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 1zy8_1_I DATA FIRST_RESID 1 DATA SEQUENCE ADQPIDADVT VIGSGPGGYV AAIKAAQLGF KTVCIEKNET LGGTCLNVGC DATA SEQUENCE IPSKALLNNS HYYHMAHGKD FASRGIEMSE VRLNLDKMME QKSTAVKALT DATA SEQUENCE GGIAHLFKQN KVVHVNGYGK ITGKNQVTAT KADGGTQVID TKNILIATGS DATA SEQUENCE EVTPFPGITI DEDTIVSSTG ALSLKKVPEK MVVIGAGVIG VELGSVWQRL DATA SEQUENCE GADVTAVEFL GHVGGVGIDM EISKNFQRIL QKQGFKFKLN TKVTGATKKS DATA SEQUENCE DGKIDVSIEA ASGGKAEVIT CDVLLVCIGR RPFTKNLGLE ELGIELDPRG DATA SEQUENCE RIPVNTRFQT KIPNIYAIGD VVAGPMLAHK AEDEGIICVE GMAGGAVHID DATA SEQUENCE YNCVPSVIYT HPEVAWVGKS EEQLKEEGIE YKVGKFPFAA NSRAKTNADT DATA SEQUENCE DGMVKILGQK STDRVLGAHI LGPGAGEMVN EAALALEYGA SCEDIARVCH DATA SEQUENCE AHPTLSEAFR EANLAASFGK SINF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.009 0.000 1.274 1 A CA 0.000 52.043 52.037 0.010 0.000 0.836 1 A CB 0.000 19.006 19.000 0.011 0.000 0.831 2 D N 0.751 121.156 120.400 0.008 0.000 2.348 2 D HA -0.053 4.587 4.640 0.000 0.000 0.216 2 D C 0.821 177.125 176.300 0.007 0.000 0.970 2 D CA 1.112 55.117 54.000 0.008 0.000 0.889 2 D CB 0.290 41.095 40.800 0.007 0.000 0.912 2 D HN 0.611 nan 8.370 nan 0.000 0.524 3 Q N 1.367 121.171 119.800 0.007 0.000 2.300 3 Q HA 0.105 4.445 4.340 0.000 0.000 0.280 3 Q C -2.097 173.908 176.000 0.007 0.000 1.033 3 Q CA -1.398 54.409 55.803 0.007 0.000 0.903 3 Q CB 0.193 28.935 28.738 0.007 0.000 1.195 3 Q HN 0.177 nan 8.270 nan 0.000 0.386 4 P HA -0.128 nan 4.420 nan 0.000 0.266 4 P C -0.403 176.903 177.300 0.009 0.000 1.162 4 P CA 0.981 64.086 63.100 0.008 0.000 0.758 4 P CB 0.343 32.048 31.700 0.008 0.000 0.774 5 I N 1.725 122.301 120.570 0.009 0.000 2.525 5 I HA 0.279 4.449 4.170 0.000 0.000 0.301 5 I C 0.408 176.532 176.117 0.012 0.000 0.992 5 I CA -0.526 60.780 61.300 0.010 0.000 1.162 5 I CB 1.558 39.563 38.000 0.008 0.000 1.332 5 I HN 0.191 nan 8.210 nan 0.000 0.458 6 D N 3.948 124.356 120.400 0.013 0.000 2.280 6 D HA 0.680 5.320 4.640 0.000 0.000 0.236 6 D C -0.753 175.558 176.300 0.019 0.000 1.082 6 D CA 0.149 54.158 54.000 0.016 0.000 0.834 6 D CB 1.314 42.123 40.800 0.015 0.000 1.100 6 D HN 0.697 nan 8.370 nan 0.000 0.486 7 A N 2.667 125.502 122.820 0.024 0.000 2.593 7 A HA 0.401 4.721 4.320 0.000 0.000 0.290 7 A C -0.239 177.374 177.584 0.048 0.000 1.126 7 A CA -0.670 51.386 52.037 0.031 0.000 0.695 7 A CB 1.317 20.330 19.000 0.021 0.000 1.290 7 A HN 0.541 nan 8.150 nan 0.000 0.414 8 D N -0.580 119.866 120.400 0.077 0.000 2.366 8 D HA 0.235 4.875 4.640 0.000 0.000 0.205 8 D C -0.247 176.116 176.300 0.105 0.000 1.022 8 D CA 0.904 54.975 54.000 0.118 0.000 0.868 8 D CB 0.977 41.897 40.800 0.200 0.000 0.953 8 D HN 0.160 nan 8.370 nan 0.000 0.514 9 V N 0.875 120.819 119.914 0.050 0.000 2.789 9 V HA 0.200 4.320 4.120 0.000 0.000 0.300 9 V C -0.873 175.198 176.094 -0.038 0.000 1.184 9 V CA -0.561 61.721 62.300 -0.030 0.000 0.930 9 V CB 2.419 34.145 31.823 -0.162 0.000 1.041 9 V HN -0.110 nan 8.190 nan 0.000 0.430 10 T N 4.156 118.694 114.554 -0.028 0.000 2.792 10 T HA 0.622 4.972 4.350 0.000 0.000 0.280 10 T C -0.470 174.218 174.700 -0.019 0.000 0.990 10 T CA -0.495 61.595 62.100 -0.018 0.000 0.960 10 T CB 1.658 70.530 68.868 0.007 0.000 0.939 10 T HN 0.413 nan 8.240 nan 0.000 0.439 11 V N 4.234 124.134 119.914 -0.024 0.000 2.398 11 V HA 0.432 4.552 4.120 0.000 0.000 0.286 11 V C -0.088 176.027 176.094 0.034 0.000 1.026 11 V CA -1.053 61.243 62.300 -0.007 0.000 0.868 11 V CB 1.130 32.940 31.823 -0.023 0.000 0.982 11 V HN 0.728 nan 8.190 nan 0.000 0.443 12 I N 4.802 125.401 120.570 0.048 0.000 2.281 12 I HA 0.677 4.847 4.170 0.000 0.000 0.293 12 I C 0.848 177.015 176.117 0.083 0.000 1.085 12 I CA 0.578 61.921 61.300 0.071 0.000 1.257 12 I CB -0.092 37.956 38.000 0.079 0.000 1.430 12 I HN 1.005 nan 8.210 nan 0.000 0.489 13 G N 4.131 112.990 108.800 0.099 0.000 2.742 13 G HA2 -0.102 3.858 3.960 0.000 0.000 0.686 13 G HA3 -0.102 3.858 3.960 0.000 0.000 0.686 13 G C 0.004 174.995 174.900 0.153 0.000 1.220 13 G CA -0.687 44.476 45.100 0.105 0.000 0.783 13 G HN 0.396 nan 8.290 nan 0.000 0.646 14 S N 0.382 116.171 115.700 0.149 0.000 2.556 14 S HA 0.388 4.858 4.470 0.000 0.000 0.216 14 S C 1.764 176.485 174.600 0.200 0.000 0.970 14 S CA 0.729 59.049 58.200 0.200 0.000 0.912 14 S CB -0.026 63.235 63.200 0.102 0.000 0.790 14 S HN 1.522 nan 8.310 nan 0.000 0.504 15 G N 2.699 111.582 108.800 0.139 0.000 2.771 15 G HA2 0.101 4.061 3.960 0.000 0.000 0.242 15 G HA3 0.101 4.061 3.960 0.000 0.000 0.242 15 G C -2.737 172.312 174.900 0.249 0.000 1.233 15 G CA -0.829 44.350 45.100 0.132 0.000 0.858 15 G HN 0.100 nan 8.290 nan 0.000 0.591 16 P HA 0.217 nan 4.420 nan 0.000 0.244 16 P C 0.752 178.064 177.300 0.020 0.000 1.723 16 P CA 1.145 64.370 63.100 0.209 0.000 1.110 16 P CB 0.169 31.951 31.700 0.137 0.000 1.972 17 G N 0.867 109.636 108.800 -0.052 0.000 4.432 17 G HA2 -0.082 3.878 3.960 0.000 0.000 0.158 17 G HA3 -0.082 3.878 3.960 0.000 0.000 0.158 17 G C 1.328 176.182 174.900 -0.076 0.000 1.637 17 G CA 0.248 45.294 45.100 -0.090 0.000 0.900 17 G HN 0.348 nan 8.290 nan 0.000 0.292 18 G N 0.993 109.804 108.800 0.019 0.000 2.586 18 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 18 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 18 G C 1.707 176.672 174.900 0.110 0.000 1.216 18 G CA 2.549 47.692 45.100 0.072 0.000 0.786 18 G HN 1.136 nan 8.290 nan 0.000 0.583 19 Y N 0.748 121.131 120.300 0.138 0.000 2.373 19 Y HA 0.153 4.703 4.550 0.000 0.000 0.293 19 Y C 2.484 178.516 175.900 0.220 0.000 1.129 19 Y CA 1.199 59.484 58.100 0.308 0.000 1.226 19 Y CB -0.759 37.859 38.460 0.263 0.000 1.000 19 Y HN 0.204 nan 8.280 nan 0.000 0.549 20 V N 0.421 119.850 119.914 -0.808 0.000 2.788 20 V HA 0.167 4.287 4.120 0.000 0.000 0.251 20 V C 2.228 178.135 176.094 -0.311 0.000 1.068 20 V CA 1.389 63.240 62.300 -0.749 0.000 1.090 20 V CB -0.748 30.615 31.823 -0.767 0.000 0.710 20 V HN 0.467 nan 8.190 nan 0.000 0.467 21 A N 0.635 123.315 122.820 -0.233 0.000 1.929 21 A HA 0.217 4.537 4.320 0.000 0.000 0.216 21 A C 2.469 179.954 177.584 -0.164 0.000 1.176 21 A CA 1.739 53.666 52.037 -0.182 0.000 0.628 21 A CB -0.986 17.912 19.000 -0.170 0.000 0.816 21 A HN 1.005 nan 8.150 nan 0.000 0.444 22 A N -0.188 122.556 122.820 -0.128 0.000 2.019 22 A HA -0.017 4.303 4.320 0.000 0.000 0.219 22 A C 1.942 179.436 177.584 -0.150 0.000 1.164 22 A CA 1.466 53.410 52.037 -0.156 0.000 0.644 22 A CB -0.408 18.483 19.000 -0.182 0.000 0.805 22 A HN 0.459 nan 8.150 nan 0.000 0.449 23 I N -1.395 119.134 120.570 -0.067 0.000 2.703 23 I HA -0.032 4.138 4.170 0.000 0.000 0.259 23 I C 2.060 178.156 176.117 -0.035 0.000 1.151 23 I CA 0.832 62.125 61.300 -0.011 0.000 1.470 23 I CB -0.603 37.450 38.000 0.089 0.000 1.112 23 I HN 0.159 nan 8.210 nan 0.000 0.437 24 K N 1.677 122.033 120.400 -0.073 0.000 2.365 24 K HA 0.074 4.394 4.320 0.000 0.000 0.199 24 K C 1.858 178.424 176.600 -0.056 0.000 1.045 24 K CA 0.820 57.068 56.287 -0.064 0.000 0.962 24 K CB 0.085 32.527 32.500 -0.096 0.000 0.759 24 K HN 0.270 nan 8.250 nan 0.000 0.469 25 A N 0.228 122.990 122.820 -0.098 0.000 1.887 25 A HA 0.127 4.447 4.320 0.000 0.000 0.212 25 A C 2.266 179.936 177.584 0.144 0.000 1.198 25 A CA 1.257 53.224 52.037 -0.115 0.000 0.628 25 A CB -0.512 18.297 19.000 -0.318 0.000 0.847 25 A HN 0.225 nan 8.150 nan 0.000 0.449 26 A N -0.787 122.069 122.820 0.060 0.000 1.969 26 A HA -0.163 4.157 4.320 0.000 0.000 0.218 26 A C 2.074 179.703 177.584 0.074 0.000 1.169 26 A CA 1.677 53.761 52.037 0.079 0.000 0.635 26 A CB -0.532 18.475 19.000 0.012 0.000 0.810 26 A HN 0.595 nan 8.150 nan 0.000 0.445 27 Q N -0.770 119.061 119.800 0.053 0.000 2.181 27 Q HA -0.044 4.296 4.340 0.000 0.000 0.205 27 Q C 1.715 177.753 176.000 0.063 0.000 0.980 27 Q CA 1.156 56.985 55.803 0.044 0.000 0.862 27 Q CB -0.198 28.556 28.738 0.027 0.000 0.905 27 Q HN 0.687 nan 8.270 nan 0.000 0.429 28 L N -2.136 119.163 121.223 0.126 0.000 2.509 28 L HA 0.098 4.438 4.340 0.000 0.000 0.222 28 L C 1.265 178.168 176.870 0.056 0.000 1.123 28 L CA 0.684 55.613 54.840 0.148 0.000 0.856 28 L CB 0.346 42.581 42.059 0.294 0.000 0.985 28 L HN 0.508 nan 8.230 nan 0.000 0.456 29 G N -1.064 107.765 108.800 0.047 0.000 2.617 29 G HA2 -0.221 3.739 3.960 0.000 0.000 0.197 29 G HA3 -0.221 3.739 3.960 0.000 0.000 0.197 29 G C 0.205 175.036 174.900 -0.116 0.000 1.017 29 G CA -0.615 44.429 45.100 -0.093 0.000 0.713 29 G HN 0.048 nan 8.290 nan 0.000 0.481 30 F N 1.949 121.880 119.950 -0.032 0.000 2.628 30 F HA 0.360 4.887 4.527 0.000 0.000 0.362 30 F C 1.204 176.982 175.800 -0.038 0.000 1.148 30 F CA 0.724 58.702 58.000 -0.036 0.000 1.352 30 F CB 0.610 39.581 39.000 -0.050 0.000 1.081 30 F HN -0.037 nan 8.300 nan 0.000 0.605 31 K N 2.562 123.046 120.400 0.139 0.000 2.300 31 K HA 0.232 4.552 4.320 0.000 0.000 0.264 31 K C -0.864 175.769 176.600 0.054 0.000 1.083 31 K CA -0.362 55.965 56.287 0.067 0.000 0.958 31 K CB 0.189 32.710 32.500 0.034 0.000 1.318 31 K HN 0.784 nan 8.250 nan 0.000 0.448 32 T N -0.171 114.393 114.554 0.018 0.000 2.867 32 T HA 0.342 4.692 4.350 0.000 0.000 0.282 32 T C -0.194 174.466 174.700 -0.066 0.000 1.000 32 T CA -0.877 61.203 62.100 -0.033 0.000 1.042 32 T CB 1.966 70.782 68.868 -0.086 0.000 0.973 32 T HN 0.237 nan 8.240 nan 0.000 0.465 33 V N 1.351 121.230 119.914 -0.059 0.000 2.667 33 V HA 0.738 4.858 4.120 0.000 0.000 0.308 33 V C -0.868 175.183 176.094 -0.072 0.000 1.048 33 V CA -0.759 61.504 62.300 -0.061 0.000 0.928 33 V CB 1.351 33.159 31.823 -0.025 0.000 1.004 33 V HN 1.271 nan 8.190 nan 0.000 0.444 34 C N 6.935 126.195 119.300 -0.065 0.000 2.482 34 C HA 0.751 5.211 4.460 0.000 0.000 0.317 34 C C -0.504 174.531 174.990 0.075 0.000 1.197 34 C CA -0.607 58.412 59.018 0.002 0.000 1.432 34 C CB 0.300 28.020 27.740 -0.033 0.000 2.062 34 C HN 0.890 nan 8.230 nan 0.000 0.471 35 I N 3.767 124.379 120.570 0.070 0.000 2.648 35 I HA 0.649 4.819 4.170 0.000 0.000 0.304 35 I C -0.452 175.721 176.117 0.093 0.000 1.009 35 I CA 0.127 61.448 61.300 0.034 0.000 1.114 35 I CB 1.869 39.882 38.000 0.023 0.000 1.293 35 I HN 0.673 nan 8.210 nan 0.000 0.449 36 E N 3.360 123.600 120.200 0.065 0.000 2.291 36 E HA 0.302 4.652 4.350 0.000 0.000 0.276 36 E C -0.224 176.391 176.600 0.026 0.000 0.896 36 E CA -0.745 55.706 56.400 0.085 0.000 0.774 36 E CB 1.293 31.107 29.700 0.190 0.000 1.227 36 E HN 0.499 nan 8.360 nan 0.000 0.413 37 K N 2.668 123.036 120.400 -0.053 0.000 2.002 37 K HA -0.042 4.278 4.320 0.000 0.000 0.209 37 K C 0.653 177.230 176.600 -0.037 0.000 1.048 37 K CA 0.735 56.967 56.287 -0.092 0.000 0.930 37 K CB -0.466 31.850 32.500 -0.306 0.000 0.714 37 K HN 0.279 nan 8.250 nan 0.000 0.438 38 N N 1.631 120.304 118.700 -0.045 0.000 2.329 38 N HA -0.070 4.670 4.740 0.000 0.000 0.237 38 N C 0.193 175.714 175.510 0.018 0.000 1.258 38 N CA 0.236 53.270 53.050 -0.027 0.000 0.866 38 N CB 0.619 39.078 38.487 -0.046 0.000 1.102 38 N HN 0.217 nan 8.380 nan 0.000 0.440 39 E N -0.744 119.459 120.200 0.004 0.000 2.418 39 E HA 0.030 4.380 4.350 0.000 0.000 0.197 39 E C -0.163 176.435 176.600 -0.003 0.000 1.026 39 E CA 0.810 57.219 56.400 0.017 0.000 0.862 39 E CB 0.196 29.896 29.700 0.000 0.000 0.799 39 E HN 0.415 nan 8.360 nan 0.000 0.518 40 T N 0.161 114.698 114.554 -0.029 0.000 2.903 40 T HA 0.517 4.868 4.350 0.000 0.000 0.299 40 T C -0.619 174.025 174.700 -0.092 0.000 1.093 40 T CA -0.922 61.130 62.100 -0.080 0.000 1.002 40 T CB 1.475 70.290 68.868 -0.088 0.000 1.127 40 T HN -0.160 nan 8.240 nan 0.000 0.488 41 L N 0.691 121.812 121.223 -0.170 0.000 2.440 41 L HA 0.872 5.212 4.340 0.000 0.000 0.262 41 L C 1.715 178.451 176.870 -0.223 0.000 1.072 41 L CA -0.082 54.643 54.840 -0.191 0.000 0.798 41 L CB -0.178 41.669 42.059 -0.353 0.000 1.307 41 L HN 0.946 nan 8.230 nan 0.000 0.475 42 G N -1.913 106.752 108.800 -0.225 0.000 2.308 42 G HA2 0.193 4.153 3.960 0.000 0.000 0.221 42 G HA3 0.193 4.153 3.960 0.000 0.000 0.221 42 G C 0.746 175.596 174.900 -0.085 0.000 1.032 42 G CA 0.101 45.057 45.100 -0.240 0.000 0.623 42 G HN 1.737 nan 8.290 nan 0.000 0.506 43 G N -1.112 107.645 108.800 -0.073 0.000 2.488 43 G HA2 0.122 4.082 3.960 0.000 0.000 0.237 43 G HA3 0.122 4.082 3.960 0.000 0.000 0.237 43 G C 1.464 176.330 174.900 -0.056 0.000 1.209 43 G CA 2.331 47.404 45.100 -0.045 0.000 0.929 43 G HN 2.083 nan 8.290 nan 0.000 0.578 44 T N -1.906 112.620 114.554 -0.046 0.000 2.732 44 T HA -0.107 4.243 4.350 0.000 0.000 0.261 44 T C 2.676 177.354 174.700 -0.036 0.000 1.040 44 T CA 2.977 65.048 62.100 -0.048 0.000 1.145 44 T CB -1.067 67.771 68.868 -0.050 0.000 0.866 44 T HN 1.936 nan 8.240 nan 0.000 0.427 45 C N 1.033 120.321 119.300 -0.020 0.000 2.396 45 C HA -0.043 4.417 4.460 0.000 0.000 0.277 45 C C 2.536 177.503 174.990 -0.037 0.000 1.231 45 C CA 1.222 60.230 59.018 -0.016 0.000 1.775 45 C CB -1.814 25.930 27.740 0.008 0.000 2.036 45 C HN 0.694 nan 8.230 nan 0.000 0.484 46 L N 0.757 121.948 121.223 -0.053 0.000 2.298 46 L HA 0.268 4.608 4.340 0.000 0.000 0.209 46 L C 2.039 178.863 176.870 -0.078 0.000 1.084 46 L CA 1.741 56.534 54.840 -0.078 0.000 0.816 46 L CB -0.911 41.075 42.059 -0.121 0.000 0.967 46 L HN 0.327 nan 8.230 nan 0.000 0.460 47 N N -0.702 117.956 118.700 -0.071 0.000 2.415 47 N HA 0.087 4.827 4.740 0.000 0.000 0.174 47 N C 0.787 176.267 175.510 -0.051 0.000 1.048 47 N CA 1.370 54.380 53.050 -0.067 0.000 0.895 47 N CB 1.050 39.494 38.487 -0.072 0.000 1.036 47 N HN 0.358 nan 8.380 nan 0.000 0.449 48 V N -4.274 115.613 119.914 -0.045 0.000 3.823 48 V HA 0.594 4.714 4.120 0.000 0.000 0.511 48 V C 0.313 176.394 176.094 -0.022 0.000 1.722 48 V CA -0.059 62.222 62.300 -0.031 0.000 2.032 48 V CB 0.498 32.300 31.823 -0.035 0.000 1.128 48 V HN 0.083 nan 8.190 nan 0.000 0.581 49 G N -0.707 108.076 108.800 -0.028 0.000 3.324 49 G HA2 0.198 4.158 3.960 0.000 0.000 0.188 49 G HA3 0.198 4.158 3.960 0.000 0.000 0.188 49 G C 0.940 175.821 174.900 -0.033 0.000 1.384 49 G CA 0.630 45.718 45.100 -0.019 0.000 0.841 49 G HN 0.204 nan 8.290 nan 0.000 0.758 50 C N 0.387 119.664 119.300 -0.037 0.000 2.349 50 C HA -0.119 4.341 4.460 0.000 0.000 0.274 50 C C 2.793 177.716 174.990 -0.110 0.000 1.178 50 C CA 1.434 60.410 59.018 -0.070 0.000 1.769 50 C CB -1.080 26.628 27.740 -0.053 0.000 2.047 50 C HN 0.379 nan 8.230 nan 0.000 0.448 51 I N 1.461 121.977 120.570 -0.090 0.000 2.163 51 I HA -0.046 4.124 4.170 0.000 0.000 0.240 51 I C -0.169 175.894 176.117 -0.089 0.000 1.081 51 I CA 1.662 62.903 61.300 -0.098 0.000 1.353 51 I CB -2.775 35.175 38.000 -0.083 0.000 1.054 51 I HN 0.286 nan 8.210 nan 0.000 0.407 52 P HA -0.090 nan 4.420 nan 0.000 0.217 52 P C 1.920 179.184 177.300 -0.061 0.000 1.150 52 P CA 1.744 64.810 63.100 -0.056 0.000 0.832 52 P CB -0.076 31.602 31.700 -0.036 0.000 0.787 53 S N -1.477 114.188 115.700 -0.059 0.000 2.489 53 S HA -0.019 4.451 4.470 0.000 0.000 0.228 53 S C 1.819 176.361 174.600 -0.097 0.000 0.995 53 S CA 0.815 58.980 58.200 -0.059 0.000 0.934 53 S CB -0.587 62.599 63.200 -0.024 0.000 0.771 53 S HN -0.037 nan 8.310 nan 0.000 0.522 54 K N 1.889 122.205 120.400 -0.141 0.000 2.076 54 K HA 0.354 4.674 4.320 0.000 0.000 0.204 54 K C 2.381 178.904 176.600 -0.127 0.000 1.051 54 K CA 1.064 57.237 56.287 -0.189 0.000 0.949 54 K CB -0.773 31.545 32.500 -0.304 0.000 0.726 54 K HN 0.434 nan 8.250 nan 0.000 0.443 55 A N 0.403 123.162 122.820 -0.102 0.000 1.940 55 A HA -0.153 4.167 4.320 0.000 0.000 0.219 55 A C 1.939 179.476 177.584 -0.078 0.000 1.176 55 A CA 1.324 53.317 52.037 -0.073 0.000 0.631 55 A CB -0.493 18.471 19.000 -0.060 0.000 0.814 55 A HN 0.168 nan 8.150 nan 0.000 0.446 56 L N -0.590 120.570 121.223 -0.104 0.000 2.072 56 L HA 0.005 4.345 4.340 0.000 0.000 0.205 56 L C 2.428 179.210 176.870 -0.148 0.000 1.079 56 L CA 1.259 56.009 54.840 -0.151 0.000 0.752 56 L CB -0.772 41.171 42.059 -0.193 0.000 0.906 56 L HN 0.376 nan 8.230 nan 0.000 0.436 57 L N -0.596 120.561 121.223 -0.110 0.000 2.012 57 L HA -0.273 4.067 4.340 0.000 0.000 0.210 57 L C 2.427 179.259 176.870 -0.063 0.000 1.073 57 L CA 1.694 56.493 54.840 -0.069 0.000 0.748 57 L CB -0.633 41.412 42.059 -0.022 0.000 0.891 57 L HN 0.481 nan 8.230 nan 0.000 0.431 58 N N 0.118 118.768 118.700 -0.084 0.000 2.084 58 N HA -0.205 4.535 4.740 0.000 0.000 0.190 58 N C 1.540 176.985 175.510 -0.109 0.000 1.030 58 N CA 1.604 54.580 53.050 -0.123 0.000 0.849 58 N CB 0.010 38.445 38.487 -0.086 0.000 1.012 58 N HN 0.366 nan 8.380 nan 0.000 0.423 59 N N 0.802 119.488 118.700 -0.023 0.000 2.106 59 N HA -0.120 4.620 4.740 0.000 0.000 0.188 59 N C 1.998 177.532 175.510 0.040 0.000 1.029 59 N CA 1.525 54.612 53.050 0.061 0.000 