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 2wme_1_H DATA FIRST_RESID 2 DATA SEQUENCE ARFEEQKLYI GGRYVEASSG ATFETINPAN GEVLAKVQRA SREDVERAVQ DATA SEQUENCE SAVEGQKVWA AMTAMQRSRI LRRAVDILRE RNDELAALET LDTGKPLAET DATA SEQUENCE RSVDIVTGAD VLEYYAGLVP AIEGEQIPLR ETSFVYTRRE PLGVVAGIGA DATA SEQUENCE WNYPVQIALW KSAPALAAGN AMIFKPSEVT PLTALKLAEI YTEAGVPDGV DATA SEQUENCE FNVLTGSGRE VGQWLTEHPL IEKISFTGGT STGKKVMASA SSSSLKEVTM DATA SEQUENCE ELGGKSPLII FPDADLDRAA DIAVMANFFS SGQVCTNGTR VFIHRSQQAR DATA SEQUENCE FEAKVLERVQ RIRLGDPQDE NTNFGPLVSF PHMESVLGYI ESGKAQKARL DATA SEQUENCE LCGGERVTDG AFGKGAYVAP TVFTDCRDDM TIVREEIFGP VMSILVYDDE DATA SEQUENCE DEAIRRANDT EYGLAAGVVT QDLARAHRAI HRLEAGICWI NTWGESPAEM DATA SEQUENCE PVGGYKQSGV GRENGLTTLA HYTRIKSVQV ELGDYASVF 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.517 177.584 -0.112 0.000 1.274 2 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 2 A CB 0.000 18.962 19.000 -0.064 0.000 0.831 3 R N -0.647 119.740 120.500 -0.188 0.000 2.057 3 R HA 0.207 4.548 4.340 0.002 0.000 0.229 3 R C -0.055 175.968 176.300 -0.461 0.000 1.136 3 R CA 1.480 57.347 56.100 -0.389 0.000 0.952 3 R CB -0.163 29.793 30.300 -0.572 0.000 0.848 3 R HN 0.297 nan 8.270 nan 0.000 0.430 4 F N 1.111 121.048 119.950 -0.022 0.000 2.483 4 F HA 0.368 4.896 4.527 0.002 0.000 0.329 4 F C 0.313 176.090 175.800 -0.038 0.000 1.064 4 F CA -1.236 56.747 58.000 -0.027 0.000 0.986 4 F CB 1.083 40.069 39.000 -0.023 0.000 1.218 4 F HN 0.020 nan 8.300 nan 0.000 0.484 5 E N 0.488 120.786 120.200 0.162 0.000 2.422 5 E HA -0.038 4.313 4.350 0.002 0.000 0.260 5 E C -0.245 176.370 176.600 0.025 0.000 1.108 5 E CA -0.128 56.304 56.400 0.053 0.000 0.943 5 E CB 0.437 30.146 29.700 0.014 0.000 0.961 5 E HN 0.562 nan 8.360 nan 0.000 0.443 6 E N 1.913 122.108 120.200 -0.008 0.000 2.417 6 E HA -0.086 4.265 4.350 0.002 0.000 0.261 6 E C -0.751 175.830 176.600 -0.032 0.000 1.000 6 E CA -0.321 56.065 56.400 -0.024 0.000 0.919 6 E CB 0.503 30.188 29.700 -0.024 0.000 0.955 6 E HN 0.279 nan 8.360 nan 0.000 0.455 7 Q N 3.134 122.921 119.800 -0.022 0.000 2.279 7 Q HA 0.213 4.555 4.340 0.002 0.000 0.256 7 Q C -0.694 175.367 176.000 0.101 0.000 0.937 7 Q CA -0.105 55.716 55.803 0.031 0.000 0.933 7 Q CB 1.269 30.034 28.738 0.044 0.000 1.189 7 Q HN 0.280 nan 8.270 nan 0.000 0.417 8 K N 0.995 121.532 120.400 0.229 0.000 2.168 8 K HA 0.505 4.826 4.320 0.002 0.000 0.239 8 K C 0.028 176.857 176.600 0.383 0.000 0.999 8 K CA -0.634 55.842 56.287 0.316 0.000 0.900 8 K CB 0.823 33.518 32.500 0.326 0.000 1.111 8 K HN 0.389 nan 8.250 nan 0.000 0.452 9 L N 1.351 122.711 121.223 0.228 0.000 2.461 9 L HA 0.159 4.500 4.340 0.002 0.000 0.272 9 L C -0.342 176.564 176.870 0.060 0.000 1.197 9 L CA -0.179 54.748 54.840 0.144 0.000 0.836 9 L CB 0.038 42.159 42.059 0.104 0.000 1.105 9 L HN 0.508 nan 8.230 nan 0.000 0.477 10 Y N 3.452 123.663 120.300 -0.148 0.000 2.356 10 Y HA 0.599 5.151 4.550 0.002 0.000 0.334 10 Y C -0.466 175.346 175.900 -0.147 0.000 0.958 10 Y CA -0.425 57.509 58.100 -0.276 0.000 1.196 10 Y CB 0.799 39.029 38.460 -0.384 0.000 1.137 10 Y HN 0.320 nan 8.280 nan 0.000 0.485 11 I N 4.676 125.055 120.570 -0.317 0.000 2.586 11 I HA 0.391 4.563 4.170 0.002 0.000 0.288 11 I C 0.417 176.399 176.117 -0.226 0.000 1.147 11 I CA -0.801 60.403 61.300 -0.160 0.000 1.047 11 I CB 2.231 40.185 38.000 -0.077 0.000 1.244 11 I HN 0.778 nan 8.210 nan 0.000 0.429 12 G N 3.909 112.630 108.800 -0.132 0.000 2.198 12 G HA2 -0.023 3.938 3.960 0.002 0.000 0.257 12 G HA3 -0.023 3.938 3.960 0.002 0.000 0.257 12 G C 0.886 175.698 174.900 -0.147 0.000 1.042 12 G CA 0.418 45.458 45.100 -0.101 0.000 0.791 12 G HN 1.773 nan 8.290 nan 0.000 0.502 13 G N -1.564 107.107 108.800 -0.214 0.000 2.136 13 G HA2 0.058 4.019 3.960 0.002 0.000 0.242 13 G HA3 0.058 4.019 3.960 0.002 0.000 0.242 13 G C 0.203 174.927 174.900 -0.294 0.000 0.989 13 G CA 1.135 46.176 45.100 -0.099 0.000 0.682 13 G HN 2.090 nan 8.290 nan 0.000 0.522 14 R N -2.027 118.014 120.500 -0.765 0.000 2.716 14 R HA 0.616 4.958 4.340 0.002 0.000 0.271 14 R C -0.736 175.178 176.300 -0.644 0.000 1.028 14 R CA -1.322 54.499 56.100 -0.465 0.000 0.883 14 R CB 0.808 31.016 30.300 -0.153 0.000 1.250 14 R HN 0.084 nan 8.270 nan 0.000 0.465 15 Y N 0.837 120.984 120.300 -0.255 0.000 2.425 15 Y HA 0.331 4.883 4.550 0.002 0.000 0.331 15 Y C 0.891 176.733 175.900 -0.096 0.000 1.157 15 Y CA -0.265 57.767 58.100 -0.114 0.000 1.372 15 Y CB 1.331 39.811 38.460 0.034 0.000 1.253 15 Y HN 0.440 nan 8.280 nan 0.000 0.536 16 V N -0.204 119.747 119.914 0.061 0.000 2.864 16 V HA 0.502 4.623 4.120 0.002 0.000 0.314 16 V C -0.439 175.701 176.094 0.077 0.000 1.073 16 V CA -1.389 60.936 62.300 0.041 0.000 0.956 16 V CB 1.949 33.766 31.823 -0.010 0.000 1.023 16 V HN 0.547 nan 8.190 nan 0.000 0.435 17 E N 2.452 122.686 120.200 0.058 0.000 2.299 17 E HA 0.408 4.760 4.350 0.002 0.000 0.272 17 E C 0.674 177.311 176.600 0.061 0.000 1.043 17 E CA 0.405 56.841 56.400 0.060 0.000 0.895 17 E CB 1.177 30.903 29.700 0.044 0.000 1.011 17 E HN 1.086 nan 8.360 nan 0.000 0.432 18 A N 3.167 126.033 122.820 0.077 0.000 2.536 18 A HA 0.058 4.379 4.320 0.002 0.000 0.234 18 A C 0.696 178.324 177.584 0.072 0.000 1.076 18 A CA 0.440 52.527 52.037 0.085 0.000 0.769 18 A CB 0.189 19.253 19.000 0.107 0.000 1.020 18 A HN 0.598 nan 8.150 nan 0.000 0.508 19 S N -0.579 115.166 115.700 0.075 0.000 2.384 19 S HA 0.387 4.858 4.470 0.002 0.000 0.227 19 S C 0.451 175.095 174.600 0.073 0.000 1.257 19 S CA 0.252 58.489 58.200 0.062 0.000 1.249 19 S CB 0.015 63.241 63.200 0.044 0.000 1.018 19 S HN 1.445 nan 8.310 nan 0.000 0.478 20 S N 0.285 116.039 115.700 0.090 0.000 2.665 20 S HA 0.551 5.022 4.470 0.002 0.000 0.240 20 S C 1.702 176.353 174.600 0.085 0.000 1.081 20 S CA 0.608 58.870 58.200 0.104 0.000 0.887 20 S CB -0.364 62.925 63.200 0.147 0.000 0.805 20 S HN 1.696 nan 8.310 nan 0.000 0.486 21 G N 1.407 110.252 108.800 0.076 0.000 2.217 21 G HA2 -0.052 3.909 3.960 0.002 0.000 0.246 21 G HA3 -0.052 3.909 3.960 0.002 0.000 0.246 21 G C 0.220 175.162 174.900 0.069 0.000 0.990 21 G CA 0.050 45.187 45.100 0.063 0.000 0.627 21 G HN 1.421 nan 8.290 nan 0.000 0.522 22 A N 0.209 123.084 122.820 0.091 0.000 2.312 22 A HA 0.927 5.248 4.320 0.002 0.000 0.326 22 A C 0.416 178.071 177.584 0.118 0.000 1.172 22 A CA 0.844 52.941 52.037 0.100 0.000 0.821 22 A CB 1.175 20.243 19.000 0.114 0.000 1.166 22 A HN 1.658 nan 8.150 nan 0.000 0.493 23 T N -1.038 113.582 114.554 0.110 0.000 2.907 23 T HA 0.826 5.178 4.350 0.002 0.000 0.290 23 T C -0.410 174.406 174.700 0.194 0.000 1.066 23 T CA -0.560 61.605 62.100 0.108 0.000 1.012 23 T CB 1.217 70.082 68.868 -0.005 0.000 1.184 23 T HN 1.156 nan 8.240 nan 0.000 0.522 24 F N -1.283 118.688 119.950 0.034 0.000 2.631 24 F HA 0.871 5.399 4.527 0.002 0.000 0.328 24 F C -0.556 175.265 175.800 0.034 0.000 1.067 24 F CA -1.283 56.734 58.000 0.029 0.000 0.969 24 F CB 1.406 40.420 39.000 0.024 0.000 1.332 24 F HN 0.564 nan 8.300 nan 0.000 0.490 25 E N 0.573 120.828 120.200 0.092 0.000 2.191 25 E HA 0.317 4.668 4.350 0.002 0.000 0.274 25 E C -1.121 175.535 176.600 0.092 0.000 0.948 25 E CA -1.032 55.362 56.400 -0.010 0.000 0.802 25 E CB 2.136 31.854 29.700 0.030 0.000 1.137 25 E HN 0.714 nan 8.360 nan 0.000 0.397 26 T N 3.031 117.600 114.554 0.026 0.000 2.795 26 T HA 0.431 4.782 4.350 0.002 0.000 0.282 26 T C -0.586 174.165 174.700 0.084 0.000 0.980 26 T CA -0.686 61.478 62.100 0.107 0.000 1.012 26 T CB 0.291 69.233 68.868 0.124 0.000 0.936 26 T HN 0.218 nan 8.240 nan 0.000 0.457 27 I N 5.245 125.871 120.570 0.093 0.000 2.436 27 I HA 0.329 4.501 4.170 0.002 0.000 0.289 27 I C 0.236 176.405 176.117 0.086 0.000 1.010 27 I CA -1.098 60.255 61.300 0.088 0.000 1.098 27 I CB 1.448 39.515 38.000 0.112 0.000 1.266 27 I HN 0.682 nan 8.210 nan 0.000 0.434 28 N N 9.551 128.298 118.700 0.078 0.000 2.416 28 N HA 0.130 4.872 4.740 0.002 0.000 0.265 28 N C -1.687 173.867 175.510 0.073 0.000 1.195 28 N CA -1.474 51.613 53.050 0.061 0.000 0.943 28 N CB 1.145 39.664 38.487 0.054 0.000 1.115 28 N HN 0.329 nan 8.380 nan 0.000 0.481 29 P HA 0.005 nan 4.420 nan 0.000 0.241 29 P C 0.599 177.798 177.300 -0.169 0.000 1.191 29 P CA 0.367 63.398 63.100 -0.115 0.000 0.771 29 P CB 0.258 31.801 31.700 -0.262 0.000 0.929 30 A N 1.534 124.319 122.820 -0.058 0.000 1.968 30 A HA -0.095 4.226 4.320 0.002 0.000 0.217 30 A C 1.023 178.717 177.584 0.184 0.000 1.169 30 A CA 1.492 53.545 52.037 0.028 0.000 0.638 30 A CB -0.845 18.186 19.000 0.052 0.000 0.812 30 A HN 0.426 nan 8.150 nan 0.000 0.446 31 N N -4.095 114.701 118.700 0.161 0.000 2.570 31 N HA 0.314 5.055 4.740 0.002 0.000 0.261 31 N C 0.490 176.110 175.510 0.184 0.000 1.540 31 N CA 0.507 53.673 53.050 0.194 0.000 0.959 31 N CB -0.568 37.997 38.487 0.130 0.000 1.449 31 N HN 0.606 nan 8.380 nan 0.000 0.519 32 G N 0.197 109.165 108.800 0.279 0.000 2.216 32 G HA2 -0.439 3.523 3.960 0.002 0.000 0.269 32 G HA3 -0.439 3.523 3.960 0.002 0.000 0.269 32 G C -0.034 174.918 174.900 0.087 0.000 0.981 32 G CA 0.925 46.145 45.100 0.199 0.000 0.658 32 G HN 0.817 nan 8.290 nan 0.000 0.539 33 E N 0.628 120.869 120.200 0.068 0.000 2.299 33 E HA 0.358 4.709 4.350 0.002 0.000 0.272 33 E C 0.668 177.274 176.600 0.009 0.000 1.043 33 E CA -0.675 55.735 56.400 0.016 0.000 0.895 33 E CB 0.587 30.281 29.700 -0.009 0.000 1.011 33 E HN 0.136 nan 8.360 nan 0.000 0.432 34 V N 7.470 127.380 119.914 -0.008 0.000 2.441 34 V HA -0.120 4.001 4.120 0.002 0.000 0.279 34 V C 1.355 177.431 176.094 -0.030 0.000 0.990 34 V CA 0.618 62.913 62.300 -0.008 0.000 1.116 34 V CB -0.083 31.729 31.823 -0.019 0.000 0.977 34 V HN 0.825 nan 8.190 nan 0.000 0.470 35 L N 4.390 125.621 121.223 0.013 0.000 2.127 35 L HA 0.338 4.679 4.340 0.002 0.000 0.203 35 L C 1.011 177.942 176.870 0.101 0.000 1.080 35 L CA 1.306 56.170 54.840 0.040 0.000 0.768 35 L CB -0.046 42.122 42.059 0.183 0.000 0.924 35 L HN 0.774 nan 8.230 nan 0.000 0.444 36 A N -0.875 121.988 122.820 0.072 0.000 2.594 36 A HA 0.438 4.759 4.320 0.002 0.000 0.296 36 A C -1.115 176.430 177.584 -0.064 0.000 1.061 36 A CA -0.707 51.353 52.037 0.039 0.000 0.689 36 A CB 0.947 20.003 19.000 0.094 0.000 1.280 36 A HN -0.059 nan 8.150 nan 0.000 0.406 37 K N 0.695 121.048 120.400 -0.078 0.000 2.379 37 K HA 0.476 4.798 4.320 0.002 0.000 0.284 37 K C -0.909 175.556 176.600 -0.226 0.000 1.044 37 K CA 0.081 56.281 56.287 -0.144 0.000 0.974 37 K CB 0.855 33.306 32.500 -0.081 0.000 0.962 37 K HN 0.432 nan 8.250 nan 0.000 0.474 38 V N 4.315 123.944 119.914 -0.474 0.000 2.409 38 V HA 0.136 4.258 4.120 0.002 0.000 0.290 38 V C -0.099 175.749 176.094 -0.409 0.000 1.017 38 V CA -1.132 60.825 62.300 -0.571 0.000 0.841 38 V CB 1.264 32.464 31.823 -1.038 0.000 1.003 38 V HN 0.754 nan 8.190 nan 0.000 0.426 39 Q N 3.320 123.076 119.800 -0.073 0.000 2.414 39 Q HA 0.224 4.565 4.340 0.002 0.000 0.288 39 Q C -0.221 175.923 176.000 0.240 0.000 1.086 39 Q CA 0.369 56.219 55.803 0.078 0.000 0.943 39 Q CB 1.068 29.864 28.738 0.096 0.000 1.282 39 Q HN 0.561 nan 8.270 nan 0.000 0.438 40 R N 0.468 121.114 120.500 0.243 0.000 2.338 40 R HA 0.466 4.807 4.340 0.002 0.000 0.317 40 R C -0.714 175.702 176.300 0.192 0.000 0.968 40 R CA -0.482 55.768 56.100 0.251 0.000 0.849 40 R CB 1.514 31.948 30.300 0.222 0.000 1.128 40 R HN 0.646 nan 8.270 nan 0.000 0.448 41 A N 2.352 125.281 122.820 0.182 0.000 2.425 41 A HA 0.186 4.508 4.320 0.002 0.000 0.249 41 A C 0.225 178.003 177.584 0.324 0.000 1.084 41 A CA 0.035 52.195 52.037 0.206 0.000 0.781 41 A CB 0.779 19.889 19.000 0.184 0.000 1.019 41 A HN 0.631 nan 8.150 nan 0.000 0.490 42 S N -0.061 115.807 115.700 0.280 0.000 2.632 42 S HA 0.248 4.719 4.470 0.002 0.000 0.267 42 S C 1.614 176.334 174.600 0.199 0.000 1.276 42 S CA -0.576 57.792 58.200 0.281 0.000 0.998 42 S CB 0.621 63.890 63.200 0.114 0.000 0.953 42 S HN 0.727 nan 8.310 nan 0.000 0.547 43 R N 0.874 121.223 120.500 -0.251 0.000 2.117 43 R HA -0.177 4.164 4.340 0.002 0.000 0.243 43 R C 2.055 178.272 176.300 -0.137 0.000 1.143 43 R CA 2.106 57.917 56.100 -0.482 0.000 0.968 43 R CB -0.214 29.564 30.300 -0.869 0.000 0.863 43 R HN 0.817 nan 8.270 nan 0.000 0.444 44 E N -0.160 119.992 120.200 -0.080 0.000 2.358 44 E HA -0.118 4.233 4.350 0.002 0.000 0.195 44 E C 0.776 177.392 176.600 0.027 0.000 1.010 44 E CA 0.876 57.263 56.400 -0.021 0.000 0.856 44 E CB 0.101 29.785 29.700 -0.027 0.000 0.795 44 E HN 0.202 nan 8.360 nan 0.000 0.504 45 D N 1.278 121.713 120.400 0.059 0.000 2.117 45 D HA -0.120 4.521 4.640 0.002 0.000 0.198 45 D C 2.131 178.478 176.300 0.078 0.000 0.982 45 D CA 1.121 55.168 54.000 0.077 0.000 0.828 45 D CB -0.165 40.703 40.800 0.113 0.000 0.967 45 D HN 0.106 nan 8.370 nan 0.000 0.464 46 V N 1.013 120.998 119.914 0.118 0.000 2.255 46 V HA -0.263 3.859 4.120 0.002 0.000 0.247 46 V C 2.480 178.614 176.094 0.068 0.000 1.051 46 V CA 1.895 64.266 62.300 0.118 0.000 1.018 46 V CB -0.515 31.446 31.823 0.230 0.000 0.641 46 V HN 0.107 nan 8.190 nan 0.000 0.445 47 E N 0.541 120.805 120.200 0.107 0.000 2.086 47 E HA -0.285 4.067 4.350 0.002 0.000 0.200 47 E C 2.360 178.984 176.600 0.040 0.000 1.012 47 E CA 2.038 58.507 56.400 0.115 0.000 0.812 47 E CB -0.394 29.356 29.700 0.084 0.000 0.743 47 E HN 0.427 nan 8.360 nan 0.000 0.453 48 R N -0.604 119.912 120.500 0.027 0.000 2.081 48 R HA -0.105 4.236 4.340 0.002 0.000 0.235 48 R C 2.212 178.507 176.300 -0.008 0.000 1.131 48 R CA 1.370 57.476 56.100 0.010 0.000 0.960 48 R CB -0.383 29.924 30.300 0.012 0.000 0.856 48 R HN 0.270 nan 8.270 nan 0.000 0.436 49 A N 0.132 122.946 122.820 -0.011 0.000 1.902 49 A HA -0.097 4.224 4.320 0.002 0.000 0.217 49 A C 2.242 179.790 177.584 -0.059 0.000 1.181 49 A CA 1.482 53.501 52.037 -0.031 0.000 0.623 49 A CB -0.474 18.513 19.000 -0.023 0.000 0.818 49 A HN 0.219 nan 8.150 nan 0.000 0.443 50 V N 0.049 119.904 119.914 -0.099 0.000 2.343 50 V HA -0.242 3.879 4.120 0.002 0.000 0.247 50 V C 2.698 178.748 176.094 -0.073 0.000 1.051 50 V CA 1.983 64.189 62.300 -0.156 0.000 1.036 50 V CB -0.746 30.823 31.823 -0.424 0.000 0.654 50 V HN 0.522 nan 8.190 nan 0.000 0.451 51 Q N -0.341 119.439 119.800 -0.034 0.000 2.170 51 Q HA -0.149 4.193 4.340 0.002 0.000 0.203 51 Q C 2.547 178.542 176.000 -0.008 0.000 0.976 51 Q CA 1.881 57.680 55.803 -0.006 0.000 0.858 51 Q CB -0.869 27.873 28.738 0.008 0.000 0.907 51 Q HN 0.626 nan 8.270 nan 0.000 0.433 52 S N 0.354 116.043 115.700 -0.017 0.000 2.368 52 S HA -0.109 4.362 4.470 0.002 0.000 0.225 52 S C 1.916 176.509 174.600 -0.012 0.000 1.030 52 S CA 1.225 59.415 58.200 -0.015 0.000 0.999 52 S CB -0.077 63.108 63.200 -0.025 0.000 0.844 52 S HN 0.429 nan 8.310 nan 0.000 0.459 53 A N 0.605 123.412 122.820 -0.022 0.000 1.969 53 A HA 0.068 4.390 4.320 0.002 0.000 0.218 53 A C 2.304 179.890 177.584 0.005 0.000 1.169 53 A CA 1.463 53.490 52.037 -0.016 0.000 0.635 53 A CB -0.846 18.136 19.000 -0.031 0.000 0.810 53 A HN 0.443 nan 8.150 nan 0.000 0.445 54 V N 0.283 120.199 119.914 0.004 0.000 2.295 54 V HA -0.199 3.922 4.120 0.002 0.000 0.246 54 V C 2.495 178.607 176.094 0.029 0.000 1.049 54 V CA 2.134 64.446 62.300 0.020 0.000 1.024 54 V CB -0.599 31.234 31.823 0.017 0.000 0.648 54 V HN 0.510 nan 8.190 nan 0.000 0.447 55 E N 0.264 120.478 120.200 0.023 0.000 2.216 55 E HA -0.059 4.292 4.350 0.002 0.000 0.192 55 E C 2.230 178.854 176.600 0.039 0.000 0.988 55 E CA 1.153 57.570 56.400 0.029 0.000 0.834 55 E CB -0.360 29.353 29.700 0.021 0.000 0.772 55 E HN 0.625 nan 8.360 nan 0.000 0.479 56 G N 1.014 109.836 108.800 0.036 0.000 2.396 56 G HA2 -0.237 3.724 3.960 0.002 0.000 0.214 56 G HA3 -0.237 3.724 3.960 0.002 0.000 0.214 56 G C 1.489 176.443 174.900 0.089 0.000 1.166 56 G CA 0.179 45.306 45.100 0.046 0.000 0.793 56 G HN 0.137 nan 8.290 nan 0.000 0.533 57 Q N 0.835 120.686 119.800 0.086 0.000 2.112 57 Q HA -0.161 4.181 4.340 0.002 0.000 0.206 57 Q C 2.427 178.517 176.000 0.149 0.000 0.987 57 Q CA 1.714 57.602 55.803 0.141 0.000 0.858 57 Q CB -0.250 28.550 28.738 0.103 0.000 0.905 57 Q HN 0.414 nan 8.270 nan 0.000 0.420 58 K N -0.622 119.837 120.400 0.098 0.000 2.089 58 K HA -0.166 4.155 4.320 0.002 0.000 0.210 58 K C 2.134 178.790 176.600 0.094 0.000 1.048 58 K CA 1.821 58.156 56.287 0.079 0.000 0.926 58 K CB -0.165 32.369 32.500 0.056 0.000 0.714 58 K HN 0.063 nan 8.250 nan 0.000 0.448 59 V N -0.056 119.930 119.914 0.119 0.000 2.283 59 V HA -0.225 3.896 4.120 0.002 0.000 0.243 59 V C 1.895 178.100 176.094 0.185 0.000 1.039 59 V CA 1.601 63.978 62.300 0.129 0.000 1.016 59 V CB -0.556 31.341 31.823 0.123 0.000 0.650 59 V HN 0.547 nan 8.190 nan 0.000 0.449 60 W N 0.868 122.170 121.300 0.003 0.000 2.363 60 W HA -0.173 4.488 4.660 0.002 0.000 0.296 60 W C 2.219 178.734 176.519 -0.006 0.000 1.212 60 W CA 1.473 58.816 57.345 -0.004 0.000 1.260 60 W CB 0.034 29.488 29.460 -0.011 0.000 1.131 60 W HN 0.292 nan 8.180 nan 0.000 0.530 61 A N 0.196 123.045 122.820 0.049 0.000 2.123 61 A HA 0.177 4.498 4.320 0.002 0.000 0.214 61 A C 1.907 179.450 177.584 -0.069 0.000 1.152 61 A CA 1.196 53.187 52.037 -0.077 0.000 0.728 61 A CB -0.879 18.127 