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 3lns_1_C DATA FIRST_RESID 2 DATA SEQUENCE NYLSPAKIDS LFSAQKAYFA TRATADVGFR KQSLERLKEA VINNKEALYS DATA SEQUENCE ALAEDLGKPK DVVDLAEIGA VLHEIDFALA HLDEWVAPVS VPSPDIIAPS DATA SEQUENCE ECYVVQEPYG VTYIIGPFNY PVNLTLTPLI GAIIGGNTCI IKPSETTPET DATA SEQUENCE SAVIEKIIAE AFAPEYVAVI QGGRDENSHL LSLPFDFIFF TGSPNVGKVV DATA SEQUENCE MQAAAKHLTP VVLELGGKCP LIVLPDADLD QTVNQLMFGK FINSGQTXIA DATA SEQUENCE PDYLYVHYSV KDALLERLVE RVKTELPEIN STGKLVTERQ VQRLVSLLEA DATA SEQUENCE TQGQVLVGSQ ADVSKRALSA TVVDGVEWND PLMSEELFGP ILPVLEFDSV DATA SEQUENCE RTAIDQVNKH HPKPLAVYVF GKDMDVAKGI INQIQSGDAQ VNGVMLHAFS DATA SEQUENCE PYLPFGGIGA SGMGEYHGHF SYLTFTHKKS VRIVP 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.541 175.510 0.052 0.000 1.280 2 N CA 0.000 53.015 53.050 -0.059 0.000 0.885 2 N CB 0.000 38.389 38.487 -0.164 0.000 1.341 3 Y N 1.307 121.626 120.300 0.032 0.000 2.578 3 Y HA 0.152 4.702 4.550 0.000 0.000 0.339 3 Y C 0.678 176.599 175.900 0.034 0.000 1.231 3 Y CA -0.847 57.277 58.100 0.040 0.000 1.461 3 Y CB 0.381 38.865 38.460 0.041 0.000 1.323 3 Y HN 0.268 nan 8.280 nan 0.000 0.590 4 L N 2.687 124.038 121.223 0.214 0.000 2.506 4 L HA -0.069 4.271 4.340 -0.000 0.000 0.281 4 L C 0.540 177.465 176.870 0.091 0.000 1.228 4 L CA 0.208 55.121 54.840 0.123 0.000 0.850 4 L CB 0.278 42.398 42.059 0.103 0.000 1.110 4 L HN 0.669 nan 8.230 nan 0.000 0.496 5 S N 2.869 118.599 115.700 0.050 0.000 2.603 5 S HA 0.366 4.836 4.470 -0.000 0.000 0.268 5 S C -1.819 172.754 174.600 -0.044 0.000 1.317 5 S CA -1.071 57.132 58.200 0.004 0.000 1.012 5 S CB 0.597 63.797 63.200 0.001 0.000 0.926 5 S HN 0.506 nan 8.310 nan 0.000 0.539 6 P HA -0.172 nan 4.420 nan 0.000 0.216 6 P C 1.662 178.897 177.300 -0.108 0.000 1.157 6 P CA 2.190 65.090 63.100 -0.334 0.000 0.880 6 P CB -0.299 31.122 31.700 -0.466 0.000 0.791 7 A N -0.318 122.470 122.820 -0.053 0.000 1.883 7 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 7 A C 2.177 179.782 177.584 0.036 0.000 1.186 7 A CA 1.807 53.847 52.037 0.005 0.000 0.624 7 A CB -1.064 17.939 19.000 0.004 0.000 0.822 7 A HN 0.049 nan 8.150 nan 0.000 0.444 8 K N -0.343 120.078 120.400 0.035 0.000 2.057 8 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 8 K C 1.882 178.531 176.600 0.081 0.000 1.049 8 K CA 1.279 57.599 56.287 0.056 0.000 0.931 8 K CB -0.582 31.951 32.500 0.055 0.000 0.714 8 K HN 0.623 nan 8.250 nan 0.000 0.440 9 I N 1.517 122.142 120.570 0.091 0.000 2.076 9 I HA -0.327 3.843 4.170 -0.000 0.000 0.237 9 I C 1.884 178.091 176.117 0.150 0.000 1.059 9 I CA 1.467 62.849 61.300 0.136 0.000 1.317 9 I CB -0.414 37.700 38.000 0.191 0.000 1.037 9 I HN 0.109 nan 8.210 nan 0.000 0.398 10 D N 0.392 120.890 120.400 0.162 0.000 2.154 10 D HA -0.255 4.385 4.640 -0.000 0.000 0.190 10 D C 2.270 178.650 176.300 0.135 0.000 1.003 10 D CA 1.990 56.063 54.000 0.120 0.000 0.849 10 D CB -0.518 40.343 40.800 0.102 0.000 0.942 10 D HN 0.275 nan 8.370 nan 0.000 0.446 11 S N -0.388 115.375 115.700 0.105 0.000 2.370 11 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 11 S C 1.887 176.548 174.600 0.101 0.000 1.033 11 S CA 0.726 58.980 58.200 0.090 0.000 1.011 11 S CB -0.323 62.918 63.200 0.068 0.000 0.852 11 S HN 0.132 nan 8.310 nan 0.000 0.457 12 L N 0.618 121.909 121.223 0.114 0.000 2.046 12 L HA 0.114 4.454 4.340 -0.000 0.000 0.208 12 L C 2.027 178.969 176.870 0.119 0.000 1.077 12 L CA 1.806 56.712 54.840 0.111 0.000 0.747 12 L CB -1.381 40.751 42.059 0.121 0.000 0.896 12 L HN 0.478 nan 8.230 nan 0.000 0.432 13 F N -0.200 119.732 119.950 -0.029 0.000 2.065 13 F HA -0.296 4.231 4.527 0.000 0.000 0.298 13 F C 2.626 178.385 175.800 -0.068 0.000 1.112 13 F CA 2.035 59.971 58.000 -0.107 0.000 1.212 13 F CB -0.564 38.305 39.000 -0.218 0.000 0.975 13 F HN 0.077 nan 8.300 nan 0.000 0.476 14 S N 0.379 116.142 115.700 0.105 0.000 2.359 14 S HA -0.302 4.168 4.470 -0.000 0.000 0.223 14 S C 2.286 176.879 174.600 -0.012 0.000 1.039 14 S CA 1.414 59.632 58.200 0.031 0.000 1.042 14 S CB -1.103 62.145 63.200 0.080 0.000 0.915 14 S HN 0.566 nan 8.310 nan 0.000 0.439 15 A N 1.147 123.981 122.820 0.023 0.000 1.940 15 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 15 A C 2.132 179.753 177.584 0.062 0.000 1.176 15 A CA 1.538 53.602 52.037 0.045 0.000 0.631 15 A CB -0.577 18.450 19.000 0.046 0.000 0.814 15 A HN 0.577 nan 8.150 nan 0.000 0.446 16 Q N -0.654 119.141 119.800 -0.008 0.000 2.079 16 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 16 Q C 1.969 177.984 176.000 0.024 0.000 0.974 16 Q CA 1.133 56.951 55.803 0.026 0.000 0.840 16 Q CB -0.197 28.496 28.738 -0.075 0.000 0.898 16 Q HN 0.488 nan 8.270 nan 0.000 0.430 17 K N 0.922 121.225 120.400 -0.162 0.000 1.991 17 K HA -0.144 4.176 4.320 -0.000 0.000 0.212 17 K C 2.121 178.763 176.600 0.070 0.000 1.049 17 K CA 1.354 57.590 56.287 -0.085 0.000 0.932 17 K CB -0.663 31.732 32.500 -0.175 0.000 0.717 17 K HN 0.165 nan 8.250 nan 0.000 0.441 18 A N 0.800 123.652 122.820 0.054 0.000 1.873 18 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 18 A C 2.246 179.900 177.584 0.116 0.000 1.193 18 A CA 1.920 54.002 52.037 0.076 0.000 0.629 18 A CB -1.173 17.871 19.000 0.074 0.000 0.826 18 A HN 0.457 nan 8.150 nan 0.000 0.447 19 Y N -1.322 119.002 120.300 0.040 0.000 2.114 19 Y HA -0.282 4.269 4.550 0.000 0.000 0.282 19 Y C 2.149 178.083 175.900 0.056 0.000 1.165 19 Y CA 2.273 60.403 58.100 0.050 0.000 1.148 19 Y CB -0.369 38.149 38.460 0.097 0.000 0.972 19 Y HN 0.374 nan 8.280 nan 0.000 0.504 20 F N 0.695 120.620 119.950 -0.043 0.000 2.126 20 F HA -0.221 4.306 4.527 0.000 0.000 0.299 20 F C 2.297 178.008 175.800 -0.149 0.000 1.096 20 F CA 1.533 59.458 58.000 -0.124 0.000 1.255 20 F CB -0.921 38.066 39.000 -0.023 0.000 0.997 20 F HN 0.060 nan 8.300 nan 0.000 0.479 21 A N -0.856 121.853 122.820 -0.185 0.000 2.131 21 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 21 A C 2.116 179.530 177.584 -0.283 0.000 1.158 21 A CA 1.963 53.852 52.037 -0.245 0.000 0.665 21 A CB -1.418 17.543 19.000 -0.065 0.000 0.795 21 A HN 0.450 nan 8.150 nan 0.000 0.460 22 T N -1.004 113.375 114.554 -0.292 0.000 2.929 22 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 22 T C 0.876 175.362 174.700 -0.356 0.000 1.085 22 T CA 1.108 63.038 62.100 -0.283 0.000 1.125 22 T CB -0.256 68.436 68.868 -0.293 0.000 0.874 22 T HN 0.667 nan 8.240 nan 0.000 0.494 23 R N -1.336 118.865 120.500 -0.499 0.000 3.908 23 R HA -0.205 4.135 4.340 -0.000 0.000 0.381 23 R C 1.471 177.480 176.300 -0.484 0.000 1.135 23 R CA 0.362 56.175 56.100 -0.477 0.000 0.990 23 R CB -1.999 28.109 30.300 -0.319 0.000 1.557 23 R HN 0.430 nan 8.270 nan 0.000 0.535 24 A N 0.553 122.984 122.820 -0.649 0.000 1.978 24 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 24 A C 2.027 178.960 177.584 -1.084 0.000 1.170 24 A CA 2.008 53.566 52.037 -0.799 0.000 0.636 24 A CB -0.447 17.907 19.000 -1.076 0.000 0.810 24 A HN 0.562 nan 8.150 nan 0.000 0.448 25 T N -3.552 110.497 114.554 -0.841 0.000 3.144 25 T HA 0.534 4.884 4.350 -0.000 0.000 0.249 25 T C 1.443 176.048 174.700 -0.158 0.000 1.089 25 T CA 0.826 62.566 62.100 -0.601 0.000 0.989 25 T CB 0.193 69.064 68.868 0.004 0.000 0.992 25 T HN 0.435 nan 8.240 nan 0.000 0.540 26 A N 2.628 125.324 122.820 -0.206 0.000 1.854 26 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 26 A C 1.313 178.912 177.584 0.026 0.000 1.192 26 A CA 0.924 52.925 52.037 -0.060 0.000 0.611 26 A CB -0.555 18.379 19.000 -0.110 0.000 0.832 26 A HN 0.782 nan 8.150 nan 0.000 0.442 27 D N -0.407 120.000 120.400 0.012 0.000 2.341 27 D HA 0.109 4.749 4.640 -0.000 0.000 0.245 27 D C 1.044 177.422 176.300 0.130 0.000 1.106 27 D CA 0.120 54.157 54.000 0.061 0.000 0.905 27 D CB 1.654 42.474 40.800 0.033 0.000 1.202 27 D HN 0.007 nan 8.370 nan 0.000 0.426 28 V N 3.613 123.586 119.914 0.099 0.000 2.407 28 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 28 V C 2.285 178.435 176.094 0.094 0.000 1.055 28 V CA 2.566 64.925 62.300 0.099 0.000 1.049 28 V CB -0.721 31.128 31.823 0.043 0.000 0.662 28 V HN 0.838 nan 8.190 nan 0.000 0.455 29 G N -0.818 