.300 0.065 0.000 1.421 278 I CB -0.190 37.839 38.000 0.048 0.000 1.086 278 I HN 0.128 nan 8.210 nan 0.000 0.448 279 A N 1.691 124.606 122.820 0.159 0.000 2.425 279 A HA 0.655 4.974 4.320 -0.001 0.000 0.249 279 A C 0.470 178.181 177.584 0.212 0.000 1.084 279 A CA 0.581 52.740 52.037 0.203 0.000 0.781 279 A CB -0.306 18.863 19.000 0.281 0.000 1.019 279 A HN 0.722 nan 8.150 nan 0.000 0.490 280 G N 0.700 109.627 108.800 0.212 0.000 2.358 280 G HA2 0.387 4.347 3.960 -0.001 0.000 0.303 280 G HA3 0.387 4.347 3.960 -0.001 0.000 0.303 280 G C -0.763 174.226 174.900 0.149 0.000 1.537 280 G CA -0.831 44.388 45.100 0.198 0.000 0.928 280 G HN 0.954 nan 8.290 nan 0.000 0.656 281 R N 0.310 120.855 120.500 0.074 0.000 2.490 281 R HA 0.498 4.837 4.340 -0.001 0.000 0.280 281 R C -1.215 174.995 176.300 -0.149 0.000 1.077 281 R CA -0.166 55.923 56.100 -0.018 0.000 1.065 281 R CB 0.912 31.199 30.300 -0.021 0.000 1.003 281 R HN 0.519 nan 8.270 nan 0.000 0.470 282 D N 2.041 122.277 120.400 -0.273 0.000 2.788 282 D HA 0.126 4.765 4.640 -0.001 0.000 0.247 282 D C -0.263 175.880 176.300 -0.262 0.000 1.236 282 D CA -0.571 53.117 54.000 -0.520 0.000 0.898 282 D CB 1.627 41.856 40.800 -0.952 0.000 1.401 282 D HN 0.480 nan 8.370 nan 0.000 0.549 283 D N 2.551 122.836 120.400 -0.190 0.000 2.221 283 D HA -0.108 4.531 4.640 -0.001 0.000 0.204 283 D C 1.593 177.835 176.300 -0.096 0.000 0.982 283 D CA 1.031 54.966 54.000 -0.107 0.000 0.857 283 D CB 0.113 40.870 40.800 -0.071 0.000 0.934 283 D HN 0.526 nan 8.370 nan 0.000 0.475 284 A N 0.130 122.879 122.820 -0.118 0.000 2.168 284 A HA -0.081 4.238 4.320 -0.001 0.000 0.215 284 A C 0.720 178.269 177.584 -0.058 0.000 1.152 284 A CA 0.493 52.487 52.037 -0.073 0.000 0.716 284 A CB 0.205 19.177 19.000 -0.047 0.000 0.794 284 A HN -0.027 nan 8.150 nan 0.000 0.465 285 D N -1.586 118.768 120.400 -0.078 0.000 2.420 285 D HA 0.383 5.022 4.640 -0.001 0.000 0.255 285 D C -2.239 174.042 176.300 -0.032 0.000 1.185 285 D CA -2.098 51.879 54.000 -0.039 0.000 0.904 285 D CB 1.401 42.190 40.800 -0.018 0.000 1.102 285 D HN -0.109 nan 8.370 nan 0.000 0.534 286 P HA -0.155 nan 4.420 nan 0.000 0.217 286 P C 1.103 178.412 177.300 0.014 0.000 1.148 286 P CA 1.312 64.399 63.100 -0.022 0.000 0.834 286 P CB 0.311 31.985 31.700 -0.044 0.000 0.783 287 A N -0.452 122.392 122.820 0.040 0.000 1.972 287 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 287 A C 2.168 179.826 177.584 0.123 0.000 1.169 287 A CA 2.287 54.382 52.037 0.095 0.000 0.635 287 A CB -1.913 17.156 19.000 0.115 0.000 0.810 287 A HN 0.364 nan 8.150 nan 0.000 0.446 288 T N -3.232 111.369 114.554 0.078 0.000 3.113 288 T HA 0.307 4.656 4.350 -0.001 0.000 0.263 288 T C 1.434 176.152 174.700 0.030 0.000 1.143 288 T CA 1.104 63.250 62.100 0.076 0.000 1.090 288 T CB -0.146 68.737 68.868 0.025 0.000 0.922 288 T HN 0.501 nan 8.240 nan 0.000 0.521 289 A N 1.698 124.528 122.820 0.017 0.000 2.238 289 A HA 0.223 4.542 4.320 -0.001 0.000 0.210 289 A C 2.349 179.927 177.584 -0.011 0.000 1.179 289 A CA 0.857 52.886 52.037 -0.012 0.000 0.827 289 A CB -0.688 18.302 19.000 -0.016 0.000 0.856 289 A HN 0.651 nan 8.150 nan 0.000 0.488 290 T N -3.013 111.565 114.554 0.039 0.000 3.107 290 T HA 0.276 4.625 4.350 -0.001 0.000 0.249 290 T C 0.673 175.357 174.700 -0.027 0.000 1.096 290 T CA -0.045 62.094 62.100 0.065 0.000 1.012 290 T CB -0.543 68.432 68.868 0.178 0.000 0.977 290 T HN 0.343 nan 8.240 nan 0.000 0.527 291 M N 4.146 123.608 119.600 -0.230 0.000 2.184 291 M HA 0.304 4.784 4.480 -0.001 0.000 0.351 291 M C -2.309 173.610 176.300 -0.635 0.000 1.395 291 M CA -2.078 52.719 55.300 -0.837 0.000 1.117 291 M CB 0.909 33.008 32.600 -0.835 0.000 1.708 291 M HN -0.064 nan 8.290 nan 0.000 0.468 292 P HA 0.184 nan 4.420 nan 0.000 0.276 292 P C 0.114 177.189 177.300 -0.376 0.000 1.243 292 P CA 0.275 63.114 63.100 -0.435 0.000 0.768 292 P CB 0.547 32.026 31.700 -0.369 0.000 0.856 293 G N 3.215 111.873 108.800 -0.237 0.000 2.371 293 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.299 293 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.299 293 G C 0.288 175.073 174.900 -0.192 0.000 1.014 293 G CA -0.081 44.912 45.100 -0.179 0.000 1.097 293 G HN 0.834 nan 8.290 nan 0.000 0.512 294 R N 0.078 120.462 120.500 -0.193 0.000 2.543 294 R HA 0.628 4.968 4.340 -0.001 0.000 0.277 294 R C 0.421 176.675 176.300 -0.077 0.000 1.074 294 R CA 0.528 56.536 56.100 -0.152 0.000 1.076 294 R CB 0.479 30.698 30.300 -0.135 0.000 0.993 294 R HN 0.978 nan 8.270 nan 0.000 0.459 295 A N 2.985 125.781 122.820 -0.039 0.000 2.602 295 A HA 0.332 4.651 4.320 -0.001 0.000 0.290 295 A C -1.058 176.553 177.584 0.046 0.000 1.114 295 A CA -0.751 51.288 52.037 0.003 0.000 0.683 295 A CB 1.561 20.566 19.000 0.009 0.000 1.281 295 A HN 0.465 nan 8.150 nan 0.000 0.416 296 V N 1.861 121.799 119.914 0.039 0.000 2.356 296 V HA 0.051 4.170 4.120 -0.001 0.000 0.244 296 V C -0.480 175.632 176.094 0.031 0.000 1.120 296 V CA 0.645 62.968 62.300 0.038 0.000 1.181 296 V CB -1.714 30.117 31.823 0.013 0.000 1.244 296 V HN 0.612 nan 8.190 nan 0.000 0.487 297 Y N 3.186 123.402 120.300 -0.139 0.000 2.320 297 Y HA 0.433 4.983 4.550 -0.001 0.000 0.334 297 Y C 0.321 176.021 175.900 -0.335 0.000 1.055 297 Y CA -1.225 56.702 58.100 -0.288 0.000 1.143 297 Y CB 1.331 39.507 38.460 -0.474 0.000 1.193 297 Y HN 0.632 nan 8.280 nan 0.000 0.477 298 D N 4.454 124.430 120.400 -0.708 0.000 2.428 298 D HA 0.073 4.712 4.640 -0.001 0.000 0.221 298 D C -0.131 175.820 176.300 -0.582 0.000 1.123 298 D CA -0.045 53.681 54.000 -0.456 0.000 0.869 298 D CB 0.158 40.769 40.800 -0.314 0.000 1.032 298 D HN 0.555 nan 8.370 nan 0.000 0.506 299 Y N 1.331 121.553 120.300 -0.130 0.000 2.497 299 Y HA -0.123 4.426 4.550 -0.001 0.000 0.292 299 Y C 2.605 178.455 175.900 -0.084 0.000 1.137 299 Y CA 1.352 59.445 58.100 -0.011 0.000 1.285 299 Y CB -0.295 38.231 38.460 0.110 0.000 0.991 299 Y HN 0.478 nan 8.280 nan 0.000 0.556 300 T N -3.469 111.083 114.554 -0.005 0.000 3.072 300 T HA -0.003 4.347 4.350 -0.001 0.000 0.266 300 T C 1.988 176.609 174.700 -0.133 0.000 1.127 300 T CA 0.682 62.742 62.100 -0.068 0.000 1.107 300 T CB -0.312 68.520 68.868 -0.060 0.000 0.910 300 T HN 0.283 nan 8.240 nan 0.000 0.513 301 A N 1.529 124.248 122.820 -0.168 0.000 2.168 301 A HA 0.133 4.453 4.320 -0.001 0.000 0.215 301 A C 2.308 179.816 177.584 -0.126 0.000 1.152 301 A CA 0.274 52.207 52.037 -0.173 0.000 0.716 301 A CB -0.300 18.549 19.000 -0.251 0.000 0.794 301 A HN 0.304 nan 8.150 nan 0.000 0.465 302 R N -0.320 120.128 120.500 -0.088 0.000 2.334 302 R HA 0.206 4.545 4.340 -0.001 0.000 0.220 302 R C -0.273 175.966 176.300 -0.102 0.000 0.917 302 R CA 0.031 56.118 56.100 -0.020 0.000 1.073 302 R CB -0.372 29.994 30.300 0.110 0.000 1.056 302 R HN 0.453 nan 8.270 nan 0.000 0.506 303 L N 2.341 123.402 121.223 -0.271 0.000 2.384 303 L HA 0.116 4.455 4.340 -0.001 0.000 0.258 303 L C 0.050 176.680 176.870 -0.401 0.000 1.266 303 L CA -0.146 54.268 54.840 -0.710 0.000 1.162 303 L CB -0.244 41.196 42.059 -1.033 0.000 1.375 303 L HN -0.228 nan 8.230 nan 0.000 0.420 304 D N 4.043 124.432 120.400 -0.019 0.000 2.329 304 D HA 0.198 4.838 4.640 -0.001 0.000 0.232 304 D C -1.367 175.118 176.300 0.309 0.000 1.088 304 D CA -2.140 51.942 54.000 0.136 0.000 0.835 304 D CB 1.975 42.826 40.800 0.085 0.000 1.078 304 D HN 0.104 nan 8.370 nan 0.000 0.495 305 P HA -0.110 nan 4.420 nan 0.000 0.225 305 P C 0.404 177.765 177.300 0.103 0.000 1.148 305 P CA 0.833 64.042 63.100 0.182 0.000 0.779 305 P CB 0.484 32.264 31.700 0.132 0.000 0.780 306 Q N -0.711 119.152 119.800 0.104 0.000 2.189 306 Q HA 0.211 4.551 4.340 -0.001 0.000 0.221 306 Q C 1.826 177.877 176.000 0.085 0.000 0.848 306 Q CA -0.111 55.739 55.803 0.077 0.000 1.007 306 Q CB 0.021 28.795 28.738 0.061 0.000 1.116 306 Q HN 0.197 nan 8.270 nan 0.000 0.481 307 G N 0.561 109.427 108.800 0.110 0.000 2.535 307 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.218 307 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.218 307 G C 1.162 176.120 174.900 0.096 0.000 1.122 307 G CA 0.450 45.613 45.100 0.105 0.000 0.769 307 G HN 0.271 nan 8.290 nan 0.000 0.549 308 L N -0.796 120.486 121.223 0.098 0.000 2.554 308 L HA 0.261 4.601 4.340 -0.001 0.000 0.225 308 L C 1.557 178.477 176.870 0.084 0.000 1.104 308 L CA -0.412 54.490 54.840 0.104 0.000 0.866 308 L CB 0.172 42.307 42.059 0.127 0.000 1.047 308 L HN 0.037 nan 8.230 nan 0.000 0.468 309 R N 0.741 121.284 120.500 0.071 0.000 2.458 309 R HA 0.163 4.503 4.340 -0.001 0.000 0.303 309 R C 1.069 177.402 176.300 0.056 0.000 1.013 309 R CA 1.031 57.167 56.100 0.059 0.000 1.026 309 R CB 0.149 30.480 30.300 0.051 0.000 0.948 309 R HN 0.289 nan 8.270 nan 0.000 0.417 310 G N 3.096 111.927 108.800 0.052 0.000 2.179 310 