0.848 59 N CB -0.733 37.766 38.487 0.020 0.000 1.007 59 N HN 0.387 nan 8.380 nan 0.000 0.423 60 S N 0.468 116.139 115.700 -0.049 0.000 2.383 60 S HA -0.235 4.235 4.470 0.000 0.000 0.229 60 S C 1.934 176.581 174.600 0.078 0.000 1.030 60 S CA 1.495 59.673 58.200 -0.037 0.000 1.002 60 S CB -0.771 62.340 63.200 -0.148 0.000 0.829 60 S HN 0.538 nan 8.310 nan 0.000 0.467 61 H N 0.457 119.488 119.070 -0.066 0.000 2.353 61 H HA -0.076 4.480 4.556 0.000 0.000 0.300 61 H C 1.761 177.062 175.328 -0.046 0.000 1.090 61 H CA 1.938 57.936 56.048 -0.084 0.000 1.327 61 H CB -0.553 29.073 29.762 -0.227 0.000 1.383 61 H HN 0.423 nan 8.280 nan 0.000 0.508 62 Y N -0.748 119.471 120.300 -0.134 0.000 2.200 62 Y HA -0.191 4.359 4.550 0.000 0.000 0.290 62 Y C 2.465 178.196 175.900 -0.282 0.000 1.137 62 Y CA 1.366 59.324 58.100 -0.237 0.000 1.163 62 Y CB -1.242 37.176 38.460 -0.070 0.000 0.988 62 Y HN 0.359 nan 8.280 nan 0.000 0.518 63 Y N 0.050 120.313 120.300 -0.063 0.000 2.097 63 Y HA -0.324 4.226 4.550 0.000 0.000 0.282 63 Y C 2.841 178.657 175.900 -0.141 0.000 1.152 63 Y CA 2.272 60.300 58.100 -0.120 0.000 1.136 63 Y CB -0.919 37.484 38.460 -0.095 0.000 0.975 63 Y HN 0.246 nan 8.280 nan 0.000 0.498 64 H N -0.053 118.953 119.070 -0.106 0.000 2.289 64 H HA -0.257 4.299 4.556 0.000 0.000 0.296 64 H C 2.140 177.287 175.328 -0.300 0.000 1.091 64 H CA 2.787 58.727 56.048 -0.180 0.000 1.274 64 H CB -0.534 29.178 29.762 -0.083 0.000 1.364 64 H HN 0.433 nan 8.280 nan 0.000 0.490 65 M N -0.463 118.773 119.600 -0.607 0.000 2.108 65 M HA -0.184 4.296 4.480 0.000 0.000 0.261 65 M C 2.618 178.434 176.300 -0.807 0.000 1.066 65 M CA 1.746 56.669 55.300 -0.628 0.000 1.107 65 M CB -0.223 32.090 32.600 -0.479 0.000 1.356 65 M HN 0.492 nan 8.290 nan 0.000 0.406 66 A N -1.290 120.955 122.820 -0.957 0.000 1.930 66 A HA -0.205 4.115 4.320 0.000 0.000 0.217 66 A C 1.996 179.316 177.584 -0.441 0.000 1.175 66 A CA 1.547 53.086 52.037 -0.830 0.000 0.627 66 A CB -1.014 17.608 19.000 -0.630 0.000 0.815 66 A HN 0.583 nan 8.150 nan 0.000 0.443 67 H N -0.678 118.015 119.070 -0.628 0.000 2.384 67 H HA 0.076 4.632 4.556 0.000 0.000 0.300 67 H C 1.634 176.759 175.328 -0.340 0.000 1.057 67 H CA 0.705 56.441 56.048 -0.520 0.000 1.370 67 H CB -0.005 29.288 29.762 -0.782 0.000 1.417 67 H HN 0.485 nan 8.280 nan 0.000 0.527 68 G N 0.176 108.755 108.800 -0.368 0.000 2.485 68 G HA2 0.019 3.979 3.960 0.000 0.000 0.260 68 G HA3 0.019 3.979 3.960 0.000 0.000 0.260 68 G C 0.582 175.344 174.900 -0.231 0.000 1.459 68 G CA -0.335 44.573 45.100 -0.319 0.000 1.060 68 G HN 0.268 nan 8.290 nan 0.000 0.546 69 K N -0.925 119.381 120.400 -0.156 0.000 2.367 69 K HA 0.107 4.427 4.320 0.000 0.000 0.194 69 K C 1.541 178.122 176.600 -0.032 0.000 1.027 69 K CA 0.393 56.633 56.287 -0.078 0.000 1.075 69 K CB 0.357 32.828 32.500 -0.048 0.000 0.845 69 K HN 0.467 nan 8.250 nan 0.000 0.529 70 D N 0.622 120.998 120.400 -0.041 0.000 2.104 70 D HA -0.171 4.469 4.640 0.000 0.000 0.194 70 D C 1.250 177.657 176.300 0.178 0.000 0.994 70 D CA 1.323 55.356 54.000 0.055 0.000 0.830 70 D CB 0.110 40.937 40.800 0.045 0.000 0.959 70 D HN 0.033 nan 8.370 nan 0.000 0.452 71 F N 0.404 120.288 119.950 -0.110 0.000 2.293 71 F HA 0.237 4.764 4.527 0.000 0.000 0.297 71 F C 2.308 178.066 175.800 -0.070 0.000 1.089 71 F CA 0.671 58.620 58.000 -0.085 0.000 1.377 71 F CB -0.865 38.077 39.000 -0.097 0.000 1.051 71 F HN -0.012 nan 8.300 nan 0.000 0.511 72 A N -0.026 122.856 122.820 0.104 0.000 1.883 72 A HA -0.217 4.103 4.320 0.000 0.000 0.217 72 A C 2.352 179.937 177.584 0.001 0.000 1.186 72 A CA 2.231 54.284 52.037 0.027 0.000 0.624 72 A CB -1.279 17.720 19.000 -0.002 0.000 0.822 72 A HN 0.382 nan 8.150 nan 0.000 0.444 73 S N -0.721 114.981 115.700 0.004 0.000 2.507 73 S HA -0.080 4.390 4.470 0.000 0.000 0.235 73 S C 1.688 176.274 174.600 -0.024 0.000 0.988 73 S CA 1.113 59.309 58.200 -0.007 0.000 0.944 73 S CB -0.313 62.889 63.200 0.002 0.000 0.762 73 S HN 0.603 nan 8.310 nan 0.000 0.526 74 R N 0.271 120.742 120.500 -0.048 0.000 2.312 74 R HA 0.269 4.609 4.340 0.000 0.000 0.205 74 R C 1.538 177.780 176.300 -0.098 0.000 0.904 74 R CA 0.483 56.526 56.100 -0.094 0.000 1.052 74 R CB 0.076 30.264 30.300 -0.187 0.000 1.014 74 R HN 0.586 nan 8.270 nan 0.000 0.503 75 G N 1.171 109.929 108.800 -0.071 0.000 2.176 75 G HA2 -0.218 3.742 3.960 0.000 0.000 0.232 75 G HA3 -0.218 3.742 3.960 0.000 0.000 0.232 75 G C 0.184 175.043 174.900 -0.068 0.000 0.986 75 G CA -0.374 44.691 45.100 -0.059 0.000 0.643 75 G HN 0.196 nan 8.290 nan 0.000 0.522 76 I N 1.738 122.250 120.570 -0.097 0.000 2.294 76 I HA 0.290 4.460 4.170 0.000 0.000 0.295 76 I C 0.156 176.281 176.117 0.015 0.000 1.098 76 I CA 0.125 61.382 61.300 -0.073 0.000 1.277 76 I CB 0.508 38.386 38.000 -0.204 0.000 1.434 76 I HN 0.132 nan 8.210 nan 0.000 0.498 77 E N 6.299 126.504 120.200 0.008 0.000 2.145 77 E HA 0.490 4.840 4.350 0.000 0.000 0.270 77 E C -0.707 175.905 176.600 0.020 0.000 0.906 77 E CA -0.757 55.651 56.400 0.013 0.000 0.761 77 E CB 2.080 31.778 29.700 -0.003 0.000 1.116 77 E HN 0.430 nan 8.360 nan 0.000 0.408 78 M N 0.596 120.210 119.600 0.022 0.000 2.705 78 M HA 0.199 4.679 4.480 0.000 0.000 0.272 78 M C 1.180 177.480 176.300 0.001 0.000 1.172 78 M CA -0.071 55.237 55.300 0.014 0.000 0.901 78 M CB 1.251 33.859 32.600 0.015 0.000 1.516 78 M HN 0.481 nan 8.290 nan 0.000 0.530 79 S N -2.209 113.492 115.700 0.002 0.000 2.566 79 S HA 0.293 4.763 4.470 0.000 0.000 0.234 79 S C 0.323 174.922 174.600 -0.002 0.000 1.075 79 S CA -0.262 57.937 58.200 -0.002 0.000 0.926 79 S CB 0.205 63.405 63.200 0.001 0.000 0.811 79 S HN 0.689 nan 8.310 nan 0.000 0.518 80 E N -0.157 120.049 120.200 0.010 0.000 2.416 80 E HA 0.643 4.993 4.350 0.000 0.000 0.273 80 E C -2.078 174.545 176.600 0.038 0.000 0.935 80 E CA -0.942 55.473 56.400 0.025 0.000 0.784 80 E CB 2.520 32.240 29.700 0.035 0.000 1.301 80 E HN 0.088 nan 8.360 nan 0.000 0.454 81 V N 3.272 123.235 119.914 0.081 0.000 2.462 81 V HA 0.429 4.549 4.120 0.000 0.000 0.288 81 V C -0.516 175.665 176.094 0.144 0.000 1.020 81 V CA -0.715 61.637 62.300 0.086 0.000 0.857 81 V CB 1.402 33.252 31.823 0.045 0.000 1.013 81 V HN 0.611 nan 8.190 nan 0.000 0.431 82 R N 3.056 123.629 120.500 0.121 0.000 2.598 82 R HA 0.678 5.018 4.340 0.000 0.000 0.279 82 R C -1.001 175.388 176.300 0.149 0.000 0.984 82 R CA -0.956 55.215 56.100 0.118 0.000 0.999 82 R CB 2.304 32.639 30.300 0.060 0.000 1.114 82 R HN 0.475 nan 8.270 nan 0.000 0.493 83 L N 1.620 122.877 121.223 0.056 0.000 2.325 83 L HA 0.338 4.678 4.340 0.000 0.000 0.279 83 L C -0.527 176.299 176.870 -0.073 0.000 1.054 83 L CA -0.173 54.600 54.840 -0.112 0.000 0.804 83 L CB 1.218 43.036 42.059 -0.401 0.000 1.200 83 L HN 0.497 nan 8.230 nan 0.000 0.436 84 N N 4.752 123.408 118.700 -0.073 0.000 2.682 84 N HA 0.154 4.894 4.740 0.000 0.000 0.252 84 N C 0.496 175.973 175.510 -0.055 0.000 1.081 84 N CA -0.210 52.812 53.050 -0.047 0.000 0.844 84 N CB 0.772 39.244 38.487 -0.026 0.000 1.167 84 N HN 0.866 nan 8.380 nan 0.000 0.523 85 L N 1.717 122.910 121.223 -0.050 0.000 2.141 85 L HA -0.105 4.235 4.340 0.000 0.000 0.209 85 L C 1.202 178.063 176.870 -0.016 0.000 1.094 85 L CA 1.091 55.910 54.840 -0.036 0.000 0.763 85 L CB 0.139 42.211 42.059 0.022 0.000 0.908 85 L HN 0.480 nan 8.230 nan 0.000 0.437 86 D N 0.076 120.469 120.400 -0.012 0.000 2.087 86 D HA -0.284 4.356 4.640 0.000 0.000 0.192 86 D C 1.956 178.247 176.300 -0.014 0.000 0.993 86 D CA 1.441 55.436 54.000 -0.008 0.000 0.828 86 D CB -0.071 40.723 40.800 -0.009 0.000 0.968 86 D HN 0.244 nan 8.370 nan 0.000 0.448 87 K N 0.124 120.513 120.400 -0.019 0.000 2.147 87 K HA -0.090 4.230 4.320 0.000 0.000 0.205 87 K C 2.191 178.776 176.600 -0.024 0.000 1.049 87 K CA 0.577 56.853 56.287 -0.019 0.000 0.936 87 K CB -0.066 32.424 32.500 -0.016 0.000 0.722 87 K HN 0.044 nan 8.250 nan 0.000 0.446 88 M N -0.124 119.454 119.600 -0.037 0.000 2.156 88 M HA -0.145 4.335 4.480 0.000 0.000 0.264 88 M C 1.869 178.143 176.300 -0.043 0.000 1.067 88 M CA 1.213 56.483 55.300 -0.049 0.000 1.131 88 M CB 0.122 32.668 32.600 -0.091 0.000 1.368 88 M HN 0.108 nan 8.290 nan 0.000 0.416 89 M N -0.041 119.540 119.600 -0.030 0.000 2.132 89 M HA -0.204 4.276 4.480 0.000 0.000 0.263 89 M C 2.042 178.332 176.300 -0.016 0.000 1.065 89 M CA 1.810 57.101 55.300 -0.015 0.000 1.122 89 M CB -1.367 31.239 32.600 0.010 0.000 1.365 89 M HN 0.444 nan 8.290 nan 0.000 0.411 90 E N -0.047 120.143 120.200 -0.016 0.000 2.058 90 E HA -0.270 4.080 4.350 0.000 0.000 0.194 90 E C 2.077 178.665 176.600 -0.019 0.000 0.997 90 E CA 1.434 57.824 56.400 -0.017 0.000 0.801 90 E CB -0.149 29.542 29.700 -0.015 0.000 0.746 90 E HN 0.405 nan 8.360 nan 0.000 0.450 91 Q N 1.327 121.115 119.800 -0.019 0.000 2.077 91 Q HA -0.261 4.079 4.340 0.000 0.000 0.206 91 Q C 2.178 178.164 176.000 -0.022 0.000 0.989 91 Q CA 2.093 57.886 55.803 -0.017 0.000 0.853 91 Q CB -0.300 28.432 28.738 -0.009 0.000 0.907 91 Q HN 0.279 nan 8.270 nan 0.000 0.418 92 K N -0.173 120.210 120.400 -0.028 0.000 2.001 92 K HA -0.134 4.186 4.320 0.000 0.000 0.214 92 K C 2.100 178.679 176.600 -0.034 0.000 1.050 92 K CA 1.899 58.165 56.287 -0.035 0.000 0.934 92 K CB -0.168 32.308 32.500 -0.039 0.000 0.718 92 K HN 0.121 nan 8.250 nan 0.000 0.443 93 S N 0.336 116.019 115.700 -0.029 0.000 2.402 93 S HA -0.127 4.343 4.470 0.000 0.000 0.233 93 S C 1.886 176.465 174.600 -0.034 0.000 1.030 93 S CA 1.887 60.069 58.200 -0.030 0.000 1.003 93 S CB -0.380 62.805 63.200 -0.024 0.000 0.813 93 S HN 0.479 nan 8.310 nan 0.000 0.477 94 T N 2.111 116.647 114.554 -0.030 0.000 2.809 94 T HA 0.100 4.450 4.350 0.000 0.000 0.260 94 T C 2.260 176.939 174.700 -0.036 0.000 1.039 94 T CA 0.981 63.063 62.100 -0.031 0.000 1.141 94 T CB -0.531 68.323 68.868 -0.024 0.000 0.869 94 T HN 0.452 nan 8.240 nan 0.000 0.437 95 A N 1.375 124.174 122.820 -0.035 0.000 1.903 95 A HA -0.148 4.173 4.320 0.000 0.000 0.219 95 A C 2.537 180.090 177.584 -0.053 0.000 1.191 95 A CA 2.003 54.016 52.037 -0.040 0.000 0.638 95 A CB -1.228 17.748 19.000 -0.040 0.000 0.823 95 A HN 0.368 nan 8.150 nan 0.000 0.451 96 V N 0.295 120.176 119.914 -0.055 0.000 2.237 96 V HA -0.276 3.844 4.120 0.000 0.000 0.245 96 V C 2.514 178.562 176.094 -0.076 0.000 1.046 96 V CA 2.288 64.547 62.300 -0.068 0.000 1.007 96 V CB -0.826 30.960 31.823 -0.063 0.000 0.638 96 V HN 0.663 nan 8.190 nan 0.000 0.445 97 K N 0.551 120.912 120.400 -0.065 0.000 2.113 97 K HA -0.232 4.088 4.320 0.000 0.000 0.208 97 K C 2.079 178.635 176.600 -0.074 0.000 1.047 97 K CA 1.835 58.081 56.287 -0.068 0.000 0.928 97 K CB -0.308 32.160 32.500 -0.054 0.000 0.716 97 K HN 0.463 nan 8.250 nan 0.000 0.446 98 A N 0.853 123.635 122.820 -0.064 0.000 2.014 98 A HA -0.020 4.300 4.320 0.000 0.000 0.218 98 A C 2.021 179.560 177.584 -0.074 0.000 1.163 98 A CA 0.703 52.705 52.037 -0.059 0.000 0.652 98 A CB -0.180 18.793 19.000 -0.044 0.000 0.808 98 A HN 0.285 nan 8.150 nan 0.000 0.449 99 L N -0.258 120.911 121.223 -0.090 0.000 2.209 99 L HA -0.082 4.258 4.340 0.000 0.000 0.207 99 L C 2.938 179.706 176.870 -0.170 0.000 1.094 99 L CA 1.714 56.484 54.840 -0.116 0.000 0.790 99 L CB -0.653 41.340 42.059 -0.110 0.000 0.932 99 L HN 0.655 nan 8.230 nan 0.000 0.447 100 T N -3.581 110.875 114.554 -0.164 0.000 2.851 100 T HA -0.061 4.289 4.350 0.000 0.000 0.262 100 T C 1.900 176.466 174.700 -0.223 0.000 1.043 100 T CA 0.948 62.920 62.100 -0.213 0.000 1.140 100 T CB -0.670 68.094 68.868 -0.173 0.000 0.872 100 T HN 0.312 nan 8.240 nan 0.000 0.446 101 G N 1.007 109.712 108.800 -0.158 0.000 2.443 101 G HA2 0.131 4.091 3.960 0.000 0.000 0.219 101 G HA3 0.131 4.091 3.960 0.000 0.000 0.219 101 G C 1.643 176.472 174.900 -0.119 0.000 1.131 101 G CA 0.565 45.584 45.100 -0.136 0.000 0.775 101 G HN 0.652 nan 8.290 nan 0.000 0.547 102 G N 1.001 109.729 108.800 -0.120 0.000 2.422 102 G HA2 -0.146 3.814 3.960 0.000 0.000 0.218 102 G HA3 -0.146 3.814 3.960 0.000 0.000 0.218 102 G C 1.722 176.537 174.900 -0.141 0.000 1.146 102 G CA 0.665 45.717 45.100 -0.080 0.000 0.769 102 G HN 0.443 nan 8.290 nan 0.000 0.547 103 I N 1.172 121.559 120.570 -0.305 0.000 2.286 103 I HA -0.108 4.062 4.170 0.000 0.000 0.245 103 I C 3.275 179.070 176.117 -0.537 0.000 1.104 103 I CA 0.784 61.786 61.300 -0.497 0.000 1.397 103 I CB -0.150 37.335 38.000 -0.859 0.000 1.072 103 I HN 0.241 nan 8.210 nan 0.000 0.417 104 A N -0.056 122.498 122.820 -0.444 0.000 1.908 104 A HA -0.325 3.995 4.320 0.000 0.000 0.218 104 A C 2.234 179.794 177.584 -0.040 0.000 1.181 104 A CA 2.047 53.892 52.037 -0.319 0.000 0.627 104 A CB -1.253 17.605 19.000 -0.237 0.000 0.818 104 A HN 0.568 nan 8.150 nan 0.000 0.445 105 H N -0.266 118.737 119.070 -0.111 0.000 2.319 105 H HA -0.107 4.449 4.556 0.000 0.000 0.299 105 H C 1.945 177.294 175.328 0.035 0.000 1.092 105 H CA 1.466 57.498 56.048 -0.028 0.000 1.302 105 H CB -0.126 29.617 29.762 -0.032 0.000 1.373 105 H HN 0.432 nan 8.280 nan 0.000 0.497 106 L N -0.074 121.165 121.223 0.027 0.000 2.043 106 L HA -0.231 4.109 4.340 0.000 0.000 0.212 106 L C 2.483 179.513 176.870 0.265 0.000 1.075 106 L CA 0.905 55.781 54.840 0.061 0.000 0.752 106 L CB -0.632 41.502 42.059 0.125 0.000 0.891 106 L HN 0.269 nan 8.230 nan 0.000 0.432 107 F N 1.034 121.014 119.950 0.051 0.000 2.026 107 F HA -0.216 4.311 4.527 0.000 0.000 0.296 107 F C 2.646 178.485 175.800 0.065 0.000 1.133 107 F CA 1.187 59.224 58.000 0.062 0.000 1.188 107 F CB -0.971 38.062 39.000 0.054 0.000 0.968 107 F HN -0.001 nan 8.300 nan 0.000 0.476 108 K N 0.262 120.832 120.400 0.282 0.000 2.034 108 K HA -0.279 4.041 4.320 0.000 0.000 0.214 108 K C 2.005 178.699 176.600 0.156 0.000 1.051 108 K CA 1.687 58.089 56.287 0.191 0.000 0.931 108 K CB -1.046 31.562 32.500 0.180 0.000 0.715 108 K HN 0.433 nan 8.250 nan 0.000 0.446 109 Q N 0.878 120.776 119.800 0.163 0.000 2.077 109 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 109 Q C 0.763 176.802 176.000 0.065 0.000 0.989 109 Q CA 1.675 57.533 55.803 0.091 0.000 0.853 109 Q CB -0.037 28.688 28.738 -0.022 0.000 0.907 109 Q HN 0.493 nan 8.270 nan 0.000 0.418 110 N N -0.145 118.598 118.700 0.071 0.000 2.327 110 N HA 0.078 4.818 4.740 0.000 0.000 0.231 110 N C -0.220 175.313 175.510 0.038 0.000 1.130 110 N CA -0.117 52.962 53.050 0.048 0.000 0.845 110 N CB 0.506 39.017 38.487 0.040 0.000 1.073 110 N HN 0.128 nan 8.380 nan 0.000 0.496 111 K N 0.531 120.964 120.400 0.054 0.000 3.445 111 K HA -0.188 4.132 4.320 0.000 0.000 0.316 111 K C -0.426 176.181 176.600 0.011 0.000 1.278 111 K CA 0.217 56.529 56.287 0.042 0.000 0.976 111 K CB -1.143 31.377 32.500 0.033 0.000 1.238 111 K HN 0.102 nan 8.250 nan 0.000 0.430 112 V N 2.143 122.037 119.914 -0.034 0.000 2.644 112 V HA -0.132 3.988 4.120 0.000 0.000 0.303 112 V C 0.824 176.851 176.094 -0.112 0.000 1.058 112 V CA 0.924 63.130 62.300 -0.157 0.000 1.228 112 V CB 0.293 31.866 31.823 -0.416 0.000 0.861 112 V HN 0.172 nan 8.190 nan 0.000 0.484 113 V N 3.714 123.579 119.914 -0.081 0.000 2.406 113 V HA 0.385 4.505 4.120 0.000 0.000 0.272 113 V C 0.224 176.345 176.094 0.045 0.000 1.043 113 V CA -0.581 61.723 62.300 0.007 0.000 0.915 113 V CB 1.013 32.841 31.823 0.009 0.000 0.988 113 V HN 0.937 nan 8.190 nan 0.000 0.466 114 H N 4.755 123.861 119.070 0.060 0.000 2.488 114 H HA 0.653 5.209 4.556 0.000 0.000 0.322 114 H C -1.298 174.083 175.328 0.089 0.000 1.078 114 H CA -0.544 55.581 56.048 0.129 0.000 1.260 114 H CB 1.971 31.899 29.762 0.277 0.000 1.425 114 H HN 0.672 nan 8.280 nan 0.000 0.471 115 V N 4.618 124.291 119.914 -0.401 0.000 2.448 115 V HA 0.079 4.199 4.120 0.000 0.000 0.295 115 V C 0.507 176.305 176.094 -0.494 0.000 1.025 115 V CA -1.159 60.922 62.300 -0.363 0.000 0.859 115 V CB 1.211 32.952 31.823 -0.135 0.000 0.988 115 V HN 0.713 nan 8.190 nan 0.000 0.431 116 N N 3.401 121.881 118.700 -0.366 0.000 3.050 116 N HA 0.488 5.228 4.740 0.000 0.000 0.289 116 N C 0.064 175.543 175.510 -0.052 0.000 1.209 116 N CA 0.493 53.435 53.050 -0.180 0.000 1.154 116 N CB 0.103 38.577 38.487 -0.023 0.000 1.444 116 N HN 1.090 nan 8.380 nan 0.000 0.529 117 G N 0.292 109.072 108.800 -0.034 0.000 2.677 117 G HA2 0.196 4.156 3.960 0.000 0.000 0.291 117 G HA3 0.196 4.156 3.960 0.000 0.000 0.291 117 G C -1.907 173.054 174.900 0.103 0.000 1.435 117 G CA -0.612 44.514 45.100 0.042 0.000 0.826 117 G HN 0.168 nan 8.290 nan 0.000 0.491 118 Y N 1.402 121.718 120.300 0.028 0.000 2.587 118 Y HA 0.466 5.016 4.550 0.000 0.000 0.344 118 Y C 0.821 176.742 175.900 0.036 0.000 1.061 118 Y CA -0.428 57.700 58.100 0.047 0.000 1.370 118 Y CB 0.735 39.226 38.460 0.053 0.000 1.163 118 Y HN 0.531 nan 