108.030 108.800 0.081 0.000 2.476 29 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.218 29 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.218 29 G C 1.555 176.515 174.900 0.099 0.000 1.164 29 G CA 1.253 46.394 45.100 0.068 0.000 0.768 29 G HN 0.603 nan 8.290 nan 0.000 0.560 30 F N 1.805 121.760 119.950 0.007 0.000 2.134 30 F HA -0.015 4.512 4.527 0.000 0.000 0.299 30 F C 2.921 178.743 175.800 0.037 0.000 1.097 30 F CA 1.622 59.623 58.000 0.003 0.000 1.264 30 F CB -0.062 38.920 39.000 -0.030 0.000 1.001 30 F HN 0.005 nan 8.300 nan 0.000 0.479 31 R N 0.565 121.193 120.500 0.213 0.000 2.073 31 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 31 R C 2.180 178.501 176.300 0.035 0.000 1.134 31 R CA 1.857 58.047 56.100 0.149 0.000 0.952 31 R CB -0.596 29.851 30.300 0.246 0.000 0.850 31 R HN 0.281 nan 8.270 nan 0.000 0.433 32 K N 1.030 121.446 120.400 0.027 0.000 2.032 32 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 32 K C 2.270 178.853 176.600 -0.028 0.000 1.048 32 K CA 2.072 58.357 56.287 -0.004 0.000 0.927 32 K CB -0.133 32.354 32.500 -0.021 0.000 0.712 32 K HN 0.216 nan 8.250 nan 0.000 0.441 33 Q N 0.453 120.211 119.800 -0.069 0.000 2.224 33 Q HA -0.048 4.292 4.340 -0.000 0.000 0.203 33 Q C 1.744 177.697 176.000 -0.078 0.000 0.970 33 Q CA 1.941 57.693 55.803 -0.084 0.000 0.865 33 Q CB -0.325 28.356 28.738 -0.095 0.000 0.922 33 Q HN -0.004 nan 8.270 nan 0.000 0.445 34 S N 0.711 116.332 115.700 -0.131 0.000 2.370 34 S HA -0.058 4.412 4.470 -0.000 0.000 0.226 34 S C 1.762 176.522 174.600 0.267 0.000 1.033 34 S CA 1.361 59.631 58.200 0.116 0.000 1.011 34 S CB -0.345 62.871 63.200 0.027 0.000 0.852 34 S HN 0.373 nan 8.310 nan 0.000 0.457 35 L N 1.374 122.678 121.223 0.135 0.000 2.027 35 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 35 L C 2.688 179.597 176.870 0.065 0.000 1.074 35 L CA 1.050 55.965 54.840 0.126 0.000 0.745 35 L CB -0.646 41.465 42.059 0.086 0.000 0.898 35 L HN 0.222 nan 8.230 nan 0.000 0.433 36 E N 0.458 120.669 120.200 0.018 0.000 2.114 36 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 36 E C 2.257 178.830 176.600 -0.044 0.000 1.008 36 E CA 1.414 57.803 56.400 -0.019 0.000 0.810 36 E CB -0.277 29.403 29.700 -0.033 0.000 0.739 36 E HN 0.480 nan 8.360 nan 0.000 0.456 37 R N 0.126 120.590 120.500 -0.060 0.000 2.075 37 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 37 R C 2.539 178.696 176.300 -0.238 0.000 1.126 37 R CA 0.860 56.857 56.100 -0.171 0.000 0.963 37 R CB -0.518 29.631 30.300 -0.252 0.000 0.858 37 R HN 0.103 nan 8.270 nan 0.000 0.435 38 L N 1.930 123.070 121.223 -0.138 0.000 2.042 38 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 38 L C 2.269 179.111 176.870 -0.047 0.000 1.076 38 L CA 1.879 56.683 54.840 -0.061 0.000 0.749 38 L CB -0.492 41.690 42.059 0.204 0.000 0.893 38 L HN 0.022 nan 8.230 nan 0.000 0.432 39 K N -0.295 120.089 120.400 -0.026 0.000 2.026 39 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 39 K C 2.068 178.635 176.600 -0.056 0.000 1.048 39 K CA 1.857 58.125 56.287 -0.032 0.000 0.929 39 K CB -0.262 32.223 32.500 -0.025 0.000 0.713 39 K HN 0.711 nan 8.250 nan 0.000 0.439 40 E N 0.013 120.171 120.200 -0.071 0.000 2.106 40 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 40 E C 1.799 178.350 176.600 -0.082 0.000 0.984 40 E CA 0.999 57.355 56.400 -0.072 0.000 0.806 40 E CB -0.222 29.434 29.700 -0.073 0.000 0.750 40 E HN 0.338 nan 8.360 nan 0.000 0.458 41 A N 1.315 124.069 122.820 -0.110 0.000 1.933 41 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 41 A C 2.440 179.976 177.584 -0.080 0.000 1.175 41 A CA 1.318 53.289 52.037 -0.110 0.000 0.628 41 A CB -0.604 18.297 19.000 -0.166 0.000 0.814 41 A HN 0.212 nan 8.150 nan 0.000 0.444 42 V N 0.197 120.070 119.914 -0.070 0.000 2.307 42 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 42 V C 2.407 178.458 176.094 -0.072 0.000 1.045 42 V CA 2.005 64.269 62.300 -0.060 0.000 1.024 42 V CB -0.629 31.169 31.823 -0.042 0.000 0.651 42 V HN 0.582 nan 8.190 nan 0.000 0.449 43 I N 0.524 121.055 120.570 -0.065 0.000 2.264 43 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 43 I C 2.143 178.225 176.117 -0.059 0.000 1.111 43 I CA 1.350 62.613 61.300 -0.060 0.000 1.382 43 I CB -0.474 37.496 38.000 -0.050 0.000 1.060 43 I HN 0.348 nan 8.210 nan 0.000 0.418 44 N N 0.918 119.583 118.700 -0.058 0.000 2.550 44 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 44 N C 0.706 176.184 175.510 -0.054 0.000 1.110 44 N CA 0.813 53.833 53.050 -0.050 0.000 0.912 44 N CB -0.135 38.322 38.487 -0.050 0.000 0.968 44 N HN 0.461 nan 8.380 nan 0.000 0.448 45 N N -0.224 118.432 118.700 -0.073 0.000 2.241 45 N HA 0.109 4.849 4.740 -0.000 0.000 0.238 45 N C 0.782 176.204 175.510 -0.145 0.000 1.244 45 N CA -0.128 52.873 53.050 -0.083 0.000 0.880 45 N CB 0.882 39.330 38.487 -0.065 0.000 1.179 45 N HN 0.148 nan 8.380 nan 0.000 0.513 46 K N 1.229 121.519 120.400 -0.183 0.000 2.034 46 K HA -0.151 4.169 4.320 -0.000 0.000 0.214 46 K C 1.358 177.642 176.600 -0.527 0.000 1.051 46 K CA 1.268 57.326 56.287 -0.382 0.000 0.931 46 K CB 0.175 32.518 32.500 -0.261 0.000 0.715 46 K HN 0.122 nan 8.250 nan 0.000 0.446 47 E N 0.326 120.412 120.200 -0.190 0.000 2.077 47 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 47 E C 2.038 178.626 176.600 -0.020 0.000 0.989 47 E CA 1.263 57.664 56.400 0.002 0.000 0.800 47 E CB -0.267 29.478 29.700 0.076 0.000 0.746 47 E HN 0.349 nan 8.360 nan 0.000 0.452 48 A N 1.035 123.821 122.820 -0.056 0.000 1.972 48 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 48 A C 2.367 179.926 177.584 -0.042 0.000 1.169 48 A CA 0.912 52.933 52.037 -0.027 0.000 0.635 48 A CB -0.564 18.420 19.000 -0.027 0.000 0.810 48 A HN 0.158 nan 8.150 nan 0.000 0.446 49 L N -1.921 119.221 121.223 -0.135 0.000 2.044 49 L HA -0.167 4.173 4.340 -0.000 0.000 0.205 49 L C 2.576 179.409 176.870 -0.062 0.000 1.075 49 L CA 1.184 55.943 54.840 -0.136 0.000 0.747 49 L CB -0.691 41.230 42.059 -0.229 0.000 0.903 49 L HN 0.425 nan 8.230 nan 0.000 0.435 50 Y N 0.159 120.467 120.300 0.014 0.000 2.053 50 Y HA -0.286 4.264 4.550 0.000 0.000 0.277 50 Y C 2.990 178.897 175.900 0.013 0.000 1.159 50 Y CA 1.342 59.449 58.100 0.012 0.000 1.125 50 Y CB -1.244 37.222 38.460 0.009 0.000 0.969 50 Y HN 0.101 nan 8.280 nan 0.000 0.492 51 S N -0.119 115.687 115.700 0.177 0.000 2.353 51 S HA -0.261 4.209 4.470 -0.000 0.000 0.222 51 S C 2.370 177.015 174.600 0.074 0.000 1.035 51 S CA 1.295 59.557 58.200 0.103 0.000 1.025 51 S CB -0.875 62.370 63.200 0.075 0.000 0.902 51 S HN 0.527 nan 8.310 nan 0.000 0.440 52 A N 1.077 123.931 122.820 0.058 0.000 1.908 52 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 52 A C 2.142 179.759 177.584 0.055 0.000 1.181 52 A CA 1.286 53.351 52.037 0.048 0.000 0.627 52 A CB -0.689 18.332 19.000 0.035 0.000 0.818 52 A HN 0.460 nan 8.150 nan 0.000 0.445 53 L N -1.161 120.099 121.223 0.062 0.000 2.179 53 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 53 L C 3.042 179.946 176.870 0.058 0.000 1.096 53 L CA 0.692 55.567 54.840 0.058 0.000 0.779 53 L CB -0.425 41.668 42.059 0.058 0.000 0.922 53 L HN 0.442 nan 8.230 nan 0.000 0.443 54 A N 0.135 122.997 122.820 0.070 0.000 1.877 54 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 54 A C 2.169 179.780 177.584 0.044 0.000 1.186 54 A CA 1.944 54.014 52.037 0.055 0.000 0.620 54 A CB -0.458 18.577 19.000 0.058 0.000 0.822 54 A HN 0.358 nan 8.150 nan 0.000 0.443 55 E N 0.465 120.692 120.200 0.046 0.000 2.038 55 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 55 E C 1.435 178.059 176.600 0.041 0.000 1.000 55 E CA 1.909 58.333 56.400 0.040 0.000 0.803 55 E CB -0.266 29.458 29.700 0.040 0.000 0.750 55 E HN 0.544 nan 8.360 nan 0.000 0.448 56 D N -0.856 119.574 120.400 0.049 0.000 2.149 56 D HA -0.026 4.614 4.640 -0.000 0.000 0.201 56 D C 1.400 177.737 176.300 0.062 0.000 0.972 56 D CA 0.997 55.031 54.000 0.057 0.000 0.835 56 D CB 0.255 41.099 40.800 0.073 0.000 0.966 56 D HN 0.257 nan 8.370 nan 0.000 0.476 57 L N -1.690 119.566 121.223 0.055 0.000 3.217 57 L HA 0.278 4.618 4.340 -0.000 0.000 