19.000 0.010 0.000 0.814 61 A HN 0.239 nan 8.150 nan 0.000 0.464 62 A N -0.670 122.139 122.820 -0.019 0.000 2.167 62 A HA 0.295 4.617 4.320 0.002 0.000 0.214 62 A C 1.207 178.763 177.584 -0.046 0.000 1.151 62 A CA 0.120 52.145 52.037 -0.020 0.000 0.735 62 A CB -0.434 18.573 19.000 0.011 0.000 0.802 62 A HN 0.537 nan 8.150 nan 0.000 0.467 63 M N 0.929 120.479 119.600 -0.083 0.000 2.232 63 M HA 0.139 4.620 4.480 0.002 0.000 0.321 63 M C 1.088 177.304 176.300 -0.141 0.000 1.101 63 M CA 0.079 55.312 55.300 -0.111 0.000 1.181 63 M CB 0.535 33.035 32.600 -0.166 0.000 1.432 63 M HN 0.441 nan 8.290 nan 0.000 0.457 64 T N -0.602 113.884 114.554 -0.113 0.000 2.813 64 T HA 0.313 4.665 4.350 0.002 0.000 0.297 64 T C 1.088 175.693 174.700 -0.158 0.000 1.036 64 T CA -0.332 61.702 62.100 -0.110 0.000 1.044 64 T CB 0.894 69.717 68.868 -0.075 0.000 0.993 64 T HN 0.699 nan 8.240 nan 0.000 0.535 65 A N 1.542 124.278 122.820 -0.140 0.000 1.933 65 A HA -0.051 4.271 4.320 0.002 0.000 0.218 65 A C 2.238 179.740 177.584 -0.138 0.000 1.175 65 A CA 1.908 53.851 52.037 -0.157 0.000 0.628 65 A CB -0.922 18.011 19.000 -0.113 0.000 0.814 65 A HN 0.844 nan 8.150 nan 0.000 0.444 66 M N -0.199 119.343 119.600 -0.097 0.000 2.175 66 M HA -0.109 4.372 4.480 0.002 0.000 0.264 66 M C 2.049 178.308 176.300 -0.068 0.000 1.063 66 M CA 1.630 56.889 55.300 -0.069 0.000 1.119 66 M CB -0.680 31.892 32.600 -0.047 0.000 1.377 66 M HN 0.528 nan 8.290 nan 0.000 0.415 67 Q N -0.716 119.034 119.800 -0.083 0.000 2.096 67 Q HA -0.191 4.151 4.340 0.002 0.000 0.204 67 Q C 2.199 178.141 176.000 -0.096 0.000 0.982 67 Q CA 1.635 57.398 55.803 -0.067 0.000 0.850 67 Q CB -0.221 28.479 28.738 -0.064 0.000 0.901 67 Q HN 0.530 nan 8.270 nan 0.000 0.422 68 R N -0.228 120.118 120.500 -0.256 0.000 2.075 68 R HA -0.091 4.250 4.340 0.002 0.000 0.232 68 R C 2.564 178.813 176.300 -0.086 0.000 1.126 68 R CA 1.330 57.170 56.100 -0.434 0.000 0.963 68 R CB -0.371 29.418 30.300 -0.852 0.000 0.858 68 R HN 0.119 nan 8.270 nan 0.000 0.435 69 S N 0.550 116.208 115.700 -0.069 0.000 2.368 69 S HA -0.136 4.336 4.470 0.002 0.000 0.225 69 S C 1.920 176.546 174.600 0.044 0.000 1.030 69 S CA 1.188 59.390 58.200 0.003 0.000 0.999 69 S CB 0.030 63.216 63.200 -0.023 0.000 0.844 69 S HN 0.245 nan 8.310 nan 0.000 0.459 70 R N 0.148 120.668 120.500 0.033 0.000 2.081 70 R HA 0.078 4.419 4.340 0.002 0.000 0.235 70 R C 2.286 178.640 176.300 0.090 0.000 1.131 70 R CA 1.686 57.816 56.100 0.050 0.000 0.960 70 R CB -0.428 29.892 30.300 0.035 0.000 0.856 70 R HN 0.448 nan 8.270 nan 0.000 0.436 71 I N 0.639 121.292 120.570 0.137 0.000 2.226 71 I HA -0.291 3.881 4.170 0.002 0.000 0.245 71 I C 2.139 178.378 176.117 0.203 0.000 1.100 71 I CA 1.276 62.696 61.300 0.200 0.000 1.374 71 I CB -0.151 38.048 38.000 0.331 0.000 1.057 71 I HN 0.156 nan 8.210 nan 0.000 0.413 72 L N -0.127 121.237 121.223 0.235 0.000 2.046 72 L HA -0.208 4.133 4.340 0.002 0.000 0.208 72 L C 2.739 179.695 176.870 0.142 0.000 1.077 72 L CA 1.376 56.342 54.840 0.210 0.000 0.747 72 L CB -0.557 41.633 42.059 0.220 0.000 0.896 72 L HN 0.165 nan 8.230 nan 0.000 0.432 73 R N -0.191 120.372 120.500 0.106 0.000 2.091 73 R HA -0.213 4.129 4.340 0.002 0.000 0.238 73 R C 2.406 178.742 176.300 0.059 0.000 1.136 73 R CA 1.493 57.636 56.100 0.072 0.000 0.959 73 R CB -0.248 30.085 30.300 0.054 0.000 0.856 73 R HN 0.102 nan 8.270 nan 0.000 0.437 74 R N 0.709 121.248 120.500 0.065 0.000 2.096 74 R HA -0.054 4.288 4.340 0.002 0.000 0.235 74 R C 1.823 178.146 176.300 0.038 0.000 1.127 74 R CA 1.814 57.944 56.100 0.050 0.000 0.968 74 R CB -0.578 29.757 30.300 0.058 0.000 0.861 74 R HN 0.251 nan 8.270 nan 0.000 0.440 75 A N -0.321 122.532 122.820 0.055 0.000 1.969 75 A HA -0.047 4.274 4.320 0.002 0.000 0.218 75 A C 2.233 179.794 177.584 -0.038 0.000 1.169 75 A CA 1.526 53.563 52.037 0.001 0.000 0.635 75 A CB -0.443 18.586 19.000 0.048 0.000 0.810 75 A HN 0.195 nan 8.150 nan 0.000 0.445 76 V N 0.398 120.317 119.914 0.009 0.000 2.548 76 V HA -0.190 3.931 4.120 0.002 0.000 0.249 76 V C 2.058 178.149 176.094 -0.003 0.000 1.055 76 V CA 2.067 64.370 62.300 0.005 0.000 1.065 76 V CB -0.662 31.183 31.823 0.037 0.000 0.681 76 V HN 0.486 nan 8.190 nan 0.000 0.462 77 D N 0.341 120.743 120.400 0.003 0.000 2.084 77 D HA -0.111 4.530 4.640 0.002 0.000 0.196 77 D C 2.103 178.396 176.300 -0.012 0.000 0.985 77 D CA 1.383 55.384 54.000 0.002 0.000 0.826 77 D CB -0.230 40.575 40.800 0.009 0.000 0.978 77 D HN 0.373 nan 8.370 nan 0.000 0.456 78 I N 0.838 121.394 120.570 -0.024 0.000 2.118 78 I HA -0.297 3.874 4.170 0.002 0.000 0.241 78 I C 2.558 178.644 176.117 -0.053 0.000 1.070 78 I CA 0.889 62.165 61.300 -0.039 0.000 1.327 78 I CB -0.341 37.627 38.000 -0.054 0.000 1.034 78 I HN -0.021 nan 8.210 nan 0.000 0.405 79 L N 0.102 121.282 121.223 -0.072 0.000 2.013 79 L HA -0.257 4.085 4.340 0.002 0.000 0.212 79 L C 2.887 179.734 176.870 -0.038 0.000 1.073 79 L CA 1.314 56.110 54.840 -0.072 0.000 0.753 79 L CB -0.604 41.403 42.059 -0.087 0.000 0.890 79 L HN 0.233 nan 8.230 nan 0.000 0.432 80 R N -0.155 120.333 120.500 -0.021 0.000 2.103 80 R HA -0.215 4.126 4.340 0.002 0.000 0.242 80 R C 2.039 178.333 176.300 -0.009 0.000 1.142 80 R CA 1.494 57.590 56.100 -0.007 0.000 0.960 80 R CB -0.872 29.429 30.300 0.002 0.000 0.858 80 R HN 0.514 nan 8.270 nan 0.000 0.439 81 E N 0.932 121.124 120.200 -0.013 0.000 2.072 81 E HA -0.111 4.241 4.350 0.002 0.000 0.191 81 E C 0.846 177.437 176.600 -0.016 0.000 0.985 81 E CA 0.725 57.118 56.400 -0.011 0.000 0.801 81 E CB 0.214 29.908 29.700 -0.011 0.000 0.750 81 E HN 0.282 nan 8.360 nan 0.000 0.452 82 R N 0.713 121.197 120.500 -0.027 0.000 2.568 82 R HA 0.141 4.483 4.340 0.002 0.000 0.288 82 R C 1.428 177.710 176.300 -0.030 0.000 1.077 82 R CA -0.153 55.928 56.100 -0.030 0.000 1.102 82 R CB -0.415 29.859 30.300 -0.042 0.000 1.278 82 R HN 0.221 nan 8.270 nan 0.000 0.560 83 N N 1.946 120.633 118.700 -0.022 0.000 2.069 83 N HA -0.235 4.506 4.740 0.002 0.000 0.196 83 N C 0.383 175.883 175.510 -0.016 0.000 1.024 83 N CA 2.088 55.128 53.050 -0.017 0.000 0.869 83 N CB 0.218 38.702 38.487 -0.004 0.000 1.035 83 N HN 0.194 nan 8.380 nan 0.000 0.434 84 D N 0.191 120.584 120.400 -0.012 0.000 2.144 84 D HA -0.107 4.534 4.640 0.002 0.000 0.207 84 D C 1.836 178.129 176.300 -0.013 0.000 0.970 84 D CA 0.568 54.562 54.000 -0.009 0.000 0.853 84 D CB -0.562 40.236 40.800 -0.003 0.000 1.007 84 D HN 0.434 nan 8.370 nan 0.000 0.469 85 E N 0.907 121.098 120.200 -0.015 0.000 2.130 85 E HA -0.206 4.146 4.350 0.002 0.000 0.196 85 E C 2.115 178.695 176.600 -0.034 0.000 0.998 85 E CA 0.865 57.253 56.400 -0.020 0.000 0.806 85 E CB -0.245 29.442 29.700 -0.022 0.000 0.738 85 E HN 0.257 nan 8.360 nan 0.000 0.459 86 L N 0.461 121.660 121.223 -0.040 0.000 2.027 86 L HA -0.136 4.206 4.340 0.002 0.000 0.206 86 L C 2.827 179.672 176.870 -0.042 0.000 1.074 86 L CA 1.186 55.996 54.840 -0.050 0.000 0.745 86 L CB -0.487 41.538 42.059 -0.058 0.000 0.898 86 L HN 0.203 nan 8.230 nan 0.000 0.433 87 A N -0.120 122.681 122.820 -0.032 0.000 1.972 87 A HA -0.150 4.172 4.320 0.002 0.000 0.219 87 A C 2.510 180.079 177.584 -0.025 0.000 1.169 87 A CA 1.594 53.613 52.037 -0.030 0.000 0.635 87 A CB -0.629 18.358 19.000 -0.022 0.000 0.810 87 A HN 0.411 nan 8.150 nan 0.000 0.446 88 A N -0.545 122.265 122.820 -0.016 0.000 1.902 88 A HA -0.037 4.285 4.320 0.002 0.000 0.217 88 A C 2.102 179.689 177.584 0.004 0.000 1.181 88 A CA 1.752 53.789 52.037 0.000 0.000 0.623 88 A CB -0.559 18.448 19.000 0.012 0.000 0.818 88 A HN 0.537 nan 8.150 nan 0.000 0.443 89 L N -0.292 120.918 121.223 -0.021 0.000 2.027 89 L HA -0.086 4.255 4.340 0.002 0.000 0.206 89 L C 2.260 179.119 176.870 -0.019 0.000 1.074 89 L CA 2.560 57.377 54.840 -0.038 0.000 0.745 89 L CB -0.808 41.193 42.059 -0.098 0.000 0.898 89 L HN 0.463 nan 8.230 nan 0.000 0.433 90 E N -1.203 118.979 120.200 -0.030 0.000 2.160 90 E HA -0.193 4.158 4.350 0.002 0.000 0.195 90 E C 2.060 178.636 176.600 -0.039 0.000 0.991 90 E CA 1.748 58.129 56.400 -0.032 0.000 0.810 90 E CB -0.220 29.450 29.700 -0.050 0.000 0.742 90 E HN 0.471 nan 8.360 nan 0.000 0.466 91 T N 0.210 114.741 114.554 -0.037 0.000 2.737 91 T HA -0.079 4.272 4.350 0.002 0.000 0.265 91 T C 1.755 176.443 174.700 -0.020 0.000 1.038 91 T CA 1.156 63.229 62.100 -0.044 0.000 1.144 91 T CB -0.221 68.624 68.868 -0.039 0.000 0.866 91 T HN 0.128 nan 8.240 nan 0.000 0.434 92 L N 0.810 122.049 121.223 0.025 0.000 2.079 92 L HA -0.140 4.201 4.340 0.002 0.000 0.210 92 L C 2.520 179.424 176.870 0.058 0.000 1.081 92 L CA 1.306 56.186 54.840 0.066 0.000 0.752 92 L CB -0.459 41.694 42.059 0.157 0.000 0.896 92 L HN 0.208 nan 8.230 nan 0.000 0.433 93 D N -0.783 119.646 120.400 0.047 0.000 2.149 93 D HA -0.141 4.500 4.640 0.002 0.000 0.201 93 D C 2.038 178.344 176.300 0.009 0.000 0.972 93 D CA 1.723 55.752 54.000 0.048 0.000 0.835 93 D CB 0.249 41.079 40.800 0.050 0.000 0.966 93 D HN 0.338 nan 8.370 nan 0.000 0.476 94 T N -4.636 109.901 114.554 -0.029 0.000 3.003 94 T HA 0.357 4.709 4.350 0.002 0.000 0.261 94 T C 1.595 176.212 174.700 -0.138 0.000 1.003 94 T CA 0.761 62.821 62.100 -0.068 0.000 0.917 94 T CB 0.672 69.504 68.868 -0.060 0.000 1.084 94 T HN 0.129 nan 8.240 nan 0.000 0.522 95 G N 2.047 110.766 108.800 -0.135 0.000 2.189 95 G HA2 -0.267 3.695 3.960 0.002 0.000 0.267 95 G HA3 -0.267 3.695 3.960 0.002 0.000 0.267 95 G C 0.073 174.836 174.900 -0.229 0.000 0.975 95 G CA 0.338 45.320 45.100 -0.196 0.000 0.644 95 G HN 0.664 nan 8.290 nan 0.000 0.537 96 K N 1.195 121.469 120.400 -0.209 0.000 2.326 96 K HA 0.307 4.628 4.320 0.002 0.000 0.275 96 K C -2.340 174.146 176.600 -0.189 0.000 1.018 96 K CA -1.465 54.677 56.287 -0.243 0.000 0.962 96 K CB 0.662 33.004 32.500 -0.263 0.000 0.953 96 K HN 0.072 nan 8.250 nan 0.000 0.475 97 P HA -0.062 nan 4.420 nan 0.000 0.266 97 P C 0.696 177.934 177.300 -0.104 0.000 1.195 97 P CA -0.151 62.870 63.100 -0.132 0.000 0.768 97 P CB 0.448 32.062 31.700 -0.142 0.000 0.838 98 L N 4.237 125.423 121.223 -0.060 0.000 2.043 98 L HA -0.236 4.105 4.340 0.002 0.000 0.212 98 L C 2.336 179.186 176.870 -0.034 0.000 1.075 98 L CA 2.321 57.138 54.840 -0.039 0.000 0.752 98 L CB -1.566 40.483 42.059 -0.017 0.000 0.891 98 L HN 0.462 nan 8.230 nan 0.000 0.432 99 A N -1.467 121.334 122.820 -0.032 0.000 2.032 99 A HA -0.255 4.066 4.320 0.002 0.000 0.221 99 A C 2.193 179.764 177.584 -0.022 0.000 1.165 99 A CA 2.108 54.134 52.037 -0.019 0.000 0.645 99 A CB -0.424 18.567 19.000 -0.015 0.000 0.807 99 A HN 0.618 nan 8.150 nan 0.000 0.453 100 E N -1.391 118.768 120.200 -0.069 0.000 2.079 100 E HA -0.075 4.277 4.350 0.002 0.000 0.191 100 E C 2.357 178.938 176.600 -0.031 0.000 0.961 100 E CA 1.021 57.385 56.400 -0.061 0.000 0.823 100 E CB -0.197 29.388 29.700 -0.191 0.000 0.789 100 E HN 0.786 nan 8.360 nan 0.000 0.459 101 T N 0.142 114.655 114.554 -0.068 0.000 2.720 101 T HA -0.176 4.175 4.350 0.002 0.000 0.268 101 T C 1.914 176.604 174.700 -0.016 0.000 1.037 101 T CA 0.976 63.044 62.100 -0.054 0.000 1.144 101 T CB -0.292 68.534 68.868 -0.072 0.000 0.864 101 T HN -0.005 nan 8.240 nan 0.000 0.444 102 R N 0.566 121.061 120.500 -0.009 0.000 2.152 102 R HA 0.061 4.402 4.340 0.002 0.000 0.232 102 R C 2.667 178.980 176.300 0.023 0.000 1.117 102 R CA 1.397 57.500 56.100 0.005 0.000 0.981 102 R CB -0.320 29.983 30.300 0.005 0.000 0.870 102 R HN 0.499 nan 8.270 nan 0.000 0.451 103 S N -0.981 114.741 115.700 0.037 0.000 2.512 103 S HA 0.125 4.596 4.470 0.002 0.000 0.216 103 S C 1.202 175.856 174.600 0.091 0.000 1.006 103 S CA -0.196 58.041 58.200 0.062 0.000 0.915 103 S CB 0.619 63.863 63.200 0.074 0.000 0.824 103 S HN 0.056 nan 8.310 nan 0.000 0.497 104 V N 0.261 120.233 119.914 0.097 0.000 3.889 104 V HA 0.180 4.301 4.120 0.002 0.000 0.184 104 V C 1.419 177.589 176.094 0.126 0.000 1.311 104 V CA 0.638 63.024 62.300 0.144 0.000 1.277 104 V CB -0.721 31.241 31.823 0.232 0.000 1.364 104 V HN 0.215 nan 8.190 nan 0.000 0.567 105 D N 1.172 121.630 120.400 0.097 0.000 2.126 105 D HA -0.208 4.434 4.640 0.002 0.000 0.190 105 D C 1.732 178.056 176.300 0.041 0.000 1.001 105 D CA 2.037 56.081 54.000 0.074 0.000 0.841 105 D CB -0.123 40.673 40.800 -0.007 0.000 0.949 105 D HN 0.420 nan 8.370 nan 0.000 0.446 106 I N -0.300 120.284 120.570 0.024 0.000 2.716 106 I HA -0.097 4.074 4.170 0.002 0.000 0.259 106 I C 2.143 178.285 176.117 0.043 0.000 1.172 106 I CA 0.389 61.696 61.300 0.013 0.000 1.478 106 I CB -0.107 37.885 38.000 -0.013 0.000 1.104 106 I HN -0.075 nan 8.210 nan 0.000 0.439 107 V N 0.776 120.727 119.914 0.060 0.000 2.427 107 V HA -0.249 3.872 4.120 0.002 0.000 0.248 107 V C 2.545 178.706 176.094 0.112 0.000 1.051 107 V CA 2.491 64.835 62.300 0.074 0.000 1.048 107 V CB -0.966 30.900 31.823 0.071 0.000 0.666 107 V HN 0.657 nan 8.190 nan 0.000 0.456 108 T N -3.131 111.518 114.554 0.157 0.000 3.031 108 T HA 0.094 4.445 4.350 0.002 0.000 0.254 108 T C 1.983 176.932 174.700 0.415 0.000 1.060 108 T CA 0.901 63.162 62.100 0.269 0.000 1.135 108 T CB -0.191 68.869 68.868 0.319 0.000 0.896 108 T HN 0.393 nan 8.240 nan 0.000 0.472 109 G N 1.780 110.736 108.800 0.259 0.000 2.491 109 G HA2 -0.057 3.904 3.960 0.002 0.000 0.218 109 G HA3 -0.057 3.904 3.960 0.002 0.000 0.218 109 G C 1.872 176.919 174.900 0.244 0.000 1.180 109 G CA 0.996 46.252 45.100 0.260 0.000 0.774 109 G HN 0.726 nan 8.290 nan 0.000 0.562 110 A N 0.577 123.478 122.820 0.135 0.000 1.968 110 A HA 0.034 4.356 4.320 0.002 0.000 0.217 110 A C 2.077 179.725 177.584 0.106 0.000 1.169 110 A CA 1.927 54.019 52.037 0.091 0.000 0.638 110 A CB -0.354 18.669 19.000 0.039 0.000 0.812 110 A HN 0.267 nan 8.150 nan 0.000 0.446 111 D N -0.204 120.265 120.400 0.114 0.000 2.158 111 D HA -0.129 4.512 4.640 0.002 0.000 0.197 111 D C 1.961 178.290 176.300 0.049 0.000 0.995 111 D CA 1.450 55.496 54.000 0.076 0.000 0.846 111 D CB -0.222 40.619 40.800 0.068 0.000 0.941 111 D HN 0.227 nan 8.370 nan 0.000 0.456 112 V N 0.544 120.503 119.914 0.076 0.000 2.407 112 V HA -0.149 3.972 4.120 0.002 0.000 0.245 112 V C 2.352 178.544 176.094 0.164 0.000 1.041 112 V CA 0.821 63.116 62.300 -0.008 0.000 1.040 112 V CB -0.325 31.380 31.823 -0.197 0.000 0.671 112 V HN 0.148 nan 8.190 nan 0.000 0.455 113 L N 0.547 121.893 121.223 0.204 0.000 2.079 113 L HA -0.184 4.157 4.340 0.002 0.000 0.210 113 L C 2.322 179.300 176.870 0.179 0.000 1.081 113 L CA 2.356 57.327 54.840 0.219 0.000 0.752 113 L CB -0.676 41.486 42.059 0.172 0.000 0.896 113 L HN 0.476 nan 8.230 nan 0.000 0.433 114 E N -1.538 118.740 120.200 0.130 0.000 2.017 114 E HA -0.325 4.026 4.350 0.002 0.000 0.193 114 E C 2.236 178.892 176.600 0.094 0.000 0.997 114 E CA 1.598 58.056 56.400 0.098 0.000 0.804 114 E CB -0.528 29.218 29.700 0.077 0.000 0.757 114 E HN 0.571 nan 8.360 nan 0.000 0.448 115 Y N -0.002 120.247 120.300 -0.085 0.000 2.062 115 Y HA -0.348 4.204 4.550 0.003 0.000 0.276 115 Y C 1.923 177.713 175.900 -0.183 0.000 1.189 115 Y CA 2.331 60.314 58.100 -0.196 0.000 1.130 115 Y CB -0.574 37.659 38.460 -0.379 0.000 0.959 115 Y HN 0.222 nan 8.280 nan 0.000 0.499 116 Y N -0.747 119.565 120.300 0.020 0.000 2.337 116 Y HA -0.001 4.551 4.550 0.002 0.000 0.293 116 Y C 2.606 178.469 175.900 -0.062 0.000 1.123 116 Y CA 0.771 58.825 58.100 -0.078 0.000 1.201 116 Y CB -1.199 37.273 38.460 0.018 0.000 1.011 116 Y HN 0.230 nan 8.280 nan 0.000 0.545 117 A N 0.094 122.996 122.820 0.137 0.000 1.908 117 A HA -0.172 4.149 4.320 0.002 0.000 0.218 117 A C 2.565 180.161 177.584 0.020 0.000 1.181 117 A CA 1.909 53.998 52.037 0.087 0.000 0.627 117 A CB -1.436 17.621 19.000 0.095 0.000 0.818 117 A HN 0.454 nan 8.150 nan 0.000 0.445 118 G N -0.990 107.797 108.800 -0.021 0.000 2.534 118 G HA2 0.066 4.028 3.960 0.002 0.000 0.217 118 G HA3 0.066 4.028 3.960 0.002 0.000 0.217 118 G C 1.284 176.132 174.900 -0.088 0.000 1.128 118 G CA 0.748 45.814 45.100 -0.057 0.000 0.784 118 G HN 0.453 nan 8.290 nan 0.000 0.542 119 L N 0.464 121.625 121.223 -0.104 0.000 2.585 119 L HA 0.107 4.448 4.340 0.002 0.000 0.226 119 L C 2.505 179.348 176.870 -0.046 0.000 1.113 119 L CA -0.269 54.508 54.840 -0.104 0.000 0.876 119 L CB 0.239 42.204 42.059 -0.158 0.000 1.072 119 L HN 0.006 nan 8.230 nan 0.000 0.468 120 V N 0.879 120.773 119.914 -0.034 0.000 2.278 120 V HA -0.208 3.913 4.120 0.002 0.000 0.251 120 V C -0.281 175.778 176.094 -0.059 0.000 1.062 120 V CA 2.032 64.303 62.300 -0.048 0.000 1.038 120 V CB -1.656 30.126 31.823 -0.069 0.000 0.646 120 V HN 0.407 nan 8.190 nan 0.000 0.447 121 P HA 0.057 nan 4.420 nan 0.000 0.233 121 P C 1.078 178.352 177.300 -0.045 0.000 1.167 121 P CA 1.281 64.349 63.100 -0.054 0.000 0.770 121 P CB -0.045 31.626 31.700 -0.050 0.000 0.837 122 A N -0.685 122.109 122.820 -0.043 0.000 2.238 122 A HA 0.119 4.440 4.320 0.002 0.000 0.210 122 A C 0.956 178.525 177.584 -0.025 0.000 1.179 122 A CA -0.139 51.876 52.037 -0.036 0.000 0.827 122 A CB -0.892 18.081 19.000 -0.046 0.000 0.856 122 A HN 0.108 nan 8.150 nan 0.000 0.488 123 I N 1.764 122.320 120.570 -0.024 0.000 2.578 123 I HA 0.059 4.231 4.170 0.002 0.000 0.286 123 I C -0.060 