8.280 nan 0.000 0.527 119 G N 6.959 115.997 108.800 0.398 0.000 2.377 119 G HA2 0.354 4.314 3.960 0.000 0.000 0.316 119 G HA3 0.354 4.314 3.960 0.000 0.000 0.316 119 G C -0.946 174.075 174.900 0.202 0.000 1.115 119 G CA -0.876 44.355 45.100 0.219 0.000 0.952 119 G HN 0.620 nan 8.290 nan 0.000 0.441 120 K N 2.791 123.250 120.400 0.097 0.000 2.138 120 K HA 0.524 4.844 4.320 0.000 0.000 0.263 120 K C -0.264 176.354 176.600 0.030 0.000 0.965 120 K CA -0.999 55.310 56.287 0.037 0.000 0.868 120 K CB 1.726 34.203 32.500 -0.039 0.000 1.083 120 K HN 0.443 nan 8.250 nan 0.000 0.443 121 I N 5.172 125.757 120.570 0.025 0.000 2.301 121 I HA 0.091 4.261 4.170 0.000 0.000 0.292 121 I C 0.778 176.901 176.117 0.010 0.000 1.046 121 I CA -0.197 61.116 61.300 0.022 0.000 1.282 121 I CB 1.197 39.215 38.000 0.029 0.000 1.409 121 I HN 0.971 nan 8.210 nan 0.000 0.484 122 T N 2.830 117.389 114.554 0.009 0.000 3.023 122 T HA 0.398 4.748 4.350 0.000 0.000 0.266 122 T C 0.778 175.481 174.700 0.004 0.000 1.093 122 T CA 0.453 62.555 62.100 0.003 0.000 1.129 122 T CB -0.018 68.852 68.868 0.003 0.000 0.899 122 T HN 0.864 nan 8.240 nan 0.000 0.491 123 G N -0.061 108.744 108.800 0.009 0.000 2.328 123 G HA2 0.325 4.285 3.960 0.000 0.000 0.295 123 G HA3 0.325 4.285 3.960 0.000 0.000 0.295 123 G C -0.081 174.827 174.900 0.014 0.000 1.413 123 G CA -0.390 44.716 45.100 0.009 0.000 0.817 123 G HN -0.014 nan 8.290 nan 0.000 0.546 124 K N -0.471 119.936 120.400 0.013 0.000 2.192 124 K HA -0.242 4.078 4.320 0.000 0.000 0.214 124 K C 0.507 177.122 176.600 0.025 0.000 1.046 124 K CA 2.143 58.440 56.287 0.017 0.000 0.937 124 K CB -0.078 32.430 32.500 0.014 0.000 0.734 124 K HN 0.300 nan 8.250 nan 0.000 0.473 125 N N 0.155 118.870 118.700 0.025 0.000 2.646 125 N HA 0.085 4.825 4.740 0.000 0.000 0.296 125 N C -1.571 173.954 175.510 0.026 0.000 1.886 125 N CA -0.039 53.029 53.050 0.030 0.000 0.855 125 N CB 1.306 39.811 38.487 0.030 0.000 1.336 125 N HN 0.268 nan 8.380 nan 0.000 0.496 126 Q N 0.450 120.265 119.800 0.025 0.000 2.468 126 Q HA 0.356 4.696 4.340 0.000 0.000 0.263 126 Q C -1.897 174.116 176.000 0.022 0.000 0.979 126 Q CA -0.666 55.150 55.803 0.022 0.000 0.932 126 Q CB 1.919 30.667 28.738 0.016 0.000 1.462 126 Q HN 0.031 nan 8.270 nan 0.000 0.403 127 V N -0.164 119.764 119.914 0.024 0.000 2.735 127 V HA 0.814 4.934 4.120 0.000 0.000 0.310 127 V C -0.508 175.601 176.094 0.024 0.000 1.061 127 V CA -0.472 61.844 62.300 0.027 0.000 0.913 127 V CB 1.797 33.641 31.823 0.036 0.000 1.005 127 V HN 0.751 nan 8.190 nan 0.000 0.428 128 T N 3.073 117.641 114.554 0.024 0.000 2.859 128 T HA 0.804 5.154 4.350 0.000 0.000 0.281 128 T C 0.016 174.737 174.700 0.035 0.000 1.005 128 T CA -0.024 62.089 62.100 0.021 0.000 1.025 128 T CB 1.636 70.511 68.868 0.012 0.000 0.977 128 T HN 1.373 nan 8.240 nan 0.000 0.458 129 A N 2.405 125.245 122.820 0.032 0.000 2.273 129 A HA 0.656 4.976 4.320 0.000 0.000 0.315 129 A C 0.152 177.762 177.584 0.044 0.000 1.256 129 A CA -0.679 51.386 52.037 0.047 0.000 0.851 129 A CB 0.432 19.448 19.000 0.026 0.000 1.172 129 A HN 0.716 nan 8.150 nan 0.000 0.508 130 T N 3.355 117.950 114.554 0.067 0.000 2.767 130 T HA 0.363 4.713 4.350 0.000 0.000 0.284 130 T C 0.342 175.088 174.700 0.076 0.000 0.973 130 T CA -0.320 61.813 62.100 0.055 0.000 0.996 130 T CB 1.015 69.903 68.868 0.035 0.000 0.927 130 T HN 0.688 nan 8.240 nan 0.000 0.456 131 K N 1.025 121.455 120.400 0.051 0.000 2.488 131 K HA 0.640 4.960 4.320 0.000 0.000 0.255 131 K C 1.585 178.218 176.600 0.055 0.000 1.036 131 K CA -0.648 55.669 56.287 0.050 0.000 0.990 131 K CB 0.301 32.820 32.500 0.031 0.000 1.304 131 K HN 0.522 nan 8.250 nan 0.000 0.505 132 A N 0.373 123.221 122.820 0.048 0.000 1.898 132 A HA -0.137 4.183 4.320 0.000 0.000 0.214 132 A C 1.770 179.373 177.584 0.032 0.000 1.183 132 A CA 1.733 53.797 52.037 0.044 0.000 0.622 132 A CB -0.603 18.421 19.000 0.040 0.000 0.824 132 A HN 0.848 nan 8.150 nan 0.000 0.444 133 D N -1.425 118.991 120.400 0.027 0.000 2.154 133 D HA -0.042 4.598 4.640 0.000 0.000 0.190 133 D C 1.514 177.825 176.300 0.018 0.000 1.003 133 D CA 3.065 57.077 54.000 0.020 0.000 0.849 133 D CB -0.105 40.706 40.800 0.018 0.000 0.942 133 D HN 0.564 nan 8.370 nan 0.000 0.446 134 G N -2.143 106.668 108.800 0.019 0.000 3.709 134 G HA2 -0.049 3.911 3.960 0.000 0.000 0.196 134 G HA3 -0.049 3.911 3.960 0.000 0.000 0.196 134 G C 0.687 175.595 174.900 0.013 0.000 1.177 134 G CA 0.160 45.268 45.100 0.014 0.000 0.906 134 G HN 0.619 nan 8.290 nan 0.000 0.416 135 G N 0.932 109.740 108.800 0.013 0.000 2.562 135 G HA2 0.481 4.441 3.960 0.000 0.000 0.233 135 G HA3 0.481 4.441 3.960 0.000 0.000 0.233 135 G C 0.372 175.280 174.900 0.012 0.000 1.266 135 G CA 1.321 46.428 45.100 0.011 0.000 0.852 135 G HN 1.372 nan 8.290 nan 0.000 0.581 136 T N -0.348 114.212 114.554 0.010 0.000 2.934 136 T HA 0.404 4.754 4.350 0.000 0.000 0.328 136 T C -0.363 174.342 174.700 0.009 0.000 1.068 136 T CA -0.786 61.320 62.100 0.010 0.000 1.018 136 T CB 1.700 70.571 68.868 0.006 0.000 1.009 136 T HN 0.403 nan 8.240 nan 0.000 0.471 137 Q N 2.911 122.716 119.800 0.009 0.000 2.322 137 Q HA 0.398 4.738 4.340 0.000 0.000 0.256 137 Q C -0.446 175.559 176.000 0.008 0.000 0.960 137 Q CA -0.241 55.566 55.803 0.006 0.000 0.934 137 Q CB 1.559 30.298 28.738 0.002 0.000 1.200 137 Q HN 0.668 nan 8.270 nan 0.000 0.435 138 V N 4.559 124.478 119.914 0.008 0.000 2.716 138 V HA 0.485 4.605 4.120 0.000 0.000 0.304 138 V C -0.052 176.048 176.094 0.010 0.000 1.053 138 V CA -0.583 61.722 62.300 0.010 0.000 0.984 138 V CB 1.608 33.437 31.823 0.009 0.000 1.021 138 V HN 0.593 nan 8.190 nan 0.000 0.467 139 I N 2.452 123.030 120.570 0.013 0.000 2.548 139 I HA 0.343 4.513 4.170 0.000 0.000 0.287 139 I C -0.865 175.262 176.117 0.017 0.000 1.103 139 I CA -0.238 61.070 61.300 0.013 0.000 1.049 139 I CB 2.084 40.091 38.000 0.012 0.000 1.232 139 I HN 0.587 nan 8.210 nan 0.000 0.429 140 D N 5.167 125.578 120.400 0.017 0.000 2.373 140 D HA 0.337 4.977 4.640 0.000 0.000 0.227 140 D C -0.115 176.200 176.300 0.025 0.000 1.091 140 D CA -0.197 53.815 54.000 0.020 0.000 0.840 140 D CB 2.224 43.035 40.800 0.018 0.000 1.060 140 D HN 0.434 nan 8.370 nan 0.000 0.502 141 T N 0.303 114.876 114.554 0.030 0.000 2.907 141 T HA 0.327 4.677 4.350 0.000 0.000 0.290 141 T C 0.532 175.261 174.700 0.048 0.000 1.066 141 T CA -0.511 61.612 62.100 0.038 0.000 1.012 141 T CB 2.364 71.253 68.868 0.035 0.000 1.184 141 T HN 0.026 nan 8.240 nan 0.000 0.522 142 K N 0.722 121.159 120.400 0.061 0.000 2.335 142 K HA 0.409 4.729 4.320 0.000 0.000 0.195 142 K C 0.308 176.966 176.600 0.097 0.000 1.058 142 K CA 0.390 56.723 56.287 0.075 0.000 0.988 142 K CB 0.407 32.958 32.500 0.086 0.000 0.880 142 K HN 0.508 nan 8.250 nan 0.000 0.513 143 N N 0.076 118.831 118.700 0.091 0.000 2.235 143 N HA 0.334 5.074 4.740 0.000 0.000 0.293 143 N C -1.184 174.374 175.510 0.080 0.000 1.083 143 N CA -0.513 52.608 53.050 0.117 0.000 0.801 143 N CB 2.479 41.017 38.487 0.085 0.000 1.559 143 N HN -0.136 nan 8.380 nan 0.000 0.472 144 I N 1.833 122.481 120.570 0.130 0.000 2.433 144 I HA 0.316 4.486 4.170 0.000 0.000 0.292 144 I C -0.797 175.389 176.117 0.116 0.000 1.001 144 I CA -0.877 60.478 61.300 0.093 0.000 1.119 144 I CB 2.038 40.088 38.000 0.083 0.000 1.289 144 I HN 0.214 nan 8.210 nan 0.000 0.438 145 L N 8.095 129.346 121.223 0.047 0.000 2.294 145 L HA 0.521 4.861 4.340 0.000 0.000 0.283 145 L C -0.565 176.332 176.870 0.045 0.000 1.015 145 L CA -0.126 54.733 54.840 0.032 0.000 0.831 145 L CB 0.829 42.857 42.059 -0.051 0.000 1.217 145 L HN 0.368 nan 8.230 nan 0.000 0.420 146 I N 5.590 126.202 120.570 0.069 0.000 2.301 146 I HA 0.461 4.631 4.170 0.000 0.000 0.292 146 I C 0.403 176.551 176.117 0.052 0.000 1.046 146 I CA -0.123 61.216 61.300 0.065 0.000 1.282 146 I CB 1.105 39.148 38.000 0.071 0.000 1.409 146 I HN 0.798 nan 8.210 nan 0.000 0.484 147 A N 3.876 126.729 122.820 0.055 0.000 3.317 147 A HA 0.332 4.652 4.320 0.000 0.000 0.307 147 A C 0.777 178.410 177.584 0.082 0.000 1.003 147 A CA -0.473 51.595 52.037 0.052 0.000 0.882 147 A CB -0.237 18.782 19.000 0.032 0.000 1.136 147 A HN 0.738 nan 8.150 nan 0.000 0.488 148 T N -2.128 112.493 114.554 0.113 0.000 3.129 148 T HA 0.410 4.760 4.350 0.000 0.000 0.251 148 T C 1.506 176.319 174.700 0.188 0.000 1.117 148 T CA 0.863 63.069 62.100 0.177 0.000 1.034 148 T CB -0.215 68.800 68.868 0.246 0.000 0.968 148 T HN 1.876 nan 8.240 nan 0.000 0.526 149 G N 2.122 110.994 108.800 0.120 0.000 2.634 149 G HA2 -0.230 3.730 3.960 0.000 0.000 0.309 149 G HA3 -0.230 3.730 3.960 0.000 0.000 0.309 149 G C 0.251 175.236 174.900 0.142 0.000 1.265 149 G CA 1.146 46.302 45.100 0.093 0.000 0.998 149 G HN 1.591 nan 8.290 nan 0.000 0.551 150 S N -0.986 114.767 115.700 0.088 0.000 2.880 150 S HA 0.793 5.263 4.470 0.000 0.000 0.308 150 S C -0.720 173.886 174.600 0.010 0.000 1.195 150 S CA 0.534 58.802 58.200 0.113 0.000 0.866 150 S CB 2.221 65.464 63.200 0.072 0.000 1.254 150 S HN 2.075 nan 8.310 nan 0.000 0.571 151 E N -0.829 119.395 120.200 0.040 0.000 2.429 151 E HA 0.552 4.902 4.350 0.000 0.000 0.280 151 E C -1.616 175.006 176.600 0.037 0.000 1.068 151 E CA -1.369 55.027 56.400 -0.007 0.000 0.837 151 E CB 1.090 30.816 29.700 0.043 0.000 1.357 151 E HN 0.516 nan 8.360 nan 0.000 0.455 152 V N 1.285 121.214 119.914 0.026 0.000 2.572 152 V HA 0.169 4.289 4.120 0.000 0.000 0.291 152 V C 0.207 176.339 176.094 0.063 0.000 1.039 152 V CA -0.153 62.173 62.300 0.043 0.000 1.055 152 V CB 0.815 32.658 31.823 0.033 0.000 0.969 152 V HN 0.689 nan 8.190 nan 0.000 0.482 153 T N 8.233 122.828 114.554 0.069 0.000 2.743 153 T HA 0.222 4.572 4.350 0.000 0.000 0.290 153 T C -1.936 172.815 174.700 0.085 0.000 0.908 153 T CA -0.423 61.720 62.100 0.071 0.000 1.092 153 T CB 0.374 69.284 68.868 0.070 0.000 0.882 153 T HN 0.630 nan 8.240 nan 0.000 0.531 154 P HA 0.261 nan 4.420 nan 0.000 0.279 154 P C -0.702 176.669 177.300 0.118 0.000 1.239 154 P CA -0.712 62.446 63.100 0.098 0.000 0.789 154 P CB 0.607 32.348 31.700 0.069 0.000 0.933 155 F N 5.146 125.096 119.950 0.001 0.000 2.404 155 F HA 0.322 4.849 4.527 0.000 0.000 0.359 155 F C -2.058 173.737 175.800 -0.009 0.000 1.134 155 F CA -2.512 55.483 58.000 -0.008 0.000 1.160 155 F CB 0.283 39.280 39.000 -0.006 0.000 1.186 155 F HN 0.157 nan 8.300 nan 0.000 0.526 156 P HA 0.259 nan 4.420 nan 0.000 0.267 156 P C 0.494 177.701 177.300 -0.154 0.000 1.209 156 P CA 0.973 63.973 63.100 -0.166 0.000 0.763 156 P CB 0.908 32.490 31.700 -0.198 0.000 0.816 157 G N 3.508 112.299 108.800 -0.014 0.000 2.784 157 G HA2 -0.186 3.774 3.960 0.000 0.000 0.204 157 G HA3 -0.186 3.774 3.960 0.000 0.000 0.204 157 G C -0.064 174.911 174.900 0.125 0.000 1.300 157 G CA -0.433 44.699 45.100 0.054 0.000 0.863 157 G HN 0.489 nan 8.290 nan 0.000 0.541 158 I N 2.825 123.539 120.570 0.239 0.000 2.352 158 I HA 0.391 4.561 4.170 0.000 0.000 0.290 158 I C -0.021 176.162 176.117 0.111 0.000 1.036 158 I CA -0.156 61.250 61.300 0.176 0.000 1.336 158 I CB 1.502 39.616 38.000 0.189 0.000 1.407 158 I HN 0.090 nan 8.210 nan 0.000 0.497 159 T N 7.569 122.161 114.554 0.062 0.000 2.727 159 T HA 0.418 4.768 4.350 0.000 0.000 0.298 159 T C 0.291 175.007 174.700 0.026 0.000 0.942 159 T CA -0.303 61.822 62.100 0.042 0.000 0.997 159 T CB 0.142 69.027 68.868 0.028 0.000 0.917 159 T HN 0.269 nan 8.240 nan 0.000 0.487 160 I N 3.932 124.519 120.570 0.028 0.000 2.648 160 I HA 0.063 4.233 4.170 0.000 0.000 0.284 160 I C 0.938 177.057 176.117 0.003 0.000 1.153 160 I CA 0.306 61.613 61.300 0.011 0.000 1.426 160 I CB 0.664 38.675 38.000 0.017 0.000 1.381 160 I HN 0.707 nan 8.210 nan 0.000 0.571 161 D N 3.390 123.784 120.400 -0.009 0.000 2.539 161 D HA 0.054 4.694 4.640 0.000 0.000 0.232 161 D C 0.233 176.522 176.300 -0.020 0.000 1.256 161 D CA -0.261 53.732 54.000 -0.012 0.000 0.810 161 D CB 0.055 40.846 40.800 -0.013 0.000 1.090 161 D HN 0.360 nan 8.370 nan 0.000 0.519 162 E N -0.055 120.130 120.200 -0.025 0.000 2.297 162 E HA -0.210 4.140 4.350 0.000 0.000 0.228 162 E C -0.229 176.346 176.600 -0.042 0.000 1.213 162 E CA 1.194 57.575 56.400 -0.032 0.000 0.712 162 E CB -1.173 28.513 29.700 -0.022 0.000 1.202 162 E HN 0.553 nan 8.360 nan 0.000 0.376 163 D N -3.317 117.053 120.400 -0.051 0.000 2.957 163 D HA 0.199 4.839 4.640 0.000 0.000 0.175 163 D C 1.304 177.556 176.300 -0.080 0.000 1.502 163 D CA 1.158 55.122 54.000 -0.059 0.000 1.524 163 D CB -0.039 40.735 40.800 -0.044 0.000 1.300 163 D HN 0.073 nan 8.370 nan 0.000 0.241 164 T N -0.241 114.270 114.554 -0.073 0.000 3.042 164 T HA 0.375 4.725 4.350 0.000 0.000 0.245 164 T C 0.893 175.542 174.700 -0.085 0.000 1.029 164 T CA 0.071 62.119 62.100 -0.087 0.000 1.120 164 T CB 0.959 69.785 68.868 -0.071 0.000 0.917 164 T HN 0.091 nan 8.240 nan 0.000 0.467 165 I N 3.823 124.355 120.570 -0.063 0.000 2.330 165 I HA 0.411 4.581 4.170 0.000 0.000 0.286 165 I C -0.413 175.675 176.117 -0.049 0.000 1.025 165 I CA -0.907 60.359 61.300 -0.057 0.000 1.197 165 I CB 1.183 39.161 38.000 -0.037 0.000 1.358 165 I HN 0.037 nan 8.210 nan 0.000 0.467 166 V N 2.813 122.692 119.914 -0.059 0.000 3.019 166 V HA 0.790 4.910 4.120 0.000 0.000 0.317 166 V C 0.095 176.173 176.094 -0.027 0.000 1.094 166 V CA -0.491 61.780 62.300 -0.047 0.000 1.000 166 V CB 1.705 33.486 31.823 -0.070 0.000 1.060 166 V HN 0.682 nan 8.190 nan 0.000 0.443 167 S N 0.507 116.200 115.700 -0.011 0.000 2.748 167 S HA 0.428 4.898 4.470 0.000 0.000 0.299 167 S C 1.500 176.110 174.600 0.017 0.000 1.119 167 S CA 0.133 58.338 58.200 0.007 0.000 0.997 167 S CB 0.999 64.206 63.200 0.011 0.000 1.223 167 S HN 1.996 nan 8.310 nan 0.000 0.541 168 S N 0.285 116.003 115.700 0.030 0.000 2.387 168 S HA -0.215 4.255 4.470 0.000 0.000 0.230 168 S C 1.961 176.587 174.600 0.043 0.000 1.035 168 S CA 2.194 60.421 58.200 0.046 0.000 1.014 168 S CB -1.862 61.364 63.200 0.044 0.000 0.836 168 S HN 1.122 nan 8.310 nan 0.000 0.466 169 T N -0.605 113.963 114.554 0.022 0.000 2.942 169 T HA 0.195 4.545 4.350 0.000 0.000 0.265 169 T C 1.956 176.668 174.700 0.020 0.000 1.062 169 T CA 1.183 63.292 62.100 0.016 0.000 1.139 169 T CB -0.944 67.922 68.868 -0.004 0.000 0.883 169 T HN 0.496 nan 8.240 nan 0.000 0.468 170 G N 0.352 109.157 108.800 0.008 0.000 2.484 170 G HA2 0.247 4.207 3.960 0.000 0.000 0.218 170 G HA3 0.247 4.207 3.960 0.000 0.000 0.218 170 G C 1.783 176.684 174.900 0.001 0.000 1.130 170 G CA 0.568 45.664 45.100 -0.007 0.000 0.784 170 G HN 0.705 nan 8.290 nan 0.000 0.543 171 A N 0.414 123.254 122.820 0.033 0.000 2.067 171 A HA 0.279 4.599 4.320 0.000 0.000 0.217 171 A C 2.118 179.864 177.584 0.269 0.000 1.156 171 A CA 0.451 52.536 52.037 0.081 0.000 0.683 171 A CB -0.184 18.890 19.000 0.123 0.000 0.808 171 A HN 0.334 nan 8.150 nan 0.000 0.455 172 L N -0.451 120.883 121.223 0.184 0.000 2.599 172 L HA 0.076 4.416 4.340 0.000 0.000 0.230 172 L C 0.853 177.828 176.870 0.175 0.000 1.141 172 L CA 0.416 55.367 54.840 0.185 0.000 0.877 172 L CB 0.216 42.324 42.059 0.082 0.000 1.009 172 L HN 0.211 nan 8.230 nan 0.000 0.447 173 S N -0.380 115.409 115.700 0.149 0.000 2.941 173 S HA 0.333 4.803 4.470 0.000 0.000 0.251 173 S C 0.347 174.988 174.600 0.069 0.000 1.029 173 S CA -0.527 57.734 58.200 0.102 0.000 1.062 173 S CB 0.309 63.533 63.200 0.041 0.000 0.977 173 S HN 0.087 nan 8.310 nan 0.000 0.552 174 L N 1.620 122.877 121.223 0.057 0.000 2.499 174 L HA 0.176 4.516 4.340 0.000 0.000 0.281 174 L C 1.325 178.177 176.870 -0.029 0.000 1.234 174 L CA 0.261 55.019 54.840 -0.137 0.000 0.839 174 L CB 0.352 42.060 42.059 -0.584 0.000 1.104 174 L HN 0.124 nan 8.230 nan 0.000 0.500 175 K N 1.262 121.619 120.400 -0.072 0.000 2.353 175 K HA 0.118 4.438 4.320 0.000 0.000 0.195 175 K C -0.429 176.157 176.600 -0.022 0.000 1.031 175 K CA 0.226 56.499 56.287 -0.024 0.000 1.079 175 K CB 0.317 32.795 32.500 -0.036 0.000 0.857 175 K HN 0.545 nan 8.250 nan 0.000 0.535 176 K N -0.704 119.657 120.400 -0.066 0.000 2.578 176 K HA 0.231 4.551 4.320 0.000 0.000 0.269 176 K C -0.988 175.543 176.600 -0.116 0.000 0.941 176 K CA -0.945 55.312 56.287 -0.050 0.000 0.847 176 K CB 1.760 34.226 32.500 -0.057 0.000 1.397 176 K HN -0.164 nan 8.250 nan 0.000 0.422 177 V N 2.375 122.280 119.914 -0.014 0.000 2.470 177 V HA 0.301 4.421 4.120 0.000 0.000 0.276 177 V C -2.073 173.953 176.094 -0.114 0.000 1.040 177 V CA -1.247 61.048 62.300 -0.008 0.000 1.008 177 V CB 0.172 32.104 31.823 0.183 0.000 0.990 177 V HN 0.761 nan 8.190 nan 0.000 0.477 178 P HA 0.048 nan 4.420 nan 0.000 0.264 178 P C 0.539 177.772 177.300 -0.112 0.000 1.193 178 P CA 0.245 63.221 63.100 -0.206 0.000 0.763 