0.288 57 L C 0.950 177.841 176.870 0.035 0.000 1.202 57 L CA 0.114 54.986 54.840 0.055 0.000 1.027 57 L CB 1.290 43.378 42.059 0.048 0.000 1.427 57 L HN 0.042 nan 8.230 nan 0.000 0.600 58 G N 1.377 110.196 108.800 0.032 0.000 2.176 58 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 58 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 58 G C 0.123 175.037 174.900 0.024 0.000 1.024 58 G CA 0.025 45.141 45.100 0.027 0.000 0.755 58 G HN 0.307 nan 8.290 nan 0.000 0.507 59 K N 0.833 121.247 120.400 0.024 0.000 2.379 59 K HA 0.321 4.641 4.320 -0.000 0.000 0.284 59 K C -2.231 174.389 176.600 0.034 0.000 1.044 59 K CA -1.367 54.935 56.287 0.024 0.000 0.974 59 K CB 0.859 33.370 32.500 0.017 0.000 0.962 59 K HN 0.101 nan 8.250 nan 0.000 0.474 60 P HA 0.013 nan 4.420 nan 0.000 0.271 60 P C 0.554 177.856 177.300 0.002 0.000 1.218 60 P CA -0.239 62.865 63.100 0.007 0.000 0.780 60 P CB 0.724 32.432 31.700 0.013 0.000 0.901 61 K N 1.597 121.951 120.400 -0.076 0.000 2.074 61 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 61 K C 0.986 177.540 176.600 -0.077 0.000 1.048 61 K CA 1.801 57.968 56.287 -0.199 0.000 0.926 61 K CB -0.240 31.988 32.500 -0.453 0.000 0.713 61 K HN 0.376 nan 8.250 nan 0.000 0.444 62 D N -0.129 120.238 120.400 -0.054 0.000 2.218 62 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 62 D C 1.733 178.052 176.300 0.031 0.000 0.976 62 D CA 0.707 54.699 54.000 -0.013 0.000 0.853 62 D CB 0.159 40.945 40.800 -0.022 0.000 0.939 62 D HN 0.053 nan 8.370 nan 0.000 0.481 63 V N 0.060 120.006 119.914 0.055 0.000 2.446 63 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 63 V C 2.525 178.685 176.094 0.110 0.000 1.039 63 V CA 0.643 62.998 62.300 0.091 0.000 1.045 63 V CB -0.172 31.711 31.823 0.101 0.000 0.681 63 V HN 0.044 nan 8.190 nan 0.000 0.459 64 V N 0.329 120.320 119.914 0.128 0.000 2.469 64 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 64 V C 2.186 178.378 176.094 0.164 0.000 1.064 64 V CA 2.056 64.456 62.300 0.166 0.000 1.066 64 V CB -0.673 31.310 31.823 0.267 0.000 0.667 64 V HN 0.533 nan 8.190 nan 0.000 0.461 65 D N -0.492 120.005 120.400 0.162 0.000 2.183 65 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 65 D C 1.845 178.174 176.300 0.049 0.000 0.969 65 D CA 0.856 54.932 54.000 0.126 0.000 0.842 65 D CB 0.075 40.943 40.800 0.113 0.000 0.957 65 D HN 0.408 nan 8.370 nan 0.000 0.484 66 L N 0.372 121.597 121.223 0.003 0.000 2.071 66 L HA 0.157 4.497 4.340 -0.000 0.000 0.201 66 L C 1.875 178.618 176.870 -0.213 0.000 1.076 66 L CA 1.690 56.453 54.840 -0.129 0.000 0.755 66 L CB -0.546 41.427 42.059 -0.143 0.000 0.915 66 L HN -0.070 nan 8.230 nan 0.000 0.445 67 A N -1.778 121.025 122.820 -0.029 0.000 2.195 67 A HA 0.139 4.459 4.320 -0.000 0.000 0.210 67 A C 1.811 179.548 177.584 0.254 0.000 1.165 67 A CA 0.501 52.628 52.037 0.150 0.000 0.806 67 A CB -0.159 19.122 19.000 0.468 0.000 0.847 67 A HN 0.537 nan 8.150 nan 0.000 0.482 68 E N -0.447 119.854 120.200 0.169 0.000 2.645 68 E HA 0.191 4.541 4.350 -0.000 0.000 0.198 68 E C 1.838 178.494 176.600 0.093 0.000 1.091 68 E CA 0.129 56.622 56.400 0.155 0.000 1.096 68 E CB -0.442 29.336 29.700 0.130 0.000 2.013 68 E HN 0.424 nan 8.360 nan 0.000 0.537 69 I N 1.817 122.423 120.570 0.060 0.000 2.099 69 I HA -0.192 3.978 4.170 -0.000 0.000 0.239 69 I C 2.540 178.676 176.117 0.031 0.000 1.066 69 I CA 1.706 63.020 61.300 0.023 0.000 1.324 69 I CB -0.700 37.293 38.000 -0.011 0.000 1.037 69 I HN 0.221 nan 8.210 nan 0.000 0.401 70 G N 0.355 109.186 108.800 0.053 0.000 2.442 70 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 70 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 70 G C 1.857 176.886 174.900 0.214 0.000 1.141 70 G CA 0.881 46.040 45.100 0.099 0.000 0.763 70 G HN 0.510 nan 8.290 nan 0.000 0.554 71 A N 0.386 123.275 122.820 0.116 0.000 1.877 71 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 71 A C 2.710 180.352 177.584 0.096 0.000 1.186 71 A CA 2.454 54.561 52.037 0.116 0.000 0.620 71 A CB -0.890 18.209 19.000 0.165 0.000 0.822 71 A HN 0.969 nan 8.150 nan 0.000 0.443 72 V N -0.690 119.269 119.914 0.074 0.000 2.453 72 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 72 V C 2.171 178.291 176.094 0.042 0.000 1.048 72 V CA 1.949 64.282 62.300 0.055 0.000 1.049 72 V CB -0.572 31.285 31.823 0.056 0.000 0.672 72 V HN 0.485 nan 8.190 nan 0.000 0.457 73 L N -0.095 121.131 121.223 0.005 0.000 2.046 73 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 73 L C 2.684 179.504 176.870 -0.083 0.000 1.077 73 L CA 2.271 57.071 54.840 -0.067 0.000 0.747 73 L CB -0.890 41.078 42.059 -0.152 0.000 0.896 73 L HN 0.411 nan 8.230 nan 0.000 0.432 74 H N -0.910 118.169 119.070 0.014 0.000 2.321 74 H HA -0.203 4.353 4.556 -0.000 0.000 0.300 74 H C 2.228 177.592 175.328 0.060 0.000 1.087 74 H CA 1.570 57.635 56.048 0.028 0.000 1.319 74 H CB 0.077 29.835 29.762 -0.007 0.000 1.379 74 H HN 0.194 nan 8.280 nan 0.000 0.501 75 E N 0.774 121.057 120.200 0.139 0.000 2.085 75 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 75 E C 2.006 178.718 176.600 0.186 0.000 0.994 75 E CA 1.043 57.510 56.400 0.113 0.000 0.801 75 E CB -0.258 29.456 29.700 0.023 0.000 0.743 75 E HN 0.452 nan 8.360 nan 0.000 0.453 76 I N 0.870 121.516 120.570 0.127 0.000 2.127 76 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 76 I C 1.759 177.938 176.117 0.102 0.000 1.075 76 I CA 1.508 62.874 61.300 0.110 0.000 1.334 76 I CB -0.349 37.688 38.000 0.062 0.000 1.040 76 I HN 0.135 nan 8.210 nan 0.000 0.405 77 D N 0.452 120.905 120.400 0.087 0.000 2.144 77 D HA -0.209 4.431 4.640 -0.000 0.000 0.199 77 D C 1.960 178.322 176.300 0.104 0.000 0.984 77 D CA 1.275 55.313 54.000 0.062 0.000 0.834 77 D CB -0.371 40.454 40.800 0.042 0.000 0.955 77 D HN 0.265 nan 8.370 nan 0.000 0.465 78 F N 1.578 121.560 119.950 0.054 0.000 2.171 78 F HA -0.146 4.381 4.527 0.000 0.000 0.300 78 F C 2.214 178.069 175.800 0.093 0.000 1.090 78 F CA 1.381 59.440 58.000 0.098 0.000 1.293 78 F CB -0.005 39.032 39.000 0.062 0.000 1.013 78 F HN -0.075 nan 8.300 nan 0.000 0.486 79 A N 0.300 123.249 122.820 0.216 0.000 1.873 79 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 79 A C 2.215 179.670 177.584 -0.215 0.000 1.186 79 A CA 1.561 53.631 52.037 0.055 0.000 0.616 79 A CB -1.122 18.047 19.000 0.281 0.000 0.823 79 A HN 0.447 nan 8.150 nan 0.000 0.442 80 L N -0.685 120.469 121.223 -0.114 0.000 2.131 80 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 80 L C 2.914 179.615 176.870 -0.281 0.000 1.092 80 L CA 0.998 55.744 54.840 -0.158 0.000 0.759 80 L CB -0.337 41.669 42.059 -0.088 0.000 0.903 80 L HN 0.438 nan 8.230 nan 0.000 0.435 81 A N -1.358 121.256 122.820 -0.344 0.000 2.119 81 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 81 A C 1.546 178.607 177.584 -0.872 0.000 1.153 81 A CA 1.227 52.950 52.037 -0.524 0.000 0.692 81 A CB -0.524 18.174 19.000 -0.505 0.000 0.799 81 A HN 0.514 nan 8.150 nan 0.000 0.458 82 H N -2.804 115.735 119.070 -0.884 0.000 3.241 82 H HA 0.233 4.789 4.556 -0.000 0.000 0.260 82 H C 1.417 175.896 175.328 -1.414 0.000 1.084 82 H CA -0.009 55.271 56.048 -1.281 0.000 1.203 82 H CB 0.347 28.993 29.762 -1.859 0.000 1.524 82 H HN 0.303 nan 8.280 nan 0.000 0.521 83 L N 1.152 121.845 121.223 -0.883 0.000 2.079 83 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 83 L C 1.175 177.832 176.870 -0.355 0.000 1.081 83 L CA 1.762 56.279 54.840 -0.538 0.000 0.752 83 L CB -0.271 41.654 42.059 -0.224 0.000 0.896 83 L HN 0.187 nan 8.230 nan 0.000 0.433 84 D N -0.554 119.654 120.400 -0.320 0.000 2.149 84 D HA -0.240 4.400 4.640 -0.000 0.000 0.198 84 D C 2.063 178.250 176.300 -0.187 0.000 0.990 84 D CA 1.429 55.306 54.000 -0.205 0.000 0.839 84 D CB 0.036 40.722 40.800 -0.189 0.000 0.948 84 D HN 0.553 nan 8.370 nan 0.000 0.460 85 E N -0.550 119.486 120.200 -0.274 0.000 2.046 85 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 85 E C 1.860 178.432 176.600 -0.047 0.000 0.982 85 E CA 0.569 56.868 56.400 -0.167 0.000 0.800 85 E CB -0.006 29.581 29.700 -0.187 0.000 0.756 85 E HN 0.254 nan 8.360 nan 0.000 0.449 86 W N 0.308 121.426 