176.049 176.117 -0.014 0.000 1.126 123 I CA 0.632 61.923 61.300 -0.015 0.000 1.380 123 I CB 0.055 38.045 38.000 -0.016 0.000 1.408 123 I HN 0.321 nan 8.210 nan 0.000 0.532 124 E N 4.013 124.210 120.200 -0.006 0.000 2.367 124 E HA 0.584 4.936 4.350 0.002 0.000 0.273 124 E C -0.095 176.512 176.600 0.012 0.000 0.903 124 E CA -0.865 55.535 56.400 0.001 0.000 0.764 124 E CB 2.173 31.872 29.700 -0.002 0.000 1.252 124 E HN 0.627 nan 8.360 nan 0.000 0.446 125 G N 0.727 109.545 108.800 0.029 0.000 2.568 125 G HA2 0.415 4.377 3.960 0.002 0.000 0.293 125 G HA3 0.415 4.377 3.960 0.002 0.000 0.293 125 G C -0.552 174.382 174.900 0.056 0.000 1.347 125 G CA -0.342 44.787 45.100 0.049 0.000 1.039 125 G HN 0.421 nan 8.290 nan 0.000 0.523 126 E N -1.103 119.142 120.200 0.075 0.000 2.235 126 E HA 0.474 4.825 4.350 0.002 0.000 0.265 126 E C -0.829 175.850 176.600 0.132 0.000 0.940 126 E CA -0.612 55.834 56.400 0.077 0.000 0.819 126 E CB 1.991 31.724 29.700 0.054 0.000 1.206 126 E HN 0.403 nan 8.360 nan 0.000 0.409 127 Q N 1.651 121.524 119.800 0.122 0.000 2.304 127 Q HA 0.493 4.834 4.340 0.002 0.000 0.270 127 Q C -1.942 174.142 176.000 0.139 0.000 1.035 127 Q CA -0.387 55.524 55.803 0.180 0.000 0.781 127 Q CB 0.992 29.819 28.738 0.148 0.000 1.261 127 Q HN 0.481 nan 8.270 nan 0.000 0.444 128 I N 5.796 126.469 120.570 0.171 0.000 2.468 128 I HA 0.464 4.635 4.170 0.002 0.000 0.285 128 I C -2.330 173.883 176.117 0.161 0.000 1.039 128 I CA -1.974 59.400 61.300 0.122 0.000 1.074 128 I CB 2.182 40.230 38.000 0.081 0.000 1.228 128 I HN 0.581 nan 8.210 nan 0.000 0.436 129 P HA 0.274 nan 4.420 nan 0.000 0.280 129 P C 0.143 177.503 177.300 0.101 0.000 1.244 129 P CA -0.214 62.965 63.100 0.132 0.000 0.784 129 P CB 1.560 33.298 31.700 0.064 0.000 0.913 130 L N 2.436 123.728 121.223 0.116 0.000 2.362 130 L HA 0.249 4.590 4.340 0.002 0.000 0.204 130 L C 1.307 178.211 176.870 0.057 0.000 1.060 130 L CA 0.651 55.535 54.840 0.073 0.000 0.827 130 L CB -0.194 41.904 42.059 0.065 0.000 1.027 130 L HN 0.505 nan 8.230 nan 0.000 0.474 131 R N -1.945 118.597 120.500 0.069 0.000 2.764 131 R HA 0.156 4.497 4.340 0.002 0.000 0.276 131 R C 0.262 176.599 176.300 0.061 0.000 1.021 131 R CA -0.791 55.339 56.100 0.051 0.000 0.870 131 R CB 0.805 31.130 30.300 0.042 0.000 1.293 131 R HN -0.286 nan 8.270 nan 0.000 0.469 132 E N 0.595 120.821 120.200 0.043 0.000 2.118 132 E HA -0.142 4.209 4.350 0.002 0.000 0.195 132 E C 0.892 177.531 176.600 0.065 0.000 0.992 132 E CA 2.386 58.810 56.400 0.040 0.000 0.804 132 E CB 0.091 29.807 29.700 0.026 0.000 0.741 132 E HN 0.684 nan 8.360 nan 0.000 0.458 133 T N -2.217 112.380 114.554 0.072 0.000 3.144 133 T HA 0.206 4.557 4.350 0.002 0.000 0.249 133 T C 0.437 175.210 174.700 0.121 0.000 1.089 133 T CA -0.194 61.959 62.100 0.088 0.000 0.989 133 T CB 0.408 69.314 68.868 0.063 0.000 0.992 133 T HN -0.048 nan 8.240 nan 0.000 0.540 134 S N 0.526 116.318 115.700 0.154 0.000 2.543 134 S HA 0.663 5.134 4.470 0.002 0.000 0.273 134 S C -1.598 173.160 174.600 0.263 0.000 1.152 134 S CA -1.114 57.183 58.200 0.162 0.000 0.910 134 S CB 0.862 64.107 63.200 0.076 0.000 1.105 134 S HN 0.512 nan 8.310 nan 0.000 0.465 135 F N 2.306 122.281 119.950 0.042 0.000 2.643 135 F HA 0.885 5.413 4.527 0.002 0.000 0.314 135 F C -0.849 174.982 175.800 0.052 0.000 1.096 135 F CA -1.223 56.806 58.000 0.049 0.000 0.953 135 F CB 1.209 40.248 39.000 0.064 0.000 1.345 135 F HN 0.446 nan 8.300 nan 0.000 0.468 136 V N 2.707 122.661 119.914 0.066 0.000 2.628 136 V HA 0.770 4.891 4.120 0.002 0.000 0.306 136 V C -1.673 174.505 176.094 0.140 0.000 1.045 136 V CA -0.691 61.569 62.300 -0.066 0.000 0.905 136 V CB 1.544 33.319 31.823 -0.080 0.000 0.997 136 V HN 1.043 nan 8.190 nan 0.000 0.436 137 Y N 2.202 122.485 120.300 -0.029 0.000 2.536 137 Y HA 0.903 5.454 4.550 0.002 0.000 0.347 137 Y C -0.121 175.779 175.900 -0.001 0.000 1.000 137 Y CA -0.375 57.751 58.100 0.043 0.000 1.051 137 Y CB 1.669 40.192 38.460 0.104 0.000 1.259 137 Y HN 0.878 nan 8.280 nan 0.000 0.468 138 T N 0.469 115.111 114.554 0.147 0.000 2.918 138 T HA 0.730 5.081 4.350 0.002 0.000 0.286 138 T C -0.762 174.027 174.700 0.149 0.000 1.026 138 T CA -1.039 61.094 62.100 0.055 0.000 1.031 138 T CB 1.696 70.578 68.868 0.023 0.000 1.046 138 T HN 0.864 nan 8.240 nan 0.000 0.479 139 R N 0.817 121.368 120.500 0.086 0.000 2.670 139 R HA 0.531 4.872 4.340 0.002 0.000 0.289 139 R C -0.335 175.987 176.300 0.036 0.000 0.965 139 R CA -0.911 55.243 56.100 0.090 0.000 0.899 139 R CB 1.976 32.334 30.300 0.098 0.000 1.173 139 R HN 0.552 nan 8.270 nan 0.000 0.456 140 R N 2.145 122.661 120.500 0.026 0.000 2.239 140 R HA 0.181 4.523 4.340 0.002 0.000 0.332 140 R C -0.589 175.718 176.300 0.012 0.000 0.988 140 R CA -0.332 55.773 56.100 0.009 0.000 0.859 140 R CB 1.283 31.582 30.300 -0.001 0.000 1.148 140 R HN 0.530 nan 8.270 nan 0.000 0.482 141 E N 3.565 123.774 120.200 0.014 0.000 2.248 141 E HA 0.299 4.650 4.350 0.002 0.000 0.272 141 E C -2.324 174.295 176.600 0.031 0.000 1.008 141 E CA -2.215 54.197 56.400 0.019 0.000 0.856 141 E CB 1.263 30.974 29.700 0.019 0.000 1.120 141 E HN 0.206 nan 8.360 nan 0.000 0.397 142 P HA -0.008 nan 4.420 nan 0.000 0.269 142 P C 0.217 177.559 177.300 0.070 0.000 1.215 142 P CA 0.112 63.251 63.100 0.065 0.000 0.780 142 P CB 0.612 32.353 31.700 0.069 0.000 0.898 143 L N 0.563 121.843 121.223 0.095 0.000 2.109 143 L HA 0.091 4.433 4.340 0.002 0.000 0.207 143 L C 1.660 178.577 176.870 0.078 0.000 1.086 143 L CA 1.911 56.802 54.840 0.085 0.000 0.760 143 L CB -0.813 41.312 42.059 0.110 0.000 0.910 143 L HN 0.785 nan 8.230 nan 0.000 0.437 144 G N -1.202 107.652 108.800 0.091 0.000 2.214 144 G HA2 -0.179 3.782 3.960 0.002 0.000 0.200 144 G HA3 -0.179 3.782 3.960 0.002 0.000 0.200 144 G C -0.651 174.298 174.900 0.081 0.000 1.126 144 G CA -0.332 44.815 45.100 0.078 0.000 1.284 144 G HN -0.147 nan 8.290 nan 0.000 0.493 145 V N 2.259 122.209 119.914 0.061 0.000 2.498 145 V HA 0.584 4.705 4.120 0.002 0.000 0.279 145 V C 1.059 177.196 176.094 0.070 0.000 1.048 145 V CA 0.152 62.481 62.300 0.049 0.000 0.967 145 V CB 0.613 32.441 31.823 0.008 0.000 0.988 145 V HN 1.558 nan 8.190 nan 0.000 0.473 146 V N 1.800 121.770 119.914 0.092 0.000 3.113 146 V HA 1.079 5.200 4.120 0.002 0.000 0.316 146 V C -0.166 175.997 176.094 0.114 0.000 1.125 146 V CA -0.808 61.570 62.300 0.130 0.000 1.026 146 V CB 1.995 33.956 31.823 0.229 0.000 1.080 146 V HN 1.175 nan 8.190 nan 0.000 0.444 147 A N 0.675 123.575 122.820 0.134 0.000 2.422 147 A HA 0.966 5.287 4.320 0.002 0.000 0.302 147 A C -0.103 177.579 177.584 0.163 0.000 1.041 147 A CA -0.120 51.986 52.037 0.115 0.000 0.708 147 A CB 1.484 20.524 19.000 0.067 0.000 1.257 147 A HN 1.967 nan 8.150 nan 0.000 0.414 148 G N 0.319 109.232 108.800 0.188 0.000 2.448 148 G HA2 0.641 4.602 3.960 0.002 0.000 0.324 148 G HA3 0.641 4.602 3.960 0.002 0.000 0.324 148 G C -1.021 173.822 174.900 -0.095 0.000 1.203 148 G CA -0.530 44.711 45.100 0.234 0.000 0.954 148 G HN 0.667 nan 8.290 nan 0.000 0.480 149 I N 1.373 121.864 120.570 -0.132 0.000 2.500 149 I HA 0.416 4.587 4.170 0.002 0.000 0.286 149 I C 0.561 176.469 176.117 -0.347 0.000 1.063 149 I CA -0.662 60.459 61.300 -0.298 0.000 1.062 149 I CB 2.199 40.205 38.000 0.011 0.000 1.223 149 I HN 0.626 nan 8.210 nan 0.000 0.435 150 G N 3.771 112.283 108.800 -0.480 0.000 2.491 150 G HA2 0.792 4.754 3.960 0.002 0.000 0.327 150 G HA3 0.792 4.754 3.960 0.002 0.000 0.327 150 G C -0.543 174.229 174.900 -0.214 0.000 1.189 150 G CA -0.402 44.595 45.100 -0.172 0.000 0.956 150 G HN 0.686 nan 8.290 nan 0.000 0.491 151 A N -0.247 122.459 122.820 -0.190 0.000 2.247 151 A HA 0.676 4.997 4.320 0.002 0.000 0.313 151 A C 0.626 178.157 177.584 -0.089 0.000 1.109 151 A CA -0.605 51.260 52.037 -0.287 0.000 0.890 151 A CB 0.566 19.289 19.000 -0.463 0.000 1.239 151 A HN 1.100 nan 8.150 nan 0.000 0.506 152 W N 0.031 121.342 121.300 0.018 0.000 3.127 152 W HA 0.092 4.753 4.660 0.002 0.000 0.344 152 W C 0.741 177.268 176.519 0.013 0.000 1.151 152 W CA 0.465 57.819 57.345 0.014 0.000 1.765 152 W CB -0.281 29.172 29.460 -0.013 0.000 1.085 152 W HN 0.829 nan 8.180 nan 0.000 0.596 153 N N 1.309 120.009 118.700 -0.000 0.000 2.333 153 N HA -0.153 4.588 4.740 0.002 0.000 0.178 153 N C -0.334 175.205 175.510 0.048 0.000 1.018 153 N CA 0.748 53.853 53.050 0.091 0.000 0.882 153 N CB -0.915 37.529 38.487 -0.071 0.000 0.984 153 N HN 0.223 nan 8.380 nan 0.000 0.434 154 Y N 0.017 120.279 120.300 -0.063 0.000 2.535 154 Y HA 0.403 4.955 4.550 0.002 0.000 0.351 154 Y C -1.841 174.015 175.900 -0.074 0.000 1.050 154 Y CA -1.824 56.219 58.100 -0.094 0.000 1.168 154 Y CB 2.067 40.414 38.460 -0.189 0.000 1.116 154 Y HN -0.016 nan 8.280 nan 0.000 0.654 155 P HA -0.211 nan 4.420 nan 0.000 0.214 155 P C 1.863 179.210 177.300 0.078 0.000 1.163 155 P CA 1.169 64.335 63.100 0.111 0.000 0.883 155 P CB 0.533 32.306 31.700 0.121 0.000 0.788 156 V N -0.519 119.407 119.914 0.020 0.000 2.453 156 V HA -0.230 3.892 4.120 0.002 0.000 0.247 156 V C 2.600 178.651 176.094 -0.072 0.000 1.048 156 V CA 1.754 64.034 62.300 -0.033 0.000 1.049 156 V CB -0.932 30.862 31.823 -0.048 0.000 0.672 156 V HN 0.111 nan 8.190 nan 0.000 0.457 157 Q N -0.202 119.551 119.800 -0.078 0.000 1.975 157 Q HA -0.243 4.099 4.340 0.002 0.000 0.205 157 Q C 2.232 178.054 176.000 -0.297 0.000 0.990 157 Q CA 2.884 58.562 55.803 -0.209 0.000 0.845 157 Q CB -0.309 28.270 28.738 -0.266 0.000 0.913 157 Q HN 0.680 nan 8.270 nan 0.000 0.420 158 I N 0.894 121.328 120.570 -0.227 0.000 2.194 158 I HA -0.314 3.857 4.170 0.002 0.000 0.246 158 I C 2.500 178.631 176.117 0.023 0.000 1.093 158 I CA 1.066 62.317 61.300 -0.081 0.000 1.355 158 I CB -0.527 37.471 38.000 -0.004 0.000 1.046 158 I HN 0.291 nan 8.210 nan 0.000 0.413 159 A N 0.674 123.437 122.820 -0.095 0.000 1.986 159 A HA -0.189 4.132 4.320 0.002 0.000 0.220 159 A C 2.286 179.719 177.584 -0.251 0.000 1.171 159 A CA 1.645 53.377 52.037 -0.509 0.000 0.640 159 A CB -0.700 17.946 19.000 -0.590 0.000 0.811 159 A HN 0.419 nan 8.150 nan 0.000 0.451 160 L N -2.881 118.306 121.223 -0.060 0.000 2.102 160 L HA -0.096 4.245 4.340 0.002 0.000 0.202 160 L C 2.438 179.480 176.870 0.286 0.000 1.076 160 L CA 0.617 55.510 54.840 0.089 0.000 0.761 160 L CB -0.413 41.713 42.059 0.111 0.000 0.921 160 L HN 0.528 nan 8.230 nan 0.000 0.444 161 W N 0.927 122.249 121.300 0.037 0.000 2.364 161 W HA -0.138 4.523 4.660 0.001 0.000 0.281 161 W C 2.410 178.983 176.519 0.091 0.000 1.219 161 W CA 0.782 58.180 57.345 0.089 0.000 1.220 161 W CB -0.416 29.090 29.460 0.077 0.000 1.127 161 W HN 0.106 nan 8.180 nan 0.000 0.556 162 K N -0.515 120.055 120.400 0.284 0.000 2.099 162 K HA -0.025 4.296 4.320 0.002 0.000 0.203 162 K C 2.150 178.791 176.600 0.067 0.000 1.047 162 K CA 1.540 57.960 56.287 0.222 0.000 0.963 162 K CB -0.493 32.190 32.500 0.303 0.000 0.759 162 K HN 0.041 nan 8.250 nan 0.000 0.451 163 S N 0.908 116.631 115.700 0.039 0.000 2.470 163 S HA 0.098 4.570 4.470 0.002 0.000 0.225 163 S C 2.238 176.761 174.600 -0.128 0.000 1.006 163 S CA 0.468 58.643 58.200 -0.041 0.000 0.934 163 S CB 0.083 63.266 63.200 -0.028 0.000 0.778 163 S HN 0.233 nan 8.310 nan 0.000 0.517 164 A N 3.919 126.722 122.820 -0.028 0.000 1.841 164 A HA 0.010 4.331 4.320 0.002 0.000 0.216 164 A C 0.456 177.924 177.584 -0.193 0.000 1.199 164 A CA 1.720 53.764 52.037 0.013 0.000 0.621 164 A CB -1.863 17.262 19.000 0.209 0.000 0.835 164 A HN 0.579 nan 8.150 nan 0.000 0.445 165 P HA -0.169 nan 4.420 nan 0.000 0.215 165 P C 1.614 178.493 177.300 -0.701 0.000 1.153 165 P CA 2.122 64.744 63.100 -0.796 0.000 0.853 165 P CB -0.229 30.999 31.700 -0.786 0.000 0.788 166 A N -0.385 121.903 122.820 -0.887 0.000 1.877 166 A HA -0.147 4.174 4.320 0.002 0.000 0.216 166 A C 2.266 179.717 177.584 -0.221 0.000 1.186 166 A CA 1.534 53.125 52.037 -0.743 0.000 0.620 166 A CB -1.538 17.139 19.000 -0.539 0.000 0.822 166 A HN 0.084 nan 8.150 nan 0.000 0.443 167 L N -0.456 120.684 121.223 -0.138 0.000 2.072 167 L HA -0.039 4.303 4.340 0.002 0.000 0.205 167 L C 2.993 180.024 176.870 0.270 0.000 1.079 167 L CA 1.760 56.664 54.840 0.105 0.000 0.752 167 L CB -0.874 41.118 42.059 -0.111 0.000 0.906 167 L HN 0.377 nan 8.230 nan 0.000 0.436 168 A N -0.483 122.376 122.820 0.066 0.000 1.940 168 A HA -0.173 4.148 4.320 0.002 0.000 0.219 168 A C 2.292 179.861 177.584 -0.025 0.000 1.176 168 A CA 1.745 53.798 52.037 0.028 0.000 0.631 168 A CB -0.900 18.094 19.000 -0.009 0.000 0.814 168 A HN 0.369 nan 8.150 nan 0.000 0.446 169 A N -1.820 120.971 122.820 -0.048 0.000 2.235 169 A HA 0.399 4.721 4.320 0.002 0.000 0.208 169 A C 1.722 179.316 177.584 0.017 0.000 1.172 169 A CA 1.210 53.240 52.037 -0.012 0.000 0.786 169 A CB -1.077 17.941 19.000 0.030 0.000 0.804 169 A HN 1.977 nan 8.150 nan 0.000 0.479 170 G N -0.740 108.090 108.800 0.051 0.000 2.132 170 G HA2 -0.214 3.747 3.960 0.002 0.000 0.234 170 G HA3 -0.214 3.747 3.960 0.002 0.000 0.234 170 G C -0.174 174.866 174.900 0.233 0.000 0.989 170 G CA 0.042 45.172 45.100 0.050 0.000 0.676 170 G HN 0.500 nan 8.290 nan 0.000 0.522 171 N N 0.461 119.299 118.700 0.231 0.000 2.508 171 N HA 0.622 5.363 4.740 0.002 0.000 0.285 171 N C 0.392 175.996 175.510 0.158 0.000 1.144 171 N CA 0.445 53.602 53.050 0.178 0.000 0.978 171 N CB 1.524 40.085 38.487 0.123 0.000 1.180 171 N HN 0.617 nan 8.380 nan 0.000 0.484 172 A N 1.304 124.182 122.820 0.097 0.000 2.331 172 A HA 0.455 4.776 4.320 0.002 0.000 0.283 172 A C -0.030 177.570 177.584 0.026 0.000 1.142 172 A CA -0.427 51.620 52.037 0.015 0.000 0.812 172 A CB 0.285 19.292 19.000 0.011 0.000 1.074 172 A HN 0.734 nan 8.150 nan 0.000 0.497 173 M N 3.750 123.360 119.600 0.017 0.000 2.243 173 M HA 0.566 5.047 4.480 0.002 0.000 0.324 173 M C -1.611 174.651 176.300 -0.063 0.000 1.031 173 M CA -0.537 54.792 55.300 0.048 0.000 0.949 173 M CB 0.755 33.444 32.600 0.149 0.000 1.615 173 M HN 0.584 nan 8.290 nan 0.000 0.430 174 I N 5.247 125.785 120.570 -0.053 0.000 2.312 174 I HA 0.288 4.460 4.170 0.002 0.000 0.291 174 I C -1.008 175.082 176.117 -0.046 0.000 1.031 174 I CA -0.316 60.917 61.300 -0.112 0.000 1.293 174 I CB 0.631 38.588 38.000 -0.071 0.000 1.403 174 I HN 0.580 nan 8.210 nan 0.000 0.484 175 F N 7.393 127.155 119.950 -0.313 0.000 2.443 175 F HA 0.444 4.972 4.527 0.002 0.000 0.335 175 F C -0.048 175.694 175.800 -0.097 0.000 1.104 175 F CA -0.667 57.231 58.000 -0.170 0.000 1.013 175 F CB 1.202 40.092 39.000 -0.184 0.000 1.136 175 F HN 0.302 nan 8.300 nan 0.000 0.470 176 K N 8.555 128.536 120.400 -0.698 0.000 2.464 176 K HA 0.388 4.709 4.320 0.002 0.000 0.252 176 K C -2.909 173.305 176.600 -0.645 0.000 1.000 176 K CA -2.120 53.894 56.287 -0.455 0.000 0.951 176 K CB 1.258 33.599 32.500 -0.265 0.000 1.183 176 K HN 0.311 nan 8.250 nan 0.000 0.445 177 P HA -0.040 nan 4.420 nan 0.000 0.272 177 P C -0.136 177.135 177.300 -0.047 0.000 1.230 177 P CA -0.219 62.847 63.100 -0.056 0.000 0.788 177 P CB 0.860 32.681 31.700 0.203 0.000 0.949 178 S N 0.235 115.950 115.700 0.025 0.000 2.558 178 S HA -0.091 4.380 4.470 0.002 0.000 0.287 178 S C 1.477 176.105 174.600 0.047 0.000 1.321 178 S CA -0.025 58.213 58.200 0.063 0.000 1.048 178 S CB -0.278 63.057 63.200 0.224 0.000 0.844 178 S HN 0.551 nan 8.310 nan 0.000 0.512 179 E N 2.470 122.628 120.200 -0.070 0.000 2.160 179 E HA -0.124 4.228 4.350 0.002 0.000 0.195 179 E C 1.689 178.324 176.600 0.059 0.000 0.991 179 E CA 1.407 57.676 56.400 -0.218 0.000 0.810 179 E CB -0.053 29.370 29.700 -0.463 0.000 0.742 179 E HN 0.661 nan 8.360 nan 0.000 0.466 180 V N 0.299 120.245 119.914 0.054 0.000 2.343 180 V HA -0.166 3.955 4.120 0.002 0.000 0.247 180 V C 1.582 177.740 176.094 0.108 0.000 1.051 180 V CA 1.897 64.216 62.300 0.032 0.000 1.036 180 V CB -0.356 31.373 31.823 -0.157 0.000 0.654 180 V HN 0.439 nan 8.190 nan 0.000 0.451 181 T N -2.356 112.297 114.554 0.164 0.000 3.317 181 T HA 0.361 4.712 4.350 0.002 0.000 0.361 181 T C -1.906 172.904 174.700 0.185 0.000 1.499 181 T CA -1.265 60.934 62.100 0.165 0.000 1.529 181 T CB 1.549 70.518 68.868 0.169 0.000 0.997 181 T HN 0.288 nan 8.240 nan 0.000 0.624 182 P HA 0.288 nan 4.420 nan 0.000 0.261 182 P C 1.215 178.615 177.300 0.167 0.000 1.268 182 P CA -0.263 62.970 63.100 0.221 0.000 0.833 182 P CB 0.378 32.271 31.700 0.322 0.000 1.231 183 L N 0.313 121.606 121.223 0.116 0.000 2.034 183 L HA -0.051 4.290 4.340 0.002 0.000 0.203 183 L C 2.581 179.475 176.870 0.039 0.000 1.074 183 L CA 2.269 57.144 54.840 0.057 0.000 0.748 183 L CB -1.744 40.312 42.059 -0.005 0.000 0.905 183 L HN 0.018 nan 8.230 nan 0.000 0.439 184 T N -2.409 112.162 114.554 0.028 0.000 3.051 184 T HA -0.019 4.332 4.350 0.002 0.000 0.269 184 T C 1.719 176.432 174.700 0.021 0.000 1.127 184 T CA 0.801 62.902 62.100 0.001 0.000 1.107 184 T CB -0.160 68.700 68.868 -0.012 0.000 0.898 184 T HN 0.300 nan 8.240 nan 0.000 0.517 185 A N 1.378 124.256 122.820 0.095 0.000 1.970 185 A HA 0.343 4.664 4.320 0.002 0.000 0.216 185 A C 2.313 179.980 177.584 0.137 0.000 1.170 185 A CA 0.531 52.660 52.037 0.153 0.000 0.645 185 A CB -0.635 18.556 19.000 