178 P CB 0.873 32.393 31.700 -0.301 0.000 0.810 179 E N 3.301 123.448 120.200 -0.088 0.000 2.085 179 E HA -0.163 4.187 4.350 0.000 0.000 0.194 179 E C 0.189 176.751 176.600 -0.064 0.000 0.994 179 E CA 1.138 57.503 56.400 -0.058 0.000 0.801 179 E CB 0.196 29.868 29.700 -0.047 0.000 0.743 179 E HN 0.362 nan 8.360 nan 0.000 0.453 180 K N 0.435 120.784 120.400 -0.085 0.000 2.581 180 K HA 0.258 4.578 4.320 0.000 0.000 0.249 180 K C -1.491 175.041 176.600 -0.114 0.000 0.966 180 K CA -0.435 55.800 56.287 -0.088 0.000 0.811 180 K CB 1.637 34.096 32.500 -0.069 0.000 1.223 180 K HN 0.061 nan 8.250 nan 0.000 0.438 181 M N 4.770 124.292 119.600 -0.129 0.000 2.395 181 M HA 0.360 4.840 4.480 0.000 0.000 0.307 181 M C -1.380 174.841 176.300 -0.132 0.000 1.091 181 M CA -0.897 54.316 55.300 -0.145 0.000 0.919 181 M CB 1.827 34.317 32.600 -0.183 0.000 1.662 181 M HN 0.405 nan 8.290 nan 0.000 0.440 182 V N 3.687 123.532 119.914 -0.115 0.000 2.513 182 V HA 0.722 4.842 4.120 0.000 0.000 0.299 182 V C -0.942 175.098 176.094 -0.089 0.000 1.035 182 V CA -0.529 61.711 62.300 -0.100 0.000 0.889 182 V CB 1.560 33.334 31.823 -0.083 0.000 0.988 182 V HN 0.661 nan 8.190 nan 0.000 0.440 183 V N 6.272 126.148 119.914 -0.064 0.000 2.432 183 V HA 0.458 4.578 4.120 0.000 0.000 0.275 183 V C 0.271 176.349 176.094 -0.026 0.000 1.043 183 V CA -0.366 61.920 62.300 -0.023 0.000 0.925 183 V CB 1.085 32.934 31.823 0.044 0.000 0.985 183 V HN 0.818 nan 8.190 nan 0.000 0.466 184 I N 4.663 125.200 120.570 -0.056 0.000 2.291 184 I HA 0.682 4.852 4.170 0.000 0.000 0.290 184 I C 0.722 176.838 176.117 -0.001 0.000 1.050 184 I CA 0.290 61.544 61.300 -0.076 0.000 1.245 184 I CB 0.963 38.822 38.000 -0.233 0.000 1.405 184 I HN 0.952 nan 8.210 nan 0.000 0.478 185 G N 4.486 113.322 108.800 0.059 0.000 3.187 185 G HA2 0.163 4.123 3.960 0.000 0.000 0.682 185 G HA3 0.163 4.123 3.960 0.000 0.000 0.682 185 G C -0.493 174.483 174.900 0.125 0.000 1.266 185 G CA -0.383 44.777 45.100 0.100 0.000 0.902 185 G HN 0.822 nan 8.290 nan 0.000 0.589 186 A N 1.588 124.490 122.820 0.136 0.000 3.003 186 A HA 0.776 5.096 4.320 0.000 0.000 0.301 186 A C 1.354 179.010 177.584 0.119 0.000 1.280 186 A CA 1.017 53.154 52.037 0.166 0.000 0.973 186 A CB -0.254 18.881 19.000 0.225 0.000 1.110 186 A HN 2.091 nan 8.150 nan 0.000 0.590 187 G N -1.014 107.857 108.800 0.120 0.000 2.588 187 G HA2 0.348 4.308 3.960 0.000 0.000 0.278 187 G HA3 0.348 4.308 3.960 0.000 0.000 0.278 187 G C 1.108 176.098 174.900 0.149 0.000 1.307 187 G CA 0.194 45.364 45.100 0.117 0.000 1.016 187 G HN 0.146 nan 8.290 nan 0.000 0.503 188 V N 0.325 120.330 119.914 0.152 0.000 2.223 188 V HA -0.199 3.921 4.120 0.000 0.000 0.244 188 V C 2.915 179.108 176.094 0.165 0.000 1.045 188 V CA 1.985 64.384 62.300 0.165 0.000 1.000 188 V CB -0.867 31.041 31.823 0.141 0.000 0.635 188 V HN 0.618 nan 8.190 nan 0.000 0.445 189 I N 0.665 121.318 120.570 0.138 0.000 2.113 189 I HA -0.320 3.850 4.170 0.000 0.000 0.242 189 I C 2.592 178.801 176.117 0.154 0.000 1.057 189 I CA 2.102 63.479 61.300 0.128 0.000 1.314 189 I CB -1.195 36.866 38.000 0.102 0.000 1.022 189 I HN 0.470 nan 8.210 nan 0.000 0.408 190 G N 0.441 109.337 108.800 0.159 0.000 2.446 190 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 190 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 190 G C 1.674 176.733 174.900 0.265 0.000 1.168 190 G CA 1.115 46.326 45.100 0.184 0.000 0.771 190 G HN 0.295 nan 8.290 nan 0.000 0.551 191 V N 0.676 120.751 119.914 0.268 0.000 2.358 191 V HA -0.140 3.980 4.120 0.000 0.000 0.246 191 V C 2.597 178.908 176.094 0.362 0.000 1.047 191 V CA 2.020 64.505 62.300 0.308 0.000 1.035 191 V CB -0.558 31.426 31.823 0.267 0.000 0.658 191 V HN 0.456 nan 8.190 nan 0.000 0.452 192 E N 0.253 120.618 120.200 0.275 0.000 2.013 192 E HA -0.249 4.101 4.350 0.000 0.000 0.202 192 E C 2.186 178.904 176.600 0.197 0.000 1.018 192 E CA 1.469 58.005 56.400 0.226 0.000 0.834 192 E CB -0.329 29.474 29.700 0.173 0.000 0.770 192 E HN 0.272 nan 8.360 nan 0.000 0.459 193 L N 0.636 121.965 121.223 0.177 0.000 2.127 193 L HA -0.114 4.226 4.340 0.000 0.000 0.211 193 L C 2.384 179.380 176.870 0.209 0.000 1.089 193 L CA 1.904 56.845 54.840 0.168 0.000 0.757 193 L CB -1.452 40.724 42.059 0.196 0.000 0.899 193 L HN 0.241 nan 8.230 nan 0.000 0.434 194 G N -2.283 106.659 108.800 0.237 0.000 2.402 194 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 194 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 194 G C 1.877 176.712 174.900 -0.109 0.000 1.162 194 G CA 0.918 46.057 45.100 0.066 0.000 0.777 194 G HN 0.396 nan 8.290 nan 0.000 0.539 195 S N -0.437 115.412 115.700 0.248 0.000 2.368 195 S HA -0.107 4.363 4.470 0.000 0.000 0.225 195 S C 2.581 177.175 174.600 -0.009 0.000 1.030 195 S CA 1.275 59.598 58.200 0.205 0.000 0.999 195 S CB -0.251 63.164 63.200 0.359 0.000 0.844 195 S HN 0.165 nan 8.310 nan 0.000 0.459 196 V N 0.169 120.036 119.914 -0.078 0.000 2.231 196 V HA -0.238 3.882 4.120 0.000 0.000 0.248 196 V C 1.971 177.815 176.094 -0.417 0.000 1.054 196 V CA 2.112 64.226 62.300 -0.309 0.000 1.015 196 V CB -1.062 30.469 31.823 -0.486 0.000 0.638 196 V HN 0.659 nan 8.190 nan 0.000 0.444 197 W N -0.492 120.750 121.300 -0.097 0.000 2.402 197 W HA -0.114 4.546 4.660 0.000 0.000 0.286 197 W C 2.682 179.111 176.519 -0.150 0.000 1.221 197 W CA 1.174 58.443 57.345 -0.127 0.000 1.257 197 W CB -0.427 28.952 29.460 -0.135 0.000 1.120 197 W HN 0.182 nan 8.180 nan 0.000 0.551 198 Q N 1.338 121.112 119.800 -0.043 0.000 2.045 198 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 198 Q C 2.089 178.055 176.000 -0.057 0.000 0.991 198 Q CA 1.904 57.629 55.803 -0.131 0.000 0.851 198 Q CB -0.354 28.203 28.738 -0.302 0.000 0.911 198 Q HN 0.342 nan 8.270 nan 0.000 0.418 199 R N -0.114 120.343 120.500 -0.072 0.000 2.096 199 R HA -0.036 4.304 4.340 0.000 0.000 0.235 199 R C 2.344 178.694 176.300 0.082 0.000 1.127 199 R CA 0.934 57.015 56.100 -0.031 0.000 0.968 199 R CB -0.270 30.002 30.300 -0.046 0.000 0.861 199 R HN 0.284 nan 8.270 nan 0.000 0.440 200 L N 0.013 121.216 121.223 -0.034 0.000 2.622 200 L HA 0.021 4.361 4.340 0.000 0.000 0.233 200 L C 0.951 177.821 176.870 -0.001 0.000 1.156 200 L CA 0.814 55.580 54.840 -0.123 0.000 0.866 200 L CB -0.113 41.811 42.059 -0.226 0.000 0.980 200 L HN 0.618 nan 8.230 nan 0.000 0.448 201 G N -0.670 108.177 108.800 0.079 0.000 2.184 201 G HA2 -0.187 3.773 3.960 0.000 0.000 0.206 201 G HA3 -0.187 3.773 3.960 0.000 0.000 0.206 201 G C 0.306 175.238 174.900 0.054 0.000 0.995 201 G CA -0.093 45.057 45.100 0.084 0.000 0.651 201 G HN 0.458 nan 8.290 nan 0.000 0.511 202 A N 0.150 123.000 122.820 0.049 0.000 2.340 202 A HA 0.609 4.929 4.320 0.000 0.000 0.268 202 A C 0.095 177.653 177.584 -0.044 0.000 1.100 202 A CA 0.463 52.505 52.037 0.008 0.000 0.803 202 A CB 0.566 19.585 19.000 0.031 0.000 1.043 202 A HN 0.593 nan 8.150 nan 0.000 0.488 203 D N 1.597 121.961 120.400 -0.058 0.000 2.344 203 D HA 0.385 5.025 4.640 0.000 0.000 0.253 203 D C -0.507 175.711 176.300 -0.137 0.000 1.255 203 D CA 0.307 54.258 54.000 -0.082 0.000 0.894 203 D CB 0.329 41.095 40.800 -0.057 0.000 1.067 203 D HN 0.187 nan 8.370 nan 0.000 0.492 204 V N 3.351 123.134 119.914 -0.218 0.000 2.680 204 V HA 0.631 4.751 4.120 0.000 0.000 0.309 204 V C 0.135 176.036 176.094 -0.321 0.000 1.052 204 V CA -0.765 61.340 62.300 -0.325 0.000 0.908 204 V CB 2.150 33.609 31.823 -0.607 0.000 1.001 204 V HN 0.623 nan 8.190 nan 0.000 0.431 205 T N 2.718 117.129 114.554 -0.238 0.000 2.971 205 T HA 0.710 5.060 4.350 0.000 0.000 0.304 205 T C -0.402 174.228 174.700 -0.115 0.000 1.038 205 T CA -0.359 61.645 62.100 -0.161 0.000 1.007 205 T CB 1.744 70.557 68.868 -0.092 0.000 1.055 205 T HN 1.012 nan 8.240 nan 0.000 0.451 206 A N 2.533 125.278 122.820 -0.126 0.000 2.292 206 A HA 0.757 5.077 4.320 0.000 0.000 0.319 206 A C -0.326 177.283 177.584 0.042 0.000 1.206 206 A CA -0.622 51.401 52.037 -0.024 0.000 0.835 206 A CB 0.719 19.729 19.000 0.016 0.000 1.164 206 A HN 0.692 nan 8.150 nan 0.000 0.505 207 V N 2.972 122.919 119.914 0.055 0.000 2.328 207 V HA 0.339 4.459 4.120 0.000 0.000 0.278 207 V C -0.223 175.942 176.094 0.119 0.000 1.021 207 V CA -0.314 62.036 62.300 0.083 0.000 0.838 207 V CB 1.048 32.897 31.823 0.043 0.000 0.999 207 V HN 0.945 nan 8.190 nan 0.000 0.447 208 E N 3.152 123.446 120.200 0.157 0.000 2.151 208 E HA 0.324 4.674 4.350 0.000 0.000 0.275 208 E C 0.291 177.009 176.600 0.197 0.000 0.936 208 E CA -0.680 55.822 56.400 0.170 0.000 0.777 208 E CB 1.175 30.957 29.700 0.136 0.000 1.108 208 E HN 0.417 nan 8.360 nan 0.000 0.401 209 F N 4.994 124.994 119.950 0.083 0.000 2.091 209 F HA -0.109 4.418 4.527 0.000 0.000 0.299 209 F C 0.470 176.317 175.800 0.079 0.000 1.103 209 F CA 1.242 59.293 58.000 0.085 0.000 1.228 209 F CB 0.103 39.162 39.000 0.098 0.000 0.984 209 F HN 0.381 nan 8.300 nan 0.000 0.477 210 L N -0.267 121.007 121.223 0.084 0.000 2.482 210 L HA 0.185 4.525 4.340 0.000 0.000 0.242 210 L C 1.873 178.758 176.870 0.024 0.000 1.210 210 L CA 0.789 55.632 54.840 0.004 0.000 0.819 210 L CB -0.682 41.471 42.059 0.157 0.000 1.203 210 L HN 0.188 nan 8.230 nan 0.000 0.495 211 G N -1.236 107.619 108.800 0.092 0.000 3.371 211 G HA2 0.182 4.142 3.960 0.000 0.000 0.248 211 G HA3 0.182 4.142 3.960 0.000 0.000 0.248 211 G C 0.084 175.067 174.900 0.138 0.000 1.161 211 G CA 0.170 45.309 45.100 0.066 0.000 0.796 211 G HN 0.870 nan 8.290 nan 0.000 0.539 212 H N -3.905 115.136 119.070 -0.049 0.000 3.014 212 H HA 0.641 5.197 4.556 0.000 0.000 0.337 212 H C -1.632 173.666 175.328 -0.051 0.000 1.320 212 H CA -1.215 54.787 56.048 -0.076 0.000 1.128 212 H CB 1.306 31.024 29.762 -0.073 0.000 1.862 212 H HN -0.091 nan 8.280 nan 0.000 0.536 213 V N 0.790 120.546 119.914 -0.262 0.000 2.612 213 V HA 0.606 4.726 4.120 0.000 0.000 0.301 213 V C 1.104 177.122 176.094 -0.126 0.000 1.046 213 V CA 0.438 62.600 62.300 -0.231 0.000 0.946 213 V CB 0.807 32.456 31.823 -0.290 0.000 1.003 213 V HN 1.310 nan 8.190 nan 0.000 0.459 214 G N 1.530 110.306 108.800 -0.040 0.000 2.421 214 G HA2 0.352 4.312 3.960 0.000 0.000 0.188 214 G HA3 0.352 4.312 3.960 0.000 0.000 0.188 214 G C 0.719 175.692 174.900 0.122 0.000 1.001 214 G CA 0.239 45.390 45.100 0.085 0.000 0.693 214 G HN 2.151 nan 8.290 nan 0.000 0.479 215 G N -1.416 107.399 108.800 0.025 0.000 2.475 215 G HA2 0.229 4.189 3.960 0.000 0.000 0.223 215 G HA3 0.229 4.189 3.960 0.000 0.000 0.223 215 G C -0.176 174.837 174.900 0.190 0.000 1.201 215 G CA 0.418 45.592 45.100 0.125 0.000 0.962 215 G HN 1.644 nan 8.290 nan 0.000 0.586 216 V N -0.129 119.915 119.914 0.216 0.000 2.495 216 V HA 0.767 4.887 4.120 0.000 0.000 0.298 216 V C 1.311 177.519 176.094 0.189 0.000 1.031 216 V CA 0.815 63.229 62.300 0.191 0.000 0.871 216 V CB 0.333 32.248 31.823 0.154 0.000 0.988 216 V HN 2.924 nan 8.190 nan 0.000 0.432 217 G N 3.566 112.397 108.800 0.052 0.000 2.259 217 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 217 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 217 G C 0.088 174.649 174.900 -0.565 0.000 1.001 217 G CA -0.178 44.889 45.100 -0.055 0.000 0.627 217 G HN 0.714 nan 8.290 nan 0.000 0.501 218 I N 2.074 122.241 120.570 -0.672 0.000 2.775 218 I HA 0.311 4.481 4.170 0.000 0.000 0.290 218 I C 0.437 176.191 176.117 -0.605 0.000 1.203 218 I CA -0.852 59.886 61.300 -0.938 0.000 1.433 218 I CB -0.189 37.551 38.000 -0.434 0.000 1.354 218 I HN 0.235 nan 8.210 nan 0.000 0.579 219 D N 5.702 125.692 120.400 -0.682 0.000 2.382 219 D HA 0.050 4.690 4.640 0.000 0.000 0.259 219 D C 1.208 177.297 176.300 -0.352 0.000 1.224 219 D CA -0.300 53.362 54.000 -0.562 0.000 0.894 219 D CB 0.797 41.108 40.800 -0.815 0.000 1.127 219 D HN 0.321 nan 8.370 nan 0.000 0.487 220 M N 2.634 122.064 119.600 -0.283 0.000 2.226 220 M HA -0.204 4.276 4.480 0.000 0.000 0.257 220 M C 1.854 178.061 176.300 -0.155 0.000 1.070 220 M CA 1.646 56.822 55.300 -0.206 0.000 1.087 220 M CB -1.134 31.349 32.600 -0.194 0.000 1.278 220 M HN 0.650 nan 8.290 nan 0.000 0.426 221 E N 0.414 120.518 120.200 -0.160 0.000 2.169 221 E HA -0.229 4.121 4.350 0.000 0.000 0.202 221 E C 1.845 178.385 176.600 -0.101 0.000 1.016 221 E CA 1.986 58.315 56.400 -0.119 0.000 0.817 221 E CB -0.252 29.376 29.700 -0.119 0.000 0.736 221 E HN 0.753 nan 8.360 nan 0.000 0.462 222 I N -2.635 117.856 120.570 -0.131 0.000 2.867 222 I HA -0.016 4.154 4.170 0.000 0.000 0.265 222 I C 2.490 178.598 176.117 -0.014 0.000 1.162 222 I CA 0.813 62.071 61.300 -0.070 0.000 1.471 222 I CB -0.361 37.595 38.000 -0.072 0.000 1.123 222 I HN -0.099 nan 8.210 nan 0.000 0.440 223 S N 2.029 117.701 115.700 -0.046 0.000 2.365 223 S HA -0.215 4.255 4.470 0.000 0.000 0.225 223 S C 2.052 176.674 174.600 0.037 0.000 1.039 223 S CA 1.812 60.037 58.200 0.042 0.000 1.033 223 S CB -0.226 63.007 63.200 0.055 0.000 0.887 223 S HN 0.386 nan 8.310 nan 0.000 0.447 224 K N 1.638 122.026 120.400 -0.020 0.000 2.147 224 K HA 0.076 4.396 4.320 0.000 0.000 0.205 224 K C 1.887 178.463 176.600 -0.041 0.000 1.049 224 K CA 1.250 57.509 56.287 -0.048 0.000 0.936 224 K CB -1.048 31.422 32.500 -0.050 0.000 0.722 224 K HN 0.612 nan 8.250 nan 0.000 0.446 225 N N -0.469 118.230 118.700 -0.001 0.000 2.173 225 N HA -0.102 4.638 4.740 0.000 0.000 0.184 225 N C 1.577 177.121 175.510 0.057 0.000 1.025 225 N CA 0.421 53.482 53.050 0.019 0.000 0.852 225 N CB -0.191 38.314 38.487 0.030 0.000 0.998 225 N HN -0.003 nan 8.380 nan 0.000 0.427 226 F N 2.726 122.635 119.950 -0.069 0.000 2.063 226 F HA -0.282 4.245 4.527 0.000 0.000 0.298 226 F C 2.591 178.319 175.800 -0.121 0.000 1.109 226 F CA 1.700 59.657 58.000 -0.072 0.000 1.212 226 F CB -0.734 38.226 39.000 -0.067 0.000 0.973 226 F HN 0.061 nan 8.300 nan 0.000 0.480 227 Q N -0.058 119.548 119.800 -0.323 0.000 2.096 227 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 227 Q C 2.575 178.383 176.000 -0.319 0.000 0.982 227 Q CA 1.883 57.372 55.803 -0.524 0.000 0.850 227 Q CB -0.332 28.125 28.738 -0.469 0.000 0.901 227 Q HN 0.445 nan 8.270 nan 0.000 0.422 228 R N -0.173 120.225 120.500 -0.169 0.000 2.090 228 R HA -0.098 4.242 4.340 0.000 0.000 0.228 228 R C 2.125 178.393 176.300 -0.054 0.000 1.110 228 R CA 0.925 56.976 56.100 -0.083 0.000 0.973 228 R CB -0.003 30.270 30.300 -0.044 0.000 0.869 228 R HN 0.315 nan 8.270 nan 0.000 0.440 229 I N 1.009 121.541 120.570 -0.063 0.000 2.179 229 I HA -0.263 3.907 4.170 0.000 0.000 0.242 229 I C 2.243 178.336 176.117 -0.039 0.000 1.088 229 I CA 0.980 62.269 61.300 -0.018 0.000 1.357 229 I CB -1.128 36.887 38.000 0.026 0.000 1.051 229 I HN 0.199 nan 8.210 nan 0.000 0.409 230 L N 0.624 121.747 121.223 -0.168 0.000 2.043 230 L HA -0.223 4.117 4.340 0.000 0.000 0.212 230 L C 2.644 179.561 176.870 0.079 0.000 1.075 230 L CA 1.808 56.581 54.840 -0.112 0.000 0.752 230 L CB -1.207 40.643 42.059 -0.347 0.000 0.891 230 L HN 0.389 nan 8.230 nan 0.000 0.432 231 Q N -1.202 118.640 119.800 0.070 0.000 2.172 231 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 231 Q C 1.958 178.017 176.000 0.099 0.000 0.964 231 Q CA 0.753 56.638 55.803 0.137 0.000 0.855 231 Q CB -0.052 28.760 28.738 0.123 0.000 0.918 231 Q HN 0.360 nan 8.270 nan 0.000 0.444 232 K N 1.088 121.529 120.400 0.068 0.000 2.211 232 K HA -0.160 4.160 4.320 0.000 0.000 0.204 232 K C 1.834 178.483 176.600 0.082 0.000 1.047 232 K CA 1.169 57.496 56.287 0.068 0.000 0.935 232 K CB -0.161 32.374 32.500 0.059 0.000 0.728 232 K HN 0.419 nan 8.250 nan 0.000 0.452 233 Q N -0.784 119.071 119.800 0.091 0.000 2.167 233 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 233 Q C 1.132 177.180 176.000 0.081 0.000 0.970 233 Q CA 1.297 57.152 55.803 0.085 0.000 0.855 233 Q CB 0.191 28.979 28.738 0.082 0.000 0.911 233 Q HN 0.592 nan 8.270 nan 0.000 0.438 234 G N -0.308 108.558 108.800 0.110 0.000 2.318 234 G HA2 -0.200 3.760 3.960 0.000 0.000 0.172 234 G HA3 -0.200 3.760 3.960 0.000 0.000 0.172 234 G C -0.411 174.554 174.900 0.107 0.000 1.002 234 G CA -0.616 44.536 45.100 0.087 0.000 0.697 234 G HN 0.226 nan 8.290 nan 0.000 0.483 235 F N 3.104 123.048 119.950 -0.010 0.000 2.471 235 F HA 0.654 5.181 4.527 0.000 0.000 0.365 235 F C 0.691 176.435 175.800 -0.094 0.000 1.095 235 F CA -0.536 57.414 58.000 -0.083 0.000 1.174 235 F CB 0.639 39.616 39.000 -0.038 0.000 1.105 235 F HN -0.037 nan 8.300 nan 0.000 0.535 236 K N 5.087 125.573 120.400 0.142 0.000 2.110 236 K HA 0.552 4.872 4.320 0.000 0.000 0.263 236 K C -1.403 175.103 176.600 -0.156 0.000 0.975 236 K CA -0.276 56.057 56.287 0.077 0.000 0.895 236 K CB 1.106 33.623 32.500 0.029 0.000 1.060 236 K HN 0.404 nan 8.250 nan 0.000 0.448 237 