121.300 -0.304 0.000 2.364 86 W HA -0.103 4.556 4.660 -0.000 0.000 0.281 86 W C 2.010 178.304 176.519 -0.375 0.000 1.219 86 W CA 0.323 57.393 57.345 -0.458 0.000 1.220 86 W CB -0.852 28.121 29.460 -0.812 0.000 1.127 86 W HN 0.042 nan 8.180 nan 0.000 0.556 87 V N 0.223 120.113 119.914 -0.039 0.000 3.506 87 V HA 0.217 4.337 4.120 -0.000 0.000 0.263 87 V C 1.111 177.268 176.094 0.104 0.000 1.203 87 V CA 0.478 62.814 62.300 0.060 0.000 1.133 87 V CB -0.920 30.926 31.823 0.038 0.000 0.802 87 V HN -0.017 nan 8.190 nan 0.000 0.459 88 A N 1.583 124.442 122.820 0.065 0.000 2.404 88 A HA 0.516 4.836 4.320 -0.000 0.000 0.273 88 A C -2.167 175.464 177.584 0.078 0.000 1.144 88 A CA -1.031 51.033 52.037 0.046 0.000 0.806 88 A CB -0.311 18.697 19.000 0.013 0.000 1.080 88 A HN 0.260 nan 8.150 nan 0.000 0.509 89 P HA 0.116 nan 4.420 nan 0.000 0.264 89 P C -0.654 176.684 177.300 0.063 0.000 1.179 89 P CA 0.156 63.298 63.100 0.070 0.000 0.763 89 P CB 0.455 32.121 31.700 -0.057 0.000 0.806 90 V N 3.169 123.163 119.914 0.133 0.000 2.347 90 V HA 0.209 4.329 4.120 -0.000 0.000 0.280 90 V C 0.531 176.715 176.094 0.150 0.000 1.021 90 V CA -0.360 62.012 62.300 0.119 0.000 0.847 90 V CB 1.061 32.961 31.823 0.129 0.000 0.990 90 V HN 0.684 nan 8.190 nan 0.000 0.444 91 S N 5.596 121.358 115.700 0.103 0.000 2.580 91 S HA 0.740 5.210 4.470 -0.000 0.000 0.274 91 S C -0.288 174.378 174.600 0.109 0.000 1.329 91 S CA -0.403 57.875 58.200 0.130 0.000 1.036 91 S CB 1.706 64.946 63.200 0.066 0.000 0.919 91 S HN 1.148 nan 8.310 nan 0.000 0.515 92 V N -1.422 118.558 119.914 0.111 0.000 3.160 92 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 92 V C -3.039 173.093 176.094 0.063 0.000 1.181 92 V CA -2.511 59.835 62.300 0.076 0.000 1.047 92 V CB 0.297 32.160 31.823 0.067 0.000 1.068 92 V HN 0.775 nan 8.190 nan 0.000 0.441 93 P HA 0.443 nan 4.420 nan 0.000 0.272 93 P C -0.666 176.655 177.300 0.034 0.000 1.240 93 P CA -0.063 63.060 63.100 0.038 0.000 0.791 93 P CB 0.547 32.266 31.700 0.032 0.000 0.978 94 S N 1.205 116.923 115.700 0.030 0.000 2.552 94 S HA 0.494 4.964 4.470 -0.000 0.000 0.314 94 S C -2.346 172.265 174.600 0.019 0.000 1.099 94 S CA -0.928 57.286 58.200 0.023 0.000 1.070 94 S CB 0.568 63.782 63.200 0.024 0.000 0.998 94 S HN 0.342 nan 8.310 nan 0.000 0.474 95 P HA 0.193 nan 4.420 nan 0.000 0.270 95 P C 0.347 177.654 177.300 0.012 0.000 1.223 95 P CA -0.341 62.766 63.100 0.013 0.000 0.785 95 P CB 0.512 32.218 31.700 0.011 0.000 0.923 96 D N 0.480 120.886 120.400 0.010 0.000 2.178 96 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 96 D C 1.709 178.014 176.300 0.008 0.000 0.980 96 D CA 1.154 55.160 54.000 0.009 0.000 0.842 96 D CB -0.233 40.573 40.800 0.009 0.000 0.948 96 D HN 0.484 nan 8.370 nan 0.000 0.472 97 I N -0.501 120.073 120.570 0.007 0.000 2.700 97 I HA -0.121 4.049 4.170 -0.000 0.000 0.261 97 I C 2.091 178.211 176.117 0.005 0.000 1.219 97 I CA 1.022 62.325 61.300 0.006 0.000 1.463 97 I CB -0.566 37.437 38.000 0.005 0.000 1.092 97 I HN -0.028 nan 8.210 nan 0.000 0.452 98 I N -1.311 119.263 120.570 0.006 0.000 4.025 98 I HA 0.563 4.733 4.170 -0.000 0.000 0.336 98 I C 0.991 177.113 176.117 0.007 0.000 1.390 98 I CA -0.678 60.625 61.300 0.005 0.000 1.099 98 I CB -0.092 37.910 38.000 0.003 0.000 1.049 98 I HN 0.054 nan 8.210 nan 0.000 0.394 99 A N 2.940 125.765 122.820 0.009 0.000 2.371 99 A HA 0.650 4.970 4.320 -0.000 0.000 0.257 99 A C -2.168 175.422 177.584 0.010 0.000 1.089 99 A CA -0.899 51.144 52.037 0.011 0.000 0.794 99 A CB -0.532 18.474 19.000 0.011 0.000 1.029 99 A HN 0.310 nan 8.150 nan 0.000 0.488 100 P HA 0.562 nan 4.420 nan 0.000 0.279 100 P C -0.644 176.665 177.300 0.016 0.000 1.239 100 P CA -0.289 62.819 63.100 0.014 0.000 0.789 100 P CB 1.417 33.125 31.700 0.014 0.000 0.933 101 S N 0.267 115.979 115.700 0.020 0.000 2.556 101 S HA 0.313 4.783 4.470 -0.000 0.000 0.280 101 S C -1.689 172.933 174.600 0.036 0.000 1.141 101 S CA -0.673 57.541 58.200 0.023 0.000 0.883 101 S CB 1.081 64.290 63.200 0.015 0.000 1.103 101 S HN 0.453 nan 8.310 nan 0.000 0.453 102 E N 1.456 121.686 120.200 0.049 0.000 2.210 102 E HA 0.590 4.940 4.350 -0.000 0.000 0.266 102 E C -1.283 175.377 176.600 0.099 0.000 0.883 102 E CA -0.583 55.867 56.400 0.083 0.000 0.761 102 E CB 1.624 31.385 29.700 0.102 0.000 1.156 102 E HN 0.533 nan 8.360 nan 0.000 0.412 103 C N 2.491 121.859 119.300 0.114 0.000 2.802 103 C HA 0.757 5.217 4.460 -0.000 0.000 0.307 103 C C -1.217 173.885 174.990 0.186 0.000 1.222 103 C CA -0.849 58.203 59.018 0.057 0.000 1.580 103 C CB 0.301 28.049 27.740 0.014 0.000 2.119 103 C HN 0.877 nan 8.230 nan 0.000 0.479 104 Y N -0.411 119.898 120.300 0.014 0.000 2.713 104 Y HA 0.732 5.282 4.550 -0.000 0.000 0.335 104 Y C -1.118 174.790 175.900 0.013 0.000 1.222 104 Y CA -1.272 56.838 58.100 0.017 0.000 1.061 104 Y CB 0.634 39.105 38.460 0.019 0.000 1.314 104 Y HN 0.654 nan 8.280 nan 0.000 0.453 105 V N 1.292 121.334 119.914 0.213 0.000 2.680 105 V HA 0.901 5.021 4.120 -0.000 0.000 0.309 105 V C -1.660 174.539 176.094 0.175 0.000 1.052 105 V CA -0.765 61.593 62.300 0.097 0.000 0.908 105 V CB 1.471 33.317 31.823 0.039 0.000 1.001 105 V HN 0.855 nan 8.190 nan 0.000 0.431 106 V N 5.645 125.611 119.914 0.087 0.000 2.581 106 V HA 0.526 4.646 4.120 -0.000 0.000 0.303 106 V C -0.397 175.677 176.094 -0.033 0.000 1.041 106 V CA -0.592 61.761 62.300 0.089 0.000 0.907 106 V CB 1.927 33.804 31.823 0.089 0.000 0.994 106 V HN 0.954 nan 8.190 nan 0.000 0.442 107 Q N 3.428 123.236 119.800 0.013 0.000 2.390 107 Q HA 0.340 4.680 4.340 -0.000 0.000 0.249 107 Q C -0.321 175.591 176.000 -0.147 0.000 0.996 107 Q CA -0.037 55.699 55.803 -0.113 0.000 0.899 107 Q CB 1.733 30.439 28.738 -0.053 0.000 1.216 107 Q HN 0.810 nan 8.270 nan 0.000 0.465 108 E N 4.106 124.128 120.200 -0.297 0.000 2.191 108 E HA 0.376 4.726 4.350 -0.000 0.000 0.278 108 E C -2.383 174.151 176.600 -0.110 0.000 0.972 108 E CA -2.246 54.061 56.400 -0.155 0.000 0.804 108 E CB 1.304 30.915 29.700 -0.150 0.000 1.110 108 E HN 0.151 nan 8.360 nan 0.000 0.394 109 P HA -0.083 nan 4.420 nan 0.000 0.266 109 P C -0.540 176.779 177.300 0.032 0.000 1.193 109 P CA 0.445 63.590 63.100 0.075 0.000 0.770 109 P CB 0.307 32.190 31.700 0.305 0.000 0.836 110 Y N 1.238 121.570 120.300 0.054 0.000 2.231 110 Y HA 0.138 4.689 4.550 0.000 0.000 0.294 110 Y C 2.088 177.876 175.900 -0.186 0.000 1.120 110 Y CA 2.136 60.236 58.100 0.000 0.000 1.141 110 Y CB -0.575 37.894 38.460 0.015 0.000 1.022 110 Y HN 0.652 nan 8.280 nan 0.000 0.523 111 G N -1.054 107.546 108.800 -0.333 0.000 1.812 111 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.053 111 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.053 111 G C -1.310 173.201 174.900 -0.648 0.000 0.844 111 G CA -0.352 44.026 45.100 -1.204 0.000 1.151 111 G HN -0.105 nan 8.290 nan 0.000 0.362 112 V N 2.945 122.682 119.914 -0.294 0.000 2.333 112 V HA 0.608 4.728 4.120 -0.000 0.000 0.274 112 V C 0.776 177.056 176.094 0.311 0.000 1.028 112 V CA 0.357 62.621 62.300 -0.061 0.000 0.851 112 V CB 0.451 32.111 31.823 -0.271 0.000 1.000 112 V HN 1.151 nan 8.190 nan 0.000 0.456 113 T N 2.060 116.826 114.554 0.354 0.000 2.952 113 T HA 0.667 5.017 4.350 -0.000 0.000 0.286 113 T C -1.020 173.899 174.700 0.365 0.000 1.024 113 T CA -0.679 61.688 62.100 0.445 0.000 1.029 113 T CB 1.955 71.119 68.868 0.495 0.000 1.094 113 T HN 0.438 nan 8.240 nan 0.000 0.515 114 Y N 1.213 121.425 120.300 -0.146 0.000 2.346 114 Y HA 0.632 5.182 4.550 -0.000 0.000 0.332 114 Y C -1.474 174.339 175.900 -0.145 0.000 0.985 114 Y CA -2.357 55.467 58.100 -0.459 0.000 1.112 114 Y CB 0.951 38.496 38.460 -1.525 0.000 1.170 114 Y HN 0.750 nan 8.280 nan 0.000 0.447 115 I N 7.894 128.340 120.570 -0.208 0.000 2.362 115 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 115 I C -0.597 175.295 176.117 -0.376 0.000 0.994 115 I CA -0.576 60.606 61.300 -0.197 0.000 1.158 115 I CB 1.295 39.267 38.000 -0.046 0.000 1.315 115 I HN 0.501 nan 8.210 nan 0.000 0.451 116 I N 5.708 126.062 120.570 -0.361 0.000 2.321 116 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 