0.319 0.000 0.816 185 A HN 0.516 nan 8.150 nan 0.000 0.447 186 L N -0.663 120.624 121.223 0.106 0.000 2.083 186 L HA -0.177 4.164 4.340 0.002 0.000 0.209 186 L C 2.443 179.302 176.870 -0.019 0.000 1.083 186 L CA 1.084 55.957 54.840 0.055 0.000 0.752 186 L CB -0.371 41.791 42.059 0.171 0.000 0.899 186 L HN 0.170 nan 8.230 nan 0.000 0.433 187 K N -0.088 120.306 120.400 -0.011 0.000 2.057 187 K HA -0.126 4.195 4.320 0.002 0.000 0.206 187 K C 2.005 178.519 176.600 -0.143 0.000 1.050 187 K CA 1.059 57.310 56.287 -0.059 0.000 0.935 187 K CB -0.755 31.705 32.500 -0.066 0.000 0.715 187 K HN 0.069 nan 8.250 nan 0.000 0.439 188 L N 1.199 122.323 121.223 -0.166 0.000 2.043 188 L HA -0.153 4.189 4.340 0.002 0.000 0.212 188 L C 2.126 178.805 176.870 -0.319 0.000 1.075 188 L CA 1.996 56.635 54.840 -0.336 0.000 0.752 188 L CB -1.043 40.815 42.059 -0.335 0.000 0.891 188 L HN 0.188 nan 8.230 nan 0.000 0.432 189 A N -1.182 121.574 122.820 -0.107 0.000 1.902 189 A HA -0.245 4.076 4.320 0.002 0.000 0.217 189 A C 2.167 179.483 177.584 -0.447 0.000 1.181 189 A CA 1.780 53.708 52.037 -0.181 0.000 0.623 189 A CB -0.578 18.088 19.000 -0.556 0.000 0.818 189 A HN 0.561 nan 8.150 nan 0.000 0.443 190 E N -0.233 119.721 120.200 -0.409 0.000 2.021 190 E HA -0.218 4.133 4.350 0.002 0.000 0.200 190 E C 1.919 178.465 176.600 -0.090 0.000 1.015 190 E CA 1.592 57.892 56.400 -0.167 0.000 0.824 190 E CB -0.402 29.278 29.700 -0.034 0.000 0.762 190 E HN 0.677 nan 8.360 nan 0.000 0.454 191 I N 0.290 120.773 120.570 -0.145 0.000 2.113 191 I HA -0.355 3.816 4.170 0.002 0.000 0.242 191 I C 2.371 178.415 176.117 -0.122 0.000 1.057 191 I CA 1.484 62.684 61.300 -0.165 0.000 1.314 191 I CB -0.542 37.292 38.000 -0.277 0.000 1.022 191 I HN 0.188 nan 8.210 nan 0.000 0.408 192 Y N 1.005 121.199 120.300 -0.176 0.000 2.165 192 Y HA -0.256 4.295 4.550 0.002 0.000 0.286 192 Y C 2.958 178.792 175.900 -0.111 0.000 1.155 192 Y CA 1.764 59.749 58.100 -0.192 0.000 1.164 192 Y CB -1.293 36.978 38.460 -0.315 0.000 0.978 192 Y HN 0.160 nan 8.280 nan 0.000 0.513 193 T N -0.687 113.926 114.554 0.098 0.000 2.777 193 T HA -0.195 4.156 4.350 0.002 0.000 0.266 193 T C 1.849 176.598 174.700 0.081 0.000 1.040 193 T CA 1.467 63.631 62.100 0.106 0.000 1.141 193 T CB -0.179 68.804 68.868 0.193 0.000 0.868 193 T HN 0.406 nan 8.240 nan 0.000 0.444 194 E N 0.506 120.741 120.200 0.059 0.000 2.204 194 E HA -0.083 4.268 4.350 0.002 0.000 0.195 194 E C 2.191 178.818 176.600 0.045 0.000 0.990 194 E CA 0.809 57.236 56.400 0.045 0.000 0.821 194 E CB -0.117 29.596 29.700 0.022 0.000 0.750 194 E HN 0.475 nan 8.360 nan 0.000 0.477 195 A N -0.117 122.733 122.820 0.051 0.000 2.121 195 A HA 0.064 4.385 4.320 0.002 0.000 0.218 195 A C 1.830 179.464 177.584 0.084 0.000 1.154 195 A CA 1.327 53.405 52.037 0.068 0.000 0.679 195 A CB -0.359 18.698 19.000 0.095 0.000 0.795 195 A HN 0.475 nan 8.150 nan 0.000 0.458 196 G N -2.231 106.616 108.800 0.078 0.000 2.179 196 G HA2 -0.178 3.783 3.960 0.002 0.000 0.220 196 G HA3 -0.178 3.783 3.960 0.002 0.000 0.220 196 G C 0.196 175.147 174.900 0.086 0.000 0.990 196 G CA -0.061 45.093 45.100 0.090 0.000 0.646 196 G HN 0.795 nan 8.290 nan 0.000 0.517 197 V N 2.668 122.588 119.914 0.011 0.000 2.584 197 V HA 0.244 4.365 4.120 0.002 0.000 0.303 197 V C -0.894 175.134 176.094 -0.111 0.000 1.035 197 V CA -0.088 62.091 62.300 -0.201 0.000 1.172 197 V CB 0.630 32.250 31.823 -0.339 0.000 0.896 197 V HN 0.253 nan 8.190 nan 0.000 0.486 198 P HA 0.148 nan 4.420 nan 0.000 0.272 198 P C -0.597 176.691 177.300 -0.019 0.000 1.240 198 P CA -0.542 62.560 63.100 0.004 0.000 0.791 198 P CB 0.393 32.144 31.700 0.086 0.000 0.978 199 D N 0.497 120.909 120.400 0.020 0.000 2.450 199 D HA 0.282 4.924 4.640 0.002 0.000 0.247 199 D C 1.557 177.860 176.300 0.005 0.000 1.162 199 D CA 1.594 55.607 54.000 0.021 0.000 0.879 199 D CB 0.121 40.929 40.800 0.014 0.000 1.163 199 D HN 0.669 nan 8.370 nan 0.000 0.472 200 G N 1.127 109.931 108.800 0.007 0.000 2.254 200 G HA2 -0.332 3.629 3.960 0.002 0.000 0.225 200 G HA3 -0.332 3.629 3.960 0.002 0.000 0.225 200 G C 1.285 176.167 174.900 -0.031 0.000 1.003 200 G CA 0.130 45.224 45.100 -0.009 0.000 0.622 200 G HN 0.447 nan 8.290 nan 0.000 0.507 201 V N -0.339 119.529 119.914 -0.078 0.000 2.407 201 V HA 0.190 4.311 4.120 0.002 0.000 0.248 201 V C 1.114 177.148 176.094 -0.099 0.000 1.055 201 V CA 2.167 64.357 62.300 -0.183 0.000 1.049 201 V CB -0.240 31.291 31.823 -0.485 0.000 0.662 201 V HN 0.507 nan 8.190 nan 0.000 0.455 202 F N 1.313 121.139 119.950 -0.207 0.000 2.691 202 F HA 0.501 5.030 4.527 0.002 0.000 0.371 202 F C -0.120 175.690 175.800 0.018 0.000 1.159 202 F CA -1.139 56.777 58.000 -0.140 0.000 1.174 202 F CB 0.250 39.100 39.000 -0.251 0.000 1.419 202 F HN -0.004 nan 8.300 nan 0.000 0.514 203 N N 2.857 121.417 118.700 -0.234 0.000 2.515 203 N HA 0.562 5.303 4.740 0.002 0.000 0.279 203 N C -1.102 174.204 175.510 -0.340 0.000 1.164 203 N CA -0.305 52.656 53.050 -0.148 0.000 0.982 203 N CB 2.204 40.644 38.487 -0.079 0.000 1.170 203 N HN 0.220 nan 8.380 nan 0.000 0.474 204 V N 2.049 121.881 119.914 -0.136 0.000 2.577 204 V HA 0.446 4.567 4.120 0.002 0.000 0.303 204 V C -0.387 175.709 176.094 0.004 0.000 1.042 204 V CA -0.707 61.535 62.300 -0.097 0.000 0.872 204 V CB 1.703 33.511 31.823 -0.025 0.000 0.998 204 V HN 0.395 nan 8.190 nan 0.000 0.423 205 L N 4.703 125.927 121.223 0.002 0.000 2.319 205 L HA 0.603 4.944 4.340 0.002 0.000 0.281 205 L C 0.469 177.370 176.870 0.051 0.000 1.005 205 L CA -0.358 54.506 54.840 0.039 0.000 0.828 205 L CB 2.258 44.334 42.059 0.029 0.000 1.227 205 L HN 0.808 nan 8.230 nan 0.000 0.415 206 T N -0.421 114.206 114.554 0.122 0.000 2.918 206 T HA 0.901 5.253 4.350 0.002 0.000 0.283 206 T C 0.363 175.137 174.700 0.122 0.000 1.001 206 T CA -0.000 62.210 62.100 0.183 0.000 1.041 206 T CB 2.245 71.329 68.868 0.360 0.000 1.028 206 T HN 0.924 nan 8.240 nan 0.000 0.511 207 G N 0.651 109.412 108.800 -0.066 0.000 2.302 207 G HA2 0.378 4.339 3.960 0.002 0.000 0.264 207 G HA3 0.378 4.339 3.960 0.002 0.000 0.264 207 G C -0.577 174.059 174.900 -0.441 0.000 1.335 207 G CA -0.351 44.570 45.100 -0.299 0.000 0.982 207 G HN 1.564 nan 8.290 nan 0.000 0.473 208 S N -0.576 114.909 115.700 -0.359 0.000 2.638 208 S HA 0.661 5.132 4.470 0.002 0.000 0.298 208 S C 1.528 175.980 174.600 -0.246 0.000 1.111 208 S CA 0.679 58.701 58.200 -0.296 0.000 1.027 208 S CB 1.547 64.594 63.200 -0.256 0.000 1.064 208 S HN 2.158 nan 8.310 nan 0.000 0.525 209 G N 0.820 109.523 108.800 -0.162 0.000 2.422 209 G HA2 -0.186 3.776 3.960 0.002 0.000 0.218 209 G HA3 -0.186 3.776 3.960 0.002 0.000 0.218 209 G C 1.365 176.172 174.900 -0.155 0.000 1.146 209 G CA 0.431 45.464 45.100 -0.112 0.000 0.769 209 G HN 0.767 nan 8.290 nan 0.000 0.547 210 R N 0.151 120.554 120.500 -0.163 0.000 2.189 210 R HA 0.032 4.374 4.340 0.002 0.000 0.223 210 R C 2.100 178.208 176.300 -0.319 0.000 1.092 210 R CA 1.260 57.258 56.100 -0.169 0.000 0.989 210 R CB -0.003 30.233 30.300 -0.107 0.000 0.876 210 R HN 0.491 nan 8.270 nan 0.000 0.457 211 E N -0.981 118.920 120.200 -0.498 0.000 2.098 211 E HA -0.079 4.272 4.350 0.002 0.000 0.196 211 E C 1.824 177.541 176.600 -1.471 0.000 0.955 211 E CA 0.704 56.471 56.400 -1.055 0.000 0.936 211 E CB 0.127 29.296 29.700 -0.885 0.000 1.054 211 E HN 0.149 nan 8.360 nan 0.000 0.482 212 V N -0.481 118.909 119.914 -0.873 0.000 2.453 212 V HA 0.030 4.151 4.120 0.002 0.000 0.247 212 V C 2.037 178.000 176.094 -0.219 0.000 1.048 212 V CA 1.818 63.847 62.300 -0.451 0.000 1.049 212 V CB -1.260 30.445 31.823 -0.195 0.000 0.672 212 V HN 0.359 nan 8.190 nan 0.000 0.457 213 G N -0.257 108.410 108.800 -0.222 0.000 2.480 213 G HA2 -0.384 3.578 3.960 0.002 0.000 0.216 213 G HA3 -0.384 3.578 3.960 0.002 0.000 0.216 213 G C 1.522 176.382 174.900 -0.067 0.000 1.200 213 G CA 1.284 46.320 45.100 -0.107 0.000 0.782 213 G HN 0.569 nan 8.290 nan 0.000 0.554 214 Q N -0.667 119.055 119.800 -0.130 0.000 2.077 214 Q HA -0.152 4.189 4.340 0.002 0.000 0.206 214 Q C 2.336 178.407 176.000 0.119 0.000 0.989 214 Q CA 2.171 57.950 55.803 -0.039 0.000 0.853 214 Q CB -0.283 28.407 28.738 -0.080 0.000 0.907 214 Q HN 0.671 nan 8.270 nan 0.000 0.418 215 W N -0.045 121.271 121.300 0.026 0.000 2.425 215 W HA -0.051 4.611 4.660 0.002 0.000 0.277 215 W C 1.756 178.323 176.519 0.081 0.000 1.231 215 W CA 0.484 57.858 57.345 0.047 0.000 1.248 215 W CB -0.842 28.648 29.460 0.050 0.000 1.117 215 W HN 0.261 nan 8.180 nan 0.000 0.568 216 L N 0.244 121.605 121.223 0.230 0.000 2.044 216 L HA -0.181 4.160 4.340 0.002 0.000 0.205 216 L C 2.742 179.697 176.870 0.141 0.000 1.075 216 L CA 2.114 57.049 54.840 0.158 0.000 0.747 216 L CB -1.392 40.713 42.059 0.077 0.000 0.903 216 L HN -0.004 nan 8.230 nan 0.000 0.435 217 T N -2.996 111.620 114.554 0.104 0.000 2.833 217 T HA -0.202 4.149 4.350 0.002 0.000 0.269 217 T C 1.464 176.221 174.700 0.095 0.000 1.054 217 T CA 1.347 63.495 62.100 0.080 0.000 1.135 217 T CB -0.314 68.576 68.868 0.037 0.000 0.869 217 T HN 0.416 nan 8.240 nan 0.000 0.466 218 E N -0.070 120.204 120.200 0.124 0.000 2.385 218 E HA 0.053 4.404 4.350 0.002 0.000 0.194 218 E C 0.364 177.020 176.600 0.094 0.000 1.013 218 E CA -0.124 56.335 56.400 0.098 0.000 0.866 218 E CB -0.097 29.663 29.700 0.102 0.000 0.832 218 E HN 0.712 nan 8.360 nan 0.000 0.500 219 H N 2.576 121.686 119.070 0.066 0.000 2.975 219 H HA 0.001 4.559 4.556 0.002 0.000 0.303 219 H C -1.411 173.939 175.328 0.036 0.000 1.023 219 H CA -1.516 54.562 56.048 0.050 0.000 1.473 219 H CB 1.013 30.810 29.762 0.058 0.000 1.498 219 H HN -0.085 nan 8.280 nan 0.000 0.549 220 P HA -0.168 nan 4.420 nan 0.000 0.223 220 P C 0.723 178.117 177.300 0.156 0.000 1.144 220 P CA 1.140 64.282 63.100 0.070 0.000 0.783 220 P CB 0.442 32.131 31.700 -0.018 0.000 0.771 221 L N -1.512 119.909 121.223 0.329 0.000 2.693 221 L HA 0.259 4.600 4.340 0.002 0.000 0.235 221 L C 1.134 178.070 176.870 0.111 0.000 1.127 221 L CA -0.320 54.638 54.840 0.197 0.000 0.914 221 L CB 0.170 42.346 42.059 0.195 0.000 1.193 221 L HN -0.161 nan 8.230 nan 0.000 0.502 222 I N 0.617 121.261 120.570 0.123 0.000 2.416 222 I HA 0.020 4.191 4.170 0.002 0.000 0.288 222 I C 1.105 177.269 176.117 0.080 0.000 1.051 222 I CA -0.040 61.303 61.300 0.072 0.000 1.375 222 I CB 1.233 39.275 38.000 0.070 0.000 1.407 222 I HN 0.096 nan 8.210 nan 0.000 0.516 223 E N 5.004 125.247 120.200 0.071 0.000 2.447 223 E HA 0.091 4.442 4.350 0.002 0.000 0.195 223 E C 0.136 176.774 176.600 0.062 0.000 1.028 223 E CA 0.394 56.833 56.400 0.065 0.000 0.876 223 E CB 0.548 30.285 29.700 0.062 0.000 0.885 223 E HN 0.501 nan 8.360 nan 0.000 0.500 224 K N 0.518 120.964 120.400 0.076 0.000 2.562 224 K HA 0.297 4.619 4.320 0.002 0.000 0.267 224 K C -1.692 174.964 176.600 0.093 0.000 0.938 224 K CA -0.540 55.789 56.287 0.069 0.000 0.840 224 K CB 1.518 34.056 32.500 0.062 0.000 1.390 224 K HN -0.219 nan 8.250 nan 0.000 0.428 225 I N 2.536 123.154 120.570 0.080 0.000 2.389 225 I HA 0.266 4.438 4.170 0.002 0.000 0.288 225 I C -0.351 175.843 176.117 0.128 0.000 0.999 225 I CA -0.451 60.913 61.300 0.107 0.000 1.129 225 I CB 1.168 39.219 38.000 0.084 0.000 1.288 225 I HN 0.579 nan 8.210 nan 0.000 0.444 226 S N 7.271 123.083 115.700 0.185 0.000 2.449 226 S HA 0.720 5.191 4.470 0.002 0.000 0.310 226 S C -1.092 173.658 174.600 0.249 0.000 1.096 226 S CA -0.388 57.940 58.200 0.214 0.000 1.095 226 S CB 0.793 64.159 63.200 0.277 0.000 1.007 226 S HN 0.382 nan 8.310 nan 0.000 0.474 227 F N 3.337 123.330 119.950 0.073 0.000 2.565 227 F HA 0.709 5.238 4.527 0.002 0.000 0.313 227 F C -0.709 175.114 175.800 0.039 0.000 1.091 227 F CA -0.176 57.847 58.000 0.038 0.000 0.915 227 F CB 2.130 41.135 39.000 0.008 0.000 1.208 227 F HN 0.487 nan 8.300 nan 0.000 0.453 228 T N 3.693 117.738 114.554 -0.849 0.000 2.886 228 T HA 0.834 5.185 4.350 0.002 0.000 0.292 228 T C -0.336 173.724 174.700 -1.067 0.000 1.012 228 T CA -0.204 61.517 62.100 -0.631 0.000 0.982 228 T CB 1.442 70.151 68.868 -0.265 0.000 1.018 228 T HN 1.219 nan 8.240 nan 0.000 0.451 229 G N 1.134 109.611 108.800 -0.537 0.000 2.373 229 G HA2 0.462 4.424 3.960 0.002 0.000 0.250 229 G HA3 0.462 4.424 3.960 0.002 0.000 0.250 229 G C -0.430 174.457 174.900 -0.021 0.000 1.304 229 G CA -0.296 44.599 45.100 -0.340 0.000 0.948 229 G HN 0.908 nan 8.290 nan 0.000 0.474 230 G N -0.904 107.956 108.800 0.100 0.000 2.448 230 G HA2 0.503 4.464 3.960 0.002 0.000 0.285 230 G HA3 0.503 4.464 3.960 0.002 0.000 0.285 230 G C 1.073 176.065 174.900 0.154 0.000 1.176 230 G CA 1.034 46.176 45.100 0.070 0.000 0.852 230 G HN 0.879 nan 8.290 nan 0.000 0.530 231 T N 1.130 115.766 114.554 0.138 0.000 2.684 231 T HA -0.237 4.114 4.350 0.002 0.000 0.267 231 T C 2.904 177.641 174.700 0.062 0.000 1.036 231 T CA 2.310 64.489 62.100 0.132 0.000 1.148 231 T CB -0.273 68.721 68.868 0.209 0.000 0.863 231 T HN 0.718 nan 8.240 nan 0.000 0.436 232 S N 1.217 116.958 115.700 0.068 0.000 2.382 232 S HA -0.146 4.325 4.470 0.002 0.000 0.228 232 S C 2.151 176.745 174.600 -0.011 0.000 1.027 232 S CA 1.663 59.881 58.200 0.030 0.000 0.991 232 S CB -1.087 62.143 63.200 0.050 0.000 0.823 232 S HN 0.501 nan 8.310 nan 0.000 0.469 233 T N 1.862 116.417 114.554 0.002 0.000 2.746 233 T HA 0.061 4.412 4.350 0.002 0.000 0.267 233 T C 2.085 176.593 174.700 -0.320 0.000 1.039 233 T CA 1.327 63.381 62.100 -0.076 0.000 1.142 233 T CB -1.282 67.633 68.868 0.078 0.000 0.866 233 T HN 0.620 nan 8.240 nan 0.000 0.444 234 G N 1.998 110.610 108.800 -0.314 0.000 2.469 234 G HA2 -0.277 3.685 3.960 0.002 0.000 0.219 234 G HA3 -0.277 3.685 3.960 0.002 0.000 0.219 234 G C 1.589 176.311 174.900 -0.298 0.000 1.150 234 G CA 0.944 45.769 45.100 -0.458 0.000 0.763 234 G HN 0.449 nan 8.290 nan 0.000 0.561 235 K N 0.517 120.821 120.400 -0.159 0.000 2.032 235 K HA -0.108 4.213 4.320 0.002 0.000 0.209 235 K C 2.614 179.143 176.600 -0.118 0.000 1.048 235 K CA 1.531 57.753 56.287 -0.108 0.000 0.927 235 K CB -0.186 32.276 32.500 -0.062 0.000 0.712 235 K HN 0.273 nan 8.250 nan 0.000 0.441 236 K N 0.558 120.880 120.400 -0.131 0.000 2.057 236 K HA -0.109 4.213 4.320 0.002 0.000 0.207 236 K C 2.153 178.662 176.600 -0.151 0.000 1.049 236 K CA 1.310 57.528 56.287 -0.116 0.000 0.931 236 K CB -0.212 32.227 32.500 -0.101 0.000 0.714 236 K HN -0.053 nan 8.250 nan 0.000 0.440 237 V N 1.689 121.444 119.914 -0.266 0.000 2.307 237 V HA -0.235 3.887 4.120 0.002 0.000 0.245 237 V C 2.365 178.347 176.094 -0.187 0.000 1.045 237 V CA 1.598 63.719 62.300 -0.297 0.000 1.024 237 V CB -0.329 31.100 31.823 -0.657 0.000 0.651 237 V HN 0.355 nan 8.190 nan 0.000 0.449 238 M N -0.281 119.210 119.600 -0.182 0.000 2.099 238 M HA -0.128 4.353 4.480 0.002 0.000 0.262 238 M C 2.237 178.497 176.300 -0.067 0.000 1.067 238 M CA 2.034 57.272 55.300 -0.103 0.000 1.124 238 M CB -0.308 32.239 32.600 -0.089 0.000 1.353 238 M HN 0.378 nan 8.290 nan 0.000 0.410 239 A N -1.006 121.773 122.820 -0.068 0.000 1.978 239 A HA -0.186 4.135 4.320 0.002 0.000 0.220 239 A C 2.161 179.725 177.584 -0.033 0.000 1.170 239 A CA 2.222 54.233 52.037 -0.045 0.000 0.636 239 A CB -0.860 18.114 19.000 -0.043 0.000 0.810 239 A HN 0.573 nan 8.150 nan 0.000 0.448 240 S N -0.721 114.955 115.700 -0.040 0.000 2.377 240 S HA 0.094 4.565 4.470 0.002 0.000 0.223 240 S C 2.195 176.793 174.600 -0.003 0.000 1.030 240 S CA 1.252 59.442 58.200 -0.018 0.000 0.970 240 S CB -0.439 62.751 63.200 -0.018 0.000 0.830 240 S HN 0.795 nan 8.310 nan 0.000 0.473 241 A N 0.867 123.681 122.820 -0.009 0.000 1.933 241 A HA -0.023 4.298 4.320 0.002 0.000 0.218 241 A C 2.374 179.961 177.584 0.006 0.000 1.175 241 A CA 2.096 54.138 52.037 0.008 0.000 0.628 241 A CB -1.019 17.985 19.000 0.006 0.000 0.814 241 A HN 0.565 nan 8.150 nan 0.000 0.444 242 S N 0.498 116.194 115.700 -0.006 0.000 2.338 242 S HA -0.132 4.339 4.470 0.002 0.000 0.218 242 S C 2.306 176.905 174.600 -0.002 0.000 1.032 242 S CA 1.684 59.881 58.200 -0.005 0.000 0.999 242 S CB -0.439 62.753 63.200 -0.013 0.000 0.905 242 S HN 0.846 nan 8.310 nan 0.000 0.439 243 S N 2.068 117.766 115.700 -0.004 0.000 2.453 243 S HA -0.053 4.419 4.470 0.002 0.000 0.231 243 S C 2.011 176.612 174.600 0.002 0.000 1.005 243 S CA 0.962 59.161 58.200 -0.002 0.000 0.949 243 S CB -0.508 62.689 63.200 -0.004 0.000 0.774 243 S HN 0.613 nan 8.310 nan 0.000 0.510 244 S N 2.418 118.122 115.700 0.007 0.000 2.348 244 S HA 0.014 4.486 4.470 0.002 0.000 0.219 244 S C 1.507 176.112 174.600 0.009 0.000 1.033 244 S CA 0.892 59.099 58.200 0.010 0.000 0.974 244 S CB -0.535 62.678 63.200 0.022 0.000 0.868 244 S HN 0.876 nan 8.310 nan 0.000 0.459 245 S N -0.593 115.116 115.700 0.015 0.000 3.029 245 S HA 0.423 4.894 4.470 0.002 0.000 0.244 245 S C 0.052 174.662 174.600 0.017 0.000 0.814 245 S CA -0.276 57.934 58.200 0.017 0.000 1.148 245 S CB -0.874 62.342 63.200 0.027 0.000 1.253 245 S HN 0.506 nan 8.310 nan 0.000 0.555 246 L N 0.715 121.945 121.223 0.012 0.000 3.601 246 L HA -0.191 4.150 4.340 0.002 0.000 0.469 246 L C -0.018 176.861 176.870 0.014 0.000 1.294 246 L CA 0.564 55.409 54.840 0.009 0.000 0.829 246 L