F N 1.254 121.268 119.950 0.107 0.000 2.556 237 F HA 0.380 4.907 4.527 0.000 0.000 0.314 237 F C -0.177 175.648 175.800 0.042 0.000 1.106 237 F CA -0.996 57.044 58.000 0.067 0.000 0.911 237 F CB 1.764 40.762 39.000 -0.004 0.000 1.190 237 F HN 0.006 nan 8.300 nan 0.000 0.448 238 K N 4.924 125.453 120.400 0.215 0.000 2.464 238 K HA 0.491 4.811 4.320 0.000 0.000 0.252 238 K C -0.674 176.014 176.600 0.146 0.000 1.000 238 K CA -0.224 56.148 56.287 0.140 0.000 0.951 238 K CB 1.508 34.062 32.500 0.090 0.000 1.183 238 K HN 0.596 nan 8.250 nan 0.000 0.445 239 L N 1.114 122.406 121.223 0.115 0.000 2.469 239 L HA 0.243 4.583 4.340 0.000 0.000 0.253 239 L C 0.673 177.568 176.870 0.041 0.000 1.143 239 L CA -0.495 54.392 54.840 0.078 0.000 0.804 239 L CB 0.182 42.264 42.059 0.038 0.000 1.214 239 L HN 0.706 nan 8.230 nan 0.000 0.476 240 N N -0.848 117.851 118.700 -0.002 0.000 2.710 240 N HA -0.188 4.552 4.740 0.000 0.000 0.249 240 N C -1.025 174.472 175.510 -0.021 0.000 1.059 240 N CA 0.928 53.934 53.050 -0.073 0.000 0.720 240 N CB -0.887 37.559 38.487 -0.068 0.000 0.983 240 N HN 0.751 nan 8.380 nan 0.000 0.544 241 T N -2.627 111.964 114.554 0.061 0.000 2.906 241 T HA 0.612 4.962 4.350 0.000 0.000 0.295 241 T C -0.164 174.689 174.700 0.255 0.000 1.061 241 T CA -1.188 60.987 62.100 0.124 0.000 1.000 241 T CB 2.787 71.713 68.868 0.096 0.000 1.103 241 T HN 0.269 nan 8.240 nan 0.000 0.486 242 K N -0.187 120.381 120.400 0.281 0.000 2.303 242 K HA 0.824 5.144 4.320 0.000 0.000 0.233 242 K C -0.764 175.957 176.600 0.203 0.000 1.046 242 K CA -1.148 55.331 56.287 0.319 0.000 0.895 242 K CB 1.579 34.274 32.500 0.324 0.000 1.220 242 K HN 0.554 nan 8.250 nan 0.000 0.470 243 V N -1.329 118.717 119.914 0.220 0.000 2.409 243 V HA 0.224 4.344 4.120 0.000 0.000 0.291 243 V C 0.745 176.960 176.094 0.202 0.000 1.020 243 V CA -0.692 61.702 62.300 0.158 0.000 0.848 243 V CB 1.007 32.851 31.823 0.036 0.000 0.990 243 V HN 0.937 nan 8.190 nan 0.000 0.430 244 T N 3.565 118.197 114.554 0.130 0.000 2.665 244 T HA 0.195 4.545 4.350 0.000 0.000 0.268 244 T C 0.931 175.706 174.700 0.125 0.000 1.035 244 T CA 2.158 64.323 62.100 0.107 0.000 1.151 244 T CB -0.344 68.566 68.868 0.071 0.000 0.862 244 T HN 1.531 nan 8.240 nan 0.000 0.438 245 G N -0.810 108.062 108.800 0.120 0.000 2.325 245 G HA2 0.588 4.548 3.960 0.000 0.000 0.295 245 G HA3 0.588 4.548 3.960 0.000 0.000 0.295 245 G C -2.146 172.792 174.900 0.064 0.000 1.274 245 G CA -0.252 44.922 45.100 0.122 0.000 0.857 245 G HN 0.524 nan 8.290 nan 0.000 0.499 246 A N -1.344 121.506 122.820 0.050 0.000 2.594 246 A HA 1.023 5.343 4.320 0.000 0.000 0.291 246 A C -0.443 177.150 177.584 0.015 0.000 1.105 246 A CA 0.172 52.217 52.037 0.013 0.000 0.694 246 A CB 1.895 20.890 19.000 -0.008 0.000 1.291 246 A HN 2.242 nan 8.150 nan 0.000 0.410 247 T N -0.070 114.485 114.554 0.001 0.000 2.942 247 T HA 0.504 4.854 4.350 0.000 0.000 0.327 247 T C -1.509 173.185 174.700 -0.009 0.000 1.360 247 T CA -0.597 61.503 62.100 0.000 0.000 1.055 247 T CB 0.984 69.855 68.868 0.005 0.000 1.261 247 T HN 0.647 nan 8.240 nan 0.000 0.485 248 K N 3.363 123.757 120.400 -0.010 0.000 2.234 248 K HA 0.450 4.770 4.320 0.000 0.000 0.282 248 K C 0.270 176.861 176.600 -0.015 0.000 1.039 248 K CA -0.964 55.314 56.287 -0.016 0.000 0.928 248 K CB 0.794 33.285 32.500 -0.016 0.000 1.039 248 K HN 0.365 nan 8.250 nan 0.000 0.470 249 K N 0.968 121.356 120.400 -0.019 0.000 2.098 249 K HA 0.059 4.379 4.320 0.000 0.000 0.257 249 K C 1.257 177.847 176.600 -0.017 0.000 0.999 249 K CA -0.061 56.216 56.287 -0.017 0.000 0.924 249 K CB 1.431 33.919 32.500 -0.019 0.000 1.028 249 K HN 0.720 nan 8.250 nan 0.000 0.466 250 S N 0.333 116.024 115.700 -0.014 0.000 2.400 250 S HA -0.192 4.278 4.470 0.000 0.000 0.232 250 S C 0.982 175.572 174.600 -0.016 0.000 1.025 250 S CA 1.716 59.907 58.200 -0.014 0.000 0.993 250 S CB -0.346 62.847 63.200 -0.011 0.000 0.808 250 S HN 0.694 nan 8.310 nan 0.000 0.478 251 D N 0.121 120.510 120.400 -0.018 0.000 2.328 251 D HA 0.350 4.990 4.640 0.000 0.000 0.226 251 D C 1.392 177.676 176.300 -0.026 0.000 1.066 251 D CA 0.549 54.537 54.000 -0.021 0.000 0.861 251 D CB -0.428 40.359 40.800 -0.021 0.000 0.912 251 D HN 0.573 nan 8.370 nan 0.000 0.521 252 G N -0.208 108.576 108.800 -0.027 0.000 2.254 252 G HA2 -0.276 3.684 3.960 0.000 0.000 0.225 252 G HA3 -0.276 3.684 3.960 0.000 0.000 0.225 252 G C 0.506 175.383 174.900 -0.039 0.000 1.003 252 G CA 0.025 45.104 45.100 -0.034 0.000 0.622 252 G HN 0.360 nan 8.290 nan 0.000 0.507 253 K N 0.253 120.630 120.400 -0.038 0.000 2.143 253 K HA 0.577 4.897 4.320 0.000 0.000 0.239 253 K C 0.257 176.833 176.600 -0.040 0.000 1.048 253 K CA 0.148 56.409 56.287 -0.042 0.000 0.867 253 K CB 0.709 33.186 32.500 -0.038 0.000 1.088 253 K HN 0.371 nan 8.250 nan 0.000 0.510 254 I N 1.249 121.793 120.570 -0.043 0.000 2.478 254 I HA 0.100 4.270 4.170 0.000 0.000 0.287 254 I C -0.865 175.231 176.117 -0.035 0.000 1.042 254 I CA -0.781 60.495 61.300 -0.040 0.000 1.067 254 I CB 2.037 40.007 38.000 -0.050 0.000 1.233 254 I HN 0.279 nan 8.210 nan 0.000 0.431 255 D N 6.281 126.666 120.400 -0.025 0.000 2.313 255 D HA 0.305 4.945 4.640 0.000 0.000 0.239 255 D C -0.221 176.068 176.300 -0.018 0.000 1.142 255 D CA 0.020 54.008 54.000 -0.020 0.000 0.847 255 D CB 2.056 42.849 40.800 -0.011 0.000 1.082 255 D HN 0.282 nan 8.370 nan 0.000 0.480 256 V N 0.318 120.218 119.914 -0.023 0.000 2.732 256 V HA 0.663 4.783 4.120 0.000 0.000 0.310 256 V C -0.015 176.076 176.094 -0.005 0.000 1.053 256 V CA -0.514 61.774 62.300 -0.021 0.000 0.957 256 V CB 2.080 33.875 31.823 -0.048 0.000 1.018 256 V HN 0.312 nan 8.190 nan 0.000 0.452 257 S N 4.931 120.638 115.700 0.011 0.000 2.498 257 S HA 0.708 5.178 4.470 0.000 0.000 0.324 257 S C -0.306 174.318 174.600 0.040 0.000 1.071 257 S CA -0.463 57.753 58.200 0.027 0.000 1.113 257 S CB 0.521 63.742 63.200 0.036 0.000 0.976 257 S HN 0.965 nan 8.310 nan 0.000 0.462 258 I N 0.748 121.342 120.570 0.038 0.000 2.822 258 I HA 0.846 5.016 4.170 0.000 0.000 0.312 258 I C -0.260 175.894 176.117 0.061 0.000 1.011 258 I CA -0.607 60.725 61.300 0.054 0.000 1.105 258 I CB 1.255 39.282 38.000 0.044 0.000 1.291 258 I HN 0.614 nan 8.210 nan 0.000 0.474 259 E N 3.057 123.303 120.200 0.078 0.000 2.481 259 E HA 0.543 4.893 4.350 0.000 0.000 0.301 259 E C -1.504 175.146 176.600 0.083 0.000 0.948 259 E CA -0.924 55.519 56.400 0.071 0.000 0.804 259 E CB 1.586 31.328 29.700 0.070 0.000 1.265 259 E HN 1.165 nan 8.360 nan 0.000 0.406 260 A N 3.053 125.910 122.820 0.062 0.000 2.584 260 A HA 0.324 4.644 4.320 0.000 0.000 0.239 260 A C 1.444 179.067 177.584 0.065 0.000 1.043 260 A CA 0.941 53.009 52.037 0.052 0.000 0.756 260 A CB 0.249 19.266 19.000 0.029 0.000 0.963 260 A HN 0.957 nan 8.150 nan 0.000 0.511 261 A N 2.963 125.816 122.820 0.054 0.000 1.915 261 A HA -0.187 4.133 4.320 0.000 0.000 0.220 261 A C 2.452 180.084 177.584 0.079 0.000 1.198 261 A CA 2.891 54.980 52.037 0.086 0.000 0.647 261 A CB -1.221 17.654 19.000 -0.208 0.000 0.825 261 A HN 1.670 nan 8.150 nan 0.000 0.456 262 S N -0.648 115.062 115.700 0.016 0.000 2.321 262 S HA 0.311 4.781 4.470 0.000 0.000 0.188 262 S C 1.776 176.398 174.600 0.037 0.000 1.080 262 S CA 0.724 58.937 58.200 0.021 0.000 1.198 262 S CB -1.511 61.687 63.200 -0.005 0.000 0.926 262 S HN 0.853 nan 8.310 nan 0.000 0.426 263 G N 0.829 109.644 108.800 0.026 0.000 2.519 263 G HA2 0.405 4.365 3.960 0.000 0.000 0.161 263 G HA3 0.405 4.365 3.960 0.000 0.000 0.161 263 G C 0.405 175.327 174.900 0.037 0.000 1.671 263 G CA 0.060 45.177 45.100 0.027 0.000 1.028 263 G HN 1.511 nan 8.290 nan 0.000 0.486 264 G N -1.230 107.589 108.800 0.033 0.000 4.193 264 G HA2 0.383 4.343 3.960 0.000 0.000 0.265 264 G HA3 0.383 4.343 3.960 0.000 0.000 0.265 264 G C -0.445 174.474 174.900 0.032 0.000 3.257 264 G CA -0.454 44.669 45.100 0.037 0.000 0.596 264 G HN 0.224 nan 8.290 nan 0.000 0.281 265 K N 1.958 122.377 120.400 0.031 0.000 2.142 265 K HA 0.549 4.869 4.320 0.000 0.000 0.250 265 K C 1.172 177.790 176.600 0.030 0.000 1.148 265 K CA -0.154 56.149 56.287 0.027 0.000 1.040 265 K CB 0.554 33.069 32.500 0.025 0.000 1.569 265 K HN 0.698 nan 8.250 nan 0.000 0.361 266 A N 2.043 124.881 122.820 0.030 0.000 2.582 266 A HA 0.015 4.335 4.320 0.000 0.000 0.248 266 A C 0.205 177.805 177.584 0.027 0.000 1.127 266 A CA 0.680 52.735 52.037 0.030 0.000 0.822 266 A CB 0.179 19.194 19.000 0.026 0.000 1.069 266 A HN 0.721 nan 8.150 nan 0.000 0.522 267 E N -2.276 117.939 120.200 0.025 0.000 2.693 267 E HA 0.263 4.613 4.350 0.000 0.000 0.293 267 E C -2.242 174.369 176.600 0.019 0.000 1.208 267 E CA -0.409 56.003 56.400 0.021 0.000 0.988 267 E CB 0.478 30.192 29.700 0.023 0.000 1.101 267 E HN 0.637 nan 8.360 nan 0.000 0.442 268 V N 4.658 124.579 119.914 0.012 0.000 2.531 268 V HA 0.558 4.678 4.120 0.000 0.000 0.301 268 V C -0.266 175.828 176.094 -0.001 0.000 1.034 268 V CA -0.509 61.795 62.300 0.006 0.000 0.865 268 V CB 1.665 33.491 31.823 0.005 0.000 0.995 268 V HN 0.506 nan 8.190 nan 0.000 0.424 269 I N 3.662 124.228 120.570 -0.007 0.000 2.378 269 I HA 0.378 4.548 4.170 0.000 0.000 0.291 269 I C 0.140 176.242 176.117 -0.024 0.000 0.992 269 I CA -0.174 61.117 61.300 -0.015 0.000 1.154 269 I CB 2.169 40.157 38.000 -0.020 0.000 1.315 269 I HN 0.582 nan 8.210 nan 0.000 0.448 270 T N 6.338 120.877 114.554 -0.026 0.000 2.767 270 T HA 0.556 4.906 4.350 0.000 0.000 0.284 270 T C -0.537 174.137 174.700 -0.043 0.000 0.973 270 T CA -0.422 61.659 62.100 -0.031 0.000 0.996 270 T CB 0.214 69.067 68.868 -0.025 0.000 0.927 270 T HN 0.778 nan 8.240 nan 0.000 0.456 271 C N 2.737 122.005 119.300 -0.052 0.000 3.171 271 C HA 0.681 5.141 4.460 0.000 0.000 0.308 271 C C 0.949 175.895 174.990 -0.075 0.000 1.334 271 C CA -0.694 58.283 59.018 -0.068 0.000 1.473 271 C CB 0.950 28.642 27.740 -0.080 0.000 1.866 271 C HN 0.789 nan 8.230 nan 0.000 0.465 272 D N -0.002 120.345 120.400 -0.090 0.000 2.216 272 D HA 0.211 4.851 4.640 0.000 0.000 0.208 272 D C 0.298 176.527 176.300 -0.118 0.000 0.960 272 D CA 1.227 55.169 54.000 -0.098 0.000 0.861 272 D CB 0.388 41.124 40.800 -0.106 0.000 0.985 272 D HN 0.503 nan 8.370 nan 0.000 0.493 273 V N 0.799 120.628 119.914 -0.142 0.000 2.841 273 V HA 0.443 4.563 4.120 0.000 0.000 0.310 273 V C -1.288 174.722 176.094 -0.141 0.000 1.090 273 V CA -1.046 61.157 62.300 -0.160 0.000 0.930 273 V CB 2.519 34.199 31.823 -0.237 0.000 1.014 273 V HN -0.048 nan 8.190 nan 0.000 0.425 274 L N 5.275 126.425 121.223 -0.122 0.000 2.356 274 L HA 0.683 5.023 4.340 0.000 0.000 0.277 274 L C -1.305 175.503 176.870 -0.103 0.000 0.996 274 L CA -0.123 54.651 54.840 -0.110 0.000 0.822 274 L CB 1.536 43.534 42.059 -0.101 0.000 1.256 274 L HN 0.657 nan 8.230 nan 0.000 0.413 275 L N 6.543 127.710 121.223 -0.093 0.000 2.298 275 L HA 0.550 4.890 4.340 0.000 0.000 0.284 275 L C -1.192 175.645 176.870 -0.054 0.000 1.013 275 L CA -0.704 54.097 54.840 -0.064 0.000 0.824 275 L CB 1.789 43.825 42.059 -0.040 0.000 1.221 275 L HN 0.532 nan 8.230 nan 0.000 0.418 276 V N 5.146 125.035 119.914 -0.041 0.000 2.320 276 V HA 0.152 4.272 4.120 0.000 0.000 0.265 276 V C 0.164 176.268 176.094 0.015 0.000 1.048 276 V CA -0.304 61.974 62.300 -0.036 0.000 0.865 276 V CB 0.650 32.459 31.823 -0.023 0.000 1.043 276 V HN 0.849 nan 8.190 nan 0.000 0.474 277 C N 6.147 125.463 119.300 0.028 0.000 2.878 277 C HA 0.368 4.828 4.460 0.000 0.000 0.313 277 C C 1.644 176.682 174.990 0.081 0.000 1.397 277 C CA -0.390 58.665 59.018 0.062 0.000 1.636 277 C CB -1.032 26.754 27.740 0.077 0.000 2.075 277 C HN 0.727 nan 8.230 nan 0.000 0.518 278 I N 1.714 122.344 120.570 0.099 0.000 2.617 278 I HA 0.208 4.378 4.170 0.000 0.000 0.256 278 I C 1.554 177.737 176.117 0.110 0.000 1.167 278 I CA 1.178 62.559 61.300 0.134 0.000 1.469 278 I CB -0.979 37.155 38.000 0.223 0.000 1.098 278 I HN 0.707 nan 8.210 nan 0.000 0.436 279 G N 0.140 108.996 108.800 0.094 0.000 2.324 279 G HA2 0.336 4.296 3.960 0.000 0.000 0.293 279 G HA3 0.336 4.296 3.960 0.000 0.000 0.293 279 G C -0.935 174.007 174.900 0.070 0.000 1.297 279 G CA -0.958 44.190 45.100 0.081 0.000 0.853 279 G HN -0.050 nan 8.290 nan 0.000 0.535 280 R N -0.472 120.067 120.500 0.065 0.000 2.795 280 R HA 0.760 5.100 4.340 0.000 0.000 0.275 280 R C -0.384 175.954 176.300 0.062 0.000 0.981 280 R CA -0.923 55.213 56.100 0.059 0.000 0.917 280 R CB 2.771 33.102 30.300 0.051 0.000 1.202 280 R HN 0.912 nan 8.270 nan 0.000 0.469 281 R N 0.016 120.559 120.500 0.072 0.000 2.774 281 R HA 0.558 4.898 4.340 0.000 0.000 0.272 281 R C -3.083 173.280 176.300 0.105 0.000 1.000 281 R CA -2.237 53.910 56.100 0.078 0.000 0.906 281 R CB 1.471 31.815 30.300 0.072 0.000 1.227 281 R HN 0.229 nan 8.270 nan 0.000 0.468 282 P HA 0.066 nan 4.420 nan 0.000 0.276 282 P C -1.413 175.986 177.300 0.165 0.000 1.230 282 P CA -0.149 63.019 63.100 0.112 0.000 0.776 282 P CB 0.265 32.007 31.700 0.070 0.000 0.888 283 F N 3.343 123.309 119.950 0.027 0.000 2.332 283 F HA 0.309 4.836 4.527 0.000 0.000 0.368 283 F C 0.516 176.343 175.800 0.045 0.000 1.110 283 F CA 0.016 58.036 58.000 0.034 0.000 1.087 283 F CB 0.742 39.759 39.000 0.027 0.000 1.235 283 F HN 0.177 nan 8.300 nan 0.000 0.470 284 T N 2.590 116.908 114.554 -0.393 0.000 2.990 284 T HA 0.109 4.459 4.350 0.000 0.000 0.249 284 T C 0.532 174.936 174.700 -0.494 0.000 1.039 284 T CA -0.360 61.541 62.100 -0.331 0.000 1.036 284 T CB -0.111 68.669 68.868 -0.147 0.000 0.994 284 T HN 0.382 nan 8.240 nan 0.000 0.489 285 K N 3.222 123.193 120.400 -0.716 0.000 2.408 285 K HA -0.195 4.125 4.320 0.000 0.000 0.253 285 K C 0.383 176.827 176.600 -0.260 0.000 1.083 285 K CA 0.350 56.360 56.287 -0.461 0.000 1.172 285 K CB -0.137 32.102 32.500 -0.436 0.000 0.760 285 K HN 0.204 nan 8.250 nan 0.000 0.492 286 N N 2.077 120.685 118.700 -0.154 0.000 2.747 286 N HA -0.213 4.527 4.740 0.000 0.000 0.249 286 N C 0.077 175.531 175.510 -0.093 0.000 1.107 286 N CA 0.553 53.521 53.050 -0.137 0.000 0.707 286 N CB -0.702 37.655 38.487 -0.216 0.000 1.054 286 N HN 0.477 nan 8.380 nan 0.000 0.555 287 L N -0.125 121.061 121.223 -0.062 0.000 2.270 287 L HA 0.277 4.617 4.340 0.000 0.000 0.210 287 L C 1.838 178.698 176.870 -0.016 0.000 1.104 287 L CA 2.091 56.927 54.840 -0.007 0.000 0.804 287 L CB -0.449 41.606 42.059 -0.007 0.000 0.937 287 L HN 0.505 nan 8.230 nan 0.000 0.450 288 G N -0.323 108.455 108.800 -0.037 0.000 2.132 288 G HA2 -0.220 3.740 3.960 0.000 0.000 0.228 288 G HA3 -0.220 3.740 3.960 0.000 0.000 0.228 288 G C 0.316 175.205 174.900 -0.018 0.000 1.000 288 G CA 0.373 45.455 45.100 -0.029 0.000 0.693 288 G HN 0.363 nan 8.290 nan 0.000 0.515 289 L N -2.568 118.643 121.223 -0.020 0.000 2.912 289 L HA 0.717 5.057 4.340 0.000 0.000 0.240 289 L C 0.922 177.782 176.870 -0.017 0.000 1.262 289 L CA -0.272 54.560 54.840 -0.013 0.000 1.058 289 L CB -0.502 41.553 42.059 -0.006 0.000 1.383 289 L HN 0.267 nan 8.230 nan 0.000 0.512 290 E N 0.451 120.638 120.200 -0.022 0.000 2.288 290 E HA 0.030 4.380 4.350 0.000 0.000 0.200 290 E C 1.036 177.626 176.600 -0.017 0.000 0.880 290 E CA 0.498 56.885 56.400 -0.021 0.000 0.971 290 E CB 0.091 29.776 29.700 -0.026 0.000 0.954 290 E HN 0.558 nan 8.360 nan 0.000 0.489 291 E N 1.523 121.712 120.200 -0.018 0.000 2.335 291 E HA -0.055 4.295 4.350 0.000 0.000 0.191 291 E C -0.023 176.569 176.600 -0.012 0.000 1.150 291 E CA 0.390 56.781 56.400 -0.015 0.000 1.001 291 E CB 0.244 29.934 29.700 -0.017 0.000 1.127 291 E HN 0.121 nan 8.360 nan 0.000 0.462 292 L N 0.122 121.338 121.223 -0.011 0.000 2.980 292 L HA 0.297 4.637 4.340 0.000 0.000 0.314 292 L C 0.924 177.788 176.870 -0.009 0.000 1.303 292 L CA 0.300 55.135 54.840 -0.008 0.000 0.785 292 L CB 0.899 42.955 42.059 -0.006 0.000 1.190 292 L HN 0.264 nan 8.230 nan 0.000 0.567 293 G N 0.908 109.702 108.800 -0.010 0.000 2.380 293 G HA2 -0.308 3.652 3.960 0.000 0.000 0.298 293 G HA3 -0.308 3.652 3.960 0.000 0.000 0.298 293 G C 0.451 175.345 174.900 -0.010 0.000 0.989 293 G CA 0.826 45.919 45.100 -0.010 0.000 0.836 293 G HN 0.419 nan 8.290 nan 0.000 0.511 294 I N 0.064 120.628 120.570 -0.010 0.000 2.307 294 I HA 0.322 4.492 4.170 0.000 0.000 0.289 294 I C 0.689 176.801 176.117 -0.008 0.000 1.021 294 I CA -1.031 60.264 61.300 -0.008 0.000 1.224 294 I CB 1.165 39.162 38.000 -0.005 0.000 1.376 294 I HN -0.060 nan 8.210 nan 0.000 0.470 295 E N 5.579 125.774 120.200 -0.007 0.000 2.766 295 E HA 0.535 4.885 4.350 0.000 0.000 0.261 295 E C -0.991 175.606 176.600 -0.004 0.000 1.427 295 E CA 0.070 56.466 56.400 -0.007 0.000 1.085 295 E CB 0.544 30.241 29.700 -0.006 0.000 1.074 295 E HN 0.342 nan 8.360 nan 0.000 