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.260 310 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.260 310 G C -0.137 174.795 174.900 0.053 0.000 0.977 310 G CA 0.084 45.213 45.100 0.048 0.000 0.641 310 G HN 0.494 nan 8.290 nan 0.000 0.533 311 K N 0.268 120.706 120.400 0.063 0.000 2.126 311 K HA 0.578 4.898 4.320 -0.001 0.000 0.257 311 K C 0.611 177.250 176.600 0.065 0.000 1.007 311 K CA -0.347 55.981 56.287 0.069 0.000 0.928 311 K CB 0.779 33.332 32.500 0.087 0.000 1.013 311 K HN 0.378 nan 8.250 nan 0.000 0.473 312 R N 1.566 122.105 120.500 0.065 0.000 2.439 312 R HA 0.506 4.845 4.340 -0.001 0.000 0.310 312 R C -0.326 176.008 176.300 0.056 0.000 0.955 312 R CA -0.447 55.687 56.100 0.057 0.000 0.853 312 R CB 1.019 31.355 30.300 0.060 0.000 1.171 312 R HN 0.474 nan 8.270 nan 0.000 0.449 313 I N 1.079 121.672 120.570 0.038 0.000 2.509 313 I HA 0.421 4.590 4.170 -0.001 0.000 0.293 313 I C 0.446 176.549 176.117 -0.023 0.000 1.020 313 I CA -0.918 60.394 61.300 0.020 0.000 1.088 313 I CB 2.369 40.379 38.000 0.017 0.000 1.267 313 I HN 0.639 nan 8.210 nan 0.000 0.430 314 G N 5.605 114.383 108.800 -0.036 0.000 2.335 314 G HA2 0.530 4.489 3.960 -0.001 0.000 0.314 314 G HA3 0.530 4.489 3.960 -0.001 0.000 0.314 314 G C -1.137 173.710 174.900 -0.088 0.000 1.129 314 G CA -0.427 44.628 45.100 -0.075 0.000 0.912 314 G HN 0.410 nan 8.290 nan 0.000 0.443 315 L N 4.074 125.237 121.223 -0.101 0.000 2.283 315 L HA 0.422 4.761 4.340 -0.001 0.000 0.287 315 L C 0.244 177.062 176.870 -0.087 0.000 1.073 315 L CA -0.607 54.171 54.840 -0.104 0.000 0.822 315 L CB 0.453 42.454 42.059 -0.097 0.000 1.186 315 L HN 0.386 nan 8.230 nan 0.000 0.436 316 L N 5.436 126.611 121.223 -0.079 0.000 2.499 316 L HA 0.114 4.453 4.340 -0.001 0.000 0.273 316 L C 0.420 177.258 176.870 -0.053 0.000 1.195 316 L CA -0.059 54.747 54.840 -0.056 0.000 0.882 316 L CB 0.250 42.282 42.059 -0.044 0.000 1.133 316 L HN 0.579 nan 8.230 nan 0.000 0.483 317 Q N 3.524 123.299 119.800 -0.042 0.000 2.681 317 Q HA 0.184 4.523 4.340 -0.001 0.000 0.222 317 Q C 0.145 176.125 176.000 -0.034 0.000 1.258 317 Q CA -0.138 55.642 55.803 -0.038 0.000 1.014 317 Q CB 0.477 29.195 28.738 -0.033 0.000 1.384 317 Q HN 0.705 nan 8.270 nan 0.000 0.570 318 T N -2.669 111.862 114.554 -0.038 0.000 2.942 318 T HA 0.493 4.842 4.350 -0.001 0.000 0.289 318 T C -1.974 172.706 174.700 -0.033 0.000 1.044 318 T CA -2.208 59.869 62.100 -0.039 0.000 1.023 318 T CB 1.975 70.814 68.868 -0.048 0.000 1.123 318 T HN -0.057 nan 8.240 nan 0.000 0.512 319 P HA -0.005 nan 4.420 nan 0.000 0.223 319 P C 1.376 178.679 177.300 0.004 0.000 1.144 319 P CA 0.215 63.304 63.100 -0.017 0.000 0.783 319 P CB -0.010 31.676 31.700 -0.024 0.000 0.771 320 L N -1.085 120.129 121.223 -0.015 0.000 2.265 320 L HA -0.103 4.237 4.340 -0.001 0.000 0.215 320 L C 1.906 178.784 176.870 0.014 0.000 1.117 320 L CA 1.512 56.347 54.840 -0.009 0.000 0.782 320 L CB -1.083 40.926 42.059 -0.083 0.000 0.914 320 L HN -0.026 nan 8.230 nan 0.000 0.441 321 L N -1.204 120.017 121.223 -0.003 0.000 2.275 321 L HA -0.122 4.217 4.340 -0.001 0.000 0.215 321 L C 1.704 178.589 176.870 0.026 0.000 1.119 321 L CA 0.665 55.504 54.840 -0.002 0.000 0.790 321 L CB -0.480 41.567 42.059 -0.019 0.000 0.919 321 L HN 0.137 nan 8.230 nan 0.000 0.443 322 K N -0.700 119.722 120.400 0.038 0.000 2.372 322 K HA 0.095 4.414 4.320 -0.001 0.000 0.200 322 K C -0.061 176.576 176.600 0.062 0.000 1.022 322 K CA -0.328 55.979 56.287 0.034 0.000 1.125 322 K CB -0.162 32.342 32.500 0.006 0.000 0.855 322 K HN 0.066 nan 8.250 nan 0.000 0.524 323 Y N 2.753 123.029 120.300 -0.039 0.000 2.702 323 Y HA -0.087 4.463 4.550 -0.001 0.000 0.336 323 Y C 0.734 176.619 175.900 -0.025 0.000 1.235 323 Y CA -0.113 57.965 58.100 -0.037 0.000 1.492 323 Y CB 0.438 38.872 38.460 -0.043 0.000 1.308 323 Y HN -0.021 nan 8.280 nan 0.000 0.589 324 R N 3.883 124.178 120.500 -0.341 0.000 2.488 324 R HA 0.105 4.444 4.340 -0.001 0.000 0.317 324 R C 1.105 177.414 176.300 0.014 0.000 0.941 324 R CA 1.321 57.312 56.100 -0.183 0.000 1.076 324 R CB -0.757 29.375 30.300 -0.279 0.000 0.917 324 R HN 1.145 nan 8.270 nan 0.000 0.407 325 G N 3.781 112.606 108.800 0.043 0.000 2.176 325 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.253 325 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.253 325 G C 0.478 175.435 174.900 0.095 0.000 0.979 325 G CA 0.399 45.541 45.100 0.070 0.000 0.641 325 G HN 0.608 nan 8.290 nan 0.000 0.530 326 M N 0.864 120.543 119.600 0.132 0.000 2.248 326 M HA 0.252 4.731 4.480 -0.001 0.000 0.265 326 M C -0.104 176.223 176.300 0.045 0.000 1.079 326 M CA 1.614 56.971 55.300 0.096 0.000 1.150 326 M CB -0.749 31.928 32.600 0.128 0.000 1.366 326 M HN 0.127 nan 8.290 nan 0.000 0.433 327 P HA -0.170 nan 4.420 nan 0.000 0.217 327 P C -1.469 175.839 177.300 0.014 0.000 1.162 327 P CA 2.289 65.400 63.100 0.018 0.000 0.901 327 P CB -1.376 30.332 31.700 0.014 0.000 0.793 328 P HA -0.118 nan 4.420 nan 0.000 0.216 328 P C 1.543 178.855 177.300 0.020 0.000 1.150 328 P CA 1.235 64.344 63.100 0.016 0.000 0.837 328 P CB -0.474 31.236 31.700 0.017 0.000 0.786 329 L N -1.604 119.632 121.223 0.022 0.000 2.027 329 L HA -0.135 4.204 4.340 -0.001 0.000 0.206 329 L C 2.330 179.211 176.870 0.019 0.000 1.074 329 L CA 1.075 55.930 54.840 0.025 0.000 0.745 329 L CB -0.801 41.271 42.059 0.022 0.000 0.898 329 L HN -0.065 nan 8.230 nan 0.000 0.433 330 I N -0.063 120.507 120.570 -0.000 0.000 2.546 330 I HA -0.224 3.945 4.170 -0.001 0.000 0.255 330 I C 2.421 178.529 176.117 -0.015 0.000 1.163 330 I CA 1.299 62.584 61.300 -0.024 0.000 1.457 330 I CB -0.244 37.733 38.000 -0.039 0.000 1.092 330 I HN 0.264 nan 8.210 nan 0.000 0.434 331 E N -0.319 119.881 120.200 -0.001 0.000 2.072 331 E HA -0.310 4.039 4.350 -0.001 0.000 0.191 331 E C 2.129 178.739 176.600 0.017 0.000 0.985 331 E CA 1.123 57.525 56.400 0.003 0.000 0.801 331 E CB -0.090 29.613 29.700 0.006 0.000 0.750 331 E HN 0.482 nan 8.360 nan 0.000 0.452 332 Q N 0.586 120.404 119.800 0.029 0.000 2.119 332 Q HA -0.073 4.266 4.340 -0.001 0.000 0.201 332 Q C 1.794 177.843 176.000 0.081 0.000 0.972 332 Q CA 1.863 57.694 55.803 0.047 0.000 0.847 332 Q CB -0.402 28.364 28.738 0.048 0.000 0.903 332 Q HN 0.332 nan 8.270 nan 0.000 0.433 333 A N 0.274 123.146 122.820 0.087 0.000 1.902 333 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 333 A C 2.296 179.926 177.584 0.076 0.000 1.181 333 A CA 1.865 53.983 52.037 0.135 0.000 0.623 333 A CB -1.190 17.816 19.000 0.009 0.000 0.818 333 A HN 0.509 nan 8.150 nan 0.000 0.443 334 A N -1.045 121.782 122.820 0.012 0.000 1.902 334 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 334 A C 2.303 179.908 177.584 0.035 0.000 1.181 334 A CA 2.322 54.358 52.037 -0.001 0.000 0.623 334 A CB -1.276 17.712 19.000 -0.020 0.000 0.818 334 A HN 0.428 nan 8.150 nan 0.000 0.443 335 T N -0.036 114.544 114.554 0.043 0.000 2.746 335 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 335 T C 1.828 176.569 174.700 0.068 0.000 1.039 335 T CA 1.464 63.592 62.100 0.046 0.000 1.142 335 T CB -0.230 68.660 68.868 0.037 0.000 0.866 335 T HN 0.480 nan 8.240 nan 0.000 0.444 336 E N 1.146 121.408 120.200 0.104 0.000 2.077 336 E HA -0.039 4.310 4.350 -0.001 0.000 0.193 336 E C 2.333 179.023 176.600 0.150 0.000 0.989 336 E CA 0.775 57.251 56.400 0.126 0.000 0.800 336 E CB -0.461 29.349 29.700 0.184 0.000 0.746 336 E HN 0.475 nan 8.360 nan 0.000 0.452 337 L N 0.289 121.616 121.223 0.174 0.000 2.046 337 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 337 L C 2.698 179.628 176.870 0.099 0.000 1.077 337 L CA 1.187 56.120 54.840 0.156 0.000 0.747 337 L CB -0.334 41.787 42.059 0.104 0.000 0.896 337 L HN 0.038 nan 8.230 nan 0.000 0.432 338 R N -0.527 120.015 120.500 0.070 0.000 2.075 338 R HA -0.063 4.276 4.340 -0.001 0.000 0.232 338 R C 2.386 178.716 176.300 0.050 0.000 1.126 338 R CA 0.778 56.909 56.100 0.051 0.000 0.963 338 R CB -0.183 30.138 30.300 0.036 0.000 0.858 338 R HN 0.235 nan 8.270 nan 0.000 0.435 339 R N 0.347 120.878 120.500 0.051 0.000 2.189 339 R HA -0.004 4.335 4.340 -0.001 0.000 0.223 339 R C 1.837 178.164 176.300 0.044 0.000 1.092 339 R CA 1.093 57.218 56.100 0.041 0.000 0.989 339 R CB -0.356 29.965 30.300 0.035 0.000 0.876 339 R HN 0.209 nan 8.270 nan 0.000 0.457 340 A N -0.240 122.617 122.820 0.061 0.000 2.167 340 A HA 0.228 4.548 4.320 -0.001 0.000 0.214 340 A C 1.393 179.013 177.584 0.061 0.000 1.151 340 A CA 1.104 53.179 52.037 0.063 0.000 0.735 340 A CB 0.059 19.114 19.000 0.092 0.000 0.802 340 A HN 0.405 nan 8.150 nan 0.000 0.467 341 G N -2.711 106.123 108.800 0.057 0.000 2.168 341 G HA2 0.208 4.167 3.960 -0.001 0.000 0.197 341 G HA3 0.208 4.167 3.960 -0.001 0.000 0.197 341 G C 0.270 175.204 174.900 0.057 0.000 0.997 341 G CA 0.084 45.215 45.100 0.052 0.000 