CB -1.382 40.681 42.059 0.006 0.000 1.628 246 L HN 0.440 nan 8.230 nan 0.000 0.868 247 K N 0.852 121.264 120.400 0.019 0.000 2.295 247 K HA 0.249 4.570 4.320 0.002 0.000 0.270 247 K C 0.651 177.259 176.600 0.014 0.000 1.011 247 K CA -0.724 55.577 56.287 0.024 0.000 0.953 247 K CB 0.586 33.108 32.500 0.036 0.000 0.956 247 K HN 0.087 nan 8.250 nan 0.000 0.477 248 E N 1.585 121.793 120.200 0.013 0.000 2.398 248 E HA 0.102 4.453 4.350 0.002 0.000 0.263 248 E C -0.195 176.401 176.600 -0.006 0.000 1.046 248 E CA -0.119 56.279 56.400 -0.002 0.000 0.908 248 E CB 1.078 30.771 29.700 -0.011 0.000 0.963 248 E HN 0.381 nan 8.360 nan 0.000 0.431 249 V N -0.873 119.031 119.914 -0.017 0.000 3.007 249 V HA 0.715 4.836 4.120 0.002 0.000 0.311 249 V C -0.449 175.631 176.094 -0.024 0.000 1.120 249 V CA -0.835 61.461 62.300 -0.007 0.000 0.980 249 V CB 2.210 34.036 31.823 0.005 0.000 1.033 249 V HN 0.580 nan 8.190 nan 0.000 0.429 250 T N 5.033 119.591 114.554 0.006 0.000 2.861 250 T HA 0.762 5.113 4.350 0.002 0.000 0.287 250 T C -0.600 174.162 174.700 0.104 0.000 1.003 250 T CA -0.535 61.579 62.100 0.023 0.000 0.977 250 T CB 1.542 70.420 68.868 0.016 0.000 0.996 250 T HN 0.734 nan 8.240 nan 0.000 0.448 251 M N 2.592 122.257 119.600 0.108 0.000 2.327 251 M HA 0.445 4.927 4.480 0.002 0.000 0.298 251 M C -0.994 175.396 176.300 0.149 0.000 1.065 251 M CA -0.697 54.715 55.300 0.187 0.000 0.916 251 M CB 2.086 34.769 32.600 0.140 0.000 1.630 251 M HN 0.557 nan 8.290 nan 0.000 0.442 252 E N 3.509 123.804 120.200 0.159 0.000 2.256 252 E HA 0.582 4.933 4.350 0.002 0.000 0.243 252 E C -0.610 176.028 176.600 0.064 0.000 0.925 252 E CA -0.059 56.397 56.400 0.093 0.000 0.748 252 E CB 1.157 30.901 29.700 0.074 0.000 1.206 252 E HN 0.517 nan 8.360 nan 0.000 0.428 253 L N 0.023 121.295 121.223 0.082 0.000 2.805 253 L HA 0.686 5.027 4.340 0.002 0.000 0.242 253 L C 1.263 178.122 176.870 -0.017 0.000 1.180 253 L CA -1.180 53.704 54.840 0.073 0.000 1.001 253 L CB 0.273 42.417 42.059 0.141 0.000 1.864 253 L HN 0.468 nan 8.230 nan 0.000 0.551 254 G N -1.707 107.071 108.800 -0.036 0.000 2.563 254 G HA2 0.573 4.535 3.960 0.002 0.000 0.283 254 G HA3 0.573 4.535 3.960 0.002 0.000 0.283 254 G C -0.618 174.070 174.900 -0.354 0.000 1.309 254 G CA 0.110 45.075 45.100 -0.225 0.000 1.022 254 G HN 0.814 nan 8.290 nan 0.000 0.501 255 G N -1.713 106.699 108.800 -0.647 0.000 2.608 255 G HA2 0.485 4.447 3.960 0.002 0.000 0.291 255 G HA3 0.485 4.447 3.960 0.002 0.000 0.291 255 G C -1.437 173.056 174.900 -0.679 0.000 1.425 255 G CA -0.642 44.012 45.100 -0.743 0.000 0.787 255 G HN 0.570 nan 8.290 nan 0.000 0.484 256 K N 0.679 120.892 120.400 -0.312 0.000 2.954 256 K HA 0.486 4.807 4.320 0.002 0.000 0.171 256 K C -0.093 176.562 176.600 0.093 0.000 1.079 256 K CA -0.304 55.958 56.287 -0.041 0.000 0.908 256 K CB 0.278 32.852 32.500 0.122 0.000 1.142 256 K HN 0.393 nan 8.250 nan 0.000 0.613 257 S N 3.724 119.494 115.700 0.117 0.000 2.533 257 S HA 0.209 4.681 4.470 0.002 0.000 0.282 257 S C -2.275 172.479 174.600 0.256 0.000 1.304 257 S CA -0.774 57.560 58.200 0.223 0.000 1.063 257 S CB 0.403 63.817 63.200 0.357 0.000 0.881 257 S HN 0.417 nan 8.310 nan 0.000 0.493 258 P HA 0.409 nan 4.420 nan 0.000 0.276 258 P C -1.020 176.483 177.300 0.337 0.000 1.244 258 P CA -0.718 62.563 63.100 0.300 0.000 0.801 258 P CB 0.675 32.525 31.700 0.250 0.000 1.006 259 L N 2.330 123.706 121.223 0.255 0.000 2.439 259 L HA 0.504 4.845 4.340 0.002 0.000 0.270 259 L C -1.215 175.736 176.870 0.134 0.000 0.972 259 L CA -0.480 54.477 54.840 0.196 0.000 0.836 259 L CB 1.064 43.075 42.059 -0.080 0.000 1.255 259 L HN 0.190 nan 8.230 nan 0.000 0.404 260 I N 6.553 127.123 120.570 -0.000 0.000 2.330 260 I HA 0.350 4.521 4.170 0.002 0.000 0.286 260 I C -0.361 175.573 176.117 -0.305 0.000 1.025 260 I CA -0.649 60.513 61.300 -0.230 0.000 1.197 260 I CB 1.178 38.814 38.000 -0.608 0.000 1.358 260 I HN 0.415 nan 8.210 nan 0.000 0.467 261 I N 6.402 126.864 120.570 -0.178 0.000 2.363 261 I HA 0.187 4.359 4.170 0.002 0.000 0.292 261 I C 0.150 176.201 176.117 -0.111 0.000 1.075 261 I CA 0.120 61.329 61.300 -0.151 0.000 1.333 261 I CB -0.607 37.246 38.000 -0.244 0.000 1.415 261 I HN 0.311 nan 8.210 nan 0.000 0.502 262 F N 8.197 128.196 119.950 0.083 0.000 2.378 262 F HA 0.326 4.854 4.527 0.003 0.000 0.319 262 F C -1.005 174.802 175.800 0.012 0.000 1.155 262 F CA -1.711 56.340 58.000 0.086 0.000 1.157 262 F CB 0.026 39.040 39.000 0.024 0.000 1.252 262 F HN 0.363 nan 8.300 nan 0.000 0.550 263 P HA -0.042 nan 4.420 nan 0.000 0.245 263 P C 0.095 177.400 177.300 0.008 0.000 1.212 263 P CA 0.867 63.950 63.100 -0.028 0.000 0.774 263 P CB -0.043 31.484 31.700 -0.288 0.000 0.999 264 D N -1.221 119.213 120.400 0.057 0.000 2.395 264 D HA 0.130 4.771 4.640 0.002 0.000 0.213 264 D C 0.459 176.791 176.300 0.055 0.000 1.110 264 D CA -0.393 53.629 54.000 0.036 0.000 0.835 264 D CB -0.114 40.693 40.800 0.011 0.000 0.965 264 D HN -0.057 nan 8.370 nan 0.000 0.505 265 A N 0.818 123.686 122.820 0.079 0.000 2.407 265 A HA 0.233 4.554 4.320 0.002 0.000 0.248 265 A C -0.159 177.464 177.584 0.065 0.000 1.082 265 A CA -0.320 51.764 52.037 0.079 0.000 0.785 265 A CB 0.184 19.236 19.000 0.088 0.000 1.020 265 A HN 0.171 nan 8.150 nan 0.000 0.489 266 D N 1.388 121.825 120.400 0.063 0.000 2.383 266 D HA 0.216 4.858 4.640 0.002 0.000 0.252 266 D C 0.879 177.228 176.300 0.082 0.000 1.166 266 D CA 0.008 54.044 54.000 0.061 0.000 0.879 266 D CB 0.285 41.116 40.800 0.051 0.000 1.164 266 D HN 0.407 nan 8.370 nan 0.000 0.462 267 L N 3.055 124.333 121.223 0.093 0.000 2.313 267 L HA -0.025 4.317 4.340 0.002 0.000 0.214 267 L C 1.484 178.434 176.870 0.133 0.000 1.119 267 L CA 0.398 55.325 54.840 0.144 0.000 0.809 267 L CB -0.206 41.949 42.059 0.160 0.000 0.933 267 L HN 0.564 nan 8.230 nan 0.000 0.449 268 D N 0.233 120.682 120.400 0.082 0.000 2.097 268 D HA -0.186 4.456 4.640 0.002 0.000 0.197 268 D C 2.162 178.500 176.300 0.063 0.000 0.984 268 D CA 0.981 55.015 54.000 0.057 0.000 0.826 268 D CB -0.028 40.795 40.800 0.039 0.000 0.973 268 D HN 0.215 nan 8.370 nan 0.000 0.460 269 R N 0.842 121.382 120.500 0.067 0.000 2.080 269 R HA -0.155 4.186 4.340 0.002 0.000 0.236 269 R C 2.328 178.682 176.300 0.089 0.000 1.137 269 R CA 1.520 57.660 56.100 0.067 0.000 0.943 269 R CB -0.309 30.029 30.300 0.063 0.000 0.846 269 R HN 0.079 nan 8.270 nan 0.000 0.431 270 A N 0.683 123.577 122.820 0.123 0.000 1.903 270 A HA -0.246 4.075 4.320 0.002 0.000 0.219 270 A C 2.345 180.081 177.584 0.253 0.000 1.191 270 A CA 2.255 54.400 52.037 0.179 0.000 0.638 270 A CB -0.872 18.244 19.000 0.194 0.000 0.823 270 A HN 0.574 nan 8.150 nan 0.000 0.451 271 A N -0.355 122.591 122.820 0.211 0.000 1.873 271 A HA -0.157 4.164 4.320 0.002 0.000 0.215 271 A C 1.797 179.397 177.584 0.026 0.000 1.186 271 A CA 1.796 53.871 52.037 0.064 0.000 0.616 271 A CB -0.628 18.328 19.000 -0.073 0.000 0.823 271 A HN 0.490 nan 8.150 nan 0.000 0.442 272 D N 0.288 120.707 120.400 0.033 0.000 2.106 272 D HA -0.177 4.464 4.640 0.002 0.000 0.191 272 D C 1.878 178.179 176.300 0.001 0.000 0.997 272 D CA 1.531 55.544 54.000 0.021 0.000 0.834 272 D CB -0.440 40.374 40.800 0.024 0.000 0.956 272 D HN 0.532 nan 8.370 nan 0.000 0.448 273 I N 1.341 121.918 120.570 0.012 0.000 2.127 273 I HA -0.298 3.873 4.170 0.002 0.000 0.241 273 I C 2.610 178.647 176.117 -0.134 0.000 1.075 273 I CA 1.187 62.476 61.300 -0.018 0.000 1.334 273 I CB -0.382 37.652 38.000 0.057 0.000 1.040 273 I HN -0.071 nan 8.210 nan 0.000 0.405 274 A N 0.906 123.684 122.820 -0.070 0.000 1.896 274 A HA -0.270 4.052 4.320 0.002 0.000 0.220 274 A C 2.417 179.855 177.584 -0.244 0.000 1.206 274 A CA 3.174 55.138 52.037 -0.123 0.000 0.647 274 A CB -1.399 17.661 19.000 0.099 0.000 0.828 274 A HN 0.408 nan 8.150 nan 0.000 0.455 275 V N -3.376 116.466 119.914 -0.120 0.000 2.379 275 V HA -0.212 3.909 4.120 0.002 0.000 0.245 275 V C 2.351 178.394 176.094 -0.086 0.000 1.044 275 V CA 1.854 64.126 62.300 -0.048 0.000 1.036 275 V CB -0.963 30.980 31.823 0.200 0.000 0.664 275 V HN 0.424 nan 8.190 nan 0.000 0.453 276 M N 1.213 120.774 119.600 -0.065 0.000 2.159 276 M HA -0.024 4.457 4.480 0.002 0.000 0.263 276 M C 2.440 178.630 176.300 -0.184 0.000 1.063 276 M CA 2.247 57.509 55.300 -0.062 0.000 1.110 276 M CB -1.440 31.102 32.600 -0.096 0.000 1.374 276 M HN 0.556 nan 8.290 nan 0.000 0.411 277 A N -0.153 122.418 122.820 -0.415 0.000 2.172 277 A HA -0.121 4.201 4.320 0.002 0.000 0.216 277 A C 1.945 179.253 177.584 -0.460 0.000 1.154 277 A CA 1.379 52.985 52.037 -0.719 0.000 0.701 277 A CB -0.451 17.660 19.000 -1.481 0.000 0.789 277 A HN 0.556 nan 8.150 nan 0.000 0.465 278 N N -2.440 115.962 118.700 -0.497 0.000 2.419 278 N HA 0.144 4.886 4.740 0.002 0.000 0.216 278 N C 0.208 175.456 175.510 -0.437 0.000 1.118 278 N CA 0.545 53.215 53.050 -0.634 0.000 0.850 278 N CB 0.441 38.226 38.487 -1.169 0.000 1.292 278 N HN 0.414 nan 8.380 nan 0.000 0.467 279 F N -0.249 119.768 119.950 0.112 0.000 2.724 279 F HA 0.362 4.890 4.527 0.002 0.000 0.306 279 F C 0.495 176.447 175.800 0.253 0.000 1.100 279 F CA -0.915 57.198 58.000 0.188 0.000 1.255 279 F CB -0.407 38.657 39.000 0.106 0.000 1.072 279 F HN -0.184 nan 8.300 nan 0.000 0.589 280 F N 1.301 121.365 119.950 0.190 0.000 2.529 280 F HA 0.249 4.778 4.527 0.003 0.000 0.365 280 F C 1.547 177.402 175.800 0.091 0.000 1.102 280 F CA 0.287 58.371 58.000 0.140 0.000 1.271 280 F CB 0.492 39.553 39.000 0.101 0.000 1.120 280 F HN -0.027 nan 8.300 nan 0.000 0.579 281 S N 2.569 118.144 115.700 -0.207 0.000 3.533 281 S HA -0.260 4.211 4.470 0.002 0.000 0.347 281 S C 0.473 174.935 174.600 -0.231 0.000 1.101 281 S CA 0.924 58.993 58.200 -0.219 0.000 1.009 281 S CB -1.656 61.481 63.200 -0.106 0.000 0.916 281 S HN 0.969 nan 8.310 nan 0.000 0.496 282 S N -1.752 113.809 115.700 -0.233 0.000 3.783 282 S HA -0.136 4.335 4.470 0.002 0.000 0.360 282 S C 1.313 175.906 174.600 -0.013 0.000 1.006 282 S CA 0.910 58.926 58.200 -0.308 0.000 1.115 282 S CB -1.926 60.800 63.200 -0.790 0.000 0.893 282 S HN 2.367 nan 8.310 nan 0.000 0.475 283 G N 0.407 109.280 108.800 0.120 0.000 2.212 283 G HA2 -0.372 3.589 3.960 0.002 0.000 0.267 283 G HA3 -0.372 3.589 3.960 0.002 0.000 0.267 283 G C 0.126 174.952 174.900 -0.124 0.000 1.002 283 G CA 0.874 46.015 45.100 0.069 0.000 0.729 283 G HN 0.729 nan 8.290 nan 0.000 0.517 284 Q N -0.395 119.253 119.800 -0.253 0.000 2.412 284 Q HA 0.398 4.740 4.340 0.002 0.000 0.298 284 Q C 0.027 175.791 176.000 -0.393 0.000 0.938 284 Q CA -0.142 55.224 55.803 -0.728 0.000 0.968 284 Q CB 0.746 29.199 28.738 -0.474 0.000 1.187 284 Q HN 0.394 nan 8.270 nan 0.000 0.421 285 V N -0.837 119.084 119.914 0.012 0.000 2.448 285 V HA 0.084 4.205 4.120 0.002 0.000 0.295 285 V C 0.876 177.254 176.094 0.474 0.000 1.025 285 V CA -0.768 61.720 62.300 0.313 0.000 0.859 285 V CB 1.543 33.537 31.823 0.285 0.000 0.988 285 V HN 0.446 nan 8.190 nan 0.000 0.431 286 C N 2.641 122.197 119.300 0.428 0.000 2.419 286 C HA -0.105 4.356 4.460 0.002 0.000 0.281 286 C C 2.469 177.553 174.990 0.156 0.000 1.336 286 C CA 1.730 60.873 59.018 0.207 0.000 1.770 286 C CB -0.992 26.733 27.740 -0.025 0.000 1.929 286 C HN 1.030 nan 8.230 nan 0.000 0.509 287 T N -1.411 113.274 114.554 0.219 0.000 3.129 287 T HA 0.045 4.397 4.350 0.002 0.000 0.251 287 T C 0.316 175.305 174.700 0.482 0.000 1.117 287 T CA -0.062 62.221 62.100 0.305 0.000 1.034 287 T CB -0.477 68.612 68.868 0.368 0.000 0.968 287 T HN 0.385 nan 8.240 nan 0.000 0.526 288 N N 2.358 121.270 118.700 0.353 0.000 2.454 288 N HA 0.280 5.022 4.740 0.002 0.000 0.254 288 N C 0.797 176.430 175.510 0.206 0.000 1.228 288 N CA 0.140 53.351 53.050 0.268 0.000 0.900 288 N CB 0.514 39.079 38.487 0.131 0.000 1.089 288 N HN 0.439 nan 8.380 nan 0.000 0.449 289 G N -0.005 108.712 108.800 -0.138 0.000 3.458 289 G HA2 0.040 4.001 3.960 0.002 0.000 0.256 289 G HA3 0.040 4.001 3.960 0.002 0.000 0.256 289 G C 1.120 175.876 174.900 -0.241 0.000 0.938 289 G CA -0.294 44.602 45.100 -0.340 0.000 1.890 289 G HN 0.631 nan 8.290 nan 0.000 0.639 290 T N -1.869 112.639 114.554 -0.078 0.000 3.051 290 T HA 0.031 4.383 4.350 0.002 0.000 0.269 290 T C 1.091 175.761 174.700 -0.050 0.000 1.127 290 T CA 0.294 62.354 62.100 -0.067 0.000 1.107 290 T CB 0.103 68.961 68.868 -0.017 0.000 0.898 290 T HN 0.336 nan 8.240 nan 0.000 0.517 291 R N 1.167 121.652 120.500 -0.025 0.000 2.320 291 R HA 0.562 4.903 4.340 0.002 0.000 0.319 291 R C -1.467 174.798 176.300 -0.058 0.000 0.969 291 R CA -0.567 55.503 56.100 -0.051 0.000 0.857 291 R CB 1.958 32.263 30.300 0.007 0.000 1.160 291 R HN 0.111 nan 8.270 nan 0.000 0.491 292 V N 4.962 124.800 119.914 -0.125 0.000 2.333 292 V HA 0.315 4.436 4.120 0.002 0.000 0.274 292 V C -0.301 175.706 176.094 -0.144 0.000 1.028 292 V CA -0.486 61.771 62.300 -0.072 0.000 0.851 292 V CB 0.416 32.240 31.823 0.001 0.000 1.000 292 V HN 0.529 nan 8.190 nan 0.000 0.456 293 F N 5.464 125.386 119.950 -0.046 0.000 2.410 293 F HA 0.646 5.174 4.527 0.001 0.000 0.349 293 F C 0.064 175.834 175.800 -0.051 0.000 1.117 293 F CA -0.325 57.697 58.000 0.036 0.000 1.104 293 F CB 1.535 40.592 39.000 0.094 0.000 1.122 293 F HN 0.374 nan 8.300 nan 0.000 0.483 294 I N 2.409 122.979 120.570 -0.001 0.000 2.785 294 I HA 0.377 4.549 4.170 0.002 0.000 0.302 294 I C -0.600 175.199 176.117 -0.529 0.000 1.069 294 I CA -0.605 60.527 61.300 -0.279 0.000 1.045 294 I CB 1.321 39.027 38.000 -0.490 0.000 1.236 294 I HN 0.537 nan 8.210 nan 0.000 0.429 295 H N 4.312 122.947 119.070 -0.724 0.000 2.771 295 H HA 0.282 4.843 4.556 0.008 0.000 0.364 295 H C 1.178 176.253 175.328 -0.421 0.000 1.133 295 H CA 0.805 56.338 56.048 -0.858 0.000 1.423 295 H CB 0.862 30.365 29.762 -0.432 0.000 1.425 295 H HN 0.581 nan 8.280 nan 0.000 0.606 296 R N 1.350 121.426 120.500 -0.706 0.000 2.073 296 R HA -0.154 4.188 4.340 0.002 0.000 0.234 296 R C 2.049 178.221 176.300 -0.213 0.000 1.134 296 R CA 1.631 57.505 56.100 -0.377 0.000 0.952 296 R CB -0.449 29.646 30.300 -0.341 0.000 0.850 296 R HN 0.727 nan 8.270 nan 0.000 0.433 297 S N -0.509 115.075 115.700 -0.193 0.000 2.571 297 S HA -0.156 4.315 4.470 0.002 0.000 0.245 297 S C 1.119 175.754 174.600 0.058 0.000 0.976 297 S CA 1.310 59.527 58.200 0.028 0.000 0.954 297 S CB 0.027 63.344 63.200 0.195 0.000 0.756 297 S HN 0.566 nan 8.310 nan 0.000 0.535 298 Q N -0.828 118.990 119.800 0.031 0.000 2.073 298 Q HA 0.254 4.595 4.340 0.002 0.000 0.215 298 Q C 1.579 177.620 176.000 0.069 0.000 0.776 298 Q CA -0.156 55.678 55.803 0.051 0.000 1.008 298 Q CB 0.195 28.968 28.738 0.058 0.000 1.196 298 Q HN 0.650 nan 8.270 nan 0.000 0.458 299 Q N 0.682 120.503 119.800 0.034 0.000 2.170 299 Q HA -0.168 4.173 4.340 0.002 0.000 0.203 299 Q C 1.672 177.745 176.000 0.121 0.000 0.976 299 Q CA 1.539 57.395 55.803 0.089 0.000 0.858 299 Q CB 0.117 28.869 28.738 0.024 0.000 0.907 299 Q HN 0.426 nan 8.270 nan 0.000 0.433 300 A N 1.145 124.008 122.820 0.070 0.000 1.841 300 A HA -0.179 4.142 4.320 0.002 0.000 0.214 300 A C 2.077 179.695 177.584 0.056 0.000 1.195 300 A CA 1.387 53.454 52.037 0.050 0.000 0.611 300 A CB -0.536 18.481 19.000 0.029 0.000 0.835 300 A HN 0.362 nan 8.150 nan 0.000 0.443 301 R N -1.759 118.783 120.500 0.071 0.000 2.096 301 R HA -0.188 4.154 4.340 0.002 0.000 0.240 301 R C 2.037 178.392 176.300 0.091 0.000 1.139 301 R CA 1.927 58.069 56.100 0.072 0.000 0.952 301 R CB -0.551 29.797 30.300 0.081 0.000 0.854 301 R HN 0.652 nan 8.270 nan 0.000 0.436 302 F N 1.685 121.634 119.950 -0.002 0.000 2.163 302 F HA -0.060 4.468 4.527 0.001 0.000 0.297 302 F C 1.934 177.731 175.800 -0.006 0.000 1.094 302 F CA 1.221 59.219 58.000 -0.002 0.000 1.290 302 F CB -0.037 38.963 39.000 -0.000 0.000 1.017 302 F HN -0.069 nan 8.300 nan 0.000 0.483 303 E N 0.464 120.612 120.200 -0.087 0.000 2.160 303 E HA -0.242 4.109 4.350 0.002 0.000 0.195 303 E C 2.324 178.821 176.600 -0.172 0.000 0.991 303 E CA 0.946 57.251 56.400 -0.159 0.000 0.810 303 E CB -0.332 29.364 29.700 -0.006 0.000 0.742 303 E HN 0.563 nan 8.360 nan 0.000 0.466 304 A N 1.553 124.305 122.820 -0.113 0.000 1.855 304 A HA -0.217 4.104 4.320 0.002 0.000 0.215 304 A C 1.946 179.453 177.584 -0.128 0.000 1.191 304 A CA 1.526 53.507 52.037 -0.093 0.000 0.613 304 A CB -0.258 18.714 19.000 -0.046 0.000 0.829 304 A HN 0.055 nan 8.150 nan 0.000 0.442 305 K N -0.408 119.897 120.400 -0.159 0.000 2.148 305 K HA -0.019 4.302 4.320 0.002 0.000 0.204 305 K C 1.784 178.260 176.600 -0.206 0.000 1.050 305 K CA 1.224 57.419 56.287 -0.154 0.000 0.942 305 K CB -0.267 32.165 32.500 -0.114 0.000 0.724 305 K HN 0.304 nan 8.250 nan 0.000 0.446 306 V N 1.428 121.139 119.914 -0.338 0.000 2.358 306 V HA -0.209 3.912 4.120 0.002 0.000 0.246 306 V C 2.113 178.107 176.094 -0.166 0.000 1.047 306 V CA 1.286 63.412 62.300 -0.289 0.000 1.035 306 V CB -0.334 31.228 31.823 -0.435 0.000 0.658 306 V HN 0.228 nan 8.190 nan 0.000 0.452 307 L N 0.559 121.683 121.223 -0.165 0.000 1.994 307 L HA -0.172 4.169 4.340 0.002 0.000 0.208 307 L C 2.498 179.291 176.870 -0.128 0.000 1.071 307 L CA 2.471 57.228 54.840 -0.139 0.000 