0.651 296 L N 0.561 121.782 121.223 -0.003 0.000 2.513 296 L HA 0.241 4.581 4.340 0.000 0.000 0.261 296 L C -0.588 176.283 176.870 0.002 0.000 0.945 296 L CA -0.687 54.153 54.840 0.000 0.000 0.848 296 L CB 1.849 43.906 42.059 -0.003 0.000 1.334 296 L HN 0.369 nan 8.230 nan 0.000 0.407 297 D N 3.941 124.345 120.400 0.006 0.000 2.949 297 D HA -0.100 4.540 4.640 0.000 0.000 0.208 297 D C -1.448 174.854 176.300 0.003 0.000 1.104 297 D CA 0.076 54.079 54.000 0.005 0.000 0.801 297 D CB 1.043 41.848 40.800 0.009 0.000 1.182 297 D HN 0.393 nan 8.370 nan 0.000 0.517 298 P HA -0.126 nan 4.420 nan 0.000 0.231 298 P C 0.368 177.670 177.300 0.002 0.000 1.158 298 P CA 1.006 64.107 63.100 0.001 0.000 0.763 298 P CB 0.064 31.764 31.700 0.001 0.000 0.805 299 R N -1.471 119.033 120.500 0.006 0.000 2.816 299 R HA 0.579 4.919 4.340 0.000 0.000 0.382 299 R C 1.009 177.318 176.300 0.014 0.000 1.140 299 R CA 0.031 56.137 56.100 0.010 0.000 1.050 299 R CB -0.617 29.691 30.300 0.012 0.000 1.396 299 R HN -0.011 nan 8.270 nan 0.000 0.583 300 G N 1.247 110.054 108.800 0.011 0.000 2.268 300 G HA2 -0.356 3.604 3.960 0.000 0.000 0.240 300 G HA3 -0.356 3.604 3.960 0.000 0.000 0.240 300 G C 0.113 175.024 174.900 0.018 0.000 1.010 300 G CA 0.231 45.339 45.100 0.014 0.000 0.618 300 G HN 0.560 nan 8.290 nan 0.000 0.516 301 R N 0.397 120.910 120.500 0.022 0.000 2.596 301 R HA 0.778 5.118 4.340 0.000 0.000 0.267 301 R C 0.233 176.548 176.300 0.026 0.000 1.026 301 R CA -0.980 55.137 56.100 0.028 0.000 1.087 301 R CB 1.246 31.565 30.300 0.031 0.000 1.132 301 R HN 0.219 nan 8.270 nan 0.000 0.531 302 I N 2.263 122.854 120.570 0.035 0.000 2.529 302 I HA 0.186 4.356 4.170 0.000 0.000 0.284 302 I C -1.831 174.312 176.117 0.043 0.000 1.082 302 I CA -2.148 59.174 61.300 0.036 0.000 1.406 302 I CB 1.113 39.141 38.000 0.046 0.000 1.405 302 I HN 0.423 nan 8.210 nan 0.000 0.548 303 P HA 0.337 nan 4.420 nan 0.000 0.294 303 P C -1.012 176.308 177.300 0.032 0.000 1.294 303 P CA -0.266 62.851 63.100 0.028 0.000 0.827 303 P CB 1.708 33.414 31.700 0.010 0.000 0.992 304 V N 0.045 119.982 119.914 0.038 0.000 3.160 304 V HA 0.623 4.743 4.120 0.000 0.000 0.310 304 V C -0.394 175.677 176.094 -0.038 0.000 1.181 304 V CA -1.064 61.253 62.300 0.029 0.000 1.047 304 V CB 2.021 33.927 31.823 0.138 0.000 1.068 304 V HN 0.466 nan 8.190 nan 0.000 0.441 305 N N 0.803 119.454 118.700 -0.081 0.000 2.493 305 N HA 0.259 5.000 4.740 0.000 0.000 0.275 305 N C 1.007 176.356 175.510 -0.269 0.000 1.186 305 N CA 0.432 53.403 53.050 -0.131 0.000 0.978 305 N CB 1.937 40.360 38.487 -0.108 0.000 1.184 305 N HN 1.079 nan 8.380 nan 0.000 0.487 306 T N -0.723 113.652 114.554 -0.298 0.000 3.400 306 T HA 0.129 4.479 4.350 0.000 0.000 0.254 306 T C 0.915 175.315 174.700 -0.500 0.000 1.153 306 T CA 0.521 62.312 62.100 -0.515 0.000 1.012 306 T CB -0.297 68.397 68.868 -0.292 0.000 0.994 306 T HN 0.443 nan 8.240 nan 0.000 0.555 307 R N -0.132 120.184 120.500 -0.306 0.000 2.472 307 R HA 0.323 4.663 4.340 0.000 0.000 0.279 307 R C -0.522 175.853 176.300 0.124 0.000 0.953 307 R CA -0.438 55.622 56.100 -0.067 0.000 1.088 307 R CB -0.052 30.271 30.300 0.038 0.000 1.197 307 R HN 0.367 nan 8.270 nan 0.000 0.536 308 F N 0.961 120.973 119.950 0.102 0.000 3.056 308 F HA -0.255 4.272 4.527 0.000 0.000 0.301 308 F C -0.062 175.778 175.800 0.066 0.000 0.907 308 F CA 0.612 58.683 58.000 0.119 0.000 1.113 308 F CB -2.132 36.964 39.000 0.159 0.000 1.123 308 F HN 0.151 nan 8.300 nan 0.000 0.661 309 Q N -0.393 119.398 119.800 -0.016 0.000 2.257 309 Q HA 0.685 5.025 4.340 0.000 0.000 0.262 309 Q C 0.648 176.581 176.000 -0.112 0.000 0.997 309 Q CA -0.338 55.333 55.803 -0.221 0.000 0.873 309 Q CB 2.351 30.907 28.738 -0.304 0.000 1.312 309 Q HN 0.355 nan 8.270 nan 0.000 0.450 310 T N -2.047 112.429 114.554 -0.130 0.000 2.910 310 T HA 0.296 4.646 4.350 0.000 0.000 0.279 310 T C 0.716 175.371 174.700 -0.075 0.000 0.989 310 T CA -0.886 61.175 62.100 -0.065 0.000 0.968 310 T CB 0.862 69.706 68.868 -0.040 0.000 1.135 310 T HN 0.453 nan 8.240 nan 0.000 0.562 311 K N -0.384 119.988 120.400 -0.047 0.000 2.519 311 K HA 0.173 4.493 4.320 0.000 0.000 0.196 311 K C 0.478 177.051 176.600 -0.046 0.000 1.041 311 K CA 0.579 56.841 56.287 -0.042 0.000 0.954 311 K CB -0.291 32.192 32.500 -0.027 0.000 0.774 311 K HN 0.518 nan 8.250 nan 0.000 0.480 312 I N 0.660 121.198 120.570 -0.054 0.000 2.503 312 I HA 0.181 4.351 4.170 0.000 0.000 0.277 312 I C -2.344 173.721 176.117 -0.087 0.000 1.078 312 I CA -2.882 58.387 61.300 -0.051 0.000 1.184 312 I CB 1.322 39.306 38.000 -0.028 0.000 1.353 312 I HN -0.118 nan 8.210 nan 0.000 0.490 313 P HA -0.149 nan 4.420 nan 0.000 0.229 313 P C 0.544 177.715 177.300 -0.214 0.000 1.147 313 P CA 1.025 64.021 63.100 -0.174 0.000 0.766 313 P CB -0.193 31.444 31.700 -0.106 0.000 0.775 314 N N -1.174 117.469 118.700 -0.095 0.000 2.214 314 N HA 0.011 4.751 4.740 0.000 0.000 0.214 314 N C -0.205 175.364 175.510 0.098 0.000 1.132 314 N CA 0.118 53.185 53.050 0.029 0.000 0.856 314 N CB 0.217 38.754 38.487 0.084 0.000 1.020 314 N HN 0.030 nan 8.380 nan 0.000 0.509 315 I N 2.215 122.759 120.570 -0.043 0.000 2.390 315 I HA 0.316 4.486 4.170 0.000 0.000 0.283 315 I C -0.818 175.308 176.117 0.015 0.000 1.016 315 I CA -0.725 60.611 61.300 0.059 0.000 1.151 315 I CB 0.202 38.214 38.000 0.019 0.000 1.293 315 I HN -0.122 nan 8.210 nan 0.000 0.458 316 Y N 3.964 124.283 120.300 0.033 0.000 2.488 316 Y HA 0.771 5.321 4.550 0.000 0.000 0.325 316 Y C 0.510 176.441 175.900 0.051 0.000 1.204 316 Y CA -1.248 56.886 58.100 0.057 0.000 1.229 316 Y CB 1.635 40.129 38.460 0.057 0.000 1.274 316 Y HN 0.594 nan 8.280 nan 0.000 0.493 317 A N 2.116 125.074 122.820 0.231 0.000 2.427 317 A HA 0.825 5.145 4.320 0.000 0.000 0.298 317 A C -1.499 176.141 177.584 0.094 0.000 1.036 317 A CA -0.568 51.551 52.037 0.137 0.000 0.701 317 A CB 0.670 19.733 19.000 0.105 0.000 1.250 317 A HN 0.702 nan 8.150 nan 0.000 0.412 318 I N -0.880 119.691 120.570 0.001 0.000 2.894 318 I HA 1.012 5.182 4.170 0.000 0.000 0.302 318 I C 0.343 176.421 176.117 -0.065 0.000 1.188 318 I CA 0.198 61.431 61.300 -0.111 0.000 1.014 318 I CB 1.877 39.707 38.000 -0.283 0.000 1.242 318 I HN 1.911 nan 8.210 nan 0.000 0.430 319 G N 2.973 111.729 108.800 -0.074 0.000 2.250 319 G HA2 -0.085 3.875 3.960 0.000 0.000 0.196 319 G HA3 -0.085 3.875 3.960 0.000 0.000 0.196 319 G C -0.355 174.540 174.900 -0.008 0.000 1.308 319 G CA 0.222 45.299 45.100 -0.038 0.000 1.207 319 G HN 0.614 nan 8.290 nan 0.000 0.505 320 D N -0.186 120.220 120.400 0.011 0.000 2.224 320 D HA 0.045 4.685 4.640 0.000 0.000 0.205 320 D C 2.320 178.645 176.300 0.043 0.000 0.965 320 D CA 1.152 55.167 54.000 0.025 0.000 0.852 320 D CB 0.037 40.858 40.800 0.034 0.000 0.947 320 D HN 0.325 nan 8.370 nan 0.000 0.494 321 V N 0.586 120.532 119.914 0.053 0.000 3.488 321 V HA -0.031 4.089 4.120 0.000 0.000 0.273 321 V C 0.145 176.272 176.094 0.054 0.000 1.209 321 V CA 0.488 62.827 62.300 0.065 0.000 1.179 321 V CB -0.288 31.583 31.823 0.081 0.000 0.842 321 V HN -0.147 nan 8.190 nan 0.000 0.515 322 V N -0.453 119.490 119.914 0.048 0.000 2.971 322 V HA 0.709 4.829 4.120 0.000 0.000 0.309 322 V C 0.251 176.374 176.094 0.048 0.000 1.130 322 V CA -0.737 61.601 62.300 0.063 0.000 0.964 322 V CB 1.758 33.636 31.823 0.091 0.000 1.029 322 V HN 0.250 nan 8.190 nan 0.000 0.427 323 A N 2.032 124.876 122.820 0.041 0.000 2.547 323 A HA 0.644 4.964 4.320 0.000 0.000 0.233 323 A C 0.906 178.446 177.584 -0.074 0.000 1.067 323 A CA 1.109 53.140 52.037 -0.010 0.000 0.763 323 A CB -0.395 18.592 19.000 -0.022 0.000 1.007 323 A HN 2.575 nan 8.150 nan 0.000 0.506 324 G N 0.729 109.454 108.800 -0.124 0.000 2.566 324 G HA2 0.123 4.083 3.960 0.000 0.000 0.599 324 G HA3 0.123 4.083 3.960 0.000 0.000 0.599 324 G C -2.874 171.979 174.900 -0.080 0.000 1.292 324 G CA -0.485 44.492 45.100 -0.206 0.000 0.922 324 G HN 0.901 nan 8.290 nan 0.000 0.514 325 P HA 0.278 nan 4.420 nan 0.000 0.266 325 P C 0.474 177.764 177.300 -0.017 0.000 1.186 325 P CA 0.343 63.440 63.100 -0.005 0.000 0.767 325 P CB 0.236 31.939 31.700 0.006 0.000 0.820 326 M N 2.615 122.210 119.600 -0.008 0.000 3.462 326 M HA 0.215 4.695 4.480 0.000 0.000 0.219 326 M C -0.458 175.822 176.300 -0.033 0.000 1.207 326 M CA 0.118 55.412 55.300 -0.010 0.000 1.284 326 M CB -0.442 32.168 32.600 0.017 0.000 1.160 326 M HN 0.203 nan 8.290 nan 0.000 0.598 327 L N -0.925 120.240 121.223 -0.097 0.000 2.322 327 L HA 0.629 4.969 4.340 0.000 0.000 0.269 327 L C 1.256 178.022 176.870 -0.174 0.000 1.012 327 L CA -0.513 54.230 54.840 -0.162 0.000 0.815 327 L CB 1.660 43.499 42.059 -0.367 0.000 1.295 327 L HN 0.369 nan 8.230 nan 0.000 0.438 328 A N 0.131 122.898 122.820 -0.087 0.000 1.897 328 A HA -0.144 4.176 4.320 0.000 0.000 0.215 328 A C 1.937 179.511 177.584 -0.018 0.000 1.181 328 A CA 1.253 53.283 52.037 -0.012 0.000 0.620 328 A CB -0.740 18.297 19.000 0.061 0.000 0.821 328 A HN 0.938 nan 8.150 nan 0.000 0.443 329 H N -0.936 118.131 119.070 -0.005 0.000 2.524 329 H HA 0.048 4.604 4.556 0.000 0.000 0.282 329 H C 1.654 176.967 175.328 -0.025 0.000 1.016 329 H CA 1.282 57.320 56.048 -0.018 0.000 1.270 329 H CB -0.165 29.585 29.762 -0.020 0.000 1.394 329 H HN 0.503 nan 8.280 nan 0.000 0.568 330 K N 1.842 122.080 120.400 -0.270 0.000 2.044 330 K HA 0.035 4.355 4.320 0.000 0.000 0.204 330 K C 2.281 178.821 176.600 -0.100 0.000 1.049 330 K CA 1.001 57.202 56.287 -0.145 0.000 0.945 330 K CB -0.258 32.162 32.500 -0.134 0.000 0.724 330 K HN 0.229 nan 8.250 nan 0.000 0.440 331 A N 1.555 124.316 122.820 -0.099 0.000 2.024 331 A HA -0.167 4.153 4.320 0.000 0.000 0.220 331 A C 1.881 179.400 177.584 -0.109 0.000 1.164 331 A CA 1.622 53.601 52.037 -0.095 0.000 0.643 331 A CB -0.377 18.589 19.000 -0.058 0.000 0.806 331 A HN 0.546 nan 8.150 nan 0.000 0.451 332 E N -0.600 119.548 120.200 -0.086 0.000 2.107 332 E HA -0.148 4.202 4.350 0.000 0.000 0.191 332 E C 1.415 177.946 176.600 -0.116 0.000 0.982 332 E CA 1.222 57.562 56.400 -0.100 0.000 0.809 332 E CB -0.095 29.571 29.700 -0.057 0.000 0.756 332 E HN 0.660 nan 8.360 nan 0.000 0.459 333 D N 0.364 120.705 120.400 -0.099 0.000 2.120 333 D HA -0.098 4.542 4.640 0.000 0.000 0.202 333 D C 1.654 177.865 176.300 -0.149 0.000 0.972 333 D CA 0.768 54.709 54.000 -0.099 0.000 0.837 333 D CB 0.104 40.858 40.800 -0.075 0.000 0.989 333 D HN 0.114 nan 8.370 nan 0.000 0.469 334 E N 0.186 120.252 120.200 -0.223 0.000 2.065 334 E HA -0.197 4.153 4.350 0.000 0.000 0.201 334 E C 2.140 178.536 176.600 -0.341 0.000 1.016 334 E CA 1.295 57.431 56.400 -0.440 0.000 0.818 334 E CB -0.371 28.975 29.700 -0.590 0.000 0.749 334 E HN 0.333 nan 8.360 nan 0.000 0.453 335 G N 0.196 108.847 108.800 -0.250 0.000 2.598 335 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 335 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 335 G C 1.440 176.235 174.900 -0.175 0.000 1.131 335 G CA 0.040 45.018 45.100 -0.204 0.000 0.785 335 G HN 0.078 nan 8.290 nan 0.000 0.539 336 I N 1.142 121.623 120.570 -0.148 0.000 2.270 336 I HA 0.068 4.238 4.170 0.000 0.000 0.239 336 I C 2.549 178.611 176.117 -0.092 0.000 1.080 336 I CA 0.630 61.861 61.300 -0.116 0.000 1.383 336 I CB 0.004 37.950 38.000 -0.091 0.000 1.097 336 I HN 0.278 nan 8.210 nan 0.000 0.420 337 I N -1.748 118.785 120.570 -0.061 0.000 3.111 337 I HA -0.171 3.999 4.170 0.000 0.000 0.272 337 I C 2.359 178.481 176.117 0.007 0.000 1.268 337 I CA 0.817 62.113 61.300 -0.007 0.000 1.467 337 I CB -0.797 37.230 38.000 0.044 0.000 1.087 337 I HN 0.314 nan 8.210 nan 0.000 0.467 338 C N 1.551 120.823 119.300 -0.045 0.000 2.476 338 C HA -0.067 4.393 4.460 0.000 0.000 0.278 338 C C 2.912 177.778 174.990 -0.208 0.000 1.274 338 C CA 1.298 60.286 59.018 -0.049 0.000 1.713 338 C CB -0.849 26.832 27.740 -0.098 0.000 2.039 338 C HN 0.622 nan 8.230 nan 0.000 0.484 339 V N -0.895 118.862 119.914 -0.262 0.000 2.913 339 V HA -0.099 4.021 4.120 0.000 0.000 0.260 339 V C 2.020 177.962 176.094 -0.253 0.000 1.098 339 V CA 2.227 64.296 62.300 -0.384 0.000 1.121 339 V CB -1.002 30.577 31.823 -0.406 0.000 0.714 339 V HN 0.621 nan 8.190 nan 0.000 0.487 340 E N 1.448 121.579 120.200 -0.115 0.000 2.051 340 E HA 0.037 4.387 4.350 0.000 0.000 0.189 340 E C 2.283 178.891 176.600 0.014 0.000 0.979 340 E CA 1.011 57.399 56.400 -0.021 0.000 0.803 340 E CB -0.512 29.187 29.700 -0.001 0.000 0.761 340 E HN 0.681 nan 8.360 nan 0.000 0.451 341 G N 0.371 109.180 108.800 0.015 0.000 2.559 341 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 341 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 341 G C 1.285 176.228 174.900 0.073 0.000 1.126 341 G CA 0.343 45.483 45.100 0.066 0.000 0.778 341 G HN 0.149 nan 8.290 nan 0.000 0.543 342 M N 0.371 119.964 119.600 -0.012 0.000 2.561 342 M HA 0.324 4.804 4.480 0.000 0.000 0.238 342 M C 1.935 178.348 176.300 0.189 0.000 1.131 342 M CA 0.477 55.792 55.300 0.026 0.000 1.046 342 M CB 0.719 33.187 32.600 -0.219 0.000 1.532 342 M HN 0.213 nan 8.290 nan 0.000 0.497 343 A N -0.488 122.445 122.820 0.189 0.000 2.545 343 A HA 0.643 4.963 4.320 0.000 0.000 0.263 343 A C 1.377 179.032 177.584 0.119 0.000 1.202 343 A CA 0.373 52.550 52.037 0.233 0.000 0.959 343 A CB 0.109 19.308 19.000 0.331 0.000 1.124 343 A HN 0.533 nan 8.150 nan 0.000 0.543 344 G N -1.376 107.482 108.800 0.097 0.000 2.231 344 G HA2 0.018 3.978 3.960 0.000 0.000 0.206 344 G HA3 0.018 3.978 3.960 0.000 0.000 0.206 344 G C 0.817 175.751 174.900 0.058 0.000 0.996 344 G CA 0.080 45.222 45.100 0.069 0.000 0.645 344 G HN 1.338 nan 8.290 nan 0.000 0.498 345 G N 0.398 109.233 108.800 0.059 0.000 2.616 345 G HA2 0.719 4.679 3.960 0.000 0.000 0.268 345 G HA3 0.719 4.679 3.960 0.000 0.000 0.268 345 G C 0.716 175.648 174.900 0.053 0.000 1.213 345 G CA 0.639 45.768 45.100 0.049 0.000 0.926 345 G HN 1.441 nan 8.290 nan 0.000 0.523 346 A N -1.483 121.365 122.820 0.048 0.000 2.267 346 A HA 0.556 4.876 4.320 0.000 0.000 0.271 346 A C 0.387 178.013 177.584 0.071 0.000 1.131 346 A CA 0.336 52.406 52.037 0.055 0.000 0.818 346 A CB 0.707 19.736 19.000 0.048 0.000 1.118 346 A HN 1.775 nan 8.150 nan 0.000 0.501 347 V N -1.358 118.604 119.914 0.079 0.000 2.464 347 V HA 0.406 4.526 4.120 0.000 0.000 0.255 347 V C -0.491 175.652 176.094 0.082 0.000 0.946 347 V CA -0.246 62.105 62.300 0.086 0.000 0.988 347 V CB -0.654 31.209 31.823 0.067 0.000 1.210 347 V HN 0.914 nan 8.190 nan 0.000 0.523 348 H N 2.537 121.608 119.070 0.003 0.000 2.467 348 H HA 0.798 5.354 4.556 0.000 0.000 0.326 348 H C -0.701 174.606 175.328 -0.035 0.000 1.094 348 H CA -0.693 55.344 56.048 -0.018 0.000 1.253 348 H CB 1.900 31.651 29.762 -0.018 0.000 1.439 348 H HN 0.678 nan 8.280 nan 0.000 0.479 349 I N 5.195 125.553 120.570 -0.352 0.000 2.603 349 I HA 0.150 4.320 4.170 0.000 0.000 0.276 349 I C -1.273 174.541 176.117 -0.506 0.000 1.133 349 I CA -0.709 60.404 61.300 -0.311 0.000 1.070 349 I CB 0.453 38.298 38.000 -0.257 0.000 1.215 349 I HN 0.656 nan 8.210 nan 0.000 0.487 350 D N 4.687 124.884 120.400 -0.339 0.000 2.458 350 D HA 0.007 4.647 4.640 0.000 0.000 0.243 350 D C 0.242 176.442 176.300 -0.166 0.000 1.146 350 D CA 0.697 54.578 54.000 -0.198 0.000 0.877 350 D CB 0.744 41.561 40.800 0.028 0.000 1.176 350 D HN 0.450 nan 8.370 nan 0.000 0.461 351 Y N 2.481 122.780 120.300 -0.001 0.000 2.343 351 Y HA -0.024 4.526 4.550 0.000 0.000 0.294 351 Y C 2.231 178.160 175.900 0.049 0.000 1.122 351 Y CA 0.592 58.708 58.100 0.027 0.000 1.173 351 Y CB -0.425 38.053 38.460 0.030 0.000 1.077 351 Y HN 0.554 nan 8.280 nan 0.000 0.542 352 N N 0.878 119.702 118.700 0.207 0.000 2.242 352 N HA -0.205 4.535 4.740 0.000 0.000 0.191 352 N C 0.889 176.475 175.510 0.127 0.000 1.005 352 N CA 1.704 54.847 53.050 0.156 0.000 0.877 352 N CB -0.301 38.263 38.487 0.128 0.000 0.983 352 N HN 0.424 nan 8.380 nan 0.000 0.439 353 C N 0.913 120.271 119.300 0.096 0.000 2.404 353 C HA 0.564 5.024 4.460 0.000 0.000 0.325 353 C C 0.768 175.792 174.990 0.057 0.000 1.363 353 C CA -1.261 57.796 59.018 0.065 0.000 1.775 353 C CB -1.698 26.068 27.740 0.043 0.000 2.254 353 C HN 0.145 nan 8.230 nan 0.000 0.568 354 V N -1.191 118.780 119.914 0.095 0.000 2.394 354 V HA 0.734 4.854 4.120 0.000 0.000 0.282 354 V C -2.746 173.409 176.094 0.101 0.000 1.031 354 V CA -2.096 60.277 62.300 0.121 0.000 0.881 354 V CB 0.980 32.889 31.823 0.144 0.000 0.982 354 V HN 0.166 nan 8.190 nan 0.000 0.451 355 P HA 0.451 nan 4.420 nan 0.000 0.277 355 P C -0.538 176.658 177.300 -0.174 0.000 1.240 355 P CA -0.134 62.894 63.100 -0.120 0.000 0.798 355 P CB 1.147 32.720 31.700 -0.213 0.000 0.979 356 S N 0.625 115.962 115.700 -0.605 