0.658 341 G HN 1.441 nan 8.290 nan 0.000 0.513 342 A N -0.198 122.661 122.820 0.066 0.000 2.295 342 A HA 0.832 5.151 4.320 -0.001 0.000 0.318 342 A C 0.266 177.880 177.584 0.050 0.000 1.134 342 A CA -0.213 51.864 52.037 0.066 0.000 0.827 342 A CB 1.547 20.598 19.000 0.086 0.000 1.136 342 A HN 1.076 nan 8.150 nan 0.000 0.493 343 V N 1.946 121.887 119.914 0.045 0.000 2.407 343 V HA 0.387 4.506 4.120 -0.001 0.000 0.278 343 V C -0.290 175.817 176.094 0.022 0.000 1.037 343 V CA -0.284 62.036 62.300 0.033 0.000 0.900 343 V CB 1.219 33.063 31.823 0.035 0.000 0.983 343 V HN 0.574 nan 8.190 nan 0.000 0.459 344 V N 6.083 126.002 119.914 0.007 0.000 2.409 344 V HA 0.579 4.698 4.120 -0.001 0.000 0.291 344 V C -0.258 175.816 176.094 -0.034 0.000 1.020 344 V CA -0.561 61.730 62.300 -0.015 0.000 0.848 344 V CB 1.821 33.634 31.823 -0.018 0.000 0.990 344 V HN 0.744 nan 8.190 nan 0.000 0.430 345 V N 3.648 123.523 119.914 -0.066 0.000 2.735 345 V HA 0.771 4.891 4.120 -0.001 0.000 0.310 345 V C -2.660 173.346 176.094 -0.146 0.000 1.061 345 V CA -2.613 59.624 62.300 -0.106 0.000 0.913 345 V CB 2.224 33.958 31.823 -0.149 0.000 1.005 345 V HN 0.667 nan 8.190 nan 0.000 0.428 346 P HA 0.391 nan 4.420 nan 0.000 0.276 346 P C -0.551 176.648 177.300 -0.168 0.000 1.235 346 P CA 0.102 63.132 63.100 -0.117 0.000 0.772 346 P CB 1.472 33.127 31.700 -0.075 0.000 0.871 347 V N 0.145 119.978 119.914 -0.135 0.000 3.114 347 V HA 0.610 4.729 4.120 -0.001 0.000 0.308 347 V C -0.730 175.338 176.094 -0.045 0.000 1.168 347 V CA -1.087 61.141 62.300 -0.119 0.000 1.015 347 V CB 2.511 34.245 31.823 -0.150 0.000 1.050 347 V HN 0.389 nan 8.190 nan 0.000 0.433 348 E N 1.502 121.698 120.200 -0.005 0.000 2.195 348 E HA 0.553 4.903 4.350 -0.001 0.000 0.271 348 E C -1.460 175.158 176.600 0.031 0.000 0.923 348 E CA -1.001 55.403 56.400 0.007 0.000 0.790 348 E CB 2.558 32.263 29.700 0.008 0.000 1.155 348 E HN 0.718 nan 8.360 nan 0.000 0.402 349 L N 4.806 126.050 121.223 0.035 0.000 2.313 349 L HA 0.294 4.634 4.340 -0.001 0.000 0.282 349 L C -2.471 174.439 176.870 0.068 0.000 1.092 349 L CA -1.485 53.396 54.840 0.067 0.000 0.831 349 L CB 0.321 42.437 42.059 0.095 0.000 1.159 349 L HN 0.291 nan 8.230 nan 0.000 0.442 350 P HA 0.208 nan 4.420 nan 0.000 0.271 350 P C -0.404 176.949 177.300 0.088 0.000 1.216 350 P CA 0.103 63.242 63.100 0.065 0.000 0.776 350 P CB 0.408 32.148 31.700 0.066 0.000 0.881 351 N N -0.524 118.199 118.700 0.037 0.000 2.782 351 N HA -0.192 4.547 4.740 -0.001 0.000 0.251 351 N C -0.006 175.433 175.510 -0.118 0.000 1.101 351 N CA 0.677 53.732 53.050 0.008 0.000 0.764 351 N CB -1.347 37.209 38.487 0.116 0.000 1.122 351 N HN 0.567 nan 8.380 nan 0.000 0.561 352 Q N 0.839 120.569 119.800 -0.116 0.000 2.264 352 Q HA 0.295 4.635 4.340 -0.001 0.000 0.296 352 Q C 1.388 177.015 176.000 -0.622 0.000 1.103 352 Q CA 1.783 57.431 55.803 -0.258 0.000 0.967 352 Q CB -0.425 28.253 28.738 -0.101 0.000 1.090 352 Q HN 0.470 nan 8.270 nan 0.000 0.379 353 G N 2.857 110.831 108.800 -1.377 0.000 2.212 353 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.266 353 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.266 353 G C 0.836 175.086 174.900 -1.084 0.000 0.978 353 G CA 0.539 44.883 45.100 -1.260 0.000 0.632 353 G HN 1.190 nan 8.290 nan 0.000 0.537 354 A N -0.021 122.278 122.820 -0.868 0.000 2.125 354 A HA 0.197 4.516 4.320 -0.001 0.000 0.219 354 A C 1.871 179.304 177.584 -0.253 0.000 1.156 354 A CA 1.898 53.697 52.037 -0.397 0.000 0.671 354 A CB -0.733 18.157 19.000 -0.184 0.000 0.794 354 A HN 1.520 nan 8.150 nan 0.000 0.459 355 W N -1.755 119.525 121.300 -0.034 0.000 3.256 355 W HA 0.544 5.203 4.660 -0.001 0.000 0.269 355 W C 1.594 178.096 176.519 -0.028 0.000 1.310 355 W CA -0.268 57.055 57.345 -0.037 0.000 1.673 355 W CB -0.817 28.614 29.460 -0.049 0.000 1.115 355 W HN 0.207 nan 8.180 nan 0.000 0.686 356 A N 1.769 124.477 122.820 -0.185 0.000 1.881 356 A HA -0.342 3.977 4.320 -0.001 0.000 0.219 356 A C 1.994 179.606 177.584 0.046 0.000 1.215 356 A CA 2.551 54.565 52.037 -0.039 0.000 0.648 356 A CB -0.964 17.947 19.000 -0.149 0.000 0.832 356 A HN 0.485 nan 8.150 nan 0.000 0.455 357 E N -0.771 119.435 120.200 0.010 0.000 2.051 357 E HA -0.117 4.233 4.350 -0.001 0.000 0.192 357 E C 2.376 179.011 176.600 0.058 0.000 0.991 357 E CA 0.992 57.409 56.400 0.028 0.000 0.799 357 E CB -0.311 29.393 29.700 0.007 0.000 0.748 357 E HN 0.636 nan 8.360 nan 0.000 0.449 358 A N 1.337 124.197 122.820 0.067 0.000 1.933 358 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 358 A C 2.054 179.686 177.584 0.079 0.000 1.175 358 A CA 1.689 53.761 52.037 0.059 0.000 0.628 358 A CB -0.466 18.567 19.000 0.054 0.000 0.814 358 A HN 0.292 nan 8.150 nan 0.000 0.444 359 E N -0.313 119.965 120.200 0.131 0.000 2.077 359 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 359 E C 2.257 178.933 176.600 0.127 0.000 0.989 359 E CA 1.166 57.642 56.400 0.126 0.000 0.800 359 E CB -0.165 29.654 29.700 0.198 0.000 0.746 359 E HN 0.600 nan 8.360 nan 0.000 0.452 360 R N -0.153 120.423 120.500 0.128 0.000 2.083 360 R HA -0.129 4.210 4.340 -0.001 0.000 0.237 360 R C 2.227 178.633 176.300 0.176 0.000 1.137 360 R CA 2.176 58.358 56.100 0.137 0.000 0.951 360 R CB -0.372 29.983 30.300 0.092 0.000 0.851 360 R HN 0.156 nan 8.270 nan 0.000 0.434 361 T N 2.082 116.733 114.554 0.162 0.000 2.708 361 T HA -0.154 4.195 4.350 -0.001 0.000 0.266 361 T C 1.727 176.602 174.700 0.292 0.000 1.037 361 T CA 1.638 63.873 62.100 0.226 0.000 1.146 361 T CB -0.287 68.659 68.868 0.130 0.000 0.865 361 T HN 0.391 nan 8.240 nan 0.000 0.435 362 L N 0.321 121.661 121.223 0.194 0.000 2.083 362 L HA 0.108 4.448 4.340 -0.001 0.000 0.209 362 L C 2.147 179.125 176.870 0.181 0.000 1.083 362 L CA 1.563 56.550 54.840 0.246 0.000 0.752 362 L CB -1.172 40.939 42.059 0.086 0.000 0.899 362 L HN 0.161 nan 8.230 nan 0.000 0.433 363 L N -0.780 120.522 121.223 0.133 0.000 2.056 363 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 363 L C 2.671 179.622 176.870 0.134 0.000 1.078 363 L CA 1.141 56.005 54.840 0.040 0.000 0.749 363 L CB -0.533 41.578 42.059 0.088 0.000 0.901 363 L HN 0.331 nan 8.230 nan 0.000 0.433 364 L N -1.710 119.713 121.223 0.332 0.000 2.046 364 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 364 L C 2.594 179.599 176.870 0.224 0.000 1.077 364 L CA 1.438 56.492 54.840 0.358 0.000 0.747 364 L CB -0.573 41.647 42.059 0.269 0.000 0.896 364 L HN 0.147 nan 8.230 nan 0.000 0.432 365 Y N 0.350 120.674 120.300 0.040 0.000 2.163 365 Y HA -0.221 4.328 4.550 -0.001 0.000 0.288 365 Y C 2.633 178.417 175.900 -0.193 0.000 1.136 365 Y CA 1.403 59.429 58.100 -0.123 0.000 1.147 365 Y CB -0.239 38.024 38.460 -0.328 0.000 0.987 365 Y HN 0.179 nan 8.280 nan 0.000 0.509 366 E N -1.038 119.136 120.200 -0.043 0.000 2.150 366 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 366 E C 1.857 178.415 176.600 -0.071 0.000 0.985 366 E CA 0.925 57.230 56.400 -0.157 0.000 0.814 366 E CB -0.348 29.094 29.700 -0.430 0.000 0.752 366 E HN 0.413 nan 8.360 nan 0.000 0.466 367 F N 2.302 122.130 119.950 -0.203 0.000 2.102 367 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 367 F C 2.246 177.967 175.800 -0.133 0.000 1.105 367 F CA 1.618 59.481 58.000 -0.229 0.000 1.239 367 F CB -0.026 38.803 39.000 -0.285 0.000 0.991 367 F HN -0.236 nan 8.300 nan 0.000 0.474 368 K N 0.259 120.596 120.400 -0.105 0.000 2.026 368 K HA -0.151 4.168 4.320 -0.001 0.000 0.208 368 K C 2.257 178.729 176.600 -0.213 0.000 1.048 368 K CA 1.298 57.460 56.287 -0.208 0.000 0.929 368 K CB -0.514 31.934 32.500 -0.087 0.000 0.713 368 K HN 0.314 nan 8.250 nan 0.000 0.439 369 A N 0.746 123.495 122.820 -0.119 0.000 1.877 369 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 369 A C 2.385 179.931 177.584 -0.064 0.000 1.186 369 A CA 2.036 54.037 52.037 -0.058 0.000 0.620 369 A CB -1.286 17.729 19.000 0.024 0.000 0.822 369 A HN 0.570 nan 8.150 nan 0.000 0.443 370 G N -0.592 108.172 108.800 -0.061 0.000 2.402 370 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.216 370 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.216 370 G C 1.491 176.276 174.900 -0.190 0.000 1.162 370 G CA 1.104 46.178 45.100 -0.045 0.000 0.777 370 G HN 0.447 nan 8.290 nan 0.000 0.539 371 L N 0.709 121.660 121.223 -0.454 0.000 2.056 371 L HA 0.048 4.387 4.340 -0.001 0.000 0.207 371 L C 2.656 179.124 176.870 -0.670 0.000 1.078 371 L CA 1.891 56.295 54.840 -0.727 0.000 0.749 371 L CB -0.477 40.898 42.059 -1.140 0.000 0.901 371 L HN 0.335 nan 8.230 nan 0.000 0.433 372 E N -0.828 119.147 120.200 -0.374 0.000 2.150 372 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 372 E C 2.243 178.821 176.600 -0.037 0.000 0.985 372 E CA 0.936 57.259 56.400 -0.127 0.000 0.814 372 E CB -0.173 29.492 29.700 -0.058 0.000 0.752 