0.745 307 L CB -0.758 41.228 42.059 -0.121 0.000 0.892 307 L HN 0.479 nan 8.230 nan 0.000 0.431 308 E N -0.473 119.660 120.200 -0.111 0.000 2.136 308 E HA -0.353 3.998 4.350 0.002 0.000 0.208 308 E C 2.253 178.798 176.600 -0.091 0.000 1.035 308 E CA 2.283 58.629 56.400 -0.091 0.000 0.838 308 E CB -0.110 29.545 29.700 -0.076 0.000 0.748 308 E HN 0.510 nan 8.360 nan 0.000 0.459 309 R N -0.552 119.893 120.500 -0.091 0.000 2.100 309 R HA 0.011 4.352 4.340 0.002 0.000 0.220 309 R C 2.459 178.689 176.300 -0.117 0.000 1.091 309 R CA 0.990 57.045 56.100 -0.075 0.000 0.986 309 R CB 0.057 30.334 30.300 -0.037 0.000 0.888 309 R HN 0.092 nan 8.270 nan 0.000 0.444 310 V N 1.644 121.458 119.914 -0.167 0.000 2.626 310 V HA -0.217 3.905 4.120 0.002 0.000 0.252 310 V C 2.072 177.989 176.094 -0.296 0.000 1.067 310 V CA 1.574 63.679 62.300 -0.325 0.000 1.081 310 V CB -0.540 31.029 31.823 -0.423 0.000 0.686 310 V HN 0.354 nan 8.190 nan 0.000 0.468 311 Q N 0.651 120.329 119.800 -0.203 0.000 2.226 311 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 311 Q C 2.139 178.047 176.000 -0.153 0.000 0.975 311 Q CA 1.564 57.265 55.803 -0.170 0.000 0.866 311 Q CB -0.125 28.538 28.738 -0.125 0.000 0.915 311 Q HN 0.781 nan 8.270 nan 0.000 0.440 312 R N -0.155 120.262 120.500 -0.138 0.000 2.397 312 R HA 0.274 4.616 4.340 0.002 0.000 0.241 312 R C 0.296 176.530 176.300 -0.109 0.000 0.914 312 R CA -0.230 55.807 56.100 -0.104 0.000 1.071 312 R CB -0.063 30.196 30.300 -0.068 0.000 1.116 312 R HN 0.008 nan 8.270 nan 0.000 0.524 313 I N 3.130 123.597 120.570 -0.171 0.000 2.821 313 I HA -0.085 4.087 4.170 0.002 0.000 0.294 313 I C 0.349 176.378 176.117 -0.145 0.000 1.210 313 I CA 0.454 61.643 61.300 -0.185 0.000 1.430 313 I CB 0.299 38.077 38.000 -0.370 0.000 1.356 313 I HN 0.096 nan 8.210 nan 0.000 0.563 314 R N 6.830 127.295 120.500 -0.059 0.000 2.419 314 R HA 0.307 4.649 4.340 0.002 0.000 0.305 314 R C -0.368 175.950 176.300 0.029 0.000 1.242 314 R CA -0.537 55.553 56.100 -0.017 0.000 1.105 314 R CB 0.266 30.573 30.300 0.011 0.000 1.116 314 R HN 0.548 nan 8.270 nan 0.000 0.523 315 L N 2.027 123.243 121.223 -0.012 0.000 2.426 315 L HA 0.390 4.731 4.340 0.002 0.000 0.271 315 L C 0.522 177.437 176.870 0.075 0.000 1.169 315 L CA 0.697 55.572 54.840 0.059 0.000 0.836 315 L CB 0.767 42.757 42.059 -0.115 0.000 1.112 315 L HN 0.759 nan 8.230 nan 0.000 0.465 316 G N 2.657 111.551 108.800 0.157 0.000 2.320 316 G HA2 0.040 4.001 3.960 0.002 0.000 0.296 316 G HA3 0.040 4.001 3.960 0.002 0.000 0.296 316 G C -1.761 173.312 174.900 0.288 0.000 1.306 316 G CA -0.840 44.403 45.100 0.239 0.000 0.836 316 G HN 0.467 nan 8.290 nan 0.000 0.517 317 D N 1.239 121.792 120.400 0.254 0.000 2.570 317 D HA 0.116 4.757 4.640 0.002 0.000 0.243 317 D C -0.463 175.909 176.300 0.121 0.000 1.171 317 D CA -1.147 52.971 54.000 0.198 0.000 0.879 317 D CB 1.566 42.438 40.800 0.120 0.000 1.143 317 D HN 0.031 nan 8.370 nan 0.000 0.511 318 P HA -0.198 nan 4.420 nan 0.000 0.217 318 P C 1.169 178.475 177.300 0.011 0.000 1.148 318 P CA 0.997 64.101 63.100 0.008 0.000 0.828 318 P CB 0.357 32.034 31.700 -0.038 0.000 0.783 319 Q N -0.248 119.571 119.800 0.032 0.000 2.234 319 Q HA -0.105 4.236 4.340 0.002 0.000 0.206 319 Q C 0.939 176.954 176.000 0.025 0.000 0.980 319 Q CA 0.866 56.686 55.803 0.027 0.000 0.869 319 Q CB -0.735 28.024 28.738 0.034 0.000 0.912 319 Q HN 0.389 nan 8.270 nan 0.000 0.436 320 D N 0.885 121.306 120.400 0.035 0.000 2.389 320 D HA -0.056 4.586 4.640 0.002 0.000 0.247 320 D C 0.652 176.964 176.300 0.021 0.000 1.128 320 D CA 0.224 54.243 54.000 0.031 0.000 0.884 320 D CB 1.014 41.841 40.800 0.044 0.000 1.194 320 D HN 0.115 nan 8.370 nan 0.000 0.441 321 E N 2.700 122.909 120.200 0.017 0.000 2.347 321 E HA -0.163 4.189 4.350 0.002 0.000 0.196 321 E C 0.763 177.371 176.600 0.015 0.000 1.008 321 E CA 0.370 56.778 56.400 0.013 0.000 0.852 321 E CB 0.310 30.017 29.700 0.012 0.000 0.783 321 E HN 0.305 nan 8.360 nan 0.000 0.505 322 N N 0.016 118.727 118.700 0.019 0.000 2.280 322 N HA 0.014 4.756 4.740 0.002 0.000 0.192 322 N C -0.631 174.894 175.510 0.026 0.000 1.109 322 N CA 0.191 53.253 53.050 0.021 0.000 0.855 322 N CB 0.551 39.050 38.487 0.020 0.000 0.974 322 N HN -0.076 nan 8.380 nan 0.000 0.482 323 T N 1.150 115.722 114.554 0.030 0.000 2.907 323 T HA 0.092 4.443 4.350 0.002 0.000 0.298 323 T C 1.039 175.749 174.700 0.016 0.000 1.017 323 T CA -0.154 61.970 62.100 0.039 0.000 1.118 323 T CB 0.641 69.541 68.868 0.053 0.000 0.948 323 T HN 0.400 nan 8.240 nan 0.000 0.531 324 N N 1.241 119.959 118.700 0.031 0.000 2.160 324 N HA 0.126 4.868 4.740 0.002 0.000 0.226 324 N C -0.728 174.805 175.510 0.039 0.000 1.256 324 N CA -0.392 52.657 53.050 -0.002 0.000 0.890 324 N CB 0.298 38.794 38.487 0.014 0.000 1.116 324 N HN 0.496 nan 8.380 nan 0.000 0.517 325 F N 0.638 120.524 119.950 -0.106 0.000 2.915 325 F HA 0.706 5.234 4.527 0.002 0.000 0.350 325 F C 0.170 175.922 175.800 -0.081 0.000 1.248 325 F CA -0.821 57.110 58.000 -0.115 0.000 1.084 325 F CB 1.119 40.053 39.000 -0.110 0.000 1.391 325 F HN 0.044 nan 8.300 nan 0.000 0.548 326 G N 4.590 113.110 108.800 -0.466 0.000 2.641 326 G HA2 0.600 4.561 3.960 0.002 0.000 0.239 326 G HA3 0.600 4.561 3.960 0.002 0.000 0.239 326 G C -2.797 171.685 174.900 -0.696 0.000 1.402 326 G CA -1.487 43.392 45.100 -0.369 0.000 1.046 326 G HN 0.375 nan 8.290 nan 0.000 0.565 327 P HA 0.231 nan 4.420 nan 0.000 0.274 327 P C -0.143 176.764 177.300 -0.655 0.000 1.256 327 P CA -0.280 62.154 63.100 -1.109 0.000 0.795 327 P CB 0.938 31.892 31.700 -1.243 0.000 1.038 328 L N 0.276 121.193 121.223 -0.510 0.000 2.468 328 L HA 0.170 4.511 4.340 0.002 0.000 0.254 328 L C 2.264 178.922 176.870 -0.353 0.000 1.171 328 L CA -0.649 53.990 54.840 -0.336 0.000 0.809 328 L CB 0.123 42.071 42.059 -0.185 0.000 1.155 328 L HN 0.110 nan 8.230 nan 0.000 0.473 329 V N 0.222 119.943 119.914 -0.322 0.000 2.469 329 V HA -0.142 3.979 4.120 0.002 0.000 0.251 329 V C 0.992 176.855 176.094 -0.386 0.000 1.064 329 V CA 1.873 63.939 62.300 -0.390 0.000 1.066 329 V CB 0.157 31.617 31.823 -0.605 0.000 0.667 329 V HN 0.958 nan 8.190 nan 0.000 0.461 330 S N -3.417 112.060 115.700 -0.371 0.000 2.596 330 S HA 0.449 4.920 4.470 0.002 0.000 0.270 330 S C 0.023 174.505 174.600 -0.195 0.000 1.155 330 S CA -0.504 57.556 58.200 -0.234 0.000 0.827 330 S CB 0.950 64.028 63.200 -0.204 0.000 1.130 330 S HN 0.051 nan 8.310 nan 0.000 0.467 331 F N 1.012 120.922 119.950 -0.066 0.000 2.102 331 F HA 0.146 4.675 4.527 0.003 0.000 0.298 331 F C -0.715 175.080 175.800 -0.008 0.000 1.105 331 F CA 1.363 59.346 58.000 -0.027 0.000 1.239 331 F CB -1.892 37.100 39.000 -0.012 0.000 0.991 331 F HN 0.427 nan 8.300 nan 0.000 0.474 332 P HA -0.241 nan 4.420 nan 0.000 0.216 332 P C 1.249 178.621 177.300 0.121 0.000 1.154 332 P CA 1.961 65.133 63.100 0.121 0.000 0.865 332 P CB -0.139 31.612 31.700 0.085 0.000 0.789 333 H N -1.518 117.533 119.070 -0.031 0.000 2.428 333 H HA 0.032 4.589 4.556 0.002 0.000 0.296 333 H C 1.961 177.292 175.328 0.005 0.000 1.062 333 H CA 1.173 57.206 56.048 -0.024 0.000 1.350 333 H CB -0.684 28.985 29.762 -0.154 0.000 1.403 333 H HN -0.026 nan 8.280 nan 0.000 0.533 334 M N 0.015 119.589 119.600 -0.044 0.000 2.108 334 M HA -0.186 4.295 4.480 0.002 0.000 0.261 334 M C 1.297 177.587 176.300 -0.017 0.000 1.066 334 M CA 2.073 57.335 55.300 -0.063 0.000 1.107 334 M CB 0.069 32.630 32.600 -0.065 0.000 1.356 334 M HN 0.296 nan 8.290 nan 0.000 0.406 335 E N -0.792 119.422 120.200 0.023 0.000 2.442 335 E HA -0.058 4.293 4.350 0.002 0.000 0.195 335 E C 1.888 178.506 176.600 0.029 0.000 1.030 335 E CA 0.544 56.968 56.400 0.040 0.000 0.869 335 E CB 0.183 29.920 29.700 0.063 0.000 0.857 335 E HN 0.504 nan 8.360 nan 0.000 0.505 336 S N -0.052 115.654 115.700 0.009 0.000 2.387 336 S HA -0.096 4.375 4.470 0.002 0.000 0.226 336 S C 1.975 176.630 174.600 0.092 0.000 1.026 336 S CA 0.714 58.935 58.200 0.036 0.000 0.972 336 S CB 0.101 63.320 63.200 0.031 0.000 0.814 336 S HN 0.070 nan 8.310 nan 0.000 0.477 337 V N 2.119 122.041 119.914 0.013 0.000 2.379 337 V HA -0.048 4.074 4.120 0.002 0.000 0.245 337 V C 2.357 178.538 176.094 0.146 0.000 1.044 337 V CA 1.397 63.756 62.300 0.100 0.000 1.036 337 V CB -0.689 31.134 31.823 0.001 0.000 0.664 337 V HN 0.443 nan 8.190 nan 0.000 0.453 338 L N 0.724 121.998 121.223 0.085 0.000 2.043 338 L HA -0.178 4.163 4.340 0.002 0.000 0.212 338 L C 2.625 179.544 176.870 0.081 0.000 1.075 338 L CA 1.919 56.809 54.840 0.085 0.000 0.752 338 L CB -1.184 40.911 42.059 0.060 0.000 0.891 338 L HN 0.500 nan 8.230 nan 0.000 0.432 339 G N -1.434 107.394 108.800 0.046 0.000 2.462 339 G HA2 -0.278 3.683 3.960 0.002 0.000 0.220 339 G HA3 -0.278 3.683 3.960 0.002 0.000 0.220 339 G C 1.254 176.093 174.900 -0.101 0.000 1.121 339 G CA 0.588 45.667 45.100 -0.034 0.000 0.758 339 G HN 0.314 nan 8.290 nan 0.000 0.559 340 Y N 0.310 120.637 120.300 0.045 0.000 2.314 340 Y HA 0.172 4.723 4.550 0.003 0.000 0.294 340 Y C 2.711 178.644 175.900 0.054 0.000 1.119 340 Y CA 0.474 58.600 58.100 0.044 0.000 1.179 340 Y CB -0.027 38.468 38.460 0.059 0.000 1.025 340 Y HN 0.117 nan 8.280 nan 0.000 0.541 341 I N -0.235 120.499 120.570 0.272 0.000 2.226 341 I HA -0.238 3.933 4.170 0.002 0.000 0.245 341 I C 1.945 178.196 176.117 0.223 0.000 1.100 341 I CA 1.209 62.705 61.300 0.327 0.000 1.374 341 I CB -0.318 37.868 38.000 0.309 0.000 1.057 341 I HN 0.175 nan 8.210 nan 0.000 0.413 342 E N 0.398 120.673 120.200 0.124 0.000 2.204 342 E HA -0.165 4.186 4.350 0.002 0.000 0.195 342 E C 2.241 178.853 176.600 0.020 0.000 0.990 342 E CA 0.985 57.426 56.400 0.069 0.000 0.821 342 E CB -0.262 29.460 29.700 0.036 0.000 0.750 342 E HN 0.349 nan 8.360 nan 0.000 0.477 343 S N -0.004 115.692 115.700 -0.006 0.000 2.345 343 S HA -0.053 4.418 4.470 0.002 0.000 0.219 343 S C 2.080 176.624 174.600 -0.093 0.000 1.031 343 S CA 1.267 59.438 58.200 -0.049 0.000 0.984 343 S CB -0.423 62.735 63.200 -0.070 0.000 0.874 343 S HN 0.378 nan 8.310 nan 0.000 0.451 344 G N 1.412 110.095 108.800 -0.194 0.000 2.469 344 G HA2 -0.256 3.705 3.960 0.002 0.000 0.219 344 G HA3 -0.256 3.705 3.960 0.002 0.000 0.219 344 G C 1.514 176.210 174.900 -0.340 0.000 1.150 344 G CA 1.045 45.822 45.100 -0.538 0.000 0.763 344 G HN 0.519 nan 8.290 nan 0.000 0.561 345 K N 0.452 120.808 120.400 -0.074 0.000 2.002 345 K HA 0.018 4.340 4.320 0.002 0.000 0.209 345 K C 2.991 179.605 176.600 0.023 0.000 1.048 345 K CA 1.129 57.464 56.287 0.081 0.000 0.930 345 K CB -0.326 32.258 32.500 0.139 0.000 0.714 345 K HN 0.256 nan 8.250 nan 0.000 0.438 346 A N 1.033 123.853 122.820 0.001 0.000 1.978 346 A HA -0.217 4.104 4.320 0.002 0.000 0.220 346 A C 1.758 179.331 177.584 -0.018 0.000 1.170 346 A CA 1.400 53.433 52.037 -0.006 0.000 0.636 346 A CB -0.344 18.649 19.000 -0.010 0.000 0.810 346 A HN 0.337 nan 8.150 nan 0.000 0.448 347 Q N -1.088 118.685 119.800 -0.045 0.000 2.282 347 Q HA 0.122 4.463 4.340 0.002 0.000 0.205 347 Q C -0.208 175.769 176.000 -0.038 0.000 0.915 347 Q CA 0.007 55.782 55.803 -0.046 0.000 0.949 347 Q CB -0.033 28.666 28.738 -0.064 0.000 1.035 347 Q HN 0.548 nan 8.270 nan 0.000 0.484 348 K N -1.986 118.403 120.400 -0.018 0.000 3.274 348 K HA -0.214 4.107 4.320 0.002 0.000 0.300 348 K C -0.450 176.155 176.600 0.009 0.000 1.230 348 K CA 0.437 56.727 56.287 0.004 0.000 0.884 348 K CB -1.649 30.854 32.500 0.005 0.000 1.242 348 K HN 0.327 nan 8.250 nan 0.000 0.467 349 A N 1.855 124.661 122.820 -0.024 0.000 2.450 349 A HA 0.279 4.601 4.320 0.002 0.000 0.255 349 A C 0.391 178.071 177.584 0.160 0.000 1.096 349 A CA -0.150 51.884 52.037 -0.005 0.000 0.778 349 A CB 0.314 19.190 19.000 -0.207 0.000 1.031 349 A HN 0.346 nan 8.150 nan 0.000 0.494 350 R N 1.952 122.559 120.500 0.178 0.000 2.442 350 R HA 0.308 4.649 4.340 0.002 0.000 0.291 350 R C -0.665 175.814 176.300 0.300 0.000 1.069 350 R CA -0.356 55.857 56.100 0.189 0.000 1.022 350 R CB 0.226 30.587 30.300 0.101 0.000 0.976 350 R HN 0.619 nan 8.270 nan 0.000 0.443 351 L N 5.673 127.002 121.223 0.177 0.000 2.265 351 L HA 0.230 4.571 4.340 0.002 0.000 0.288 351 L C -0.086 176.719 176.870 -0.108 0.000 1.058 351 L CA 0.158 54.943 54.840 -0.090 0.000 0.809 351 L CB 1.500 43.477 42.059 -0.136 0.000 1.179 351 L HN 0.878 nan 8.230 nan 0.000 0.429 352 L N 5.383 126.506 121.223 -0.168 0.000 2.537 352 L HA 0.360 4.701 4.340 0.002 0.000 0.224 352 L C -0.057 176.721 176.870 -0.152 0.000 1.065 352 L CA 0.529 55.298 54.840 -0.118 0.000 0.860 352 L CB 0.506 42.518 42.059 -0.080 0.000 1.086 352 L HN 0.851 nan 8.230 nan 0.000 0.482 353 C N -2.767 116.404 119.300 -0.216 0.000 3.241 353 C HA 0.776 5.237 4.460 0.002 0.000 0.348 353 C C 0.822 175.658 174.990 -0.257 0.000 1.180 353 C CA -0.587 58.302 59.018 -0.214 0.000 1.273 353 C CB 0.866 28.481 27.740 -0.208 0.000 1.620 353 C HN 0.837 nan 8.230 nan 0.000 0.510 354 G N 1.608 110.279 108.800 -0.214 0.000 2.583 354 G HA2 0.305 4.266 3.960 0.002 0.000 0.292 354 G HA3 0.305 4.266 3.960 0.002 0.000 0.292 354 G C 1.373 176.164 174.900 -0.183 0.000 1.203 354 G CA 2.545 47.527 45.100 -0.197 0.000 0.987 354 G HN 3.258 nan 8.290 nan 0.000 0.554 355 G N -1.192 107.512 108.800 -0.159 0.000 2.213 355 G HA2 0.041 4.002 3.960 0.002 0.000 0.236 355 G HA3 0.041 4.002 3.960 0.002 0.000 0.236 355 G C 0.251 175.139 174.900 -0.021 0.000 0.991 355 G CA 1.563 46.605 45.100 -0.097 0.000 0.629 355 G HN 2.184 nan 8.290 nan 0.000 0.517 356 E N 0.634 120.812 120.200 -0.037 0.000 2.158 356 E HA 0.652 5.003 4.350 0.002 0.000 0.271 356 E C 0.439 177.038 176.600 -0.002 0.000 0.911 356 E CA -1.065 55.331 56.400 -0.008 0.000 0.767 356 E CB 1.400 31.093 29.700 -0.013 0.000 1.120 356 E HN 0.432 nan 8.360 nan 0.000 0.405 357 R N 2.299 122.814 120.500 0.026 0.000 2.587 357 R HA -0.030 4.311 4.340 0.002 0.000 0.268 357 R C -1.030 175.289 176.300 0.031 0.000 0.978 357 R CA 0.200 56.325 56.100 0.042 0.000 1.097 357 R CB 0.426 30.765 30.300 0.064 0.000 0.917 357 R HN 0.508 nan 8.270 nan 0.000 0.414 358 V N 4.455 124.386 119.914 0.029 0.000 2.409 358 V HA 0.296 4.417 4.120 0.002 0.000 0.291 358 V C -0.487 175.646 176.094 0.065 0.000 1.020 358 V CA -0.406 61.893 62.300 -0.001 0.000 0.848 358 V CB 1.884 33.635 31.823 -0.120 0.000 0.990 358 V HN 0.995 nan 8.190 nan 0.000 0.430 359 T N 0.393 115.025 114.554 0.128 0.000 3.008 359 T HA 0.588 4.939 4.350 0.002 0.000 0.328 359 T C -1.134 173.656 174.700 0.149 0.000 1.020 359 T CA -0.732 61.474 62.100 0.177 0.000 1.043 359 T CB 1.160 70.099 68.868 0.119 0.000 1.010 359 T HN 0.459 nan 8.240 nan 0.000 0.466 360 D N 1.602 122.114 120.400 0.187 0.000 2.896 360 D HA 0.585 5.226 4.640 0.002 0.000 0.241 360 D C 1.124 177.264 176.300 -0.266 0.000 1.188 360 D CA 0.431 54.431 54.000 0.001 0.000 0.879 360 D CB 2.061 42.901 40.800 0.067 0.000 1.553 360 D HN 0.841 nan 8.370 nan 0.000 0.515 361 G N 2.367 111.038 108.800 -0.214 0.000 2.665 361 G HA2 -0.413 3.548 3.960 0.002 0.000 0.326 361 G HA3 -0.413 3.548 3.960 0.002 0.000 0.326 361 G C 1.200 175.933 174.900 -0.277 0.000 1.231 361 G CA 1.503 46.445 45.100 -0.264 0.000 0.992 361 G HN 0.713 nan 8.290 nan 0.000 0.549 362 A N -1.136 121.436 122.820 -0.413 0.000 1.902 362 A HA 0.255 4.577 4.320 0.002 0.000 0.217 362 A C 2.262 179.759 177.584 -0.145 0.000 1.181 362 A CA 2.530 54.407 52.037 -0.266 0.000 0.623 362 A CB -0.584 18.262 19.000 -0.257 0.000 0.818 362 A HN 0.950 nan 8.150 nan 0.000 0.443 363 F N 0.624 120.448 119.950 -0.210 0.000 2.158 363 F HA -0.263 4.266 4.527 0.002 0.000 0.299 363 F C 2.510 178.273 175.800 -0.062 0.000 1.060 363 F CA 0.712 58.499 58.000 -0.355 0.000 1.284 363 F CB -1.561 37.185 39.000 -0.424 0.000 1.035 363 F HN 0.272 nan 8.300 nan 0.000 0.496 364 G N -0.526 108.371 108.800 0.160 0.000 2.470 364 G HA2 -0.220 3.742 3.960 0.002 0.000 0.220 364 G HA3 -0.220 3.742 3.960 0.002 0.000 0.220 364 G C 1.576 176.602 174.900 0.210 0.000 1.121 364 G CA 0.314 45.514 45.100 0.166 0.000 0.766 364 G HN 0.327 nan 8.290 nan 0.000 0.553 365 K N 0.521 121.040 120.400 0.199 0.000 2.505 365 K HA 0.176 4.497 4.320 0.002 0.000 0.192 365 K C 1.117 177.963 176.600 0.410 0.000 1.025 365 K CA 0.114 56.545 56.287 0.240 0.000 1.086 365 K CB 0.521 33.112 32.500 0.151 0.000 0.840 365 K HN 0.279 nan 8.250 nan 0.000 0.514 366 G N -0.014 109.047 108.800 0.436 0.000 3.140 366 G HA2 0.530 4.491 3.960 0.002 0.000 0.271 366 G HA3 0.530 4.491 3.960 0.002 0.000 0.271 366 G C -1.291 173.587 174.900 -0.037 0.000 1.370 366 G CA -0.690 44.592 45.100 0.302 0.000 1.014 366 G HN 0.055 nan 8.290 nan 0.000 0.541 367 A N -0.016 122.466 122.820 -0.563 0.000 3.232 367 A HA 0.640 4.962 4.320 0.002 0.000 0.312 367 A C -1.036 176.325 177.584 -0.371 0.000 1.185 367 A CA -0.517 51.164 52.037 -0.592 0.000 1.011 367 A CB -0.639 17.791 19.000 -0.951 0.000 1.096 367 A HN 0.444 nan 8.150 nan 0.000 0.543 368 Y N -0.100 120.107 120.300 -0.155 0.000 2.320 368 Y HA 0.488 5.039 4.550 0.002 0.000 0.334 368 Y C 0.198 176.059 175.900 -0.065 0.000 1.055 368 Y CA -0.519 57.508 58.100 -0.123 0.000 1.143 368 Y CB 1.721 40.080 38.460 -0.169 0.000 1.193 368 Y HN 0.178 