116 I C 0.750 176.788 176.117 -0.132 0.000 0.998 116 I CA -0.268 60.883 61.300 -0.247 0.000 1.227 116 I CB 1.417 39.359 38.000 -0.095 0.000 1.368 116 I HN 0.585 nan 8.210 nan 0.000 0.466 117 G N 6.968 115.726 108.800 -0.071 0.000 2.389 117 G HA2 0.684 4.644 3.960 -0.000 0.000 0.317 117 G HA3 0.684 4.644 3.960 -0.000 0.000 0.317 117 G C -2.827 172.054 174.900 -0.032 0.000 1.137 117 G CA -1.211 43.865 45.100 -0.040 0.000 0.870 117 G HN 0.289 nan 8.290 nan 0.000 0.496 118 P HA 0.274 nan 4.420 nan 0.000 0.280 118 P C 0.546 177.890 177.300 0.073 0.000 1.272 118 P CA -0.872 62.222 63.100 -0.010 0.000 0.819 118 P CB 0.855 32.502 31.700 -0.089 0.000 1.122 119 F N 0.856 120.857 119.950 0.086 0.000 2.234 119 F HA -0.075 4.452 4.527 0.000 0.000 0.296 119 F C 1.670 177.538 175.800 0.114 0.000 1.089 119 F CA 1.280 59.338 58.000 0.097 0.000 1.343 119 F CB -1.524 37.534 39.000 0.098 0.000 1.040 119 F HN 0.145 nan 8.300 nan 0.000 0.498 120 N N 0.111 118.152 118.700 -1.100 0.000 2.244 120 N HA -0.219 4.521 4.740 -0.000 0.000 0.183 120 N C -0.212 175.079 175.510 -0.364 0.000 1.016 120 N CA 1.427 53.946 53.050 -0.886 0.000 0.866 120 N CB -0.932 37.112 38.487 -0.738 0.000 0.980 120 N HN 0.567 nan 8.380 nan 0.000 0.430 121 Y N -0.469 119.742 120.300 -0.148 0.000 2.490 121 Y HA 0.401 4.951 4.550 -0.000 0.000 0.346 121 Y C -1.824 174.079 175.900 0.004 0.000 1.023 121 Y CA -1.889 56.192 58.100 -0.033 0.000 1.142 121 Y CB 1.996 40.450 38.460 -0.010 0.000 1.126 121 Y HN 0.002 nan 8.280 nan 0.000 0.647 122 P HA -0.185 nan 4.420 nan 0.000 0.216 122 P C 1.551 178.906 177.300 0.092 0.000 1.150 122 P CA 1.303 64.456 63.100 0.089 0.000 0.837 122 P CB 0.427 32.177 31.700 0.083 0.000 0.786 123 V N 0.196 120.167 119.914 0.095 0.000 2.323 123 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 123 V C 2.424 178.580 176.094 0.104 0.000 1.041 123 V CA 1.997 64.347 62.300 0.084 0.000 1.025 123 V CB -1.391 30.471 31.823 0.065 0.000 0.656 123 V HN 0.181 nan 8.190 nan 0.000 0.451 124 N N 0.996 119.784 118.700 0.147 0.000 2.084 124 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 124 N C 1.505 177.101 175.510 0.143 0.000 1.030 124 N CA 1.708 54.846 53.050 0.148 0.000 0.849 124 N CB -0.248 38.349 38.487 0.184 0.000 1.012 124 N HN 0.481 nan 8.380 nan 0.000 0.423 125 L N 0.478 121.790 121.223 0.148 0.000 2.612 125 L HA 0.116 4.456 4.340 -0.000 0.000 0.230 125 L C 1.632 178.553 176.870 0.085 0.000 1.140 125 L CA 0.591 55.518 54.840 0.146 0.000 0.896 125 L CB -0.135 42.003 42.059 0.132 0.000 1.065 125 L HN 0.297 nan 8.230 nan 0.000 0.447 126 T N -4.773 109.820 114.554 0.065 0.000 3.058 126 T HA 0.155 4.505 4.350 -0.000 0.000 0.247 126 T C 1.617 176.323 174.700 0.010 0.000 0.987 126 T CA -0.061 62.054 62.100 0.024 0.000 1.062 126 T CB -0.060 68.829 68.868 0.036 0.000 1.048 126 T HN 0.122 nan 8.240 nan 0.000 0.468 127 L N 1.155 122.403 121.223 0.043 0.000 2.209 127 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 127 L C 2.919 179.817 176.870 0.045 0.000 1.094 127 L CA 1.079 55.945 54.840 0.043 0.000 0.790 127 L CB -0.833 41.263 42.059 0.061 0.000 0.932 127 L HN 0.303 nan 8.230 nan 0.000 0.447 128 T N 0.434 115.039 114.554 0.085 0.000 2.674 128 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 128 T C -0.515 174.269 174.700 0.139 0.000 1.039 128 T CA 1.301 63.488 62.100 0.145 0.000 1.150 128 T CB -1.139 67.858 68.868 0.215 0.000 0.864 128 T HN 0.185 nan 8.240 nan 0.000 0.427 129 P HA -0.046 nan 4.420 nan 0.000 0.216 129 P C 1.643 178.726 177.300 -0.361 0.000 1.150 129 P CA 0.600 63.469 63.100 -0.385 0.000 0.837 129 P CB -0.210 30.963 31.700 -0.880 0.000 0.786 130 L N -0.822 120.267 121.223 -0.225 0.000 2.131 130 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 130 L C 2.085 178.818 176.870 -0.228 0.000 1.092 130 L CA 1.637 56.336 54.840 -0.236 0.000 0.759 130 L CB -1.120 40.874 42.059 -0.108 0.000 0.903 130 L HN -0.124 nan 8.230 nan 0.000 0.435 131 I N -0.376 120.136 120.570 -0.097 0.000 2.163 131 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 131 I C 2.536 178.615 176.117 -0.063 0.000 1.085 131 I CA 1.416 62.713 61.300 -0.005 0.000 1.347 131 I CB -1.258 36.804 38.000 0.103 0.000 1.044 131 I HN 0.433 nan 8.210 nan 0.000 0.408 132 G N 0.552 109.244 108.800 -0.180 0.000 2.459 132 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 132 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 132 G C 1.878 176.267 174.900 -0.851 0.000 1.183 132 G CA 0.978 45.894 45.100 -0.306 0.000 0.776 132 G HN 0.505 nan 8.290 nan 0.000 0.552 133 A N 0.679 122.561 122.820 -1.564 0.000 1.892 133 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 133 A C 2.449 179.866 177.584 -0.279 0.000 1.188 133 A CA 1.621 53.086 52.037 -0.954 0.000 0.631 133 A CB -0.418 18.200 19.000 -0.636 0.000 0.822 133 A HN 0.410 nan 8.150 nan 0.000 0.447 134 I N 0.205 120.657 120.570 -0.196 0.000 2.133 134 I HA -0.235 3.935 4.170 -0.000 0.000 0.238 134 I C 2.491 178.711 176.117 0.171 0.000 1.074 134 I CA 1.775 63.092 61.300 0.028 0.000 1.342 134 I CB -0.385 37.635 38.000 0.032 0.000 1.053 134 I HN 0.583 nan 8.210 nan 0.000 0.404 135 I N -0.956 119.722 120.570 0.181 0.000 2.614 135 I HA -0.049 4.121 4.170 -0.000 0.000 0.258 135 I C 2.219 178.604 176.117 0.447 0.000 1.189 135 I CA 1.534 63.032 61.300 0.331 0.000 1.462 135 I CB -1.024 37.226 38.000 0.416 0.000 1.092 135 I HN 0.127 nan 8.210 nan 0.000 0.442 136 G N 0.989 109.970 108.800 0.302 0.000 2.559 136 G HA2 0.143 4.103 3.960 -0.000 0.000 0.216 136 G HA3 0.143 4.103 3.960 -0.000 0.000 0.216 136 G C 1.357 176.393 174.900 0.226 0.000 1.126 136 G CA 0.494 45.722 45.100 0.214 0.000 0.778 136 G HN 0.891 nan 8.290 nan 0.000 0.543 137 G N -0.617 108.351 108.800 0.280 0.000 2.137 137 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.237 137 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.237 137 G C 0.211 175.324 174.900 0.356 0.000 1.002 137 G CA 0.079 45.371 45.100 0.320 0.000 0.702 137 G HN 0.526 nan 8.290 nan 0.000 0.515 138 N N 0.055 118.915 118.700 0.266 0.000 2.478 138 N HA 0.615 5.355 4.740 -0.000 0.000 0.275 138 N C 0.797 176.435 175.510 0.213 0.000 1.221 138 N CA 0.392 53.545 53.050 0.172 0.000 0.979 138 N CB 1.046 39.602 38.487 0.115 0.000 1.202 138 N HN 0.488 nan 8.380 nan 0.000 0.564 139 T N -2.905 111.718 114.554 0.115 0.000 2.884 139 T HA 0.561 4.911 4.350 -0.000 0.000 0.277 139 T C -0.141 174.539 174.700 -0.032 0.000 0.976 139 T CA -0.623 61.512 62.100 0.059 0.000 0.956 139 T CB 1.119 70.100 68.868 0.189 0.000 1.113 139 T HN 0.625 nan 8.240 nan 0.000 0.554 140 C N 0.732 119.985 119.300 -0.079 0.000 3.046 140 C HA 0.633 5.093 4.460 -0.000 0.000 0.388 140 C C -1.377 173.659 174.990 0.076 0.000 1.041 140 C CA -0.817 58.204 59.018 0.004 0.000 1.241 140 C CB -0.292 27.375 27.740 -0.122 0.000 1.638 140 C HN 0.938 nan 8.230 nan 0.000 0.539 141 I N 6.191 126.906 120.570 0.242 0.000 2.378 141 I HA 0.516 4.686 4.170 -0.000 0.000 0.291 141 I C -0.355 175.946 176.117 0.308 0.000 0.992 141 I CA -0.380 61.093 61.300 0.289 0.000 1.154 141 I CB 1.467 39.724 38.000 0.429 0.000 1.315 141 I HN 0.495 nan 8.210 nan 0.000 0.448 142 I N 6.632 127.326 120.570 0.207 0.000 2.378 142 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 142 I C -0.019 176.201 176.117 0.172 0.000 0.992 142 I CA -0.628 60.756 61.300 0.141 0.000 1.154 142 I CB 1.511 39.555 38.000 0.073 0.000 1.315 142 I HN 0.446 nan 8.210 nan 0.000 0.448 143 K N 8.510 129.000 120.400 0.150 0.000 2.354 143 K HA 0.448 4.768 4.320 -0.000 0.000 0.257 143 K C -2.598 174.037 176.600 0.058 0.000 1.062 143 K CA -1.649 54.720 56.287 0.136 0.000 0.971 143 K CB 1.192 33.830 32.500 0.231 0.000 1.305 143 K HN 0.182 nan 8.250 nan 0.000 0.449 144 P HA -0.027 nan 4.420 nan 0.000 0.274 144 P C -0.544 176.799 177.300 0.072 0.000 1.260 144 P CA -0.413 62.725 63.100 0.063 0.000 0.793 144 P CB 0.603 32.348 31.700 0.076 0.000 1.048 145 S N -0.283 115.475 115.700 0.096 0.000 2.548 145 S HA 0.037 4.507 4.470 -0.000 0.000 0.277 145 S C 1.194 175.866 174.600 0.120 0.000 1.315 145 S CA -0.373 57.900 58.200 0.121 0.000 1.050 145 S CB -0.195 