372 E HN 0.457 nan 8.360 nan 0.000 0.466 373 R N 0.269 120.737 120.500 -0.054 0.000 2.092 373 R HA -0.179 4.160 4.340 -0.001 0.000 0.231 373 R C 2.297 178.613 176.300 0.027 0.000 1.119 373 R CA 1.134 57.227 56.100 -0.010 0.000 0.970 373 R CB -0.253 30.042 30.300 -0.009 0.000 0.864 373 R HN 0.200 nan 8.270 nan 0.000 0.440 374 Y N 0.351 120.603 120.300 -0.079 0.000 2.145 374 Y HA -0.213 4.337 4.550 -0.001 0.000 0.286 374 Y C 1.620 177.628 175.900 0.180 0.000 1.145 374 Y CA 1.581 59.712 58.100 0.053 0.000 1.148 374 Y CB -0.368 38.081 38.460 -0.019 0.000 0.981 374 Y HN -0.020 nan 8.280 nan 0.000 0.507 375 F N 1.019 121.087 119.950 0.196 0.000 2.126 375 F HA -0.256 4.270 4.527 -0.001 0.000 0.299 375 F C 2.623 178.380 175.800 -0.072 0.000 1.096 375 F CA 1.523 59.544 58.000 0.036 0.000 1.255 375 F CB -1.367 37.634 39.000 0.003 0.000 0.997 375 F HN 0.310 nan 8.300 nan 0.000 0.479 376 N N -0.009 118.769 118.700 0.130 0.000 2.135 376 N HA -0.147 4.593 4.740 -0.001 0.000 0.186 376 N C 1.644 177.118 175.510 -0.060 0.000 1.027 376 N CA 1.931 54.995 53.050 0.024 0.000 0.849 376 N CB -0.261 38.233 38.487 0.011 0.000 1.002 376 N HN 0.190 nan 8.380 nan 0.000 0.425 377 T N 0.261 114.725 114.554 -0.150 0.000 2.720 377 T HA -0.103 4.247 4.350 -0.001 0.000 0.268 377 T C 1.017 175.446 174.700 -0.452 0.000 1.037 377 T CA 1.118 63.018 62.100 -0.333 0.000 1.144 377 T CB -0.300 68.280 68.868 -0.480 0.000 0.864 377 T HN 0.421 nan 8.240 nan 0.000 0.444 378 H N 0.391 119.385 119.070 -0.127 0.000 2.520 378 H HA 0.338 4.893 4.556 -0.001 0.000 0.284 378 H C 0.254 175.662 175.328 0.133 0.000 1.037 378 H CA -0.115 55.921 56.048 -0.021 0.000 1.168 378 H CB 0.177 29.887 29.762 -0.086 0.000 1.497 378 H HN 0.296 nan 8.280 nan 0.000 0.547 379 R N 0.666 121.226 120.500 0.101 0.000 3.188 379 R HA -0.141 4.198 4.340 -0.001 0.000 0.247 379 R C 0.129 176.461 176.300 0.054 0.000 0.918 379 R CA 0.325 56.469 56.100 0.073 0.000 0.629 379 R CB -1.516 28.830 30.300 0.076 0.000 1.087 379 R HN 0.330 nan 8.270 nan 0.000 0.462 380 A N 1.737 124.464 122.820 -0.155 0.000 2.346 380 A HA 0.356 4.676 4.320 -0.001 0.000 0.252 380 A C -0.643 176.693 177.584 -0.413 0.000 1.089 380 A CA -0.920 50.726 52.037 -0.652 0.000 0.797 380 A CB 0.116 18.596 19.000 -0.868 0.000 1.047 380 A HN 0.207 nan 8.150 nan 0.000 0.494 381 P HA 0.020 nan 4.420 nan 0.000 0.230 381 P C -0.132 176.976 177.300 -0.321 0.000 1.158 381 P CA 1.003 63.946 63.100 -0.261 0.000 0.769 381 P CB 0.052 31.637 31.700 -0.192 0.000 0.807 382 L N -0.068 120.822 121.223 -0.555 0.000 2.346 382 L HA 0.417 4.756 4.340 -0.001 0.000 0.274 382 L C 1.289 177.755 176.870 -0.673 0.000 1.007 382 L CA -0.821 53.647 54.840 -0.621 0.000 0.818 382 L CB 2.157 43.696 42.059 -0.867 0.000 1.284 382 L HN -0.321 nan 8.230 nan 0.000 0.424 383 R N 0.576 120.888 120.500 -0.313 0.000 2.509 383 R HA 0.232 4.572 4.340 -0.001 0.000 0.297 383 R C -0.204 176.159 176.300 0.105 0.000 0.951 383 R CA 0.002 56.058 56.100 -0.074 0.000 1.103 383 R CB 0.747 31.022 30.300 -0.041 0.000 1.283 383 R HN 0.728 nan 8.270 nan 0.000 0.534 384 S N -1.330 114.421 115.700 0.084 0.000 2.596 384 S HA 0.248 4.717 4.470 -0.001 0.000 0.270 384 S C 0.373 175.059 174.600 0.143 0.000 1.155 384 S CA -0.813 57.465 58.200 0.130 0.000 0.827 384 S CB 1.320 64.546 63.200 0.043 0.000 1.130 384 S HN -0.056 nan 8.310 nan 0.000 0.467 385 L N 1.719 122.991 121.223 0.082 0.000 2.141 385 L HA 0.277 4.616 4.340 -0.001 0.000 0.209 385 L C 2.569 179.459 176.870 0.033 0.000 1.094 385 L CA 2.438 57.300 54.840 0.036 0.000 0.763 385 L CB -1.494 40.551 42.059 -0.024 0.000 0.908 385 L HN 0.987 nan 8.230 nan 0.000 0.437 386 A N -0.758 122.079 122.820 0.027 0.000 1.940 386 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 386 A C 1.985 179.589 177.584 0.034 0.000 1.176 386 A CA 1.883 53.935 52.037 0.026 0.000 0.631 386 A CB -0.737 18.274 19.000 0.018 0.000 0.814 386 A HN 0.509 nan 8.150 nan 0.000 0.446 387 D N -0.499 119.915 120.400 0.023 0.000 2.144 387 D HA -0.126 4.513 4.640 -0.001 0.000 0.199 387 D C 1.840 178.174 176.300 0.056 0.000 0.984 387 D CA 1.315 55.327 54.000 0.020 0.000 0.834 387 D CB -0.355 40.416 40.800 -0.049 0.000 0.955 387 D HN 0.381 nan 8.370 nan 0.000 0.465 388 L N 0.811 122.051 121.223 0.029 0.000 2.056 388 L HA -0.053 4.287 4.340 -0.001 0.000 0.207 388 L C 2.121 179.072 176.870 0.136 0.000 1.078 388 L CA 1.260 56.133 54.840 0.055 0.000 0.749 388 L CB -0.534 41.496 42.059 -0.049 0.000 0.901 388 L HN -0.045 nan 8.230 nan 0.000 0.433 389 I N -0.218 120.403 120.570 0.085 0.000 2.226 389 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 389 I C 2.588 178.772 176.117 0.113 0.000 1.100 389 I CA 1.270 62.623 61.300 0.088 0.000 1.374 389 I CB -0.626 37.406 38.000 0.053 0.000 1.057 389 I HN 0.376 nan 8.210 nan 0.000 0.413 390 A N 0.497 123.383 122.820 0.110 0.000 1.902 390 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 390 A C 2.242 179.920 177.584 0.157 0.000 1.181 390 A CA 1.466 53.566 52.037 0.105 0.000 0.623 390 A CB -0.983 18.068 19.000 0.086 0.000 0.818 390 A HN 0.471 nan 8.150 nan 0.000 0.443 391 F N 1.567 121.564 119.950 0.078 0.000 2.102 391 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 391 F C 1.997 177.917 175.800 0.200 0.000 1.105 391 F CA 2.072 60.153 58.000 0.134 0.000 1.239 391 F CB -0.250 38.779 39.000 0.048 0.000 0.991 391 F HN 0.204 nan 8.300 nan 0.000 0.474 392 N N 0.527 119.425 118.700 0.330 0.000 2.166 392 N HA -0.180 4.560 4.740 -0.001 0.000 0.186 392 N C 1.782 177.337 175.510 0.076 0.000 1.019 392 N CA 1.569 54.750 53.050 0.220 0.000 0.856 392 N CB -0.522 38.112 38.487 0.245 0.000 0.993 392 N HN 0.558 nan 8.380 nan 0.000 0.426 393 Q N 0.332 120.167 119.800 0.059 0.000 2.079 393 Q HA 0.060 4.399 4.340 -0.001 0.000 0.200 393 Q C 2.025 177.998 176.000 -0.045 0.000 0.974 393 Q CA 1.381 57.190 55.803 0.011 0.000 0.840 393 Q CB -0.129 28.618 28.738 0.015 0.000 0.898 393 Q HN 0.369 nan 8.270 nan 0.000 0.430 394 A N 0.643 123.420 122.820 -0.072 0.000 2.015 394 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 394 A C 0.557 177.888 177.584 -0.423 0.000 1.163 394 A CA 1.214 53.123 52.037 -0.212 0.000 0.646 394 A CB -0.269 18.609 19.000 -0.205 0.000 0.806 394 A HN 0.352 nan 8.150 nan 0.000 0.448 395 H N -0.944 117.937 119.070 -0.314 0.000 2.481 395 H HA 0.227 4.783 4.556 -0.001 0.000 0.273 395 H C 1.638 176.892 175.328 -0.124 0.000 1.145 395 H CA 0.204 56.091 56.048 -0.268 0.000 0.964 395 H CB 0.196 29.677 29.762 -0.469 0.000 1.722 395 H HN 0.500 nan 8.280 nan 0.000 0.573 396 S N -0.031 115.657 115.700 -0.020 0.000 2.402 396 S HA -0.300 4.169 4.470 -0.001 0.000 0.233 396 S C 2.142 176.748 174.600 0.008 0.000 1.030 396 S CA 1.490 59.690 58.200 -0.000 0.000 1.003 396 S CB 0.151 63.338 63.200 -0.022 0.000 0.813 396 S HN 0.270 nan 8.310 nan 0.000 0.477 397 K N 1.372 121.773 120.400 0.003 0.000 2.063 397 K HA -0.076 4.244 4.320 -0.001 0.000 0.208 397 K C 2.129 178.761 176.600 0.054 0.000 1.048 397 K CA 1.774 58.069 56.287 0.015 0.000 0.928 397 K CB -0.451 32.051 32.500 0.005 0.000 0.713 397 K HN 0.425 nan 8.250 nan 0.000 0.442 398 Q N -0.330 119.525 119.800 0.092 0.000 2.297 398 Q HA 0.106 4.445 4.340 -0.001 0.000 0.203 398 Q C 1.605 177.735 176.000 0.218 0.000 0.931 398 Q CA 0.920 56.813 55.803 0.149 0.000 0.885 398 Q CB 0.390 29.220 28.738 0.152 0.000 0.991 398 Q HN 0.269 nan 8.270 nan 0.000 0.498 399 E N -0.343 119.968 120.200 0.184 0.000 2.201 399 E HA 0.141 4.490 4.350 -0.001 0.000 0.193 399 E C 0.720 177.372 176.600 0.086 0.000 0.957 399 E CA 0.535 57.073 56.400 0.230 0.000 0.858 399 E CB 0.612 30.457 29.700 0.241 0.000 0.816 399 E HN 0.286 nan 8.360 nan 0.000 0.475 400 L N 0.155 121.375 121.223 -0.005 0.000 3.017 400 L HA 0.346 4.685 4.340 -0.001 0.000 0.255 400 L C 1.660 178.442 176.870 -0.146 0.000 1.247 400 L CA -0.129 54.642 54.840 -0.116 0.000 1.038 400 L CB 0.592 42.621 42.059 -0.049 0.000 1.380 400 L HN 0.021 nan 8.230 nan 0.000 0.548 401 G N 0.200 108.910 108.800 -0.150 0.000 2.430 401 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.216 401 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.216 401 G C 1.396 176.183 174.900 -0.188 0.000 1.146 401 G CA 0.361 45.383 45.100 -0.130 0.000 0.793 401 G HN 0.251 nan 8.290 nan 0.000 0.537 402 L N -1.205 119.801 121.223 -0.361 0.000 2.221 402 L HA 0.358 4.698 4.340 -0.001 0.000 0.202 402 L C 0.688 177.538 176.870 -0.033 0.000 1.074 402 L CA 0.288 54.963 54.840 -0.274 0.000 0.795 402 L CB -0.044 41.708 42.059 -0.513 0.000 0.960 402 L HN 0.349 nan 8.230 nan 0.000 0.458 403 F N -2.674 117.159 119.950 -0.196 0.000 2.745 403 F HA 0.742 5.269 4.527 -0.001 0.000 0.316 403 F C 0.206 175.981 175.800 -0.041 0.000 1.155 403 F CA -1.161 56.779 58.000 -0.100 0.000 0.937 403 F CB 0.166 39.114 39.000 -0.087 