nan 8.280 nan 0.000 0.477 369 V N 3.177 123.158 119.914 0.111 0.000 2.588 369 V HA 0.631 4.752 4.120 0.002 0.000 0.304 369 V C -0.007 176.164 176.094 0.128 0.000 1.042 369 V CA -1.372 60.986 62.300 0.095 0.000 0.877 369 V CB 1.556 33.421 31.823 0.070 0.000 0.996 369 V HN 0.928 nan 8.190 nan 0.000 0.425 370 A N 6.433 129.254 122.820 0.002 0.000 2.498 370 A HA 0.504 4.825 4.320 0.002 0.000 0.239 370 A C -2.393 175.074 177.584 -0.195 0.000 1.068 370 A CA -0.776 51.179 52.037 -0.137 0.000 0.766 370 A CB -0.373 18.532 19.000 -0.158 0.000 1.003 370 A HN 0.662 nan 8.150 nan 0.000 0.497 371 P HA 0.201 nan 4.420 nan 0.000 0.267 371 P C -0.462 176.614 177.300 -0.373 0.000 1.209 371 P CA 0.525 63.296 63.100 -0.549 0.000 0.763 371 P CB 0.631 31.648 31.700 -1.138 0.000 0.816 372 T N 2.742 117.211 114.554 -0.141 0.000 2.829 372 T HA 0.487 4.838 4.350 0.002 0.000 0.280 372 T C -0.446 174.236 174.700 -0.030 0.000 0.999 372 T CA -0.449 61.566 62.100 -0.141 0.000 0.983 372 T CB 1.112 69.922 68.868 -0.098 0.000 0.968 372 T HN -0.014 nan 8.240 nan 0.000 0.446 373 V N 3.759 123.566 119.914 -0.178 0.000 2.577 373 V HA 0.562 4.683 4.120 0.002 0.000 0.303 373 V C -1.220 174.725 176.094 -0.248 0.000 1.042 373 V CA -0.814 61.447 62.300 -0.066 0.000 0.872 373 V CB 1.347 33.166 31.823 -0.008 0.000 0.998 373 V HN 0.792 nan 8.190 nan 0.000 0.423 374 F N 2.491 122.463 119.950 0.036 0.000 2.492 374 F HA 0.779 5.307 4.527 0.002 0.000 0.327 374 F C 0.613 176.421 175.800 0.013 0.000 1.079 374 F CA -0.206 57.806 58.000 0.020 0.000 0.967 374 F CB 2.289 41.302 39.000 0.022 0.000 1.169 374 F HN 0.474 nan 8.300 nan 0.000 0.472 375 T N -0.875 113.810 114.554 0.217 0.000 2.742 375 T HA 0.327 4.679 4.350 0.002 0.000 0.282 375 T C -1.127 173.629 174.700 0.094 0.000 1.025 375 T CA -0.507 61.666 62.100 0.122 0.000 1.020 375 T CB 0.924 69.842 68.868 0.083 0.000 1.317 375 T HN 0.548 nan 8.240 nan 0.000 0.538 376 D N 0.659 121.089 120.400 0.050 0.000 2.704 376 D HA -0.134 4.507 4.640 0.002 0.000 0.232 376 D C 0.102 176.410 176.300 0.013 0.000 1.183 376 D CA 0.385 54.400 54.000 0.025 0.000 0.647 376 D CB -1.684 39.133 40.800 0.029 0.000 1.013 376 D HN 0.571 nan 8.370 nan 0.000 0.415 377 C N 0.188 119.485 119.300 -0.006 0.000 2.470 377 C HA 0.613 5.075 4.460 0.002 0.000 0.350 377 C C 1.077 176.047 174.990 -0.034 0.000 1.341 377 C CA -0.738 58.263 59.018 -0.028 0.000 2.440 377 C CB 1.103 28.816 27.740 -0.044 0.000 2.295 377 C HN 0.279 nan 8.230 nan 0.000 0.645 378 R N 0.489 120.970 120.500 -0.031 0.000 2.855 378 R HA 0.283 4.624 4.340 0.002 0.000 0.266 378 R C -0.143 176.155 176.300 -0.004 0.000 1.034 378 R CA -0.652 55.441 56.100 -0.011 0.000 0.944 378 R CB 0.528 30.828 30.300 0.001 0.000 1.219 378 R HN 0.590 nan 8.270 nan 0.000 0.474 379 D N 0.631 121.044 120.400 0.022 0.000 2.224 379 D HA -0.112 4.530 4.640 0.002 0.000 0.205 379 D C 0.809 177.131 176.300 0.038 0.000 0.965 379 D CA 1.335 55.360 54.000 0.042 0.000 0.852 379 D CB 0.078 40.920 40.800 0.070 0.000 0.947 379 D HN 0.535 nan 8.370 nan 0.000 0.494 380 D N -0.811 119.606 120.400 0.027 0.000 2.339 380 D HA -0.030 4.611 4.640 0.002 0.000 0.217 380 D C 0.640 176.952 176.300 0.020 0.000 1.050 380 D CA -0.099 53.916 54.000 0.026 0.000 0.856 380 D CB -0.420 40.393 40.800 0.021 0.000 0.922 380 D HN 0.111 nan 8.370 nan 0.000 0.518 381 M N 0.571 120.177 119.600 0.009 0.000 2.245 381 M HA 0.076 4.558 4.480 0.002 0.000 0.344 381 M C 1.157 177.472 176.300 0.024 0.000 1.170 381 M CA 0.106 55.404 55.300 -0.003 0.000 1.135 381 M CB 1.039 33.617 32.600 -0.037 0.000 1.574 381 M HN -0.162 nan 8.290 nan 0.000 0.452 382 T N 2.778 117.352 114.554 0.034 0.000 2.720 382 T HA -0.123 4.228 4.350 0.002 0.000 0.268 382 T C 1.561 176.362 174.700 0.168 0.000 1.037 382 T CA 1.751 63.912 62.100 0.102 0.000 1.144 382 T CB -0.395 68.523 68.868 0.083 0.000 0.864 382 T HN 0.758 nan 8.240 nan 0.000 0.444 383 I N -0.821 119.810 120.570 0.101 0.000 2.676 383 I HA 0.014 4.185 4.170 0.002 0.000 0.259 383 I C 2.064 178.187 176.117 0.010 0.000 1.194 383 I CA 0.852 62.190 61.300 0.063 0.000 1.473 383 I CB -0.435 37.532 38.000 -0.055 0.000 1.096 383 I HN -0.005 nan 8.210 nan 0.000 0.443 384 V N 0.910 120.831 119.914 0.011 0.000 2.599 384 V HA 0.038 4.159 4.120 0.002 0.000 0.245 384 V C 2.689 178.818 176.094 0.057 0.000 1.046 384 V CA 1.232 63.540 62.300 0.013 0.000 1.065 384 V CB -0.622 31.195 31.823 -0.010 0.000 0.703 384 V HN 0.365 nan 8.190 nan 0.000 0.464 385 R N -0.120 120.427 120.500 0.077 0.000 2.127 385 R HA 0.092 4.433 4.340 0.002 0.000 0.217 385 R C 0.600 176.995 176.300 0.158 0.000 1.074 385 R CA 0.519 56.685 56.100 0.109 0.000 0.991 385 R CB 0.241 30.594 30.300 0.089 0.000 0.895 385 R HN 0.540 nan 8.270 nan 0.000 0.450 386 E N 0.620 120.907 120.200 0.146 0.000 2.202 386 E HA 0.079 4.431 4.350 0.002 0.000 0.272 386 E C -0.996 175.624 176.600 0.033 0.000 0.951 386 E CA -0.406 56.099 56.400 0.174 0.000 0.813 386 E CB 1.854 31.723 29.700 0.281 0.000 1.151 386 E HN 0.054 nan 8.360 nan 0.000 0.398 387 E N 2.816 123.066 120.200 0.083 0.000 2.344 387 E HA 0.045 4.396 4.350 0.002 0.000 0.270 387 E C -0.028 176.446 176.600 -0.210 0.000 1.021 387 E CA 0.094 56.452 56.400 -0.070 0.000 0.887 387 E CB 0.581 30.218 29.700 -0.103 0.000 0.997 387 E HN 0.521 nan 8.360 nan 0.000 0.429 388 I N 3.840 124.265 120.570 -0.241 0.000 2.899 388 I HA 0.063 4.235 4.170 0.002 0.000 0.257 388 I C 0.139 176.345 176.117 0.148 0.000 1.115 388 I CA -0.139 60.971 61.300 -0.318 0.000 1.451 388 I CB 0.246 38.047 38.000 -0.332 0.000 1.251 388 I HN 0.680 nan 8.210 nan 0.000 0.456 389 F N 2.001 121.964 119.950 0.022 0.000 2.975 389 F HA -0.078 4.450 4.527 0.002 0.000 0.319 389 F C 0.038 175.987 175.800 0.248 0.000 0.976 389 F CA 0.524 58.630 58.000 0.175 0.000 1.072 389 F CB -1.264 37.912 39.000 0.294 0.000 1.165 389 F HN 0.181 nan 8.300 nan 0.000 0.758 390 G N 0.397 109.265 108.800 0.114 0.000 2.523 390 G HA2 0.558 4.519 3.960 0.002 0.000 0.291 390 G HA3 0.558 4.519 3.960 0.002 0.000 0.291 390 G C -3.175 171.798 174.900 0.122 0.000 1.450 390 G CA -0.599 44.544 45.100 0.073 0.000 0.790 390 G HN -0.081 nan 8.290 nan 0.000 0.496 391 P HA 0.279 nan 4.420 nan 0.000 0.235 391 P C -0.489 176.988 177.300 0.295 0.000 1.765 391 P CA 0.011 63.310 63.100 0.332 0.000 1.034 391 P CB 0.192 32.162 31.700 0.450 0.000 1.984 392 V N 3.812 123.849 119.914 0.205 0.000 2.409 392 V HA 0.336 4.457 4.120 0.002 0.000 0.290 392 V C 0.228 176.408 176.094 0.144 0.000 1.017 392 V CA -0.556 61.871 62.300 0.212 0.000 0.841 392 V CB 2.032 33.995 31.823 0.233 0.000 1.003 392 V HN 0.342 nan 8.190 nan 0.000 0.426 393 M N 4.454 124.146 119.600 0.154 0.000 2.061 393 M HA 0.481 4.962 4.480 0.002 0.000 0.346 393 M C -0.340 176.031 176.300 0.117 0.000 1.112 393 M CA 0.033 55.366 55.300 0.055 0.000 1.021 393 M CB 0.952 33.546 32.600 -0.011 0.000 1.530 393 M HN 0.595 nan 8.290 nan 0.000 0.437 394 S N 6.381 122.122 115.700 0.070 0.000 2.513 394 S HA 0.527 4.999 4.470 0.002 0.000 0.276 394 S C -0.261 174.334 174.600 -0.010 0.000 1.254 394 S CA -0.536 57.697 58.200 0.055 0.000 1.053 394 S CB 0.514 63.713 63.200 -0.000 0.000 0.958 394 S HN 0.690 nan 8.310 nan 0.000 0.491 395 I N 3.690 124.269 120.570 0.015 0.000 2.378 395 I HA 0.396 4.567 4.170 0.002 0.000 0.291 395 I C -1.044 175.027 176.117 -0.077 0.000 0.992 395 I CA -0.669 60.627 61.300 -0.007 0.000 1.154 395 I CB 1.196 39.264 38.000 0.114 0.000 1.315 395 I HN 0.357 nan 8.210 nan 0.000 0.448 396 L N 6.954 128.056 121.223 -0.201 0.000 2.356 396 L HA 0.568 4.909 4.340 0.002 0.000 0.277 396 L C -0.138 176.670 176.870 -0.103 0.000 0.996 396 L CA -0.997 53.704 54.840 -0.232 0.000 0.822 396 L CB 1.657 43.390 42.059 -0.543 0.000 1.256 396 L HN 0.275 nan 8.230 nan 0.000 0.413 397 V N 0.788 120.679 119.914 -0.038 0.000 2.881 397 V HA 0.505 4.626 4.120 0.002 0.000 0.303 397 V C -0.456 175.693 176.094 0.092 0.000 1.070 397 V CA -0.494 61.780 62.300 -0.044 0.000 1.074 397 V CB 0.466 32.248 31.823 -0.069 0.000 1.012 397 V HN 0.762 nan 8.190 nan 0.000 0.482 398 Y N -0.658 119.664 120.300 0.038 0.000 2.655 398 Y HA 0.677 5.227 4.550 -0.001 0.000 0.336 398 Y C -0.218 175.655 175.900 -0.046 0.000 1.154 398 Y CA -1.067 57.072 58.100 0.066 0.000 1.055 398 Y CB 1.706 40.274 38.460 0.181 0.000 1.295 398 Y HN 0.419 nan 8.280 nan 0.000 0.465 399 D N -0.118 120.471 120.400 0.315 0.000 2.469 399 D HA 0.052 4.693 4.640 0.002 0.000 0.240 399 D C -0.699 175.855 176.300 0.424 0.000 1.087 399 D CA 0.835 54.931 54.000 0.159 0.000 0.876 399 D CB 0.796 41.645 40.800 0.082 0.000 1.160 399 D HN 0.741 nan 8.370 nan 0.000 0.497 400 D N -0.045 120.629 120.400 0.457 0.000 2.602 400 D HA 0.020 4.661 4.640 0.002 0.000 0.236 400 D C 0.798 177.188 176.300 0.150 0.000 1.209 400 D CA -0.481 53.719 54.000 0.335 0.000 0.831 400 D CB 2.535 43.447 40.800 0.187 0.000 1.478 400 D HN -0.108 nan 8.370 nan 0.000 0.438 401 E N 1.087 121.375 120.200 0.147 0.000 2.048 401 E HA -0.297 4.055 4.350 0.002 0.000 0.202 401 E C 0.773 177.359 176.600 -0.023 0.000 1.021 401 E CA 2.059 58.523 56.400 0.107 0.000 0.825 401 E CB -0.080 29.677 29.700 0.095 0.000 0.756 401 E HN 0.425 nan 8.360 nan 0.000 0.454 402 D N 0.279 120.676 120.400 -0.006 0.000 2.133 402 D HA -0.224 4.417 4.640 0.002 0.000 0.195 402 D C 1.901 178.166 176.300 -0.059 0.000 0.997 402 D CA 1.397 55.382 54.000 -0.025 0.000 0.840 402 D CB -0.348 40.451 40.800 -0.003 0.000 0.947 402 D HN 0.458 nan 8.370 nan 0.000 0.452 403 E N 0.912 121.081 120.200 -0.050 0.000 2.077 403 E HA -0.169 4.182 4.350 0.002 0.000 0.193 403 E C 2.045 178.540 176.600 -0.175 0.000 0.989 403 E CA 1.067 57.435 56.400 -0.053 0.000 0.800 403 E CB 0.015 29.735 29.700 0.032 0.000 0.746 403 E HN 0.133 nan 8.360 nan 0.000 0.452 404 A N 1.354 123.944 122.820 -0.384 0.000 1.883 404 A HA -0.172 4.150 4.320 0.002 0.000 0.217 404 A C 2.231 179.421 177.584 -0.657 0.000 1.186 404 A CA 1.568 53.152 52.037 -0.755 0.000 0.624 404 A CB -0.690 17.577 19.000 -1.222 0.000 0.822 404 A HN 0.340 nan 8.150 nan 0.000 0.444 405 I N -1.283 119.064 120.570 -0.371 0.000 2.142 405 I HA -0.270 3.902 4.170 0.002 0.000 0.240 405 I C 2.691 178.704 176.117 -0.175 0.000 1.078 405 I CA 1.687 62.848 61.300 -0.232 0.000 1.343 405 I CB -0.384 37.558 38.000 -0.096 0.000 1.046 405 I HN 0.335 nan 8.210 nan 0.000 0.405 406 R N 0.898 121.322 120.500 -0.126 0.000 2.136 406 R HA -0.228 4.113 4.340 0.002 0.000 0.242 406 R C 2.529 178.797 176.300 -0.055 0.000 1.131 406 R CA 1.953 58.014 56.100 -0.064 0.000 0.937 406 R CB -0.174 30.105 30.300 -0.035 0.000 0.863 406 R HN 0.304 nan 8.270 nan 0.000 0.435 407 R N -0.552 119.897 120.500 -0.084 0.000 2.115 407 R HA -0.055 4.286 4.340 0.002 0.000 0.230 407 R C 2.280 178.592 176.300 0.020 0.000 1.111 407 R CA 1.076 57.187 56.100 0.018 0.000 0.976 407 R CB -0.335 30.062 30.300 0.162 0.000 0.870 407 R HN 0.283 nan 8.270 nan 0.000 0.445 408 A N 2.046 124.721 122.820 -0.242 0.000 1.940 408 A HA -0.177 4.144 4.320 0.002 0.000 0.219 408 A C 1.698 179.291 177.584 0.015 0.000 1.176 408 A CA 1.505 53.465 52.037 -0.127 0.000 0.631 408 A CB -0.347 18.483 19.000 -0.283 0.000 0.814 408 A HN 0.257 nan 8.150 nan 0.000 0.446 409 N N 0.236 118.932 118.700 -0.007 0.000 2.409 409 N HA -0.049 4.693 4.740 0.002 0.000 0.179 409 N C -0.040 175.504 175.510 0.057 0.000 1.032 409 N CA 0.606 53.676 53.050 0.033 0.000 0.898 409 N CB -0.293 38.206 38.487 0.019 0.000 0.971 409 N HN 0.346 nan 8.380 nan 0.000 0.441 410 D N 1.062 121.498 120.400 0.061 0.000 2.597 410 D HA 0.060 4.701 4.640 0.002 0.000 0.228 410 D C -0.616 175.732 176.300 0.080 0.000 1.120 410 D CA 0.435 54.474 54.000 0.065 0.000 1.083 410 D CB -0.300 40.540 40.800 0.067 0.000 1.116 410 D HN -0.024 nan 8.370 nan 0.000 0.487 411 T N 0.422 115.020 114.554 0.074 0.000 2.957 411 T HA 0.175 4.526 4.350 0.002 0.000 0.336 411 T C 0.535 175.252 174.700 0.027 0.000 1.462 411 T CA -0.635 61.510 62.100 0.075 0.000 1.073 411 T CB 0.991 69.953 68.868 0.158 0.000 1.319 411 T HN 0.004 nan 8.240 nan 0.000 0.485 412 E N 1.357 121.513 120.200 -0.072 0.000 2.338 412 E HA 0.086 4.437 4.350 0.002 0.000 0.197 412 E C -0.285 176.249 176.600 -0.110 0.000 1.007 412 E CA 0.886 57.201 56.400 -0.141 0.000 0.849 412 E CB -0.161 29.381 29.700 -0.262 0.000 0.774 412 E HN 0.497 nan 8.360 nan 0.000 0.506 413 Y N -0.152 120.183 120.300 0.058 0.000 2.316 413 Y HA 0.561 5.112 4.550 0.002 0.000 0.324 413 Y C 1.357 177.301 175.900 0.073 0.000 1.267 413 Y CA -0.655 57.483 58.100 0.062 0.000 1.311 413 Y CB 1.687 40.183 38.460 0.061 0.000 1.267 413 Y HN -0.064 nan 8.280 nan 0.000 0.516 414 G N 1.557 110.519 108.800 0.271 0.000 5.528 414 G HA2 0.177 4.138 3.960 0.002 0.000 0.194 414 G HA3 0.177 4.138 3.960 0.002 0.000 0.194 414 G C -0.045 174.893 174.900 0.064 0.000 0.679 414 G CA -0.176 45.020 45.100 0.160 0.000 0.640 414 G HN 0.550 nan 8.290 nan 0.000 0.397 415 L N 0.794 122.046 121.223 0.048 0.000 2.056 415 L HA 0.800 5.141 4.340 0.002 0.000 0.202 415 L C 1.253 178.065 176.870 -0.097 0.000 1.086 415 L CA 1.994 56.830 54.840 -0.006 0.000 0.758 415 L CB -0.232 41.834 42.059 0.011 0.000 0.912 415 L HN 0.311 nan 8.230 nan 0.000 0.446 416 A N -1.598 121.194 122.820 -0.047 0.000 2.435 416 A HA 0.919 5.240 4.320 0.002 0.000 0.296 416 A C -1.160 176.404 177.584 -0.033 0.000 1.147 416 A CA -0.025 51.928 52.037 -0.141 0.000 0.775 416 A CB 1.324 20.309 19.000 -0.025 0.000 1.340 416 A HN 0.629 nan 8.150 nan 0.000 0.427 417 A N -1.215 121.533 122.820 -0.120 0.000 2.586 417 A HA 0.864 5.185 4.320 0.002 0.000 0.291 417 A C -0.394 177.207 177.584 0.028 0.000 1.062 417 A CA 0.051 52.134 52.037 0.076 0.000 0.666 417 A CB 0.855 19.851 19.000 -0.007 0.000 1.281 417 A HN 2.556 nan 8.150 nan 0.000 0.421 418 G N -1.138 107.825 108.800 0.272 0.000 2.632 418 G HA2 0.761 4.722 3.960 0.002 0.000 0.292 418 G HA3 0.761 4.722 3.960 0.002 0.000 0.292 418 G C -1.141 173.916 174.900 0.262 0.000 1.465 418 G CA 0.254 45.537 45.100 0.306 0.000 0.824 418 G HN 2.169 nan 8.290 nan 0.000 0.509 419 V N -1.898 118.138 119.914 0.203 0.000 2.789 419 V HA 0.874 4.995 4.120 0.002 0.000 0.311 419 V C -0.866 175.330 176.094 0.169 0.000 1.073 419 V CA -1.079 61.310 62.300 0.148 0.000 0.921 419 V CB 1.687 33.652 31.823 0.236 0.000 1.009 419 V HN 0.854 nan 8.190 nan 0.000 0.426 420 V N 3.595 123.597 119.914 0.146 0.000 2.326 420 V HA 0.783 4.904 4.120 0.002 0.000 0.281 420 V C 0.161 176.385 176.094 0.216 0.000 1.015 420 V CA 0.263 62.652 62.300 0.149 0.000 0.823 420 V CB 0.783 32.668 31.823 0.103 0.000 1.009 420 V HN 1.229 nan 8.190 nan 0.000 0.436 421 T N 2.833 117.494 114.554 0.178 0.000 2.821 421 T HA 0.350 4.701 4.350 0.002 0.000 0.306 421 T C -0.076 174.656 174.700 0.053 0.000 1.313 421 T CA -0.329 61.853 62.100 0.137 0.000 1.012 421 T CB 2.411 71.342 68.868 0.105 0.000 1.298 421 T HN 0.608 nan 8.240 nan 0.000 0.502 422 Q N 0.663 120.478 119.800 0.024 0.000 2.247 422 Q HA 0.185 4.526 4.340 0.002 0.000 0.211 422 Q C -0.618 175.371 176.000 -0.018 0.000 0.861 422 Q CA -0.032 55.775 55.803 0.006 0.000 0.949 422 Q CB 0.596 29.341 28.738 0.012 0.000 1.115 422 Q HN 0.580 nan 8.270 nan 0.000 0.507 423 D N 0.436 120.810 120.400 -0.044 0.000 2.225 423 D HA 0.099 4.740 4.640 0.002 0.000 0.248 423 D C 0.623 176.880 176.300 -0.071 0.000 1.096 423 D CA -0.274 53.689 54.000 -0.062 0.000 0.863 423 D CB 1.269 42.011 40.800 -0.095 0.000 1.156 423 D HN -0.077 nan 8.370 nan 0.000 0.450 424 L N 5.254 126.456 121.223 -0.034 0.000 1.961 424 L HA 0.001 4.342 4.340 0.002 0.000 0.210 424 L C 2.046 178.924 176.870 0.013 0.000 1.072 424 L CA 2.331 57.174 54.840 0.006 0.000 0.749 424 L CB -0.830 41.259 42.059 0.051 0.000 0.889 424 L HN 0.582 nan 8.230 nan 0.000 0.432 425 A N -0.138 122.679 122.820 -0.005 0.000 1.884 425 A HA -0.350 3.971 4.320 0.002 0.000 0.219 425 A C 2.584 180.110 177.584 -0.096 0.000 1.197 425 A CA 2.513 54.534 52.037 -0.027 0.000 0.637 425 A CB -0.943 18.031 19.000 -0.044 0.000 0.827 425 A HN 0.579 nan 8.150 nan 0.000 0.450 426 R N -0.732 119.668 120.500 -0.166 0.000 2.096 426 R HA -0.087 4.255 4.340 0.002 0.000 0.235 426 R C 2.372 178.511 176.300 -0.270 0.000 1.127 426 R CA 1.344 57.273 56.100 -0.285 0.000 0.968 426 R CB -0.407 29.625 30.300 -0.447 0.000 0.861 426 R HN 0.504 nan 8.270 nan 0.000 0.440 427 A N 0.575 123.258 122.820 -0.230 0.000 1.883 427 A HA -0.200 4.122 4.320 0.002 0.000 0.217 427 A C 1.877 179.263 177.584 -0.330 0.000 1.186 427 A CA 1.527 53.415 52.037 -0.249 0.000 0.624 427 A CB -0.747 18.063 19.000 -0.317 0.000 0.822 427 A HN 0.408 nan 8.150 nan 0.000 0.444 428 H N -0.590 118.350 119.070 -0.217 0.000 2.307 428 H HA 0.007 4.564 4.556 0.001 0.000 0.303 428 H C 2.387 177.317 175.328 -0.664 0.000 1.073 428 H CA 1.428 57.200 56.048 -0.459 0.000 1.338 428 H CB -0.321 29.230 29.762 -0.351 0.000 1.389 428 H HN 0.399 nan 8.280 nan 0.000 0.503 429 R N 0.719 121.068 120.500 -0.251 0.000 2.113 429 R HA -0.137 4.205 4.340 0.002 0.000 0.244 429 R C 2.402 178.635 176.300 -0.112 0.000 1.142 429 R CA 1.290 57.294 56.100 -0.159 0.000 0.953 429 R CB -0.689 29.552 30.300 -0.097 0.000 0.860 429 R HN 