63.115 63.200 0.184 0.000 0.918 145 S HN 0.528 nan 8.310 nan 0.000 0.497 146 E N 2.874 123.141 120.200 0.112 0.000 2.478 146 E HA -0.055 4.295 4.350 -0.000 0.000 0.198 146 E C 0.789 177.463 176.600 0.123 0.000 1.046 146 E CA 0.855 57.337 56.400 0.138 0.000 0.870 146 E CB -0.306 29.496 29.700 0.169 0.000 0.818 146 E HN 0.620 nan 8.360 nan 0.000 0.527 147 T N 0.817 115.435 114.554 0.107 0.000 3.148 147 T HA -0.016 4.334 4.350 -0.000 0.000 0.253 147 T C 0.565 175.313 174.700 0.080 0.000 1.134 147 T CA 1.119 63.257 62.100 0.064 0.000 1.051 147 T CB 0.128 69.001 68.868 0.010 0.000 0.959 147 T HN 0.321 nan 8.240 nan 0.000 0.525 148 T N -0.185 114.441 114.554 0.120 0.000 3.401 148 T HA 0.359 4.709 4.350 -0.000 0.000 0.341 148 T C -2.440 172.320 174.700 0.101 0.000 1.674 148 T CA -1.610 60.561 62.100 0.118 0.000 1.600 148 T CB 1.373 70.335 68.868 0.157 0.000 0.974 148 T HN -0.104 nan 8.240 nan 0.000 0.672 149 P HA -0.112 nan 4.420 nan 0.000 0.214 149 P C 1.608 178.953 177.300 0.075 0.000 1.163 149 P CA 1.066 64.218 63.100 0.087 0.000 0.889 149 P CB 0.284 32.025 31.700 0.069 0.000 0.790 150 E N -0.928 119.310 120.200 0.063 0.000 2.038 150 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 150 E C 2.004 178.637 176.600 0.055 0.000 1.000 150 E CA 1.944 58.376 56.400 0.054 0.000 0.803 150 E CB -1.214 28.515 29.700 0.048 0.000 0.750 150 E HN 0.157 nan 8.360 nan 0.000 0.448 151 T N -0.501 114.090 114.554 0.061 0.000 2.857 151 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 151 T C 2.027 176.764 174.700 0.062 0.000 1.048 151 T CA 1.103 63.237 62.100 0.056 0.000 1.139 151 T CB -0.274 68.631 68.868 0.061 0.000 0.874 151 T HN 0.041 nan 8.240 nan 0.000 0.455 152 S N 1.520 117.266 115.700 0.078 0.000 2.370 152 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 152 S C 2.573 177.220 174.600 0.079 0.000 1.033 152 S CA 1.102 59.353 58.200 0.084 0.000 1.011 152 S CB -0.612 62.650 63.200 0.103 0.000 0.852 152 S HN 0.601 nan 8.310 nan 0.000 0.457 153 A N 1.146 124.012 122.820 0.076 0.000 1.883 153 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 153 A C 2.347 179.962 177.584 0.052 0.000 1.186 153 A CA 1.930 54.008 52.037 0.067 0.000 0.624 153 A CB -1.019 18.017 19.000 0.059 0.000 0.822 153 A HN 0.373 nan 8.150 nan 0.000 0.444 154 V N 0.089 120.027 119.914 0.041 0.000 2.427 154 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 154 V C 2.385 178.495 176.094 0.027 0.000 1.051 154 V CA 1.887 64.202 62.300 0.024 0.000 1.048 154 V CB -0.807 31.021 31.823 0.008 0.000 0.666 154 V HN 0.559 nan 8.190 nan 0.000 0.456 155 I N 0.282 120.876 120.570 0.040 0.000 2.226 155 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 155 I C 2.622 178.774 176.117 0.059 0.000 1.100 155 I CA 2.007 63.336 61.300 0.048 0.000 1.374 155 I CB -0.348 37.687 38.000 0.059 0.000 1.057 155 I HN 0.407 nan 8.210 nan 0.000 0.413 156 E N 1.487 121.726 120.200 0.065 0.000 2.077 156 E HA -0.311 4.039 4.350 -0.000 0.000 0.193 156 E C 2.216 178.851 176.600 0.058 0.000 0.989 156 E CA 1.535 57.979 56.400 0.073 0.000 0.800 156 E CB 0.009 29.756 29.700 0.079 0.000 0.746 156 E HN 0.333 nan 8.360 nan 0.000 0.452 157 K N 0.374 120.799 120.400 0.042 0.000 2.057 157 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 157 K C 2.136 178.741 176.600 0.008 0.000 1.049 157 K CA 1.534 57.836 56.287 0.024 0.000 0.931 157 K CB -0.133 32.376 32.500 0.016 0.000 0.714 157 K HN 0.169 nan 8.250 nan 0.000 0.440 158 I N 1.125 121.697 120.570 0.005 0.000 2.142 158 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 158 I C 2.140 178.244 176.117 -0.022 0.000 1.078 158 I CA 0.815 62.103 61.300 -0.019 0.000 1.343 158 I CB -0.303 37.691 38.000 -0.011 0.000 1.046 158 I HN 0.195 nan 8.210 nan 0.000 0.405 159 I N 1.221 121.820 120.570 0.047 0.000 2.163 159 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 159 I C 2.886 179.066 176.117 0.106 0.000 1.085 159 I CA 1.855 63.234 61.300 0.131 0.000 1.347 159 I CB -1.680 36.426 38.000 0.176 0.000 1.044 159 I HN 0.201 nan 8.210 nan 0.000 0.408 160 A N 0.216 123.080 122.820 0.074 0.000 1.940 160 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 160 A C 2.280 179.873 177.584 0.014 0.000 1.176 160 A CA 1.723 53.797 52.037 0.062 0.000 0.631 160 A CB -0.645 18.386 19.000 0.052 0.000 0.814 160 A HN 0.502 nan 8.150 nan 0.000 0.446 161 E N -0.611 119.569 120.200 -0.033 0.000 2.051 161 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 161 E C 2.310 178.814 176.600 -0.160 0.000 0.991 161 E CA 1.038 57.391 56.400 -0.077 0.000 0.799 161 E CB -0.225 29.424 29.700 -0.085 0.000 0.748 161 E HN 0.631 nan 8.360 nan 0.000 0.449 162 A N 0.333 122.960 122.820 -0.323 0.000 1.930 162 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 162 A C 0.420 177.639 177.584 -0.608 0.000 1.176 162 A CA 0.776 52.403 52.037 -0.684 0.000 0.632 162 A CB 0.128 18.343 19.000 -1.308 0.000 0.819 162 A HN 0.093 nan 8.150 nan 0.000 0.445 163 F N -1.390 118.603 119.950 0.071 0.000 2.565 163 F HA 0.662 5.189 4.527 -0.000 0.000 0.313 163 F C 0.414 176.268 175.800 0.090 0.000 1.091 163 F CA -1.481 56.594 58.000 0.124 0.000 0.915 163 F CB 1.352 40.455 39.000 0.171 0.000 1.208 163 F HN 0.111 nan 8.300 nan 0.000 0.453 164 A N 3.368 126.361 122.820 0.287 0.000 2.477 164 A HA 0.394 4.714 4.320 -0.000 0.000 0.246 164 A C -1.730 175.939 177.584 0.142 0.000 1.078 164 A CA -0.994 51.132 52.037 0.147 0.000 0.770 164 A CB -0.128 18.903 19.000 0.052 0.000 1.011 164 A HN 0.611 nan 8.150 nan 0.000 0.494 165 P HA -0.190 nan 4.420 nan 0.000 0.223 165 P C 1.097 178.424 177.300 0.045 0.000 1.144 165 P CA 1.552 64.699 63.100 0.078 0.000 0.783 165 P CB 0.165 31.905 31.700 0.067 0.000 0.771 166 E N -1.905 118.281 120.200 -0.024 0.000 2.371 166 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 166 E C 1.391 177.989 176.600 -0.003 0.000 1.012 166 E CA 0.628 56.987 56.400 -0.068 0.000 0.860 166 E CB -0.630 28.951 29.700 -0.198 0.000 0.811 166 E HN 0.257 nan 8.360 nan 0.000 0.502 167 Y N 1.689 121.900 120.300 -0.149 0.000 2.259 167 Y HA 0.249 4.800 4.550 0.000 0.000 0.285 167 Y C 0.567 176.485 175.900 0.030 0.000 1.130 167 Y CA 0.349 58.486 58.100 0.062 0.000 1.144 167 Y CB 0.375 38.906 38.460 0.120 0.000 1.093 167 Y HN -0.204 nan 8.280 nan 0.000 0.507 168 V N 1.624 121.420 119.914 -0.197 0.000 2.531 168 V HA 0.807 4.927 4.120 -0.000 0.000 0.301 168 V C -0.828 175.275 176.094 0.016 0.000 1.034 168 V CA -0.473 61.653 62.300 -0.290 0.000 0.865 168 V CB 0.754 32.167 31.823 -0.682 0.000 0.995 168 V HN 0.419 nan 8.190 nan 0.000 0.424 169 A N 3.922 126.769 122.820 0.045 0.000 2.515 169 A HA 0.887 5.207 4.320 -0.000 0.000 0.298 169 A C -1.233 176.420 177.584 0.115 0.000 1.059 169 A CA -0.582 51.517 52.037 0.103 0.000 0.698 169 A CB 2.071 21.134 19.000 0.105 0.000 1.289 169 A HN 0.613 nan 8.150 nan 0.000 0.404 170 V N 2.495 122.480 119.914 0.119 0.000 2.427 170 V HA 0.442 4.562 4.120 -0.000 0.000 0.286 170 V C -0.369 175.796 176.094 0.119 0.000 1.034 170 V CA -0.133 62.237 62.300 0.117 0.000 0.893 170 V CB 1.286 33.172 31.823 0.105 0.000 0.982 170 V HN 0.667 nan 8.190 nan 0.000 0.452 171 I N 4.890 125.535 120.570 0.124 0.000 2.495 171 I HA 0.309 4.479 4.170 -0.000 0.000 0.277 171 I C 0.100 176.252 176.117 0.059 0.000 1.045 171 I CA -0.360 61.002 61.300 0.105 0.000 1.135 171 I CB 1.347 39.417 38.000 0.118 0.000 1.241 171 I HN 0.611 nan 8.210 nan 0.000 0.469 172 Q N 4.256 124.087 119.800 0.053 0.000 2.337 172 Q HA 0.491 4.831 4.340 -0.000 0.000 0.270 172 Q C 0.342 176.116 176.000 -0.376 0.000 1.002 172 Q CA 0.032 55.827 55.803 -0.014 0.000 0.888 172 Q CB 1.508 30.340 28.738 0.157 0.000 1.222 172 Q HN 0.840 nan 8.270 nan 0.000 0.400 173 G N 0.457 108.866 108.800 -0.652 0.000 2.559 173 G HA2 0.567 4.527 3.960 -0.000 0.000 0.291 173 G HA3 0.567 4.527 3.960 -0.000 0.000 0.291 173 G C -0.994 173.525 174.900 -0.635 0.000 1.424 173 G CA -0.249 44.135 45.100 -1.194 0.000 0.786 173 G HN 0.647 nan 8.290 nan 0.000 0.485 174 G N -1.070 107.500 108.800 -0.383 0.000 2.890 174 G HA2 0.488 4.448 3.960 -0.000 0.000 0.189 174 G HA3 0.488 4.448 3.960 -0.000 0.000 0.189 