0.000 1.361 403 F HN -0.183 nan 8.300 nan 0.000 0.472 404 G N -0.256 108.634 108.800 0.150 0.000 2.531 404 G HA2 0.488 4.447 3.960 -0.001 0.000 0.253 404 G HA3 0.488 4.447 3.960 -0.001 0.000 0.253 404 G C -0.908 174.058 174.900 0.111 0.000 1.439 404 G CA -0.231 44.908 45.100 0.065 0.000 1.056 404 G HN 0.969 nan 8.290 nan 0.000 0.555 405 Q N -1.268 118.578 119.800 0.076 0.000 2.227 405 Q HA 0.315 4.654 4.340 -0.001 0.000 0.332 405 Q C 0.180 176.192 176.000 0.020 0.000 0.878 405 Q CA -0.139 55.709 55.803 0.074 0.000 1.120 405 Q CB 0.755 29.538 28.738 0.073 0.000 1.315 405 Q HN 0.477 nan 8.270 nan 0.000 0.414 406 E N 0.948 121.151 120.200 0.006 0.000 2.160 406 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 406 E C 1.474 178.018 176.600 -0.092 0.000 0.991 406 E CA 1.342 57.721 56.400 -0.035 0.000 0.810 406 E CB 0.027 29.706 29.700 -0.035 0.000 0.742 406 E HN 0.469 nan 8.360 nan 0.000 0.466 407 L N 0.098 121.217 121.223 -0.172 0.000 2.109 407 L HA -0.114 4.225 4.340 -0.001 0.000 0.207 407 L C 2.271 179.014 176.870 -0.212 0.000 1.086 407 L CA 0.808 55.444 54.840 -0.340 0.000 0.760 407 L CB -0.466 41.154 42.059 -0.733 0.000 0.910 407 L HN 0.196 nan 8.230 nan 0.000 0.437 408 L N -0.738 120.420 121.223 -0.108 0.000 2.046 408 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 408 L C 2.590 179.487 176.870 0.045 0.000 1.077 408 L CA 0.904 55.767 54.840 0.039 0.000 0.747 408 L CB -0.611 41.469 42.059 0.035 0.000 0.896 408 L HN 0.078 nan 8.230 nan 0.000 0.432 409 V N -0.098 119.819 119.914 0.005 0.000 2.295 409 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 409 V C 2.461 178.554 176.094 -0.003 0.000 1.049 409 V CA 1.965 64.268 62.300 0.005 0.000 1.024 409 V CB -0.430 31.391 31.823 -0.002 0.000 0.648 409 V HN 0.473 nan 8.190 nan 0.000 0.447 410 E N -0.100 120.088 120.200 -0.020 0.000 2.072 410 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 410 E C 2.280 178.876 176.600 -0.007 0.000 0.985 410 E CA 1.157 57.545 56.400 -0.021 0.000 0.801 410 E CB -0.206 29.473 29.700 -0.036 0.000 0.750 410 E HN 0.567 nan 8.360 nan 0.000 0.452 411 A N 1.085 123.931 122.820 0.044 0.000 1.902 411 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 411 A C 1.880 179.479 177.584 0.026 0.000 1.181 411 A CA 1.939 54.042 52.037 0.110 0.000 0.623 411 A CB -0.608 18.623 19.000 0.386 0.000 0.818 411 A HN 0.319 nan 8.150 nan 0.000 0.443 412 D N -0.449 119.970 120.400 0.032 0.000 2.263 412 D HA 0.048 4.687 4.640 -0.001 0.000 0.208 412 D C 1.634 177.907 176.300 -0.045 0.000 0.971 412 D CA 1.132 55.128 54.000 -0.006 0.000 0.867 412 D CB -0.102 40.704 40.800 0.009 0.000 0.929 412 D HN 0.363 nan 8.370 nan 0.000 0.492 413 A N -0.359 122.427 122.820 -0.058 0.000 2.275 413 A HA 0.152 4.471 4.320 -0.001 0.000 0.212 413 A C 1.063 178.565 177.584 -0.136 0.000 1.201 413 A CA 0.444 52.438 52.037 -0.071 0.000 0.843 413 A CB -0.680 18.294 19.000 -0.044 0.000 0.873 413 A HN 0.320 nan 8.150 nan 0.000 0.492 414 T N -2.766 111.639 114.554 -0.250 0.000 2.926 414 T HA 0.433 4.783 4.350 -0.001 0.000 0.307 414 T C 1.010 175.492 174.700 -0.365 0.000 1.059 414 T CA -0.014 61.763 62.100 -0.538 0.000 1.122 414 T CB 1.484 69.711 68.868 -1.068 0.000 0.972 414 T HN 0.492 nan 8.240 nan 0.000 0.545 415 A N 1.935 124.595 122.820 -0.267 0.000 2.235 415 A HA 0.578 4.897 4.320 -0.001 0.000 0.208 415 A C 1.394 179.015 177.584 0.062 0.000 1.172 415 A CA 0.405 52.438 52.037 -0.006 0.000 0.786 415 A CB -1.246 17.831 19.000 0.128 0.000 0.804 415 A HN 2.115 nan 8.150 nan 0.000 0.479 416 G N -2.063 106.764 108.800 0.046 0.000 2.555 416 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.686 416 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.686 416 G C 0.162 175.181 174.900 0.198 0.000 1.275 416 G CA -0.397 44.759 45.100 0.093 0.000 0.871 416 G HN 0.415 nan 8.290 nan 0.000 0.603 417 L N 0.271 121.529 121.223 0.060 0.000 2.622 417 L HA 0.192 4.532 4.340 -0.001 0.000 0.233 417 L C 2.754 179.766 176.870 0.235 0.000 1.156 417 L CA 1.392 56.247 54.840 0.025 0.000 0.866 417 L CB -0.452 41.639 42.059 0.055 0.000 0.980 417 L HN 0.824 nan 8.230 nan 0.000 0.448 418 A N -1.498 121.426 122.820 0.174 0.000 2.238 418 A HA -0.031 4.288 4.320 -0.001 0.000 0.210 418 A C 0.771 178.446 177.584 0.152 0.000 1.179 418 A CA -0.143 51.984 52.037 0.151 0.000 0.827 418 A CB -0.152 18.907 19.000 0.099 0.000 0.856 418 A HN 0.225 nan 8.150 nan 0.000 0.488 419 D N 0.536 121.052 120.400 0.194 0.000 2.450 419 D HA 0.107 4.746 4.640 -0.001 0.000 0.247 419 D C -1.638 174.722 176.300 0.100 0.000 1.162 419 D CA -1.523 52.575 54.000 0.164 0.000 0.879 419 D CB 1.199 42.152 40.800 0.254 0.000 1.163 419 D HN 0.013 nan 8.370 nan 0.000 0.472 420 P HA -0.133 nan 4.420 nan 0.000 0.216 420 P C 0.898 178.182 177.300 -0.027 0.000 1.150 420 P CA 1.558 64.668 63.100 0.016 0.000 0.837 420 P CB 0.199 31.912 31.700 0.020 0.000 0.786 421 A N -1.224 121.584 122.820 -0.020 0.000 1.902 421 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 421 A C 2.288 179.777 177.584 -0.159 0.000 1.181 421 A CA 1.594 53.596 52.037 -0.058 0.000 0.623 421 A CB -1.879 17.116 19.000 -0.007 0.000 0.818 421 A HN 0.203 nan 8.150 nan 0.000 0.443 422 Y N 0.545 120.611 120.300 -0.391 0.000 2.163 422 Y HA -0.150 4.400 4.550 -0.001 0.000 0.288 422 Y C 1.940 177.700 175.900 -0.233 0.000 1.136 422 Y CA 1.513 59.292 58.100 -0.534 0.000 1.147 422 Y CB -0.405 37.556 38.460 -0.832 0.000 0.987 422 Y HN 0.250 nan 8.280 nan 0.000 0.509 423 I N 0.310 120.622 120.570 -0.430 0.000 2.151 423 I HA -0.366 3.803 4.170 -0.001 0.000 0.243 423 I C 2.571 178.498 176.117 -0.318 0.000 1.080 423 I CA 1.763 62.820 61.300 -0.404 0.000 1.339 423 I CB -0.440 37.484 38.000 -0.127 0.000 1.039 423 I HN 0.216 nan 8.210 nan 0.000 0.409 424 R N 0.502 120.876 120.500 -0.210 0.000 2.092 424 R HA -0.095 4.245 4.340 -0.001 0.000 0.231 424 R C 2.464 178.669 176.300 -0.159 0.000 1.119 424 R CA 1.358 57.373 56.100 -0.143 0.000 0.970 424 R CB -0.391 29.857 30.300 -0.086 0.000 0.864 424 R HN 0.372 nan 8.270 nan 0.000 0.440 425 A N 1.221 123.920 122.820 -0.202 0.000 1.902 425 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 425 A C 2.133 179.603 177.584 -0.189 0.000 1.181 425 A CA 1.339 53.282 52.037 -0.157 0.000 0.623 425 A CB -0.468 18.453 19.000 -0.132 0.000 0.818 425 A HN 0.230 nan 8.150 nan 0.000 0.443 426 R N -0.485 119.801 120.500 -0.356 0.000 2.083 426 R HA -0.137 4.203 4.340 -0.001 0.000 0.237 426 R C 2.502 178.693 176.300 -0.183 0.000 1.137 426 R CA 1.910 57.822 56.100 -0.315 0.000 0.951 426 R CB -0.381 29.605 30.300 -0.524 0.000 0.851 426 R HN 0.497 nan 8.270 nan 0.000 0.434 427 S N 0.233 115.830 115.700 -0.173 0.000 2.355 427 S HA -0.134 4.335 4.470 -0.001 0.000 0.222 427 S C 1.373 175.931 174.600 -0.070 0.000 1.031 427 S CA 1.570 59.709 58.200 -0.101 0.000 0.993 427 S CB -0.279 62.868 63.200 -0.088 0.000 0.859 427 S HN 0.393 nan 8.310 nan 0.000 0.453 428 D N 1.452 121.814 120.400 -0.064 0.000 2.117 428 D HA -0.032 4.607 4.640 -0.001 0.000 0.197 428 D C 2.258 178.560 176.300 0.002 0.000 0.987 428 D CA 1.328 55.314 54.000 -0.023 0.000 0.829 428 D CB -0.655 40.137 40.800 -0.013 0.000 0.961 428 D HN 0.498 nan 8.370 nan 0.000 0.460 429 A N 1.196 124.010 122.820 -0.010 0.000 1.883 429 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 429 A C 2.208 179.734 177.584 -0.098 0.000 1.186 429 A CA 1.915 53.956 52.037 0.006 0.000 0.624 429 A CB -0.441 18.546 19.000 -0.022 0.000 0.822 429 A HN 0.053 nan 8.150 nan 0.000 0.444 430 R N 0.085 120.511 120.500 -0.123 0.000 2.081 430 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 430 R C 2.283 178.494 176.300 -0.149 0.000 1.131 430 R CA 2.062 58.061 56.100 -0.168 0.000 0.960 430 R CB -0.678 29.553 30.300 -0.115 0.000 0.856 430 R HN 0.584 nan 8.270 nan 0.000 0.436 431 R N -0.219 120.236 120.500 -0.075 0.000 2.075 431 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 431 R C 2.207 178.496 176.300 -0.017 0.000 1.126 431 R CA 1.589 57.667 56.100 -0.038 0.000 0.963 431 R CB -0.309 29.984 30.300 -0.012 0.000 0.858 431 R HN 0.282 nan 8.270 nan 0.000 0.435 432 L N 0.004 121.243 121.223 0.027 0.000 2.093 432 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 432 L C 2.570 179.526 176.870 0.142 0.000 1.085 432 L CA 1.310 56.229 54.840 0.131 0.000 0.755 432 L CB -0.362 41.849 42.059 0.252 0.000 0.904 432 L HN 0.325 nan 8.230 nan 0.000 0.435 433 A N -0.594 122.162 122.820 -0.107 0.000 2.030 433 A HA 0.163 4.482 4.320 -0.001 0.000 0.215 433 A C 2.043 179.380 177.584 -0.412 0.000 1.164 433 A CA 1.082 52.835 52.037 -0.473 0.000 0.697 433 A CB -0.518 17.848 19.000 -1.056 0.000 0.827 433 A HN 0.394 nan 8.150 nan 0.000 0.457 434 G N -0.418 108.147 108.800 -0.392 0.000 2.548 434 G HA2 0.234 4.194 3.960 -0.001 0.000 0.221 434 G HA3 0.234 4.194 