0.277 nan 8.270 nan 0.000 0.438 430 A N 0.982 123.738 122.820 -0.106 0.000 1.873 430 A HA -0.142 4.180 4.320 0.002 0.000 0.215 430 A C 2.167 179.757 177.584 0.011 0.000 1.186 430 A CA 1.114 53.150 52.037 -0.001 0.000 0.616 430 A CB -0.417 18.666 19.000 0.138 0.000 0.823 430 A HN 0.169 nan 8.150 nan 0.000 0.442 431 I N -0.106 120.441 120.570 -0.039 0.000 2.361 431 I HA -0.214 3.957 4.170 0.002 0.000 0.251 431 I C 2.132 178.306 176.117 0.095 0.000 1.133 431 I CA 1.445 62.745 61.300 0.000 0.000 1.413 431 I CB -0.538 37.447 38.000 -0.025 0.000 1.073 431 I HN 0.491 nan 8.210 nan 0.000 0.424 432 H N -0.800 118.283 119.070 0.022 0.000 2.421 432 H HA -0.053 4.506 4.556 0.005 0.000 0.298 432 H C 1.988 177.327 175.328 0.017 0.000 1.087 432 H CA 0.680 56.741 56.048 0.021 0.000 1.330 432 H CB 0.036 29.816 29.762 0.030 0.000 1.388 432 H HN 0.257 nan 8.280 nan 0.000 0.526 433 R N 0.427 121.000 120.500 0.120 0.000 2.240 433 R HA 0.115 4.456 4.340 0.002 0.000 0.203 433 R C 0.039 176.365 176.300 0.043 0.000 1.011 433 R CA 0.003 56.144 56.100 0.069 0.000 1.007 433 R CB 0.335 30.660 30.300 0.042 0.000 0.911 433 R HN 0.155 nan 8.270 nan 0.000 0.468 434 L N 1.772 123.010 121.223 0.025 0.000 2.331 434 L HA 0.106 4.448 4.340 0.002 0.000 0.278 434 L C 0.259 177.109 176.870 -0.034 0.000 1.106 434 L CA 0.055 54.888 54.840 -0.012 0.000 0.824 434 L CB 1.064 43.101 42.059 -0.037 0.000 1.142 434 L HN 0.022 nan 8.230 nan 0.000 0.443 435 E N 3.586 123.785 120.200 -0.002 0.000 2.110 435 E HA 0.365 4.716 4.350 0.002 0.000 0.300 435 E C -0.416 176.071 176.600 -0.189 0.000 1.278 435 E CA -0.310 56.118 56.400 0.048 0.000 1.365 435 E CB 0.507 30.328 29.700 0.202 0.000 1.283 435 E HN 0.614 nan 8.360 nan 0.000 0.490 436 A N -0.303 122.145 122.820 -0.620 0.000 2.498 436 A HA 0.612 4.933 4.320 0.002 0.000 0.298 436 A C 0.909 177.839 177.584 -1.089 0.000 1.075 436 A CA -0.565 51.067 52.037 -0.674 0.000 0.714 436 A CB 1.518 20.320 19.000 -0.329 0.000 1.299 436 A HN 0.396 nan 8.150 nan 0.000 0.407 437 G N -0.012 108.328 108.800 -0.766 0.000 2.712 437 G HA2 0.329 4.290 3.960 0.002 0.000 0.212 437 G HA3 0.329 4.290 3.960 0.002 0.000 0.212 437 G C 0.247 174.924 174.900 -0.371 0.000 1.142 437 G CA 0.538 45.361 45.100 -0.462 0.000 0.789 437 G HN 0.580 nan 8.290 nan 0.000 0.535 438 I N 0.893 121.185 120.570 -0.463 0.000 2.448 438 I HA 0.324 4.495 4.170 0.002 0.000 0.281 438 I C -0.956 174.637 176.117 -0.873 0.000 1.027 438 I CA -0.760 60.140 61.300 -0.665 0.000 1.111 438 I CB 1.840 39.410 38.000 -0.716 0.000 1.236 438 I HN -0.182 nan 8.210 nan 0.000 0.452 439 C N 5.619 124.425 119.300 -0.824 0.000 2.408 439 C HA 0.569 5.030 4.460 0.002 0.000 0.321 439 C C -0.564 174.002 174.990 -0.705 0.000 1.245 439 C CA -0.547 58.085 59.018 -0.644 0.000 1.523 439 C CB 1.530 29.072 27.740 -0.330 0.000 2.178 439 C HN 0.679 nan 8.230 nan 0.000 0.488 440 W N 2.761 123.891 121.300 -0.283 0.000 2.632 440 W HA 0.665 5.325 4.660 -0.000 0.000 0.328 440 W C -0.683 175.780 176.519 -0.093 0.000 1.044 440 W CA -0.992 56.217 57.345 -0.226 0.000 1.225 440 W CB 1.215 30.455 29.460 -0.367 0.000 1.396 440 W HN 0.429 nan 8.180 nan 0.000 0.499 441 I N 4.463 125.139 120.570 0.177 0.000 2.382 441 I HA 0.124 4.295 4.170 0.002 0.000 0.286 441 I C -0.180 176.006 176.117 0.115 0.000 1.002 441 I CA -0.685 60.677 61.300 0.104 0.000 1.135 441 I CB 1.069 39.070 38.000 0.000 0.000 1.288 441 I HN 0.389 nan 8.210 nan 0.000 0.448 442 N N 2.546 121.319 118.700 0.122 0.000 2.727 442 N HA -0.185 4.556 4.740 0.002 0.000 0.249 442 N C -0.257 175.304 175.510 0.085 0.000 1.048 442 N CA 1.169 54.279 53.050 0.100 0.000 0.714 442 N CB -0.962 37.565 38.487 0.066 0.000 0.959 442 N HN 0.799 nan 8.380 nan 0.000 0.544 443 T N -1.782 112.833 114.554 0.103 0.000 2.686 443 T HA 0.534 4.885 4.350 0.002 0.000 0.308 443 T C -2.235 172.403 174.700 -0.103 0.000 1.667 443 T CA -0.650 61.443 62.100 -0.012 0.000 0.987 443 T CB 1.230 70.075 68.868 -0.038 0.000 1.652 443 T HN 0.287 nan 8.240 nan 0.000 0.496 444 W N 0.250 121.157 121.300 -0.656 0.000 3.479 444 W HA 0.438 5.097 4.660 -0.001 0.000 0.304 444 W C 0.650 176.388 176.519 -1.301 0.000 1.243 444 W CA 0.289 56.934 57.345 -1.167 0.000 1.202 444 W CB 1.128 30.240 29.460 -0.579 0.000 1.346 444 W HN 1.393 nan 8.180 nan 0.000 0.539 445 G N 2.238 109.792 108.800 -2.078 0.000 2.253 445 G HA2 -0.301 3.660 3.960 0.002 0.000 0.251 445 G HA3 -0.301 3.660 3.960 0.002 0.000 0.251 445 G C 0.171 174.873 174.900 -0.329 0.000 0.998 445 G CA 0.450 45.050 45.100 -0.832 0.000 0.621 445 G HN 0.482 nan 8.290 nan 0.000 0.524 446 E N 1.006 121.029 120.200 -0.296 0.000 2.344 446 E HA 0.468 4.819 4.350 0.002 0.000 0.270 446 E C -0.185 176.545 176.600 0.217 0.000 1.021 446 E CA 0.419 56.818 56.400 -0.001 0.000 0.887 446 E CB 0.507 30.205 29.700 -0.003 0.000 0.997 446 E HN 0.131 nan 8.360 nan 0.000 0.429 447 S N 5.621 121.417 115.700 0.160 0.000 2.060 447 S HA 0.322 4.793 4.470 0.002 0.000 0.156 447 S C -2.506 172.093 174.600 -0.001 0.000 1.690 447 S CA -1.515 56.770 58.200 0.142 0.000 1.238 447 S CB 0.299 63.655 63.200 0.259 0.000 1.150 447 S HN 0.367 nan 8.310 nan 0.000 0.437 448 P HA 0.146 nan 4.420 nan 0.000 0.265 448 P C 0.842 177.941 177.300 -0.336 0.000 1.187 448 P CA -0.002 63.004 63.100 -0.156 0.000 0.766 448 P CB 0.525 32.143 31.700 -0.137 0.000 0.820 449 A N 2.931 125.483 122.820 -0.447 0.000 2.042 449 A HA -0.258 4.063 4.320 0.002 0.000 0.222 449 A C 1.675 178.617 177.584 -1.071 0.000 1.167 449 A CA 1.875 53.442 52.037 -0.784 0.000 0.649 449 A CB -0.846 17.652 19.000 -0.836 0.000 0.809 449 A HN 0.645 nan 8.150 nan 0.000 0.457 450 E N -1.572 118.165 120.200 -0.772 0.000 2.385 450 E HA 0.182 4.534 4.350 0.002 0.000 0.194 450 E C 0.773 177.214 176.600 -0.265 0.000 1.013 450 E CA 0.033 56.101 56.400 -0.552 0.000 0.866 450 E CB 0.096 29.632 29.700 -0.273 0.000 0.832 450 E HN 0.669 nan 8.360 nan 0.000 0.500 451 M N 2.094 121.539 119.600 -0.259 0.000 2.084 451 M HA 0.272 4.753 4.480 0.002 0.000 0.351 451 M C -2.544 173.663 176.300 -0.156 0.000 1.240 451 M CA -2.470 52.729 55.300 -0.168 0.000 1.083 451 M CB 0.918 33.429 32.600 -0.148 0.000 1.593 451 M HN -0.261 nan 8.290 nan 0.000 0.463 452 P HA 0.101 nan 4.420 nan 0.000 0.267 452 P C -1.338 175.908 177.300 -0.090 0.000 1.205 452 P CA -0.268 62.792 63.100 -0.066 0.000 0.765 452 P CB 0.473 32.158 31.700 -0.025 0.000 0.828 453 V N 0.956 120.828 119.914 -0.071 0.000 2.709 453 V HA 1.030 5.151 4.120 0.002 0.000 0.308 453 V C -0.114 175.971 176.094 -0.014 0.000 1.062 453 V CA -0.422 61.839 62.300 -0.066 0.000 0.901 453 V CB 1.695 33.488 31.823 -0.050 0.000 1.003 453 V HN 0.807 nan 8.190 nan 0.000 0.425 454 G N 1.743 110.531 108.800 -0.020 0.000 2.342 454 G HA2 0.663 4.625 3.960 0.002 0.000 0.297 454 G HA3 0.663 4.625 3.960 0.002 0.000 0.297 454 G C -0.541 174.378 174.900 0.031 0.000 1.313 454 G CA -0.191 44.922 45.100 0.021 0.000 0.830 454 G HN 1.405 nan 8.290 nan 0.000 0.506 455 G N -1.159 107.685 108.800 0.072 0.000 2.371 455 G HA2 0.564 4.525 3.960 0.002 0.000 0.326 455 G HA3 0.564 4.525 3.960 0.002 0.000 0.326 455 G C -0.972 174.062 174.900 0.224 0.000 1.127 455 G CA -0.410 44.760 45.100 0.116 0.000 0.885 455 G HN 0.407 nan 8.290 nan 0.000 0.477 456 Y N 1.305 121.606 120.300 0.003 0.000 2.314 456 Y HA 0.261 4.812 4.550 0.003 0.000 0.334 456 Y C 1.573 177.490 175.900 0.028 0.000 1.266 456 Y CA -0.434 57.669 58.100 0.006 0.000 1.391 456 Y CB 0.884 39.346 38.460 0.003 0.000 1.306 456 Y HN 0.860 nan 8.280 nan 0.000 0.558 457 K N -0.201 120.272 120.400 0.121 0.000 1.957 457 K HA -0.343 3.979 4.320 0.002 0.000 0.155 457 K C 0.468 177.107 176.600 0.064 0.000 1.342 457 K CA 1.780 58.110 56.287 0.072 0.000 0.382 457 K CB -0.911 31.649 32.500 0.100 0.000 0.664 457 K HN 0.745 nan 8.250 nan 0.000 0.799 458 Q N 0.593 120.434 119.800 0.068 0.000 2.212 458 Q HA 0.171 4.512 4.340 0.002 0.000 0.213 458 Q C 0.491 176.585 176.000 0.157 0.000 0.874 458 Q CA 0.093 55.932 55.803 0.060 0.000 0.965 458 Q CB 0.565 29.287 28.738 -0.026 0.000 1.074 458 Q HN 0.312 nan 8.270 nan 0.000 0.473 459 S N -0.253 115.560 115.700 0.189 0.000 2.535 459 S HA 0.261 4.732 4.470 0.002 0.000 0.214 459 S C 0.538 175.211 174.600 0.122 0.000 0.980 459 S CA 0.287 58.599 58.200 0.186 0.000 0.907 459 S CB 0.866 64.170 63.200 0.174 0.000 0.790 459 S HN 0.511 nan 8.310 nan 0.000 0.510 460 G N 0.144 109.005 108.800 0.102 0.000 2.368 460 G HA2 0.470 4.431 3.960 0.002 0.000 0.293 460 G HA3 0.470 4.431 3.960 0.002 0.000 0.293 460 G C -2.123 172.805 174.900 0.047 0.000 1.467 460 G CA -0.546 44.600 45.100 0.078 0.000 0.804 460 G HN 0.036 nan 8.290 nan 0.000 0.535 461 V N 0.899 120.832 119.914 0.032 0.000 2.569 461 V HA 0.834 4.955 4.120 0.002 0.000 0.301 461 V C 0.908 176.988 176.094 -0.023 0.000 1.044 461 V CA 0.838 63.136 62.300 -0.004 0.000 0.874 461 V CB 0.702 32.521 31.823 -0.007 0.000 1.002 461 V HN 2.652 nan 8.190 nan 0.000 0.424 462 G N 5.079 113.841 108.800 -0.064 0.000 2.642 462 G HA2 -0.081 3.880 3.960 0.002 0.000 0.231 462 G HA3 -0.081 3.880 3.960 0.002 0.000 0.231 462 G C -0.748 174.113 174.900 -0.065 0.000 1.338 462 G CA -0.390 44.638 45.100 -0.120 0.000 0.883 462 G HN 0.719 nan 8.290 nan 0.000 0.570 463 R N -0.141 120.317 120.500 -0.070 0.000 2.781 463 R HA 0.724 5.065 4.340 0.002 0.000 0.269 463 R C -0.675 175.645 176.300 0.034 0.000 1.025 463 R CA -0.753 55.338 56.100 -0.016 0.000 0.914 463 R CB 1.737 32.017 30.300 -0.033 0.000 1.236 463 R HN 0.768 nan 8.270 nan 0.000 0.465 464 E N 0.719 120.951 120.200 0.054 0.000 2.336 464 E HA 0.430 4.782 4.350 0.002 0.000 0.267 464 E C -1.001 175.608 176.600 0.014 0.000 0.906 464 E CA -0.617 55.836 56.400 0.089 0.000 0.781 464 E CB 1.291 31.080 29.700 0.148 0.000 1.261 464 E HN 0.507 nan 8.360 nan 0.000 0.436 465 N N 0.022 118.748 118.700 0.043 0.000 5.901 465 N HA -0.154 4.587 4.740 0.002 0.000 0.387 465 N C -0.135 175.419 175.510 0.074 0.000 1.106 465 N CA 1.356 54.384 53.050 -0.037 0.000 2.316 465 N CB -0.914 37.346 38.487 -0.379 0.000 0.641 465 N HN 0.996 nan 8.380 nan 0.000 0.638 466 G N -1.449 107.354 108.800 0.005 0.000 2.829 466 G HA2 -0.176 3.785 3.960 0.002 0.000 0.628 466 G HA3 -0.176 3.785 3.960 0.002 0.000 0.628 466 G C 0.948 176.050 174.900 0.337 0.000 1.412 466 G CA -0.011 45.158 45.100 0.115 0.000 0.864 466 G HN 0.649 nan 8.290 nan 0.000 0.544 467 L N -0.282 121.100 121.223 0.265 0.000 2.093 467 L HA -0.039 4.302 4.340 0.002 0.000 0.208 467 L C 3.265 180.269 176.870 0.223 0.000 1.085 467 L CA 2.071 57.047 54.840 0.225 0.000 0.755 467 L CB -0.789 41.345 42.059 0.124 0.000 0.904 467 L HN 0.838 nan 8.230 nan 0.000 0.435 468 T N -0.895 113.776 114.554 0.195 0.000 2.737 468 T HA -0.213 4.138 4.350 0.002 0.000 0.269 468 T C 1.824 176.711 174.700 0.311 0.000 1.040 468 T CA 2.234 64.468 62.100 0.223 0.000 1.142 468 T CB -0.137 68.834 68.868 0.172 0.000 0.861 468 T HN 0.361 nan 8.240 nan 0.000 0.456 469 T N 1.840 116.562 114.554 0.280 0.000 2.857 469 T HA 0.031 4.382 4.350 0.002 0.000 0.266 469 T C 1.738 176.600 174.700 0.271 0.000 1.048 469 T CA 0.993 63.253 62.100 0.268 0.000 1.139 469 T CB -0.354 68.673 68.868 0.265 0.000 0.874 469 T HN 0.210 nan 8.240 nan 0.000 0.455 470 L N 1.776 123.129 121.223 0.218 0.000 2.046 470 L HA 0.072 4.413 4.340 0.002 0.000 0.208 470 L C 2.616 179.563 176.870 0.130 0.000 1.077 470 L CA 1.869 56.770 54.840 0.100 0.000 0.747 470 L CB -1.133 41.011 42.059 0.140 0.000 0.896 470 L HN 0.220 nan 8.230 nan 0.000 0.432 471 A N -1.258 121.627 122.820 0.109 0.000 1.940 471 A HA -0.273 4.048 4.320 0.002 0.000 0.219 471 A C 1.851 179.379 177.584 -0.092 0.000 1.176 471 A CA 1.932 53.963 52.037 -0.009 0.000 0.631 471 A CB -1.147 17.812 19.000 -0.068 0.000 0.814 471 A HN 0.704 nan 8.150 nan 0.000 0.446 472 H N -3.243 115.846 119.070 0.031 0.000 2.566 472 H HA 0.169 4.726 4.556 0.002 0.000 0.280 472 H C -0.016 175.201 175.328 -0.184 0.000 1.042 472 H CA 0.542 56.554 56.048 -0.060 0.000 1.168 472 H CB -0.125 29.584 29.762 -0.088 0.000 1.340 472 H HN 0.591 nan 8.280 nan 0.000 0.597 473 Y N -0.169 120.165 120.300 0.056 0.000 2.641 473 Y HA 0.136 4.687 4.550 0.002 0.000 0.248 473 Y C 0.700 176.606 175.900 0.010 0.000 1.170 473 Y CA -0.431 57.688 58.100 0.031 0.000 1.201 473 Y CB 0.595 39.054 38.460 -0.002 0.000 1.232 473 Y HN 0.080 nan 8.280 nan 0.000 0.537 474 T N -1.599 113.015 114.554 0.100 0.000 2.930 474 T HA 0.793 5.144 4.350 0.002 0.000 0.290 474 T C -0.516 174.188 174.700 0.007 0.000 1.052 474 T CA -1.079 61.050 62.100 0.048 0.000 1.017 474 T CB 2.276 71.156 68.868 0.020 0.000 1.137 474 T HN 0.158 nan 8.240 nan 0.000 0.511 475 R N 0.826 121.331 120.500 0.008 0.000 2.562 475 R HA 0.709 5.051 4.340 0.002 0.000 0.298 475 R C -0.727 175.564 176.300 -0.014 0.000 0.961 475 R CA -0.872 55.224 56.100 -0.007 0.000 0.881 475 R CB 0.907 31.209 30.300 0.004 0.000 1.159 475 R HN 0.598 nan 8.270 nan 0.000 0.450 476 I N 2.278 122.833 120.570 -0.027 0.000 2.416 476 I HA 0.141 4.313 4.170 0.002 0.000 0.288 476 I C 0.211 176.311 176.117 -0.028 0.000 1.051 476 I CA -0.047 61.237 61.300 -0.027 0.000 1.375 476 I CB 0.823 38.802 38.000 -0.035 0.000 1.407 476 I HN 0.513 nan 8.210 nan 0.000 0.516 477 K N 5.402 125.785 120.400 -0.029 0.000 2.307 477 K HA 0.423 4.745 4.320 0.002 0.000 0.263 477 K C -0.848 175.701 176.600 -0.084 0.000 0.973 477 K CA -0.413 55.843 56.287 -0.051 0.000 0.846 477 K CB 1.208 33.682 32.500 -0.043 0.000 1.100 477 K HN 0.544 nan 8.250 nan 0.000 0.438 478 S N 2.474 118.111 115.700 -0.105 0.000 2.499 478 S HA 0.311 4.783 4.470 0.002 0.000 0.279 478 S C -0.729 173.723 174.600 -0.247 0.000 1.219 478 S CA -0.702 57.407 58.200 -0.152 0.000 1.062 478 S CB 1.274 64.410 63.200 -0.107 0.000 0.978 478 S HN 0.398 nan 8.310 nan 0.000 0.489 479 V N 4.377 124.034 119.914 -0.428 0.000 2.409 479 V HA 0.417 4.538 4.120 0.002 0.000 0.291 479 V C -0.046 175.746 176.094 -0.504 0.000 1.020 479 V CA -0.696 61.264 62.300 -0.567 0.000 0.848 479 V CB 1.511 32.704 31.823 -1.049 0.000 0.990 479 V HN 0.808 nan 8.190 nan 0.000 0.430 480 Q N 3.656 123.254 119.800 -0.337 0.000 2.290 480 Q HA 0.600 4.941 4.340 0.002 0.000 0.259 480 Q C -1.531 174.293 176.000 -0.292 0.000 0.941 480 Q CA -0.482 55.153 55.803 -0.281 0.000 0.912 480 Q CB 1.992 30.636 28.738 -0.157 0.000 1.244 480 Q HN 0.620 nan 8.270 nan 0.000 0.441 481 V N 3.835 123.513 119.914 -0.395 0.000 2.328 481 V HA 0.211 4.333 4.120 0.002 0.000 0.278 481 V C -0.358 175.639 176.094 -0.162 0.000 1.021 481 V CA -0.766 61.336 62.300 -0.330 0.000 0.838 481 V CB 1.187 32.666 31.823 -0.574 0.000 0.999 481 V HN 0.730 nan 8.190 nan 0.000 0.447 482 E N 4.098 124.257 120.200 -0.068 0.000 2.105 482 E HA 0.371 4.722 4.350 0.002 0.000 0.285 482 E C 0.291 176.914 176.600 0.038 0.000 1.055 482 E CA -0.073 56.332 56.400 0.008 0.000 0.843 482 E CB 1.039 30.758 29.700 0.033 0.000 1.067 482 E HN 0.624 nan 8.360 nan 0.000 0.398 483 L N 2.929 124.197 121.223 0.075 0.000 2.554 483 L HA 0.392 4.734 4.340 0.002 0.000 0.225 483 L C 1.243 178.155 176.870 0.070 0.000 1.104 483 L CA 0.197 55.089 54.840 0.086 0.000 0.866 483 L CB 0.184 42.319 42.059 0.126 0.000 1.047 483 L HN 0.547 nan 8.230 nan 0.000 0.468 484 G N -1.062 107.779 108.800 0.069 0.000 3.099 484 G HA2 0.227 4.189 3.960 0.002 0.000 0.151 484 G HA3 0.227 4.189 3.960 0.002 0.000 0.151 484 G C -0.896 174.046 174.900 0.070 0.000 1.265 484 G CA -0.442 44.694 45.100 0.060 0.000 0.981 484 G HN -0.097 nan 8.290 nan 0.000 0.601 485 D N -0.400 120.037 120.400 0.062 0.000 2.339 485 D HA 0.259 4.900 4.640 0.002 0.000 0.245 485 D C -1.187 175.184 176.300 0.118 0.000 1.115 485 D CA 0.288 54.333 54.000 0.075 0.000 0.917 485 D CB 1.758 42.581 40.800 0.038 0.000 1.192 485 D HN 0.155 nan 8.370 nan 0.000 0.428 486 Y N 0.657 120.960 120.300 0.005 0.000 2.335 486 Y HA 0.432 4.984 4.550 0.002 0.000 0.339 486 Y C -0.632 175.270 175.900 0.003 0.000 0.987 486 Y CA -0.996 57.105 58.100 0.003 0.000 1.140 486 Y CB 1.017 39.480 38.460 0.005 0.000 1.173 486 Y HN 0.364 nan 8.280 nan 0.000 0.486 487 A N 4.624 127.084 122.820 -0.601 0.000 2.276 487 A HA 0.585 4.906 4.320 0.002 0.000 0.316 487 A C -0.523 176.664 177.584 -0.662 0.000 1.229 487 A CA -0.451 51.311 52.037 -0.458 0.000 0.851 487 A CB 0.610 19.435 19.000 -0.292 0.000 1.165 487 A HN 0.650 nan 8.150 nan 0.000 0.513 488 S N 1.455 116.959 115.700 -0.327 0.000 2.501 488 S HA 0.398 4.869 4.470 0.002 0.000 0.301 488 S C 1.046 175.535 174.600 -0.186 0.000 1.096 488 S CA -0.110 57.985 58.200 -0.174 0.000 1.063 488 S CB 1.328 64.567 63.200 0.066 0.000 1.042 488 S HN 1.591 nan 8.310 nan 0.000 0.494 489 V N 2.735 122.455 119.914 -0.324 0.000 2.970 489 V HA 0.283 4.404 4.120 0.002 0.000 0.260 489 V C 0.374 176.219 176.094 -0.416 0.000 1.100 489 V CA 0.717 62.750 62.300 -0.446 0.000 1.122 489 V CB -1.304 30.155 31.823 -0.606 0.000 0.721 489 V HN 0.616 nan 8.190 nan 0.000 0.483 490 F N 0.000 119.944 119.950 -0.009 0.000 2.286 490 F HA 0.000 4.528 4.527 0.002 0.000 0.279 490 F CA 0.000 58.000 58.000 0.000 0.000 1.383 490 F CB 0.000 39.006 39.000 0.010 0.000 1.145 490 F HN 0.000 nan 8.300 nan 0.000 0.574