174 G C 0.877 175.784 174.900 0.011 0.000 1.342 174 G CA -0.304 44.781 45.100 -0.025 0.000 1.026 174 G HN 0.501 nan 8.290 nan 0.000 0.579 175 R N 0.196 120.728 120.500 0.054 0.000 2.096 175 R HA -0.078 4.262 4.340 -0.000 0.000 0.240 175 R C 1.879 178.210 176.300 0.052 0.000 1.139 175 R CA 1.637 57.768 56.100 0.053 0.000 0.952 175 R CB -0.890 29.440 30.300 0.051 0.000 0.854 175 R HN 0.476 nan 8.270 nan 0.000 0.436 176 D N 0.842 121.275 120.400 0.055 0.000 2.104 176 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 176 D C 1.889 178.230 176.300 0.068 0.000 0.994 176 D CA 1.177 55.211 54.000 0.058 0.000 0.830 176 D CB -0.141 40.694 40.800 0.057 0.000 0.959 176 D HN 0.214 nan 8.370 nan 0.000 0.452 177 E N 0.298 120.522 120.200 0.039 0.000 2.110 177 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 177 E C 1.720 178.369 176.600 0.083 0.000 0.988 177 E CA 0.692 57.117 56.400 0.041 0.000 0.804 177 E CB -0.293 29.361 29.700 -0.077 0.000 0.745 177 E HN 0.168 nan 8.360 nan 0.000 0.458 178 N N 0.016 118.762 118.700 0.076 0.000 2.080 178 N HA -0.135 4.604 4.740 -0.000 0.000 0.189 178 N C 1.599 177.169 175.510 0.099 0.000 1.036 178 N CA 1.815 54.941 53.050 0.127 0.000 0.846 178 N CB -0.311 38.252 38.487 0.127 0.000 1.015 178 N HN 0.149 nan 8.380 nan 0.000 0.423 179 S N -1.240 114.505 115.700 0.075 0.000 2.400 179 S HA -0.218 4.252 4.470 -0.000 0.000 0.232 179 S C 2.011 176.642 174.600 0.051 0.000 1.025 179 S CA 1.421 59.652 58.200 0.052 0.000 0.993 179 S CB -0.795 62.431 63.200 0.044 0.000 0.808 179 S HN 0.599 nan 8.310 nan 0.000 0.478 180 H N 1.710 120.770 119.070 -0.016 0.000 2.326 180 H HA 0.175 4.731 4.556 -0.000 0.000 0.301 180 H C 1.850 177.126 175.328 -0.086 0.000 1.081 180 H CA 1.769 57.790 56.048 -0.044 0.000 1.334 180 H CB -0.529 29.209 29.762 -0.041 0.000 1.385 180 H HN 0.351 nan 8.280 nan 0.000 0.504 181 L N -0.120 120.978 121.223 -0.208 0.000 2.046 181 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 181 L C 2.460 179.199 176.870 -0.217 0.000 1.077 181 L CA 0.998 55.649 54.840 -0.316 0.000 0.747 181 L CB -0.386 41.398 42.059 -0.459 0.000 0.896 181 L HN 0.325 nan 8.230 nan 0.000 0.432 182 L N -0.435 120.728 121.223 -0.099 0.000 2.353 182 L HA -0.158 4.182 4.340 -0.000 0.000 0.220 182 L C 2.478 179.350 176.870 0.003 0.000 1.133 182 L CA 1.235 56.082 54.840 0.011 0.000 0.798 182 L CB -0.406 41.677 42.059 0.040 0.000 0.922 182 L HN 0.418 nan 8.230 nan 0.000 0.445 183 S N -1.222 114.419 115.700 -0.097 0.000 2.575 183 S HA 0.166 4.636 4.470 -0.000 0.000 0.215 183 S C 0.674 175.173 174.600 -0.169 0.000 0.966 183 S CA -0.382 57.791 58.200 -0.045 0.000 0.911 183 S CB -0.150 63.004 63.200 -0.076 0.000 0.780 183 S HN 0.199 nan 8.310 nan 0.000 0.514 184 L N 1.411 122.373 121.223 -0.435 0.000 2.399 184 L HA 0.439 4.779 4.340 -0.000 0.000 0.265 184 L C -2.345 174.011 176.870 -0.858 0.000 1.089 184 L CA -2.711 51.617 54.840 -0.853 0.000 0.802 184 L CB 0.589 41.743 42.059 -1.508 0.000 1.180 184 L HN -0.087 nan 8.230 nan 0.000 0.454 185 P HA 0.074 nan 4.420 nan 0.000 0.238 185 P C -0.499 176.791 177.300 -0.016 0.000 1.714 185 P CA -0.036 62.756 63.100 -0.514 0.000 0.908 185 P CB -0.517 31.049 31.700 -0.222 0.000 1.893 186 F N 1.042 121.018 119.950 0.042 0.000 2.545 186 F HA -0.021 4.506 4.527 -0.000 0.000 0.348 186 F C 1.772 177.626 175.800 0.089 0.000 1.163 186 F CA 0.882 58.990 58.000 0.181 0.000 1.331 186 F CB 0.433 39.520 39.000 0.145 0.000 1.138 186 F HN 0.098 nan 8.300 nan 0.000 0.602 187 D N 0.956 121.538 120.400 0.304 0.000 2.354 187 D HA 0.032 4.672 4.640 -0.000 0.000 0.209 187 D C -0.426 175.984 176.300 0.183 0.000 1.015 187 D CA 0.899 55.015 54.000 0.194 0.000 0.867 187 D CB 0.360 41.238 40.800 0.129 0.000 0.933 187 D HN 0.228 nan 8.370 nan 0.000 0.520 188 F N 0.555 120.517 119.950 0.021 0.000 2.669 188 F HA 0.341 4.868 4.527 0.000 0.000 0.315 188 F C -2.070 173.707 175.800 -0.039 0.000 1.109 188 F CA -0.900 57.004 58.000 -0.160 0.000 1.028 188 F CB 1.169 39.979 39.000 -0.317 0.000 1.287 188 F HN -0.351 nan 8.300 nan 0.000 0.452 189 I N 6.035 126.097 120.570 -0.845 0.000 2.436 189 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 189 I C -1.492 174.163 176.117 -0.770 0.000 1.010 189 I CA -0.714 60.242 61.300 -0.573 0.000 1.098 189 I CB 1.988 39.774 38.000 -0.357 0.000 1.266 189 I HN 0.549 nan 8.210 nan 0.000 0.434 190 F N 7.707 127.376 119.950 -0.468 0.000 2.375 190 F HA 0.521 5.048 4.527 -0.000 0.000 0.361 190 F C -1.157 174.530 175.800 -0.187 0.000 1.117 190 F CA -0.690 57.136 58.000 -0.289 0.000 1.037 190 F CB 0.909 39.917 39.000 0.013 0.000 1.192 190 F HN 0.321 nan 8.300 nan 0.000 0.452 191 F N 5.161 124.868 119.950 -0.405 0.000 2.507 191 F HA 0.609 5.136 4.527 -0.000 0.000 0.325 191 F C -0.991 174.665 175.800 -0.240 0.000 1.116 191 F CA -0.280 57.565 58.000 -0.258 0.000 0.930 191 F CB 1.691 40.526 39.000 -0.276 0.000 1.146 191 F HN 0.273 nan 8.300 nan 0.000 0.447 192 T N 4.756 118.732 114.554 -0.965 0.000 2.809 192 T HA 0.794 5.144 4.350 -0.000 0.000 0.284 192 T C -0.119 173.872 174.700 -1.182 0.000 0.992 192 T CA -0.251 61.404 62.100 -0.741 0.000 0.957 192 T CB 1.144 69.894 68.868 -0.197 0.000 0.942 192 T HN 1.112 nan 8.240 nan 0.000 0.439 193 G N 1.869 110.186 108.800 -0.804 0.000 2.399 193 G HA2 0.450 4.410 3.960 -0.000 0.000 0.256 193 G HA3 0.450 4.410 3.960 -0.000 0.000 0.256 193 G C -0.810 174.081 174.900 -0.016 0.000 1.236 193 G CA -0.386 44.472 45.100 -0.403 0.000 0.914 193 G HN 0.893 nan 8.290 nan 0.000 0.482 194 S N 0.524 116.301 115.700 0.129 0.000 2.601 194 S HA 0.577 5.047 4.470 -0.000 0.000 0.271 194 S C -1.505 173.165 174.600 0.116 0.000 1.305 194 S CA -0.508 57.730 58.200 0.065 0.000 1.022 194 S CB 2.137 65.347 63.200 0.016 0.000 0.940 194 S HN 0.287 nan 8.310 nan 0.000 0.525 195 P HA -0.155 nan 4.420 nan 0.000 0.215 195 P C 1.100 178.392 177.300 -0.013 0.000 1.163 195 P CA 1.362 64.470 63.100 0.013 0.000 0.894 195 P CB -0.102 31.597 31.700 -0.001 0.000 0.791 196 N N -0.983 117.710 118.700 -0.012 0.000 2.149 196 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 196 N C 1.594 177.066 175.510 -0.064 0.000 1.019 196 N CA 1.028 54.058 53.050 -0.033 0.000 0.857 196 N CB -1.059 37.416 38.487 -0.019 0.000 0.997 196 N HN 0.040 nan 8.380 nan 0.000 0.426 197 V N 0.081 119.966 119.914 -0.049 0.000 2.719 197 V HA 0.003 4.123 4.120 -0.000 0.000 0.252 197 V C 2.354 178.197 176.094 -0.419 0.000 1.065 197 V CA 1.486 63.702 62.300 -0.139 0.000 1.086 197 V CB -0.994 30.839 31.823 0.017 0.000 0.700 197 V HN 0.287 nan 8.190 nan 0.000 0.467 198 G N 0.429 109.032 108.800 -0.329 0.000 2.422 198 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 198 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 198 G C 1.650 176.356 174.900 -0.323 0.000 1.146 198 G CA 0.767 45.613 45.100 -0.422 0.000 0.769 198 G HN 0.485 nan 8.290 nan 0.000 0.547 199 K N -0.073 120.203 120.400 -0.207 0.000 2.097 199 K HA 0.013 4.333 4.320 -0.000 0.000 0.206 199 K C 2.529 179.024 176.600 -0.175 0.000 1.049 199 K CA 0.906 57.097 56.287 -0.160 0.000 0.933 199 K CB -0.200 32.235 32.500 -0.110 0.000 0.717 199 K HN 0.221 nan 8.250 nan 0.000 0.442 200 V N 0.952 120.747 119.914 -0.199 0.000 2.358 200 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 200 V C 2.228 178.192 176.094 -0.217 0.000 1.047 200 V CA 1.392 63.585 62.300 -0.179 0.000 1.035 200 V CB -0.238 31.489 31.823 -0.160 0.000 0.658 200 V HN 0.076 nan 8.190 nan 0.000 0.452 201 V N -0.614 119.090 119.914 -0.349 0.000 2.358 201 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 201 V C 2.277 178.223 176.094 -0.248 0.000 1.047 201 V CA 2.540 64.625 62.300 -0.358 0.000 1.035 201 V CB -0.504 30.926 31.823 -0.654 0.000 0.658 201 V HN 0.518 nan 8.190 nan 0.000 0.452 202 M N -0.649 118.806 119.600 -0.242 0.000 2.200 202 M HA -0.198 4.282 4.480 -0.000 0.000 0.265 202 M C 2.337 178.555 176.300 -0.136 0.000 1.066 202 M CA 1.706 56.896 55.300 -0.183 0.000 1.127 202 M CB -0.193 32.304 32.600 -0.172 0.000 1.379 202 M HN 0.371 nan 8.290 nan 0.000 0.420 203 Q N -0.058 119.665 119.800 -0.128 0.000 2.124 203 