3.960 -0.001 0.000 0.221 434 G C -0.842 174.031 174.900 -0.045 0.000 1.796 434 G CA 0.505 45.340 45.100 -0.442 0.000 0.889 434 G HN 0.251 nan 8.290 nan 0.000 0.599 435 P HA -0.091 nan 4.420 nan 0.000 0.216 435 P C 1.193 178.527 177.300 0.057 0.000 1.154 435 P CA 1.483 64.626 63.100 0.071 0.000 0.865 435 P CB 0.038 31.769 31.700 0.052 0.000 0.789 436 E N -1.790 118.433 120.200 0.039 0.000 2.476 436 E HA 0.207 4.557 4.350 -0.001 0.000 0.196 436 E C 1.383 178.027 176.600 0.073 0.000 1.029 436 E CA 0.153 56.585 56.400 0.053 0.000 0.896 436 E CB 0.167 29.896 29.700 0.049 0.000 1.012 436 E HN 0.262 nan 8.360 nan 0.000 0.475 437 G N 1.123 109.962 108.800 0.066 0.000 2.542 437 G HA2 0.096 4.056 3.960 -0.001 0.000 0.208 437 G HA3 0.096 4.056 3.960 -0.001 0.000 0.208 437 G C 1.207 176.158 174.900 0.084 0.000 1.976 437 G CA -0.318 44.841 45.100 0.097 0.000 0.722 437 G HN -0.001 nan 8.290 nan 0.000 0.798 438 I N 1.556 122.159 120.570 0.055 0.000 2.163 438 I HA -0.165 4.004 4.170 -0.001 0.000 0.243 438 I C 2.248 178.450 176.117 0.141 0.000 1.085 438 I CA 1.497 62.861 61.300 0.107 0.000 1.347 438 I CB -0.149 37.945 38.000 0.157 0.000 1.044 438 I HN 0.145 nan 8.210 nan 0.000 0.408 439 D N 0.962 121.467 120.400 0.175 0.000 2.144 439 D HA -0.143 4.497 4.640 -0.001 0.000 0.199 439 D C 2.232 178.590 176.300 0.098 0.000 0.984 439 D CA 1.534 55.621 54.000 0.145 0.000 0.834 439 D CB -0.170 40.726 40.800 0.161 0.000 0.955 439 D HN 0.373 nan 8.370 nan 0.000 0.465 440 A N 1.035 123.908 122.820 0.088 0.000 1.933 440 A HA -0.022 4.297 4.320 -0.001 0.000 0.218 440 A C 2.314 179.947 177.584 0.082 0.000 1.175 440 A CA 2.049 54.129 52.037 0.073 0.000 0.628 440 A CB -0.566 18.474 19.000 0.066 0.000 0.814 440 A HN 0.238 nan 8.150 nan 0.000 0.444 441 A N -0.211 122.666 122.820 0.095 0.000 1.898 441 A HA 0.012 4.332 4.320 -0.001 0.000 0.216 441 A C 2.154 179.811 177.584 0.122 0.000 1.181 441 A CA 1.394 53.497 52.037 0.110 0.000 0.620 441 A CB -0.587 18.468 19.000 0.092 0.000 0.819 441 A HN 0.458 nan 8.150 nan 0.000 0.442 442 L N -0.754 120.529 121.223 0.100 0.000 2.046 442 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 442 L C 3.060 179.982 176.870 0.087 0.000 1.077 442 L CA 1.123 56.017 54.840 0.091 0.000 0.747 442 L CB -0.520 41.584 42.059 0.075 0.000 0.896 442 L HN 0.435 nan 8.230 nan 0.000 0.432 443 A N -0.082 122.781 122.820 0.072 0.000 1.930 443 A HA -0.077 4.243 4.320 -0.001 0.000 0.217 443 A C 2.534 180.134 177.584 0.027 0.000 1.175 443 A CA 1.380 53.446 52.037 0.048 0.000 0.627 443 A CB -0.612 18.412 19.000 0.039 0.000 0.815 443 A HN 0.377 nan 8.150 nan 0.000 0.443 444 A N -1.097 121.744 122.820 0.035 0.000 1.978 444 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 444 A C 1.538 178.975 177.584 -0.245 0.000 1.170 444 A CA 1.913 53.913 52.037 -0.062 0.000 0.636 444 A CB -0.547 18.460 19.000 0.013 0.000 0.810 444 A HN 0.675 nan 8.150 nan 0.000 0.448 445 H N -2.330 116.753 119.070 0.022 0.000 2.649 445 H HA 0.319 4.874 4.556 -0.001 0.000 0.258 445 H C 0.052 175.394 175.328 0.022 0.000 1.165 445 H CA 0.245 56.305 56.048 0.020 0.000 1.006 445 H CB 0.203 29.976 29.762 0.018 0.000 1.743 445 H HN 0.568 nan 8.280 nan 0.000 0.609 446 Q N 1.527 121.382 119.800 0.092 0.000 2.437 446 Q HA -0.190 4.149 4.340 -0.001 0.000 0.354 446 Q C -1.183 174.866 176.000 0.081 0.000 1.402 446 Q CA 0.049 55.893 55.803 0.069 0.000 1.020 446 Q CB -1.050 27.717 28.738 0.048 0.000 1.220 446 Q HN 0.553 nan 8.270 nan 0.000 0.368 447 L N 0.811 122.087 121.223 0.088 0.000 2.375 447 L HA 0.355 4.694 4.340 -0.001 0.000 0.268 447 L C 1.112 178.021 176.870 0.065 0.000 1.058 447 L CA -0.867 54.019 54.840 0.077 0.000 0.803 447 L CB 0.864 42.969 42.059 0.077 0.000 1.212 447 L HN 0.248 nan 8.230 nan 0.000 0.451 448 D N 0.657 121.097 120.400 0.066 0.000 2.355 448 D HA 0.263 4.903 4.640 -0.001 0.000 0.206 448 D C 0.262 176.608 176.300 0.077 0.000 1.010 448 D CA 0.582 54.622 54.000 0.067 0.000 0.875 448 D CB 1.194 42.038 40.800 0.074 0.000 0.966 448 D HN 0.563 nan 8.370 nan 0.000 0.512 449 A N 0.082 122.953 122.820 0.085 0.000 2.566 449 A HA 0.594 4.913 4.320 -0.001 0.000 0.290 449 A C -1.872 175.749 177.584 0.061 0.000 1.071 449 A CA -0.653 51.443 52.037 0.098 0.000 0.658 449 A CB 0.681 19.787 19.000 0.177 0.000 1.285 449 A HN 0.020 nan 8.150 nan 0.000 0.427 450 L N 0.771 122.020 121.223 0.044 0.000 2.346 450 L HA 0.820 5.159 4.340 -0.001 0.000 0.274 450 L C -0.307 176.512 176.870 -0.085 0.000 1.007 450 L CA -1.171 53.662 54.840 -0.012 0.000 0.818 450 L CB 1.834 43.900 42.059 0.012 0.000 1.284 450 L HN 0.843 nan 8.230 nan 0.000 0.424 451 V N -0.373 119.438 119.914 -0.172 0.000 3.040 451 V HA 1.077 5.196 4.120 -0.001 0.000 0.312 451 V C -0.529 175.426 176.094 -0.232 0.000 1.115 451 V CA -0.490 61.613 62.300 -0.328 0.000 0.998 451 V CB 1.723 33.200 31.823 -0.576 0.000 1.042 451 V HN 1.033 nan 8.190 nan 0.000 0.433 452 A N 2.821 125.497 122.820 -0.240 0.000 2.549 452 A HA 0.870 5.189 4.320 -0.001 0.000 0.291 452 A C -3.443 174.053 177.584 -0.148 0.000 1.034 452 A CA -1.121 50.820 52.037 -0.160 0.000 0.655 452 A CB 1.022 19.961 19.000 -0.102 0.000 1.299 452 A HN 0.707 nan 8.150 nan 0.000 0.427 453 P HA 0.252 nan 4.420 nan 0.000 0.268 453 P C 0.781 178.037 177.300 -0.073 0.000 1.205 453 P CA 0.358 63.395 63.100 -0.106 0.000 0.771 453 P CB 0.690 32.321 31.700 -0.115 0.000 0.858 454 T N -0.265 114.270 114.554 -0.031 0.000 2.737 454 T HA -0.031 4.318 4.350 -0.001 0.000 0.265 454 T C 0.914 175.661 174.700 0.078 0.000 1.038 454 T CA 1.588 63.730 62.100 0.070 0.000 1.144 454 T CB -0.153 68.775 68.868 0.099 0.000 0.866 454 T HN 0.570 nan 8.240 nan 0.000 0.434 455 T N -1.650 112.887 114.554 -0.028 0.000 2.658 455 T HA 0.529 4.879 4.350 -0.001 0.000 0.306 455 T C -0.355 174.170 174.700 -0.292 0.000 1.544 455 T CA -0.168 61.868 62.100 -0.107 0.000 0.991 455 T CB 0.759 69.668 68.868 0.070 0.000 1.774 455 T HN 0.224 nan 8.240 nan 0.000 0.479 456 G N 0.230 108.785 108.800 -0.408 0.000 2.509 456 G HA2 0.607 4.567 3.960 -0.001 0.000 0.269 456 G HA3 0.607 4.567 3.960 -0.001 0.000 0.269 456 G C 0.354 175.093 174.900 -0.268 0.000 1.416 456 G CA 0.056 44.673 45.100 -0.806 0.000 1.052 456 G HN 1.303 nan 8.290 nan 0.000 0.542 457 V N -2.272 117.604 119.914 -0.063 0.000 3.134 457 V HA 0.771 4.890 4.120 -0.001 0.000 0.313 457 V C 0.881 177.116 176.094 0.235 0.000 1.069 457 V CA -0.648 61.711 62.300 0.099 0.000 1.048 457 V CB 0.706 32.619 31.823 0.150 0.000 1.119 457 V HN 1.230 nan 8.190 nan 0.000 0.461 458 A N 2.018 124.908 122.820 0.116 0.000 2.520 458 A HA 0.458 4.778 4.320 -0.001 0.000 0.235 458 A C -0.217 177.528 177.584 0.269 0.000 1.065 458 A CA 0.249 52.288 52.037 0.003 0.000 0.764 458 A CB -0.388 18.570 19.000 -0.070 0.000 1.002 458 A HN 1.433 nan 8.150 nan 0.000 0.502 459 W N 1.031 122.431 121.300 0.167 0.000 2.719 459 W HA 0.688 5.347 4.660 -0.001 0.000 0.352 459 W C -2.802 173.553 176.519 -0.274 0.000 1.085 459 W CA -3.171 54.191 57.345 0.029 0.000 1.187 459 W CB 0.388 29.866 29.460 0.030 0.000 1.417 459 W HN 0.422 nan 8.180 nan 0.000 0.557 460 P HA 0.093 nan 4.420 nan 0.000 0.268 460 P C -0.184 177.071 177.300 -0.075 0.000 1.204 460 P CA 0.267 63.045 63.100 -0.538 0.000 0.768 460 P CB 1.081 32.564 31.700 -0.361 0.000 0.842 461 I N 4.388 124.908 120.570 -0.084 0.000 2.517 461 I HA 0.135 4.305 4.170 -0.001 0.000 0.285 461 I C 1.305 177.460 176.117 0.063 0.000 1.106 461 I CA 0.426 61.753 61.300 0.044 0.000 1.402 461 I CB -0.049 37.973 38.000 0.036 0.000 1.399 461 I HN 0.243 nan 8.210 nan 0.000 0.535 462 R N 3.176 123.734 120.500 0.097 0.000 2.836 462 R HA 0.355 4.694 4.340 -0.001 0.000 0.269 462 R C 0.810 177.136 176.300 0.044 0.000 1.010 462 R CA -0.748 55.387 56.100 0.059 0.000 0.930 462 R CB 1.797 32.127 30.300 0.052 0.000 1.218 462 R HN 0.499 nan 8.270 nan 0.000 0.473 463 S N 0.736 116.449 115.700 0.022 0.000 2.392 463 S HA -0.210 4.260 4.470 -0.001 0.000 0.232 463 S C 0.531 175.133 174.600 0.004 0.000 1.041 463 S CA 1.552 59.755 58.200 0.006 0.000 1.026 463 S CB -0.438 62.763 63.200 0.000 0.000 0.845 463 S HN 0.603 nan 8.310 nan 0.000 0.465 464 E N 1.269 121.472 120.200 0.005 0.000 2.410 464 E HA 0.391 4.740 4.350 -0.001 0.000 0.255 464 E C 0.823 177.409 176.600 -0.024 0.000 1.194 464 E CA -0.333 56.061 56.400 -0.011 0.000 0.955 464 E CB 0.116 29.809 29.700 -0.012 0.000 0.988 464 E HN 0.204 nan 8.360 nan 0.000 0.461 465 G N 0.492 109.256 108.800 -0.060 0.000 2.712 465 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.258 465 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.258 465 G C -0.295 174.562 174.900 -0.072 0.000 1.241 465 G CA -0.512 44.529 45.100 -0.099 0.000 0.923 465 G HN 0.566 nan 8.290 nan 0.000 0.548 466 D N -0.415 119.936 120.400 -0.082 0.000 2.423 466 D HA 0.062 4.701 