0.000 2.473 356 S HA 0.551 5.021 4.470 0.000 0.000 0.307 356 S C -0.590 173.473 174.600 -0.896 0.000 1.094 356 S CA -0.535 57.179 58.200 -0.811 0.000 1.070 356 S CB 0.811 63.169 63.200 -1.402 0.000 1.019 356 S HN 0.133 nan 8.310 nan 0.000 0.480 357 V N 4.573 124.169 119.914 -0.530 0.000 2.680 357 V HA 0.592 4.712 4.120 0.000 0.000 0.309 357 V C -0.461 175.414 176.094 -0.365 0.000 1.052 357 V CA -0.792 61.190 62.300 -0.529 0.000 0.908 357 V CB 1.926 33.377 31.823 -0.620 0.000 1.001 357 V HN 0.853 nan 8.190 nan 0.000 0.431 358 I N 3.722 124.075 120.570 -0.362 0.000 2.448 358 I HA 0.410 4.580 4.170 0.000 0.000 0.281 358 I C -0.825 175.197 176.117 -0.157 0.000 1.027 358 I CA -0.488 60.727 61.300 -0.141 0.000 1.111 358 I CB 1.301 39.271 38.000 -0.050 0.000 1.236 358 I HN 0.703 nan 8.210 nan 0.000 0.452 359 Y N 5.891 126.172 120.300 -0.031 0.000 2.685 359 Y HA 0.036 4.586 4.550 0.000 0.000 0.365 359 Y C 1.848 177.759 175.900 0.019 0.000 1.113 359 Y CA 0.009 58.092 58.100 -0.029 0.000 1.470 359 Y CB -0.798 37.641 38.460 -0.035 0.000 1.361 359 Y HN 0.621 nan 8.280 nan 0.000 0.490 360 T N -2.850 111.809 114.554 0.175 0.000 3.051 360 T HA 0.057 4.407 4.350 0.000 0.000 0.356 360 T C -0.231 174.574 174.700 0.176 0.000 1.204 360 T CA -0.310 61.922 62.100 0.220 0.000 0.990 360 T CB 0.652 69.725 68.868 0.342 0.000 1.628 360 T HN 0.328 nan 8.240 nan 0.000 0.550 361 H N 1.208 120.337 119.070 0.098 0.000 3.096 361 H HA 0.357 4.913 4.556 0.000 0.000 0.335 361 H C -2.930 172.460 175.328 0.104 0.000 0.990 361 H CA -1.847 54.216 56.048 0.026 0.000 1.393 361 H CB 1.664 31.363 29.762 -0.104 0.000 1.742 361 H HN 0.434 nan 8.280 nan 0.000 0.501 362 P HA -0.010 nan 4.420 nan 0.000 0.267 362 P C -0.113 177.115 177.300 -0.120 0.000 1.201 362 P CA 0.205 63.129 63.100 -0.293 0.000 0.775 362 P CB 1.544 33.194 31.700 -0.083 0.000 0.854 363 E N -0.041 120.013 120.200 -0.244 0.000 2.371 363 E HA 0.351 4.701 4.350 0.000 0.000 0.257 363 E C -0.526 175.949 176.600 -0.208 0.000 1.134 363 E CA -0.671 55.609 56.400 -0.201 0.000 0.919 363 E CB 0.578 30.126 29.700 -0.254 0.000 1.025 363 E HN 0.142 nan 8.360 nan 0.000 0.438 364 V N 0.770 120.523 119.914 -0.268 0.000 2.638 364 V HA 0.696 4.816 4.120 0.000 0.000 0.306 364 V C -0.738 175.248 176.094 -0.180 0.000 1.052 364 V CA -0.711 61.461 62.300 -0.213 0.000 0.885 364 V CB 1.586 33.188 31.823 -0.368 0.000 0.999 364 V HN 0.767 nan 8.190 nan 0.000 0.424 365 A N 4.123 126.908 122.820 -0.059 0.000 2.515 365 A HA 1.036 5.356 4.320 0.000 0.000 0.298 365 A C -1.763 175.884 177.584 0.105 0.000 1.059 365 A CA -0.618 51.332 52.037 -0.144 0.000 0.698 365 A CB 1.844 20.712 19.000 -0.219 0.000 1.289 365 A HN 1.684 nan 8.150 nan 0.000 0.404 366 W N 0.428 121.670 121.300 -0.097 0.000 3.707 366 W HA 0.623 5.283 4.660 0.000 0.000 0.294 366 W C -2.188 174.259 176.519 -0.119 0.000 1.248 366 W CA -0.994 56.278 57.345 -0.121 0.000 1.217 366 W CB 0.611 30.082 29.460 0.019 0.000 1.306 366 W HN 0.960 nan 8.180 nan 0.000 0.532 367 V N 5.148 125.080 119.914 0.029 0.000 2.962 367 V HA 0.956 5.076 4.120 0.000 0.000 0.313 367 V C 0.379 176.512 176.094 0.066 0.000 1.099 367 V CA 0.395 62.715 62.300 0.033 0.000 0.971 367 V CB 1.396 33.200 31.823 -0.032 0.000 1.028 367 V HN 2.189 nan 8.190 nan 0.000 0.430 368 G N 4.908 113.782 108.800 0.123 0.000 2.516 368 G HA2 -0.067 3.893 3.960 0.000 0.000 0.220 368 G HA3 -0.067 3.893 3.960 0.000 0.000 0.220 368 G C -0.661 174.333 174.900 0.158 0.000 1.165 368 G CA -0.004 45.160 45.100 0.107 0.000 1.013 368 G HN 0.894 nan 8.290 nan 0.000 0.590 369 K N 0.934 121.421 120.400 0.143 0.000 2.471 369 K HA 0.585 4.905 4.320 0.000 0.000 0.252 369 K C 0.202 176.924 176.600 0.202 0.000 0.938 369 K CA 0.012 56.394 56.287 0.158 0.000 0.796 369 K CB 1.935 34.509 32.500 0.124 0.000 1.161 369 K HN 1.020 nan 8.250 nan 0.000 0.425 370 S N 0.773 116.546 115.700 0.123 0.000 2.585 370 S HA 0.032 4.502 4.470 0.000 0.000 0.273 370 S C 1.222 175.787 174.600 -0.058 0.000 1.339 370 S CA -0.275 57.907 58.200 -0.030 0.000 1.028 370 S CB 1.555 64.650 63.200 -0.176 0.000 0.906 370 S HN 0.763 nan 8.310 nan 0.000 0.528 371 E N 1.542 121.642 120.200 -0.167 0.000 2.070 371 E HA -0.259 4.091 4.350 0.000 0.000 0.197 371 E C 1.407 178.027 176.600 0.033 0.000 1.004 371 E CA 2.028 58.370 56.400 -0.098 0.000 0.805 371 E CB -0.240 29.348 29.700 -0.186 0.000 0.744 371 E HN 0.861 nan 8.360 nan 0.000 0.451 372 E N 0.996 121.173 120.200 -0.037 0.000 2.019 372 E HA -0.264 4.086 4.350 0.000 0.000 0.208 372 E C 1.997 178.608 176.600 0.019 0.000 1.030 372 E CA 1.532 57.921 56.400 -0.018 0.000 0.856 372 E CB -0.537 29.119 29.700 -0.073 0.000 0.781 372 E HN 0.271 nan 8.360 nan 0.000 0.471 373 Q N -0.351 119.450 119.800 0.001 0.000 2.543 373 Q HA -0.254 4.086 4.340 0.000 0.000 0.219 373 Q C 1.709 177.749 176.000 0.067 0.000 0.992 373 Q CA 1.014 56.836 55.803 0.031 0.000 0.928 373 Q CB -0.226 28.533 28.738 0.035 0.000 0.929 373 Q HN 0.356 nan 8.270 nan 0.000 0.492 374 L N -1.196 120.091 121.223 0.106 0.000 2.453 374 L HA -0.033 4.307 4.340 0.000 0.000 0.190 374 L C 1.906 178.835 176.870 0.097 0.000 1.093 374 L CA 0.225 55.157 54.840 0.154 0.000 0.834 374 L CB -0.220 42.030 42.059 0.319 0.000 1.090 374 L HN -0.028 nan 8.230 nan 0.000 0.489 375 K N 0.459 120.918 120.400 0.098 0.000 2.218 375 K HA -0.244 4.076 4.320 0.000 0.000 0.205 375 K C 1.692 178.292 176.600 0.002 0.000 1.046 375 K CA 1.409 57.697 56.287 0.002 0.000 0.933 375 K CB -0.174 32.328 32.500 0.004 0.000 0.728 375 K HN 0.351 nan 8.250 nan 0.000 0.454 376 E N 1.935 122.147 120.200 0.020 0.000 1.998 376 E HA -0.192 4.158 4.350 0.000 0.000 0.195 376 E C 1.531 178.139 176.600 0.014 0.000 0.994 376 E CA 1.132 57.539 56.400 0.012 0.000 0.835 376 E CB 0.036 29.745 29.700 0.014 0.000 0.786 376 E HN 0.253 nan 8.360 nan 0.000 0.467 377 E N -0.530 119.686 120.200 0.027 0.000 2.492 377 E HA -0.094 4.256 4.350 0.000 0.000 0.204 377 E C 0.337 176.947 176.600 0.017 0.000 1.073 377 E CA 0.419 56.835 56.400 0.027 0.000 0.887 377 E CB -0.372 29.353 29.700 0.042 0.000 0.813 377 E HN 0.546 nan 8.360 nan 0.000 0.562 378 G N 1.350 110.153 108.800 0.005 0.000 2.370 378 G HA2 -0.229 3.731 3.960 0.000 0.000 0.295 378 G HA3 -0.229 3.731 3.960 0.000 0.000 0.295 378 G C -0.276 174.609 174.900 -0.024 0.000 1.045 378 G CA -0.142 44.948 45.100 -0.017 0.000 1.199 378 G HN 0.117 nan 8.290 nan 0.000 0.513 379 I N 0.022 120.572 120.570 -0.034 0.000 2.465 379 I HA 0.367 4.537 4.170 0.000 0.000 0.291 379 I C 0.410 176.442 176.117 -0.142 0.000 1.014 379 I CA -1.451 59.829 61.300 -0.033 0.000 1.093 379 I CB 1.867 39.894 38.000 0.045 0.000 1.267 379 I HN 0.388 nan 8.210 nan 0.000 0.431 380 E N 5.996 126.118 120.200 -0.130 0.000 2.223 380 E HA 0.308 4.658 4.350 0.000 0.000 0.282 380 E C -1.370 175.154 176.600 -0.127 0.000 1.046 380 E CA -0.178 56.096 56.400 -0.211 0.000 0.857 380 E CB 0.647 30.277 29.700 -0.117 0.000 1.055 380 E HN 0.409 nan 8.360 nan 0.000 0.409 381 Y N 1.744 122.050 120.300 0.011 0.000 2.698 381 Y HA 0.584 5.134 4.550 0.000 0.000 0.332 381 Y C -0.999 174.909 175.900 0.014 0.000 1.119 381 Y CA -1.795 56.315 58.100 0.016 0.000 1.109 381 Y CB 0.474 38.948 38.460 0.023 0.000 1.308 381 Y HN 0.296 nan 8.280 nan 0.000 0.499 382 K N 0.423 121.068 120.400 0.407 0.000 2.395 382 K HA 0.830 5.150 4.320 0.000 0.000 0.247 382 K C -2.049 174.620 176.600 0.116 0.000 0.973 382 K CA -1.134 55.309 56.287 0.259 0.000 0.828 382 K CB 2.766 35.344 32.500 0.130 0.000 1.272 382 K HN 0.636 nan 8.250 nan 0.000 0.439 383 V N 0.756 120.708 119.914 0.064 0.000 2.588 383 V HA 0.695 4.815 4.120 0.000 0.000 0.304 383 V C -0.774 175.332 176.094 0.020 0.000 1.042 383 V CA -0.269 62.018 62.300 -0.022 0.000 0.877 383 V CB 1.802 33.575 31.823 -0.083 0.000 0.996 383 V HN 0.962 nan 8.190 nan 0.000 0.425 384 G N 5.108 113.917 108.800 0.014 0.000 2.470 384 G HA2 0.640 4.600 3.960 0.000 0.000 0.320 384 G HA3 0.640 4.600 3.960 0.000 0.000 0.320 384 G C -1.103 173.826 174.900 0.048 0.000 1.245 384 G CA -0.616 44.509 45.100 0.041 0.000 0.935 384 G HN 0.670 nan 8.290 nan 0.000 0.476 385 K N 1.094 121.547 120.400 0.089 0.000 2.324 385 K HA 0.536 4.856 4.320 0.000 0.000 0.253 385 K C -1.941 174.749 176.600 0.150 0.000 0.932 385 K CA -0.717 55.615 56.287 0.076 0.000 0.799 385 K CB 2.790 35.321 32.500 0.051 0.000 1.154 385 K HN 0.395 nan 8.250 nan 0.000 0.425 386 F N 4.363 124.227 119.950 -0.143 0.000 2.573 386 F HA 0.338 4.865 4.527 0.000 0.000 0.316 386 F C -2.565 172.985 175.800 -0.417 0.000 1.148 386 F CA -2.141 55.714 58.000 -0.243 0.000 0.940 386 F CB 1.937 40.823 39.000 -0.190 0.000 1.214 386 F HN 0.293 nan 8.300 nan 0.000 0.448 387 P HA 0.185 nan 4.420 nan 0.000 0.293 387 P C 0.455 177.370 177.300 -0.642 0.000 1.313 387 P CA -0.101 62.519 63.100 -0.800 0.000 0.787 387 P CB 0.640 31.775 31.700 -0.942 0.000 0.910 388 F N 2.789 122.613 119.950 -0.211 0.000 2.236 388 F HA -0.234 4.293 4.527 0.000 0.000 0.302 388 F C 2.550 178.274 175.800 -0.127 0.000 1.073 388 F CA 1.899 59.847 58.000 -0.085 0.000 1.336 388 F CB -1.428 37.553 39.000 -0.031 0.000 1.040 388 F HN 0.368 nan 8.300 nan 0.000 0.507 389 A N -0.022 122.775 122.820 -0.038 0.000 1.958 389 A HA -0.107 4.213 4.320 0.000 0.000 0.221 389 A C 2.060 179.596 177.584 -0.080 0.000 1.178 389 A CA 1.759 53.757 52.037 -0.065 0.000 0.642 389 A CB -1.139 17.788 19.000 -0.123 0.000 0.816 389 A HN 0.254 nan 8.150 nan 0.000 0.453 390 A N -0.393 122.283 122.820 -0.240 0.000 2.988 390 A HA 0.328 4.648 4.320 0.000 0.000 0.288 390 A C 0.295 177.929 177.584 0.082 0.000 1.385 390 A CA -0.406 51.550 52.037 -0.135 0.000 1.001 390 A CB -0.555 18.298 19.000 -0.245 0.000 1.071 390 A HN 0.461 nan 8.150 nan 0.000 0.608 391 N N -0.125 118.672 118.700 0.162 0.000 2.372 391 N HA 0.195 4.935 4.740 0.000 0.000 0.291 391 N C 0.719 176.340 175.510 0.185 0.000 1.024 391 N CA 0.075 53.300 53.050 0.292 0.000 0.873 391 N CB 1.690 40.416 38.487 0.397 0.000 1.206 391 N HN 0.148 nan 8.380 nan 0.000 0.486 392 S N 3.500 119.298 115.700 0.163 0.000 2.353 392 S HA -0.178 4.292 4.470 0.000 0.000 0.222 392 S C 1.762 176.384 174.600 0.037 0.000 1.035 392 S CA 1.025 59.277 58.200 0.086 0.000 1.025 392 S CB -0.140 63.089 63.200 0.048 0.000 0.902 392 S HN 0.682 nan 8.310 nan 0.000 0.440 393 R N 1.571 122.083 120.500 0.020 0.000 2.070 393 R HA -0.045 4.295 4.340 0.000 0.000 0.233 393 R C 2.504 178.829 176.300 0.041 0.000 1.137 393 R CA 1.335 57.441 56.100 0.010 0.000 0.945 393 R CB -0.688 29.615 30.300 0.006 0.000 0.845 393 R HN 0.382 nan 8.270 nan 0.000 0.430 394 A N 1.063 123.931 122.820 0.079 0.000 1.908 394 A HA -0.232 4.088 4.320 0.000 0.000 0.218 394 A C 2.076 179.699 177.584 0.065 0.000 1.181 394 A CA 1.952 54.028 52.037 0.065 0.000 0.627 394 A CB -0.494 18.579 19.000 0.122 0.000 0.818 394 A HN 0.288 nan 8.150 nan 0.000 0.445 395 K N -0.348 120.098 120.400 0.078 0.000 2.147 395 K HA -0.069 4.251 4.320 0.000 0.000 0.205 395 K C 1.905 178.532 176.600 0.045 0.000 1.049 395 K CA 2.120 58.443 56.287 0.061 0.000 0.936 395 K CB -0.642 31.898 32.500 0.066 0.000 0.722 395 K HN 0.527 nan 8.250 nan 0.000 0.446 396 T N 0.569 115.145 114.554 0.036 0.000 2.684 396 T HA -0.047 4.303 4.350 0.000 0.000 0.253 396 T C 1.319 176.033 174.700 0.024 0.000 1.057 396 T CA 1.150 63.264 62.100 0.024 0.000 1.162 396 T CB -0.557 68.318 68.868 0.012 0.000 0.868 396 T HN 0.172 nan 8.240 nan 0.000 0.409 397 N N 1.726 120.441 118.700 0.025 0.000 2.476 397 N HA -0.133 4.607 4.740 0.000 0.000 0.196 397 N C 1.113 176.651 175.510 0.047 0.000 1.024 397 N CA 0.919 53.990 53.050 0.034 0.000 0.909 397 N CB -0.661 37.849 38.487 0.038 0.000 0.947 397 N HN 0.619 nan 8.380 nan 0.000 0.450 398 A N -0.443 122.404 122.820 0.044 0.000 2.826 398 A HA -0.236 4.084 4.320 0.000 0.000 0.274 398 A C 0.034 177.661 177.584 0.072 0.000 1.443 398 A CA 1.138 53.206 52.037 0.052 0.000 0.833 398 A CB -1.981 17.046 19.000 0.045 0.000 1.023 398 A HN 0.368 nan 8.150 nan 0.000 0.600 399 D N -0.187 120.254 120.400 0.069 0.000 2.460 399 D HA 0.509 5.149 4.640 0.000 0.000 0.268 399 D C 1.291 177.610 176.300 0.031 0.000 1.153 399 D CA 0.567 54.614 54.000 0.078 0.000 0.929 399 D CB 0.325 41.183 40.800 0.097 0.000 1.015 399 D HN 0.412 nan 8.370 nan 0.000 0.502 400 T N -1.384 113.201 114.554 0.052 0.000 3.086 400 T HA 0.128 4.478 4.350 0.000 0.000 0.250 400 T C 0.630 175.375 174.700 0.076 0.000 1.074 400 T CA -0.439 61.697 62.100 0.061 0.000 0.988 400 T CB 0.227 69.129 68.868 0.057 0.000 0.988 400 T HN 0.102 nan 8.240 nan 0.000 0.530 401 D N 2.084 122.516 120.400 0.053 0.000 2.414 401 D HA 0.453 5.093 4.640 0.000 0.000 0.242 401 D C 1.190 177.567 176.300 0.129 0.000 1.129 401 D CA 1.573 55.614 54.000 0.070 0.000 0.885 401 D CB 0.908 41.745 40.800 0.062 0.000 1.198 401 D HN 0.505 nan 8.370 nan 0.000 0.437 402 G N 0.720 109.599 108.800 0.133 0.000 2.584 402 G HA2 0.099 4.059 3.960 0.000 0.000 0.229 402 G HA3 0.099 4.059 3.960 0.000 0.000 0.229 402 G C -0.615 174.406 174.900 0.202 0.000 1.320 402 G CA 0.198 45.411 45.100 0.189 0.000 0.891 402 G HN 0.766 nan 8.290 nan 0.000 0.573 403 M N -3.547 116.155 119.600 0.169 0.000 2.822 403 M HA 0.678 5.158 4.480 0.000 0.000 0.275 403 M C -0.884 175.297 176.300 -0.199 0.000 1.084 403 M CA -0.930 54.243 55.300 -0.211 0.000 0.814 403 M CB 1.057 33.544 32.600 -0.189 0.000 1.693 403 M HN 1.210 nan 8.290 nan 0.000 0.531 404 V N 1.391 121.127 119.914 -0.297 0.000 2.547 404 V HA 0.791 4.911 4.120 0.000 0.000 0.299 404 V C -0.616 175.476 176.094 -0.003 0.000 1.040 404 V CA -0.428 61.812 62.300 -0.100 0.000 0.913 404 V CB 1.918 33.676 31.823 -0.108 0.000 0.992 404 V HN 0.837 nan 8.190 nan 0.000 0.449 405 K N 4.193 124.637 120.400 0.073 0.000 2.578 405 K HA 0.608 4.928 4.320 0.000 0.000 0.250 405 K C -1.857 174.808 176.600 0.109 0.000 0.955 405 K CA -0.596 55.734 56.287 0.071 0.000 0.825 405 K CB 1.837 34.368 32.500 0.053 0.000 1.151 405 K HN 0.597 nan 8.250 nan 0.000 0.432 406 I N 5.075 125.675 120.570 0.050 0.000 2.404 406 I HA 0.329 4.499 4.170 0.000 0.000 0.293 406 I C -1.316 174.804 176.117 0.005 0.000 0.992 406 I CA -0.765 60.555 61.300 0.034 0.000 1.149 406 I CB 1.290 39.272 38.000 -0.031 0.000 1.315 406 I HN 0.628 nan 8.210 nan 0.000 0.446 407 L N 8.053 129.283 121.223 0.013 0.000 2.313 407 L HA 0.561 4.901 4.340 0.000 0.000 0.273 407 L C 0.226 177.098 176.870 0.003 0.000 1.028 407 L CA -0.435 54.378 54.840 -0.044 0.000 0.871 407 L CB 0.794 42.832 42.059 -0.036 0.000 1.242 407 L HN 0.753 nan 8.230 nan 0.000 0.434 408 G N 1.520 110.333 108.800 0.021 0.000 2.417 408 G HA2 0.382 4.342 3.960 0.000 0.000 0.334 408 G HA3 0.382 4.342 3.960 0.000 0.000 0.334 408 G C -0.599 174.368 174.900 0.112 0.000 1.150 408 G CA -0.407 44.728 45.100 0.059 0.000 0.923 408 G HN 0.477 nan 8.290 nan 0.000 0.485 409 Q N 0.631 120.490 119.800 0.099 0.000 2.304 409 Q HA 0.012 4.352 4.340 0.000 0.000 0.301 409 Q C 1.563 177.615 176.000 0.086 0.000 1.063 409 Q CA 0.312 56.175 55.803 0.099 0.000 0.947 409 Q CB 0.803 29.582 28.738 0.069 0.000 1.201 409 Q HN 0.476 nan 8.270 nan 0.000 0.389 410 K N 1.793 122.241 120.400 0.080 0.000 2.147 410 K HA -0.107 4.213 4.320 0.000 0.000 0.205 410 K C 1.235 177.853 176.600 0.031 0.000 1.049 410 K CA 1.767 58.086 56.287 0.054 0.000 0.936 410 K CB 0.111 32.625 32.500 0.023 0.000 0.722 410 K HN 0.810 nan 8.250 nan 0.000 0.446 411 S N -1.446 114.269 115.700 0.025 0.000 2.748 411 S HA -0.065 4.405 4.470 0.000 0.000 0.241 411 S C 1.982 176.593 174.600 0.018 0.000 1.064 411 S CA 0.665 58.874 58.200 0.015 0.000 0.892 411 S CB -0.475 62.730 63.200 0.008 0.000 0.810 411 S HN 0.286 nan 8.310 nan 0.000 0.555 412 T N -0.012 114.557 114.554 0.024 0.000 2.977 412 T HA -0.054 4.296 4.350 0.000 0.000 0.271 412 T C 0.920 175.636 174.700 0.027 0.000 1.105 412 T CA 1.733 63.848 62.100 0.024 0.000 1.116 412 T CB -0.982 67.903 68.868 0.029 0.000 0.878 412 T HN 0.550 nan 8.240 nan 0.000 0.509 413 D N 0.635 121.054 120.400 0.032 0.000 3.006 413 D HA -0.265 4.375 4.640 0.000 0.000 0.208 413 D C 0.354 176.675 176.300 0.034 0.000 1.116 413 D CA 1.343 55.362 54.000 0.032 0.000 0.998 413 D CB -1.483 39.330 40.800 0.021 0.000 1.124 413 D HN 0.904 nan 8.370 nan 0.000 0.413 414 R N -0.185 120.339 120.500 0.040 0.000 2.756 414 R HA 0.241 4.581 4.340 0.000 0.000 0.264 414 R C -0.492 175.838 176.300 0.049 0.000 1.026 414 R CA 0.012 56.139 56.100 0.045 0.000 1.121 414 R CB 0.576 30.906 30.300 0.051 0.000 0.999 414 R HN 0.036 nan 8.270 nan 0.000 0.449 415 V N 5.890 125.834 119.914 0.051 0.000 2.461 415 V HA 0.078 4.198 4.120 0.000 0.000 0.275 415 V C 1.059 177.192 176.094 0.065 0.000 1.047 415 V