4.640 -0.001 0.000 0.238 466 D C 0.039 176.063 176.300 -0.460 0.000 1.142 466 D CA 0.309 54.216 54.000 -0.155 0.000 0.884 466 D CB 1.166 41.919 40.800 -0.079 0.000 1.199 466 D HN 0.298 nan 8.370 nan 0.000 0.438 467 D N 2.059 121.879 120.400 -0.967 0.000 2.639 467 D HA 0.009 4.649 4.640 -0.001 0.000 0.233 467 D C -0.556 175.236 176.300 -0.846 0.000 1.161 467 D CA -0.635 52.962 54.000 -0.673 0.000 1.003 467 D CB -0.610 39.944 40.800 -0.410 0.000 1.034 467 D HN 0.111 nan 8.370 nan 0.000 0.514 468 F N 3.710 123.205 119.950 -0.759 0.000 2.571 468 F HA 0.117 4.643 4.527 -0.001 0.000 0.390 468 F C -0.986 174.647 175.800 -0.278 0.000 1.043 468 F CA -1.550 56.115 58.000 -0.560 0.000 1.164 468 F CB 0.886 39.697 39.000 -0.315 0.000 1.049 468 F HN 0.242 nan 8.300 nan 0.000 0.552 469 P HA 0.271 nan 4.420 nan 0.000 0.235 469 P C 0.121 177.110 177.300 -0.518 0.000 1.177 469 P CA 0.965 63.855 63.100 -0.349 0.000 0.785 469 P CB 0.412 32.076 31.700 -0.060 0.000 0.885 470 G N 0.359 108.445 108.800 -1.190 0.000 2.347 470 G HA2 0.289 4.249 3.960 -0.001 0.000 0.477 470 G HA3 0.289 4.249 3.960 -0.001 0.000 0.477 470 G C -1.930 172.566 174.900 -0.673 0.000 1.349 470 G CA -0.390 44.230 45.100 -0.799 0.000 1.000 470 G HN 0.441 nan 8.290 nan 0.000 0.605 471 E N -2.224 117.774 120.200 -0.338 0.000 2.445 471 E HA 0.769 5.118 4.350 -0.001 0.000 0.279 471 E C 0.098 176.488 176.600 -0.350 0.000 1.018 471 E CA -0.130 56.015 56.400 -0.424 0.000 0.816 471 E CB 1.265 30.468 29.700 -0.829 0.000 1.356 471 E HN 1.497 nan 8.360 nan 0.000 0.462 472 S N -1.232 114.243 115.700 -0.375 0.000 2.893 472 S HA 0.123 4.592 4.470 -0.001 0.000 0.258 472 S C 0.212 174.771 174.600 -0.068 0.000 1.034 472 S CA -0.008 58.101 58.200 -0.152 0.000 1.167 472 S CB -0.616 62.540 63.200 -0.074 0.000 1.137 472 S HN 0.597 nan 8.310 nan 0.000 0.650 473 Y N -0.160 120.191 120.300 0.084 0.000 2.449 473 Y HA 0.583 5.133 4.550 -0.001 0.000 0.254 473 Y C 1.745 177.678 175.900 0.055 0.000 1.140 473 Y CA -0.357 57.781 58.100 0.063 0.000 1.272 473 Y CB -0.560 37.938 38.460 0.064 0.000 1.114 473 Y HN 0.167 nan 8.280 nan 0.000 0.525 474 S N 1.060 116.816 115.700 0.094 0.000 2.399 474 S HA -0.161 4.309 4.470 -0.001 0.000 0.231 474 S C 2.343 176.912 174.600 -0.052 0.000 1.022 474 S CA 1.273 59.587 58.200 0.190 0.000 0.983 474 S CB -0.543 62.821 63.200 0.273 0.000 0.803 474 S HN 0.702 nan 8.310 nan 0.000 0.480 475 A N 1.706 124.477 122.820 -0.081 0.000 1.883 475 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 475 A C 2.375 179.709 177.584 -0.417 0.000 1.186 475 A CA 1.841 53.580 52.037 -0.497 0.000 0.624 475 A CB -1.164 17.750 19.000 -0.144 0.000 0.822 475 A HN 0.530 nan 8.150 nan 0.000 0.444 476 A N -0.273 122.456 122.820 -0.152 0.000 1.902 476 A HA 0.164 4.483 4.320 -0.001 0.000 0.217 476 A C 2.526 180.026 177.584 -0.140 0.000 1.181 476 A CA 2.174 54.154 52.037 -0.095 0.000 0.623 476 A CB -1.061 17.963 19.000 0.040 0.000 0.818 476 A HN 1.084 nan 8.150 nan 0.000 0.443 477 A N -0.540 122.225 122.820 -0.090 0.000 1.877 477 A HA -0.034 4.285 4.320 -0.001 0.000 0.216 477 A C 2.218 179.683 177.584 -0.197 0.000 1.186 477 A CA 1.942 53.926 52.037 -0.088 0.000 0.620 477 A CB -0.983 18.024 19.000 0.011 0.000 0.822 477 A HN 0.444 nan 8.150 nan 0.000 0.443 478 V N -0.330 119.377 119.914 -0.344 0.000 2.427 478 V HA -0.159 3.961 4.120 -0.001 0.000 0.248 478 V C 2.917 178.737 176.094 -0.456 0.000 1.051 478 V CA 1.716 63.752 62.300 -0.441 0.000 1.048 478 V CB -1.078 30.274 31.823 -0.785 0.000 0.666 478 V HN 0.600 nan 8.190 nan 0.000 0.456 479 A N -0.362 122.113 122.820 -0.575 0.000 2.066 479 A HA 0.285 4.604 4.320 -0.001 0.000 0.218 479 A C 2.066 179.343 177.584 -0.512 0.000 1.157 479 A CA 1.253 52.852 52.037 -0.729 0.000 0.670 479 A CB -0.582 17.660 19.000 -1.262 0.000 0.804 479 A HN 1.278 nan 8.150 nan 0.000 0.453 480 G N -2.661 105.969 108.800 -0.283 0.000 2.137 480 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.237 480 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.237 480 G C -0.144 174.777 174.900 0.034 0.000 1.002 480 G CA 0.309 45.342 45.100 -0.111 0.000 0.702 480 G HN 0.343 nan 8.290 nan 0.000 0.515 481 Y N 0.535 120.712 120.300 -0.205 0.000 2.403 481 Y HA 0.553 5.103 4.550 -0.001 0.000 0.323 481 Y C -1.593 174.213 175.900 -0.157 0.000 1.226 481 Y CA -3.231 54.743 58.100 -0.210 0.000 1.235 481 Y CB 0.930 39.294 38.460 -0.161 0.000 1.248 481 Y HN 0.023 nan 8.280 nan 0.000 0.489 482 P HA 0.171 nan 4.420 nan 0.000 0.275 482 P C -0.915 176.408 177.300 0.038 0.000 1.228 482 P CA -0.189 62.902 63.100 -0.016 0.000 0.786 482 P CB 1.408 33.075 31.700 -0.055 0.000 0.927 483 S N 2.686 118.409 115.700 0.039 0.000 2.564 483 S HA 0.773 5.243 4.470 -0.001 0.000 0.274 483 S C -1.136 173.506 174.600 0.070 0.000 1.124 483 S CA -0.874 57.373 58.200 0.078 0.000 0.869 483 S CB 1.672 64.924 63.200 0.086 0.000 1.105 483 S HN 0.533 nan 8.310 nan 0.000 0.472 484 L N 1.513 122.809 121.223 0.122 0.000 2.543 484 L HA 0.658 4.997 4.340 -0.001 0.000 0.265 484 L C -1.095 175.889 176.870 0.190 0.000 0.945 484 L CA -0.077 54.828 54.840 0.109 0.000 0.869 484 L CB 2.225 44.319 42.059 0.059 0.000 1.294 484 L HN 0.959 nan 8.230 nan 0.000 0.405 485 T N 3.491 118.128 114.554 0.138 0.000 2.855 485 T HA 0.750 5.100 4.350 -0.001 0.000 0.281 485 T C -1.102 173.694 174.700 0.160 0.000 1.007 485 T CA -0.314 61.881 62.100 0.158 0.000 1.009 485 T CB 1.269 70.194 68.868 0.095 0.000 0.983 485 T HN 0.327 nan 8.240 nan 0.000 0.455 486 V N 7.027 127.067 119.914 0.211 0.000 2.656 486 V HA 0.458 4.577 4.120 -0.001 0.000 0.307 486 V C -2.381 173.837 176.094 0.206 0.000 1.051 486 V CA -2.280 60.154 62.300 0.223 0.000 0.893 486 V CB 1.965 33.994 31.823 0.343 0.000 0.999 486 V HN 0.777 nan 8.190 nan 0.000 0.426 487 P HA 0.122 nan 4.420 nan 0.000 0.262 487 P C 0.250 177.661 177.300 0.186 0.000 1.182 487 P CA 0.422 63.592 63.100 0.118 0.000 0.761 487 P CB 0.410 32.158 31.700 0.079 0.000 0.795 488 M N 2.182 121.864 119.600 0.136 0.000 2.304 488 M HA 0.311 4.790 4.480 -0.001 0.000 0.281 488 M C 0.426 176.784 176.300 0.097 0.000 1.014 488 M CA 0.675 56.082 55.300 0.178 0.000 1.054 488 M CB 0.627 33.296 32.600 0.115 0.000 1.551 488 M HN 0.524 nan 8.290 nan 0.000 0.548 489 G N 0.498 109.323 108.800 0.042 0.000 2.332 489 G HA2 0.128 4.087 3.960 -0.001 0.000 0.265 489 G HA3 0.128 4.087 3.960 -0.001 0.000 0.265 489 G C -1.962 172.925 174.900 -0.022 0.000 1.329 489 G CA -0.836 44.273 45.100 0.015 0.000 0.949 489 G HN 0.364 nan 8.290 nan 0.000 0.476 490 Q N -1.091 118.697 119.800 -0.020 0.000 2.456 490 Q HA 0.689 5.029 4.340 -0.001 0.000 0.284 490 Q C -1.201 174.793 176.000 -0.010 0.000 1.061 490 Q CA -0.802 54.977 55.803 -0.040 0.000 0.799 490 Q CB 3.074 31.781 28.738 -0.052 0.000 1.445 490 Q HN 0.506 nan 8.270 nan 0.000 0.411 491 I N 2.009 122.577 120.570 -0.003 0.000 2.411 491 I HA 0.186 4.356 4.170 -0.001 0.000 0.284 491 I C -0.858 175.272 176.117 0.021 0.000 1.012 491 I CA -0.340 60.978 61.300 0.031 0.000 1.119 491 I CB 1.510 39.562 38.000 0.086 0.000 1.261 491 I HN 0.656 nan 8.210 nan 0.000 0.448 492 D N 5.434 125.841 120.400 0.012 0.000 2.708 492 D HA -0.195 4.444 4.640 -0.001 0.000 0.236 492 D C 1.125 177.416 176.300 -0.014 0.000 1.146 492 D CA 1.587 55.589 54.000 0.003 0.000 0.662 492 D CB -0.809 39.998 40.800 0.012 0.000 1.059 492 D HN 1.149 nan 8.370 nan 0.000 0.428 493 G N -1.286 107.505 108.800 -0.015 0.000 2.176 493 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.253 493 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.253 493 G C 0.289 175.166 174.900 -0.038 0.000 0.979 493 G CA 0.417 45.510 45.100 -0.012 0.000 0.641 493 G HN 0.474 nan 8.290 nan 0.000 0.530 494 L N 1.260 122.439 121.223 -0.073 0.000 2.307 494 L HA 0.458 4.797 4.340 -0.001 0.000 0.284 494 L C -2.144 174.610 176.870 -0.193 0.000 1.023 494 L CA -2.365 52.392 54.840 -0.140 0.000 0.810 494 L CB 1.870 43.887 42.059 -0.070 0.000 1.231 494 L HN -0.163 nan 8.230 nan 0.000 0.423 495 P HA 0.062 nan 4.420 nan 0.000 0.266 495 P C -0.954 176.250 177.300 -0.160 0.000 1.195 495 P CA -0.001 62.915 63.100 -0.307 0.000 0.768 495 P CB 0.850 32.261 31.700 -0.482 0.000 0.838 496 V N 2.615 122.465 119.914 -0.105 0.000 2.789 496 V HA 0.753 4.873 4.120 -0.001 0.000 0.311 496 V C 0.500 176.571 176.094 -0.039 0.000 1.073 496 V CA -0.465 61.790 62.300 -0.075 0.000 0.921 496 V CB 2.250 34.033 31.823 -0.066 0.000 1.009 496 V HN 0.716 nan 8.190 nan 0.000 0.426 497 G N 2.122 110.906 108.800 -0.028 0.000 2.511 497 G HA2 0.682 4.641 3.960 -0.001 0.000 0.318 497 G HA3 0.682 4.641 3.960 -0.001 0.000 0.318 497 G C -1.772 173.122 174.900 -0.010 0.000 1.210 497 G CA -0.735 44.372 45.100 0.011 0.000 0.969 497 G HN 0.580 nan 8.290 nan 0.000 0.484 498 L N 0.886 122.108 121.223 -0.001 0.000 2.287 498 L HA 0.676 5.015 4.340 -0.001 0.000 0.287 498 L C -0.672 176.153 176.870 -0.074 0.000 1.022 498 L CA -0.879 53.885 54.840 -0.127 0.000 0.814 498 L CB 1.431 43.315 42.059 -0.291 0.000 1.217 498 L HN 0.403 nan 8.230 nan 0.000 0.420 499 L N 5.324 126.470 121.223 -0.128 0.000 2.307 499 L HA 0.595 4.935 4.340 -0.001 0.000 0.282 499 L C -1.293 175.482 176.870 -0.158 0.000 1.051 499 L CA 0.342 55.171 54.840 -0.018 0.000 0.804 499 L CB 0.857 42.938 42.059 0.036 0.000 1.197 499 L HN 0.473 nan 8.230 nan 0.000 0.431 500 F N 5.435 125.380 119.950 -0.008 0.000 2.482 500 F HA 0.635 5.162 4.527 -0.001 0.000 0.331 500 F C 0.012 175.823 175.800 0.017 0.000 1.115 500 F CA -0.411 57.586 58.000 -0.006 0.000 0.955 500 F CB 1.718 40.716 39.000 -0.003 0.000 1.136 500 F HN 0.296 nan 8.300 nan 0.000 0.452 501 M N 2.280 121.981 119.600 0.169 0.000 2.464 501 M HA 0.739 5.218 4.480 -0.001 0.000 0.308 501 M C -0.070 176.298 176.300 0.114 0.000 1.127 501 M CA -0.562 54.815 55.300 0.128 0.000 0.913 501 M CB 2.626 35.286 32.600 0.100 0.000 1.689 501 M HN 0.758 nan 8.290 nan 0.000 0.445 502 G N 0.296 109.147 108.800 0.085 0.000 2.866 502 G HA2 0.570 4.529 3.960 -0.001 0.000 0.289 502 G HA3 0.570 4.529 3.960 -0.001 0.000 0.289 502 G C -1.282 173.582 174.900 -0.060 0.000 1.396 502 G CA -0.382 44.739 45.100 0.034 0.000 0.848 502 G HN 0.558 nan 8.290 nan 0.000 0.515 503 T N -0.608 113.834 114.554 -0.186 0.000 2.754 503 T HA 0.518 4.867 4.350 -0.001 0.000 0.286 503 T C 1.059 175.302 174.700 -0.762 0.000 0.997 503 T CA 0.562 62.313 62.100 -0.582 0.000 0.982 503 T CB 0.233 68.889 68.868 -0.354 0.000 1.027 503 T HN 1.294 nan 8.240 nan 0.000 0.529 504 A N 1.173 123.244 122.820 -1.248 0.000 2.565 504 A HA 0.246 4.565 4.320 -0.001 0.000 0.237 504 A C 0.375 177.644 177.584 -0.524 0.000 1.053 504 A CA 0.600 52.048 52.037 -0.982 0.000 0.755 504 A CB -1.155 17.288 19.000 -0.928 0.000 0.980 504 A HN 1.142 nan 8.150 nan 0.000 0.506 505 W N 0.263 121.479 121.300 -0.139 0.000 3.160 505 W HA -0.282 4.377 4.660 -0.001 0.000 0.299 505 W C 1.355 177.827 176.519 -0.078 0.000 1.141 505 W CA 0.575 57.869 57.345 -0.085 0.000 0.612 505 W CB -2.122 27.289 29.460 -0.082 0.000 2.186 505 W HN 1.079 nan 8.180 nan 0.000 1.364 506 S N -1.245 114.471 115.700 0.027 0.000 2.660 506 S HA 0.183 4.653 4.470 -0.001 0.000 0.227 506 S C 1.214 175.846 174.600 0.054 0.000 0.948 506 S CA 0.550 58.768 58.200 0.031 0.000 0.948 506 S CB 0.183 63.373 63.200 -0.016 0.000 0.779 506 S HN 0.272 nan 8.310 nan 0.000 0.487 507 E N 2.849 123.096 120.200 0.078 0.000 2.097 507 E HA -0.074 4.275 4.350 -0.001 0.000 0.196 507 E C -0.795 175.895 176.600 0.150 0.000 1.000 507 E CA 1.746 58.191 56.400 0.074 0.000 0.804 507 E CB -1.578 28.141 29.700 0.032 0.000 0.740 507 E HN 0.481 nan 8.360 nan 0.000 0.454 508 P HA -0.204 nan 4.420 nan 0.000 0.215 508 P C 1.099 178.493 177.300 0.157 0.000 1.157 508 P CA 1.500 64.758 63.100 0.264 0.000 0.868 508 P CB 0.050 31.843 31.700 0.156 0.000 0.788 509 K N -0.145 120.316 120.400 0.101 0.000 2.057 509 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 509 K C 2.006 178.637 176.600 0.051 0.000 1.050 509 K CA 1.086 57.417 56.287 0.074 0.000 0.935 509 K CB -0.566 31.971 32.500 0.062 0.000 0.715 509 K HN 0.072 nan 8.250 nan 0.000 0.439 510 L N 0.841 122.087 121.223 0.038 0.000 2.093 510 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 510 L C 2.405 179.222 176.870 -0.087 0.000 1.085 510 L CA 1.007 55.837 54.840 -0.016 0.000 0.755 510 L CB -0.335 41.729 42.059 0.009 0.000 0.904 510 L HN 0.222 nan 8.230 nan 0.000 0.435 511 I N -0.235 120.330 120.570 -0.009 0.000 2.226 511 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 511 I C 2.459 178.591 176.117 0.025 0.000 1.100 511 I CA 1.280 62.582 61.300 0.003 0.000 1.374 511 I CB -0.263 37.779 38.000 0.070 0.000 1.057 511 I HN 0.290 nan 8.210 nan 0.000 0.413 512 E N 0.639 120.868 120.200 0.049 0.000 2.058 512 E HA -0.258 4.091 4.350 -0.001 0.000 0.194 512 E C 2.294 178.938 176.600 0.073 0.000 0.997 512 E CA 1.527 57.974 56.400 0.079 0.000 0.801 512 E CB -0.185 29.562 29.700 0.078 0.000 0.746 512 E HN 0.486 nan 8.360 nan 0.000 0.450 513 M N 0.439 120.035 119.600 -0.007 0.000 2.132 513 M HA -0.112 4.368 4.480 -0.001 0.000 0.263 513 M C 2.564 178.734 176.300 -0.217 0.000 1.065 513 M CA 1.393 56.668 55.300 -0.042 0.000 1.122 513 M CB -0.269 32.328 32.600 -0.005 0.000 1.365 513 M HN 0.120 nan 8.290 nan 0.000 0.411 514 A N -0.412 122.098 122.820 -0.516 0.000 1.902 514 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 514 A C 2.037 179.584 177.584 -0.062 0.000 1.181 514 A CA 1.444 53.122 52.037 -0.598 0.000 0.623 514 A CB -1.076 17.587 19.000 -0.562 0.000 0.818 514 A HN 0.568 nan 8.150 nan 0.000 0.443 515 Y N 0.647 120.891 120.300 -0.094 0.000 2.181 515 Y HA -0.081 4.468 4.550 -0.001 0.000 0.288 515 Y C 2.641 178.548 175.900 0.011 0.000 1.146 515 Y CA 1.203 59.292 58.100 -0.018 0.000 1.164 515 Y CB -0.531 37.923 38.460 -0.009 0.000 0.982 515 Y HN 0.306 nan 8.280 nan 0.000 0.515 516 A N -0.532 122.324 122.820 0.060 0.000 1.902 516 A HA -0.254 4.066 4.320 -0.001 0.000 0.217 516 A C 2.153 179.727 177.584 -0.016 0.000 1.181 516 A CA 1.784 53.823 52.037 0.003 0.000 0.623 516 A CB -1.577 17.483 19.000 0.099 0.000 0.818 516 A HN 0.724 nan 8.150 nan 0.000 0.443 517 Y N 0.525 120.811 120.300 -0.024 0.000 2.163 517 Y HA -0.186 4.363 4.550 -0.001 0.000 0.288 517 Y C 2.338 178.227 175.900 -0.018 0.000 1.136 517 Y CA 2.180 60.303 58.100 0.040 0.000 1.147 517 Y CB -0.406 38.173 38.460 0.199 0.000 0.987 517 Y HN 0.505 nan 8.280 nan 0.000 0.509 518 E N -0.459 119.651 120.200 -0.149 0.000 2.085 518 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 518 E C 1.963 178.370 176.600 -0.322 0.000 0.994 518 E CA 1.524 57.781 56.400 -0.238 0.000 0.801 518 E CB -0.068 29.580 29.700 -0.086 0.000 0.743 518 E HN 0.529 nan 8.360 nan 0.000 0.453 519 Q N -0.063 119.503 119.800 -0.391 0.000 2.291 519 Q HA -0.153 4.186 4.340 -0.001 0.000 0.205 519 Q C 2.047 177.904 176.000 -0.240 0.000 0.970 519 Q CA 1.476 57.063 55.803 -0.359 0.000 0.876 519 Q CB -0.142 28.294 28.738 -0.502 0.000 0.935 519 Q HN 0.494 nan 8.270 nan 0.000 0.455 520 R N -0.514 119.839 120.500 -0.244 0.000 2.362 520 R HA 0.114 4.453 4.340 -0.001 0.000 0.227 520 R C 1.496 177.669 176.300 -0.212 0.000 0.905 520 R CA 1.054 57.045 56.100 -0.182 0.000 1.067 520 R CB 0.037 30.262 30.300 -0.125 0.000 1.078 520 R HN 0.129 nan 8.270 nan 0.000 0.516 521 T N -2.719 111.644 114.554 -0.319 0.000 3.056 521 T HA 0.175 4.524 4.350 -0.001 0.000 0.243 521 T C 0.652 175.241 174.700 -0.185 0.000 0.995 521 T CA -0.530 61.392 62.100 -0.296 0.000 1.091 521 T CB 0.114 68.656 68.868 -0.542 0.000 0.990 521 T HN 0.051 nan 8.240 nan 0.000 0.464 522 R N 1.465 121.855 120.500 -0.183 0.000 3.225 522 R HA -0.141 4.199 4.340 -0.001 0.000 0.245 522 R C 1.090 177.358 176.300 -0.053 0.000 0.928 522 R CA 0.648 56.691 56.100 -0.096 0.000 0.632 522 R CB -2.372 27.884 30.300 -0.073 0.000 1.038 522 R HN 0.732 nan 8.270 nan 0.000 0.461 523 A N 0.384 123.176 122.820 -0.047 0.000 2.119 523 A HA -0.067 4.253 4.320 -0.001 0.000 0.216 523 A C 1.298 178.895 177.584 0.022 0.000 1.152 523 A CA 0.483 52.518 52.037 -0.005 0.000 0.708 523 A CB -0.009 19.003 19.000 0.020 0.000 0.805 523 A HN 0.425 nan 8.150 nan 0.000 0.460 524 R N 0.900 121.420 120.500 0.033 0.000 2.570 524 R HA 0.127 4.467 4.340 -0.001 0.000 0.277 524 R C -0.853 175.489 176.300 0.070 0.000 1.039 524 R CA 0.180 56.315 56.100 0.058 0.000 1.065 524 R CB 0.258 30.602 30.300 0.074 0.000 0.964 524 R HN 0.138 nan 8.270 nan 0.000 0.428 525 R N 5.478 126.042 120.500 0.106 0.000 2.532 525 R HA 0.381 4.721 4.340 -0.001 0.000 0.297 525 R C -2.427 173.993 176.300 0.200 0.000 0.984 525 R CA -2.228 53.944 56.100 0.122 0.000 0.884 525 R CB 1.802 32.166 30.300 0.107 0.000 1.182 525 R HN 0.642 nan 8.270 nan 0.000 0.442 526 P HA 0.150 nan 4.420 nan 0.000 0.270 526 P C -2.397 174.802 177.300 -0.170 0.000 1.223 526 P CA -1.056 62.057 63.100 0.021 0.000 0.785 526 P CB 0.007 31.710 31.700 0.006 0.000 0.923 527 P HA 0.052 nan 4.420 nan 0.000 0.275 527 P C -0.394 176.435 177.300 -0.785 0.000 1.228 527 P CA 0.257 62.708 63.100 -1.082 0.000 0.786 527 P CB 0.479 31.209 31.700 -1.617 0.000 0.927 528 H N 3.080 121.767 119.070 -0.639 0.000 2.552 528 H HA 0.328 4.884 4.556 -0.001 0.000 0.311 528 H C -0.734 174.297 175.328 -0.494 0.000 1.071 528 H CA -0.377 55.411 56.048 -0.434 0.000 1.307 528 H CB 0.013 29.659 29.762 -0.194 0.000 1.416 528 H HN 0.228 nan 8.280 nan 0.000 0.464 529 F N 0.000 119.789 119.950 -0.269 0.000 2.286 529 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 529 F CA 0.000 57.928 58.000 -0.121 0.000 1.383 529 F CB 0.000 38.911 39.000 -0.149 0.000 1.145 529 F HN 0.000 nan 8.300 nan 0.000 0.574