CA -0.098 62.233 62.300 0.052 0.000 0.955 415 V CB 1.281 33.137 31.823 0.055 0.000 0.988 415 V HN 0.786 nan 8.190 nan 0.000 0.471 416 L N 3.979 125.241 121.223 0.066 0.000 2.467 416 L HA 0.523 4.863 4.340 0.000 0.000 0.213 416 L C 1.032 177.945 176.870 0.072 0.000 1.053 416 L CA 0.661 55.547 54.840 0.077 0.000 0.847 416 L CB 0.263 42.378 42.059 0.092 0.000 1.075 416 L HN 0.755 nan 8.230 nan 0.000 0.479 417 G N -0.295 108.537 108.800 0.052 0.000 2.742 417 G HA2 0.678 4.638 3.960 0.000 0.000 0.296 417 G HA3 0.678 4.638 3.960 0.000 0.000 0.296 417 G C -1.881 172.966 174.900 -0.089 0.000 1.436 417 G CA -0.039 45.058 45.100 -0.005 0.000 0.928 417 G HN 0.048 nan 8.290 nan 0.000 0.520 418 A N 1.554 124.229 122.820 -0.242 0.000 2.355 418 A HA 0.915 5.235 4.320 0.000 0.000 0.324 418 A C -0.995 176.315 177.584 -0.456 0.000 1.117 418 A CA -0.750 51.210 52.037 -0.128 0.000 0.785 418 A CB 1.318 20.384 19.000 0.110 0.000 1.254 418 A HN 0.767 nan 8.150 nan 0.000 0.453 419 H N 1.571 120.726 119.070 0.141 0.000 3.096 419 H HA 0.378 4.934 4.556 0.000 0.000 0.335 419 H C -1.594 173.798 175.328 0.107 0.000 0.990 419 H CA -0.191 55.936 56.048 0.132 0.000 1.393 419 H CB 1.298 31.082 29.762 0.038 0.000 1.742 419 H HN 0.539 nan 8.280 nan 0.000 0.501 420 I N 4.096 124.791 120.570 0.209 0.000 2.389 420 I HA 0.164 4.334 4.170 0.000 0.000 0.288 420 I C -0.479 175.739 176.117 0.169 0.000 0.999 420 I CA -0.680 60.727 61.300 0.179 0.000 1.129 420 I CB 2.154 40.239 38.000 0.141 0.000 1.288 420 I HN 0.235 nan 8.210 nan 0.000 0.444 421 L N 7.175 128.519 121.223 0.202 0.000 2.353 421 L HA 0.955 5.295 4.340 0.000 0.000 0.270 421 L C -0.149 176.887 176.870 0.277 0.000 1.003 421 L CA 0.434 55.367 54.840 0.154 0.000 0.862 421 L CB 0.795 42.918 42.059 0.106 0.000 1.221 421 L HN 0.747 nan 8.230 nan 0.000 0.430 422 G N 3.632 112.499 108.800 0.111 0.000 2.320 422 G HA2 0.284 4.244 3.960 0.000 0.000 0.296 422 G HA3 0.284 4.244 3.960 0.000 0.000 0.296 422 G C -3.389 171.206 174.900 -0.509 0.000 1.306 422 G CA -0.727 44.240 45.100 -0.222 0.000 0.836 422 G HN 0.319 nan 8.290 nan 0.000 0.517 423 P HA 0.230 nan 4.420 nan 0.000 0.265 423 P C 1.054 178.094 177.300 -0.433 0.000 1.187 423 P CA 1.838 64.599 63.100 -0.565 0.000 0.766 423 P CB 0.725 32.117 31.700 -0.514 0.000 0.820 424 G N 2.416 111.062 108.800 -0.256 0.000 2.187 424 G HA2 -0.334 3.626 3.960 0.000 0.000 0.261 424 G HA3 -0.334 3.626 3.960 0.000 0.000 0.261 424 G C 1.142 175.960 174.900 -0.136 0.000 1.000 424 G CA 0.605 45.610 45.100 -0.157 0.000 0.718 424 G HN 0.726 nan 8.290 nan 0.000 0.519 425 A N 0.138 122.861 122.820 -0.161 0.000 1.873 425 A HA 0.156 4.476 4.320 0.000 0.000 0.218 425 A C 3.039 180.503 177.584 -0.200 0.000 1.193 425 A CA 2.599 54.556 52.037 -0.134 0.000 0.629 425 A CB -1.303 17.611 19.000 -0.144 0.000 0.826 425 A HN 1.781 nan 8.150 nan 0.000 0.447 426 G N -0.320 108.314 108.800 -0.276 0.000 2.624 426 G HA2 -0.347 3.613 3.960 0.000 0.000 0.221 426 G HA3 -0.347 3.613 3.960 0.000 0.000 0.221 426 G C 1.396 176.176 174.900 -0.200 0.000 1.169 426 G CA 1.431 46.337 45.100 -0.323 0.000 0.771 426 G HN 0.577 nan 8.290 nan 0.000 0.598 427 E N -0.199 119.919 120.200 -0.136 0.000 2.033 427 E HA -0.016 4.334 4.350 0.000 0.000 0.189 427 E C 2.445 178.959 176.600 -0.142 0.000 0.979 427 E CA 0.642 56.978 56.400 -0.106 0.000 0.802 427 E CB -0.649 29.014 29.700 -0.062 0.000 0.763 427 E HN 0.495 nan 8.360 nan 0.000 0.449 428 M N 1.005 120.515 119.600 -0.150 0.000 2.327 428 M HA -0.165 4.315 4.480 0.000 0.000 0.258 428 M C 2.042 178.119 176.300 -0.371 0.000 1.079 428 M CA 1.005 56.167 55.300 -0.229 0.000 1.056 428 M CB 0.039 32.542 32.600 -0.162 0.000 1.387 428 M HN -0.043 nan 8.290 nan 0.000 0.423 429 V N 0.011 119.754 119.914 -0.285 0.000 3.306 429 V HA -0.129 3.991 4.120 0.000 0.000 0.264 429 V C 1.204 177.148 176.094 -0.250 0.000 1.149 429 V CA 1.587 63.711 62.300 -0.293 0.000 1.143 429 V CB -0.649 31.027 31.823 -0.246 0.000 0.767 429 V HN 0.583 nan 8.190 nan 0.000 0.476 430 N N -0.256 118.317 118.700 -0.212 0.000 2.354 430 N HA -0.112 4.628 4.740 0.000 0.000 0.179 430 N C 1.734 177.174 175.510 -0.117 0.000 1.021 430 N CA 0.913 53.872 53.050 -0.151 0.000 0.887 430 N CB 0.082 38.495 38.487 -0.123 0.000 0.974 430 N HN 0.568 nan 8.380 nan 0.000 0.437 431 E N 1.114 121.215 120.200 -0.164 0.000 2.012 431 E HA -0.199 4.151 4.350 0.000 0.000 0.197 431 E C 1.988 178.566 176.600 -0.037 0.000 1.007 431 E CA 1.289 57.630 56.400 -0.098 0.000 0.816 431 E CB -0.065 29.520 29.700 -0.191 0.000 0.762 431 E HN 0.366 nan 8.360 nan 0.000 0.451 432 A N 0.981 123.671 122.820 -0.217 0.000 1.948 432 A HA -0.191 4.129 4.320 0.000 0.000 0.220 432 A C 2.341 179.965 177.584 0.068 0.000 1.177 432 A CA 2.008 54.098 52.037 0.088 0.000 0.636 432 A CB -0.812 18.199 19.000 0.018 0.000 0.815 432 A HN 0.430 nan 8.150 nan 0.000 0.449 433 A N -0.912 121.895 122.820 -0.022 0.000 1.972 433 A HA 0.061 4.381 4.320 0.000 0.000 0.219 433 A C 2.079 179.667 177.584 0.008 0.000 1.169 433 A CA 1.680 53.709 52.037 -0.014 0.000 0.635 433 A CB -0.426 18.539 19.000 -0.058 0.000 0.810 433 A HN 0.648 nan 8.150 nan 0.000 0.446 434 L N -0.504 120.738 121.223 0.032 0.000 2.022 434 L HA 0.186 4.526 4.340 0.000 0.000 0.204 434 L C 2.668 179.623 176.870 0.143 0.000 1.076 434 L CA 2.110 56.984 54.840 0.058 0.000 0.749 434 L CB -1.244 40.877 42.059 0.104 0.000 0.903 434 L HN 0.287 nan 8.230 nan 0.000 0.439 435 A N -0.167 122.783 122.820 0.217 0.000 1.915 435 A HA -0.296 4.024 4.320 0.000 0.000 0.220 435 A C 2.310 180.016 177.584 0.202 0.000 1.198 435 A CA 2.478 54.669 52.037 0.258 0.000 0.647 435 A CB -1.340 17.821 19.000 0.268 0.000 0.825 435 A HN 0.562 nan 8.150 nan 0.000 0.456 436 L N -0.117 121.194 121.223 0.148 0.000 2.012 436 L HA -0.136 4.204 4.340 0.000 0.000 0.210 436 L C 2.123 179.039 176.870 0.078 0.000 1.073 436 L CA 2.590 57.496 54.840 0.109 0.000 0.748 436 L CB -0.597 41.513 42.059 0.086 0.000 0.891 436 L HN 0.574 nan 8.230 nan 0.000 0.431 437 E N -1.979 118.236 120.200 0.025 0.000 2.515 437 E HA -0.195 4.155 4.350 0.000 0.000 0.201 437 E C 0.265 176.796 176.600 -0.114 0.000 1.071 437 E CA 0.234 56.600 56.400 -0.057 0.000 0.880 437 E CB 0.073 29.696 29.700 -0.128 0.000 0.828 437 E HN 0.587 nan 8.360 nan 0.000 0.540 438 Y N -1.000 119.324 120.300 0.040 0.000 2.696 438 Y HA 0.263 4.813 4.550 0.000 0.000 0.260 438 Y C 1.311 177.230 175.900 0.031 0.000 1.165 438 Y CA 0.096 58.214 58.100 0.031 0.000 1.189 438 Y CB 0.939 39.418 38.460 0.032 0.000 1.180 438 Y HN 0.105 nan 8.280 nan 0.000 0.538 439 G N 0.774 109.667 108.800 0.154 0.000 2.230 439 G HA2 -0.355 3.605 3.960 0.000 0.000 0.270 439 G HA3 -0.355 3.605 3.960 0.000 0.000 0.270 439 G C 0.800 175.764 174.900 0.106 0.000 0.987 439 G CA 0.274 45.440 45.100 0.111 0.000 0.664 439 G HN 0.758 nan 8.290 nan 0.000 0.539 440 A N 0.177 123.078 122.820 0.134 0.000 2.600 440 A HA 0.402 4.722 4.320 0.000 0.000 0.253 440 A C 1.223 178.844 177.584 0.063 0.000 0.997 440 A CA 1.406 53.501 52.037 0.096 0.000 0.820 440 A CB -0.128 18.942 19.000 0.117 0.000 0.888 440 A HN 2.181 nan 8.150 nan 0.000 0.508 441 S N 1.699 117.423 115.700 0.040 0.000 2.655 441 S HA 0.229 4.699 4.470 0.000 0.000 0.265 441 S C 1.211 175.814 174.600 0.006 0.000 1.240 441 S CA -0.102 58.114 58.200 0.027 0.000 0.986 441 S CB 0.806 64.019 63.200 0.022 0.000 0.985 441 S HN 0.802 nan 8.310 nan 0.000 0.562 442 C N 0.507 119.805 119.300 -0.004 0.000 2.419 442 C HA 0.032 4.492 4.460 0.000 0.000 0.281 442 C C 2.593 177.562 174.990 -0.035 0.000 1.336 442 C CA 0.824 59.821 59.018 -0.036 0.000 1.770 442 C CB -1.538 26.186 27.740 -0.028 0.000 1.929 442 C HN 1.011 nan 8.230 nan 0.000 0.509 443 E N 0.823 121.019 120.200 -0.007 0.000 2.170 443 E HA -0.148 4.202 4.350 0.000 0.000 0.191 443 E C 1.428 178.026 176.600 -0.004 0.000 0.981 443 E CA 0.638 57.039 56.400 0.002 0.000 0.830 443 E CB -0.202 29.509 29.700 0.018 0.000 0.775 443 E HN 0.516 nan 8.360 nan 0.000 0.470 444 D N 0.738 121.136 120.400 -0.003 0.000 2.170 444 D HA -0.210 4.430 4.640 0.000 0.000 0.193 444 D C 1.950 178.249 176.300 -0.002 0.000 1.004 444 D CA 1.354 55.352 54.000 -0.004 0.000 0.860 444 D CB -0.036 40.768 40.800 0.006 0.000 0.931 444 D HN 0.337 nan 8.370 nan 0.000 0.448 445 I N 0.354 120.916 120.570 -0.012 0.000 2.867 445 I HA -0.057 4.113 4.170 0.000 0.000 0.265 445 I C 2.371 178.492 176.117 0.008 0.000 1.162 445 I CA 0.326 61.627 61.300 0.000 0.000 1.471 445 I CB 0.024 37.972 38.000 -0.088 0.000 1.123 445 I HN -0.135 nan 8.210 nan 0.000 0.440 446 A N 0.620 123.415 122.820 -0.041 0.000 2.070 446 A HA -0.202 4.118 4.320 0.000 0.000 0.220 446 A C 2.253 179.839 177.584 0.002 0.000 1.159 446 A CA 1.569 53.581 52.037 -0.042 0.000 0.656 446 A CB -0.427 18.547 19.000 -0.042 0.000 0.800 446 A HN 0.257 nan 8.150 nan 0.000 0.453 447 R N -0.960 119.546 120.500 0.010 0.000 2.112 447 R HA 0.135 4.475 4.340 0.000 0.000 0.216 447 R C 0.378 176.678 176.300 0.001 0.000 1.080 447 R CA 0.305 56.408 56.100 0.005 0.000 0.996 447 R CB -0.256 30.041 30.300 -0.004 0.000 0.902 447 R HN 0.266 nan 8.270 nan 0.000 0.449 448 V N 1.223 121.139 119.914 0.002 0.000 2.617 448 V HA -0.135 3.985 4.120 0.000 0.000 0.304 448 V C 0.551 176.573 176.094 -0.121 0.000 1.040 448 V CA -0.367 61.886 62.300 -0.079 0.000 1.149 448 V CB 0.381 32.131 31.823 -0.122 0.000 0.914 448 V HN 0.364 nan 8.190 nan 0.000 0.487 449 C N 6.988 126.201 119.300 -0.145 0.000 2.629 449 C HA 0.348 4.808 4.460 0.000 0.000 0.410 449 C C 0.293 175.153 174.990 -0.216 0.000 1.339 449 C CA -0.296 58.661 59.018 -0.102 0.000 1.810 449 C CB -1.471 26.234 27.740 -0.059 0.000 2.549 449 C HN 0.932 nan 8.230 nan 0.000 0.589 450 H N 3.646 122.729 119.070 0.021 0.000 2.466 450 H HA 0.570 5.126 4.556 0.000 0.000 0.338 450 H C 0.590 175.954 175.328 0.060 0.000 1.091 450 H CA 0.437 56.511 56.048 0.044 0.000 1.207 450 H CB 1.496 31.287 29.762 0.049 0.000 1.466 450 H HN 0.982 nan 8.280 nan 0.000 0.493 451 A N 2.263 125.181 122.820 0.163 0.000 2.455 451 A HA 0.210 4.530 4.320 0.000 0.000 0.244 451 A C -0.478 177.225 177.584 0.198 0.000 1.099 451 A CA 0.333 52.454 52.037 0.139 0.000 0.786 451 A CB -0.030 19.027 19.000 0.096 0.000 1.051 451 A HN 0.918 nan 8.150 nan 0.000 0.508 452 H N -0.204 118.900 119.070 0.056 0.000 2.966 452 H HA 0.601 5.157 4.556 0.000 0.000 0.347 452 H C -2.805 172.551 175.328 0.045 0.000 1.048 452 H CA -1.261 54.818 56.048 0.053 0.000 1.295 452 H CB 1.426 31.215 29.762 0.045 0.000 1.744 452 H HN 0.616 nan 8.280 nan 0.000 0.513 453 P HA 0.433 nan 4.420 nan 0.000 0.293 453 P C -1.236 175.996 177.300 -0.113 0.000 1.291 453 P CA -0.632 62.189 63.100 -0.464 0.000 0.867 453 P CB 2.005 33.383 31.700 -0.538 0.000 1.074 454 T N -1.325 113.217 114.554 -0.021 0.000 2.853 454 T HA 0.248 4.598 4.350 0.000 0.000 0.311 454 T C 0.637 175.393 174.700 0.093 0.000 1.307 454 T CA -0.751 61.376 62.100 0.045 0.000 1.019 454 T CB 0.694 69.608 68.868 0.077 0.000 1.264 454 T HN -0.032 nan 8.240 nan 0.000 0.497 455 L N 1.711 122.998 121.223 0.106 0.000 2.042 455 L HA 0.028 4.368 4.340 0.000 0.000 0.210 455 L C 2.743 179.744 176.870 0.218 0.000 1.076 455 L CA 1.865 56.819 54.840 0.190 0.000 0.749 455 L CB -1.561 40.560 42.059 0.102 0.000 0.893 455 L HN 0.886 nan 8.230 nan 0.000 0.432 456 S N -0.765 115.016 115.700 0.135 0.000 2.584 456 S HA -0.122 4.348 4.470 0.000 0.000 0.240 456 S C 1.645 176.229 174.600 -0.027 0.000 0.975 456 S CA 0.349 58.608 58.200 0.098 0.000 0.949 456 S CB -0.293 62.985 63.200 0.131 0.000 0.761 456 S HN 0.497 nan 8.310 nan 0.000 0.536 457 E N 1.293 121.493 120.200 0.001 0.000 2.204 457 E HA -0.060 4.290 4.350 0.000 0.000 0.194 457 E C 2.305 178.738 176.600 -0.279 0.000 0.989 457 E CA 0.825 57.156 56.400 -0.115 0.000 0.824 457 E CB -0.152 29.542 29.700 -0.011 0.000 0.756 457 E HN 0.551 nan 8.360 nan 0.000 0.477 458 A N 1.062 123.793 122.820 -0.149 0.000 1.898 458 A HA -0.172 4.148 4.320 0.000 0.000 0.216 458 A C 1.873 179.328 177.584 -0.216 0.000 1.181 458 A CA 0.866 52.753 52.037 -0.250 0.000 0.620 458 A CB -0.617 18.345 19.000 -0.064 0.000 0.819 458 A HN 0.349 nan 8.150 nan 0.000 0.442 459 F N 0.586 120.393 119.950 -0.239 0.000 2.546 459 F HA -0.014 4.513 4.527 0.000 0.000 0.298 459 F C 2.022 177.667 175.800 -0.260 0.000 1.120 459 F CA 1.226 59.109 58.000 -0.195 0.000 1.456 459 F CB -0.158 38.759 39.000 -0.139 0.000 1.088 459 F HN 0.304 nan 8.300 nan 0.000 0.572 460 R N 0.280 120.529 120.500 -0.419 0.000 2.062 460 R HA 0.006 4.346 4.340 0.000 0.000 0.218 460 R C 1.895 177.962 176.300 -0.388 0.000 1.161 460 R CA 0.956 56.771 56.100 -0.474 0.000 0.994 460 R CB -0.534 29.474 30.300 -0.487 0.000 0.888 460 R HN 0.178 nan 8.270 nan 0.000 0.442 461 E N 0.831 120.737 120.200 -0.490 0.000 2.401 461 E HA -0.157 4.193 4.350 0.000 0.000 0.199 461 E C 1.621 178.065 176.600 -0.261 0.000 1.023 461 E CA 0.931 57.050 56.400 -0.468 0.000 0.859 461 E CB 0.086 29.222 29.700 -0.941 0.000 0.780 461 E HN 0.503 nan 8.360 nan 0.000 0.523 462 A N 2.098 124.770 122.820 -0.246 0.000 1.835 462 A HA -0.164 4.156 4.320 0.000 0.000 0.213 462 A C 1.905 179.413 177.584 -0.127 0.000 1.210 462 A CA 1.320 53.299 52.037 -0.098 0.000 0.605 462 A CB -0.673 18.278 19.000 -0.082 0.000 0.860 462 A HN 0.158 nan 8.150 nan 0.000 0.447 463 N N -0.336 118.216 118.700 -0.247 0.000 2.247 463 N HA -0.173 4.567 4.740 0.000 0.000 0.189 463 N C 1.457 176.899 175.510 -0.114 0.000 1.009 463 N CA 1.353 54.274 53.050 -0.215 0.000 0.872 463 N CB -0.330 37.953 38.487 -0.340 0.000 0.980 463 N HN 0.474 nan 8.380 nan 0.000 0.436 464 L N 0.370 121.526 121.223 -0.113 0.000 2.007 464 L HA -0.013 4.327 4.340 0.000 0.000 0.205 464 L C 2.091 178.976 176.870 0.025 0.000 1.073 464 L CA 1.487 56.299 54.840 -0.047 0.000 0.744 464 L CB -0.721 41.286 42.059 -0.087 0.000 0.898 464 L HN 0.143 nan 8.230 nan 0.000 0.435 465 A N -0.529 122.306 122.820 0.026 0.000 1.986 465 A HA -0.194 4.126 4.320 0.000 0.000 0.220 465 A C 2.340 179.969 177.584 0.076 0.000 1.171 465 A CA 1.838 53.925 52.037 0.082 0.000 0.640 465 A CB -1.088 17.977 19.000 0.108 0.000 0.811 465 A HN 0.590 nan 8.150 nan 0.000 0.451 466 A N -1.201 121.642 122.820 0.038 0.000 2.016 466 A HA 0.139 4.459 4.320 0.000 0.000 0.217 466 A C 2.271 179.881 177.584 0.043 0.000 1.162 466 A CA 1.666 53.723 52.037 0.034 0.000 0.662 466 A CB -0.361 18.641 19.000 0.004 0.000 0.812 466 A HN 0.454 nan 8.150 nan 0.000 0.450 467 S N -1.140 114.591 115.700 0.051 0.000 2.349 467 S HA 0.283 4.753 4.470 0.000 0.000 0.167 467 S C 0.347 175.011 174.600 0.107 0.000 1.027 467 S CA -0.436 57.802 58.200 0.063 0.000 1.284 467 S CB -0.500 62.736 63.200 0.061 0.000 0.774 467 S HN 0.436 nan 8.310 nan 0.000 0.448 468 F N 3.088 123.031 119.950 -0.012 0.000 2.607 468 F HA 0.317 4.844 4.527 0.000 0.000 0.374 468 F C 1.614 177.413 175.800 -0.002 0.000 1.104 468 F CA -0.388 57.607 58.000 -0.008 0.000 1.296 468 F CB -0.122 38.871 39.000 -0.012 0.000 1.085 468 F HN 0.424 nan 8.300 nan 0.000 0.584 469 G N 5.805 114.761 108.800 0.260 0.000 2.869 469 G HA2 -0.324 3.636 3.960 0.000 0.000 0.236 469 G HA3 -0.324 3.636 3.960 0.000 0.000 0.236 469 G C 0.552 175.594 174.900 0.236 0.000 1.134 469 G CA 1.881 47.118 45.100 0.229 0.000 0.748 469 G HN 0.817 nan 8.290 nan 0.000 0.644 470 K N -1.619 118.956 120.400 0.291 0.000 2.213 470 K HA 0.636 4.956 4.320 0.000 0.000 0.254 470 K C -0.556 176.073 176.600 0.048 0.000 1.062 470 K CA -0.277 56.086 56.287 0.127 0.000 0.884 470 K CB 1.130 33.674 32.500 0.073 0.000 1.437 470 K HN 0.237 nan 8.250 nan 0.000 0.464 471 S N -0.627 115.103 115.700 0.051 0.000 2.767 471 S HA 0.406 4.876 4.470 0.000 0.000 0.300 471 S C 1.166 175.758 174.600 -0.014 0.000 1.123 471 S CA -0.858 57.359 58.200 0.029 0.000 0.992 471 S CB 0.645 63.959 63.200 0.189 0.000 1.138 471 S HN 0.555 nan 8.310 nan 0.000 0.550 472 I N 0.819 121.374 120.570 -0.024 0.000 2.405 472 I HA 0.002 4.172 4.170 0.000 0.000 0.236 472 I C 2.004 178.167 176.117 0.077 0.000 1.071 472 I CA 0.548 61.834 61.300 -0.023 0.000 1.398 472 I CB -0.447 37.521 38.000 -0.054 0.000 1.162 472 I HN 0.544 nan 8.210 nan 0.000 0.432 473 N N 0.155 118.954 118.700 0.165 0.000 2.573 473 N HA -0.035 4.705 4.740 0.000 0.000 0.187 473 N C -0.008 175.754 175.510 0.421 0.000 1.107 473 N CA 0.740 53.955 53.050 0.274 0.000 0.918 473 N CB 0.154 38.830 38.487 0.314 0.000 0.966 473 N HN 0.176 nan 8.380 nan 0.000 0.448 474 F N 0.000 120.118 119.950 0.280 0.000 2.286 474 F HA 0.000 4.527 4.527 0.000 0.000 0.279 474 F CA 0.000 58.068 58.000 0.113 0.000 1.383 474 F CB 0.000 38.949 39.000 -0.086 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574