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 203 Q C 1.819 177.766 176.000 -0.090 0.000 0.977 203 Q CA 1.741 57.483 55.803 -0.101 0.000 0.850 203 Q CB -0.102 28.580 28.738 -0.094 0.000 0.901 203 Q HN 0.648 nan 8.270 nan 0.000 0.429 204 A N 0.918 123.687 122.820 -0.085 0.000 1.877 204 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 204 A C 2.327 179.902 177.584 -0.014 0.000 1.186 204 A CA 1.716 53.725 52.037 -0.047 0.000 0.620 204 A CB -1.021 17.961 19.000 -0.030 0.000 0.822 204 A HN 0.544 nan 8.150 nan 0.000 0.443 205 A N -0.024 122.776 122.820 -0.033 0.000 1.948 205 A HA 0.062 4.382 4.320 -0.000 0.000 0.220 205 A C 2.506 180.078 177.584 -0.020 0.000 1.177 205 A CA 2.363 54.392 52.037 -0.013 0.000 0.636 205 A CB -1.108 17.837 19.000 -0.093 0.000 0.815 205 A HN 1.175 nan 8.150 nan 0.000 0.449 206 A N 0.109 122.890 122.820 -0.064 0.000 1.917 206 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 206 A C 2.025 179.553 177.584 -0.094 0.000 1.182 206 A CA 1.943 53.936 52.037 -0.072 0.000 0.633 206 A CB -0.522 18.430 19.000 -0.081 0.000 0.819 206 A HN 0.597 nan 8.150 nan 0.000 0.448 207 K N -1.183 119.125 120.400 -0.153 0.000 2.442 207 K HA -0.087 4.233 4.320 -0.000 0.000 0.198 207 K C 0.483 176.804 176.600 -0.466 0.000 1.042 207 K CA 1.089 57.197 56.287 -0.299 0.000 0.958 207 K CB -0.116 32.162 32.500 -0.370 0.000 0.766 207 K HN 0.661 nan 8.250 nan 0.000 0.474 208 H N -0.115 118.939 119.070 -0.025 0.000 2.767 208 H HA 0.220 4.776 4.556 -0.000 0.000 0.260 208 H C -0.102 175.224 175.328 -0.004 0.000 1.172 208 H CA -0.205 55.837 56.048 -0.010 0.000 1.048 208 H CB 0.319 30.082 29.762 0.003 0.000 1.697 208 H HN 0.001 nan 8.280 nan 0.000 0.606 209 L N 1.955 123.209 121.223 0.051 0.000 3.739 209 L HA -0.196 4.144 4.340 -0.000 0.000 0.442 209 L C -0.485 176.410 176.870 0.042 0.000 1.241 209 L CA 0.589 55.446 54.840 0.029 0.000 0.819 209 L CB -1.856 40.219 42.059 0.028 0.000 1.679 209 L HN 0.200 nan 8.230 nan 0.000 0.889 210 T N 0.427 115.003 114.554 0.038 0.000 2.744 210 T HA 0.485 4.835 4.350 -0.000 0.000 0.291 210 T C -1.910 172.736 174.700 -0.091 0.000 0.957 210 T CA -1.167 60.937 62.100 0.007 0.000 1.002 210 T CB 1.372 70.267 68.868 0.044 0.000 0.919 210 T HN 0.043 nan 8.240 nan 0.000 0.468 211 P HA 0.398 nan 4.420 nan 0.000 0.272 211 P C -0.879 176.180 177.300 -0.403 0.000 1.230 211 P CA -0.495 62.509 63.100 -0.160 0.000 0.788 211 P CB 0.633 32.277 31.700 -0.094 0.000 0.949 212 V N 2.169 121.853 119.914 -0.384 0.000 2.841 212 V HA 0.334 4.454 4.120 -0.000 0.000 0.310 212 V C -0.727 175.088 176.094 -0.465 0.000 1.090 212 V CA -0.754 61.216 62.300 -0.550 0.000 0.930 212 V CB 2.719 34.334 31.823 -0.348 0.000 1.014 212 V HN 0.182 nan 8.190 nan 0.000 0.425 213 V N 6.572 126.115 119.914 -0.618 0.000 2.495 213 V HA 0.561 4.681 4.120 -0.000 0.000 0.298 213 V C -0.578 175.181 176.094 -0.559 0.000 1.031 213 V CA -0.487 61.509 62.300 -0.507 0.000 0.871 213 V CB 1.753 33.241 31.823 -0.559 0.000 0.988 213 V HN 0.638 nan 8.190 nan 0.000 0.432 214 L N 5.001 125.998 121.223 -0.378 0.000 2.342 214 L HA 0.587 4.927 4.340 -0.000 0.000 0.276 214 L C -0.211 176.517 176.870 -0.236 0.000 0.997 214 L CA -0.504 54.200 54.840 -0.227 0.000 0.838 214 L CB 1.669 43.664 42.059 -0.107 0.000 1.224 214 L HN 0.491 nan 8.230 nan 0.000 0.416 215 E N 5.465 125.504 120.200 -0.269 0.000 2.035 215 E HA 0.473 4.823 4.350 -0.000 0.000 0.271 215 E C -0.411 176.128 176.600 -0.102 0.000 0.953 215 E CA -0.152 56.146 56.400 -0.169 0.000 0.777 215 E CB 1.972 31.633 29.700 -0.067 0.000 1.104 215 E HN 0.532 nan 8.360 nan 0.000 0.408 216 L N 0.328 121.508 121.223 -0.071 0.000 2.755 216 L HA 0.721 5.061 4.340 -0.000 0.000 0.243 216 L C 1.062 177.916 176.870 -0.027 0.000 1.579 216 L CA -0.894 53.929 54.840 -0.028 0.000 1.669 216 L CB 0.521 42.578 42.059 -0.003 0.000 2.294 216 L HN 0.460 nan 8.230 nan 0.000 0.588 217 G N -2.155 106.635 108.800 -0.017 0.000 3.247 217 G HA2 0.727 4.687 3.960 -0.000 0.000 0.226 217 G HA3 0.727 4.687 3.960 -0.000 0.000 0.226 217 G C -0.701 174.208 174.900 0.015 0.000 1.220 217 G CA -0.296 44.804 45.100 0.000 0.000 0.875 217 G HN 0.986 nan 8.290 nan 0.000 0.606 218 G N -1.193 107.630 108.800 0.038 0.000 2.278 218 G HA2 0.305 4.265 3.960 -0.000 0.000 0.265 218 G HA3 0.305 4.265 3.960 -0.000 0.000 0.265 218 G C -1.593 173.352 174.900 0.076 0.000 1.329 218 G CA -0.624 44.513 45.100 0.060 0.000 1.017 218 G HN 0.650 nan 8.290 nan 0.000 0.472 219 K N 0.067 120.518 120.400 0.086 0.000 2.572 219 K HA 0.514 4.834 4.320 -0.000 0.000 0.244 219 K C -0.547 176.143 176.600 0.150 0.000 0.965 219 K CA -0.539 55.825 56.287 0.128 0.000 0.943 219 K CB 1.392 33.932 32.500 0.067 0.000 1.154 219 K HN 0.628 nan 8.250 nan 0.000 0.447 220 C N 4.091 123.414 119.300 0.039 0.000 2.648 220 C HA 0.189 4.649 4.460 -0.000 0.000 0.415 220 C C -1.800 173.043 174.990 -0.245 0.000 1.366 220 C CA -1.276 57.688 59.018 -0.091 0.000 1.756 220 C CB -1.025 26.627 27.740 -0.147 0.000 2.549 220 C HN 0.549 nan 8.230 nan 0.000 0.597 221 P HA 0.412 nan 4.420 nan 0.000 0.282 221 P C -0.766 176.446 177.300 -0.146 0.000 1.249 221 P CA -0.356 62.431 63.100 -0.522 0.000 0.806 221 P CB 0.611 32.234 31.700 -0.127 0.000 0.984 222 L N 3.890 125.052 121.223 -0.100 0.000 2.318 222 L HA 0.502 4.842 4.340 -0.000 0.000 0.277 222 L C -0.904 176.063 176.870 0.162 0.000 1.008 222 L CA -0.620 54.304 54.840 0.140 0.000 0.846 222 L CB 0.232 42.340 42.059 0.082 0.000 1.220 222 L HN 0.244 nan 8.230 nan 0.000 0.423 223 I N 5.493 126.214 120.570 0.252 0.000 2.321 223 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 223 I C -0.513 175.784 176.117 0.300 0.000 0.998 223 I CA -0.743 60.722 61.300 0.277 0.000 1.227 223 I CB 1.773 39.887 38.000 0.191 0.000 1.368 223 I HN 0.222 nan 8.210 nan 0.000 0.466 224 V N 7.540 127.636 119.914 0.303 0.000 2.328 224 V HA 0.337 4.457 4.120 -0.000 0.000 0.278 224 V C 0.378 176.610 176.094 0.230 0.000 1.021 224 V CA -0.555 61.882 62.300 0.228 0.000 0.838 224 V CB 1.230 33.118 31.823 0.108 0.000 0.999 224 V HN 0.523 nan 8.190 nan 0.000 0.447 225 L N 6.645 127.989 121.223 0.202 0.000 2.464 225 L HA 0.222 4.562 4.340 -0.000 0.000 0.264 225 L C -1.033 175.831 176.870 -0.009 0.000 1.199 225 L CA -1.361 53.553 54.840 0.124 0.000 0.818 225 L CB 0.701 42.814 42.059 0.091 0.000 1.102 225 L HN 0.379 nan 8.230 nan 0.000 0.473 226 P HA -0.187 nan 4.420 nan 0.000 0.216 226 P C 0.497 177.731 177.300 -0.110 0.000 1.150 226 P CA 1.258 64.213 63.100 -0.242 0.000 0.843 226 P CB 0.006 31.442 31.700 -0.439 0.000 0.787 227 D N -1.472 118.887 120.400 -0.068 0.000 2.336 227 D HA 0.141 4.781 4.640 -0.000 0.000 0.228 227 D C 0.335 176.639 176.300 0.007 0.000 1.120 227 D CA -0.399 53.582 54.000 -0.032 0.000 0.839 227 D CB -0.781 40.002 40.800 -0.028 0.000 0.932 227 D HN 0.001 nan 8.370 nan 0.000 0.509 228 A N 0.584 123.422 122.820 0.030 0.000 2.445 228 A HA 0.152 4.472 4.320 -0.000 0.000 0.242 228 A C 0.276 177.899 177.584 0.065 0.000 1.075 228 A CA -0.323 51.762 52.037 0.080 0.000 0.777 228 A CB 0.229 19.307 19.000 0.129 0.000 1.013 228 A HN 0.158 nan 8.150 nan 0.000 0.493 229 D N 2.417 122.870 120.400 0.088 0.000 2.348 229 D HA 0.132 4.772 4.640 -0.000 0.000 0.259 229 D C 1.063 177.408 176.300 0.076 0.000 1.296 229 D CA 0.050 54.093 54.000 0.072 0.000 0.931 229 D CB 0.168 41.014 40.800 0.076 0.000 1.067 229 D HN 0.451 nan 8.370 nan 0.000 0.503 230 L N 2.861 124.107 121.223 0.039 0.000 2.131 230 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 230 L C 1.639 178.518 176.870 0.014 0.000 1.092 230 L CA 0.747 55.597 54.840 0.017 0.000 0.759 230 L CB -0.210 41.852 42.059 0.004 0.000 0.903 230 L HN 0.345 nan 8.230 nan 0.000 0.435 231 D N -0.062 120.353 120.400 0.026 0.000 2.084 231 D HA -0.233 4.407 4.640 -0.000 0.000 0.196 231 D C 2.089 178.413 176.300 0.041 0.000 0.985 231 D CA 1.139 55.154 54.000 0.026 0.000 0.826 231 D CB -0.232 40.583 40.800 0.026 0.000 0.978 231 D HN 0.347 nan 8.370 nan 0.000 0.456 232 Q N 0.383 120.225 119.800 0.071 0.000 2.062 232 Q HA -0.181 4.159 4.340 -0.000 0.000 0.209 232 Q C 1.928 178.003 176.000 0.125 0.000 0.996 232 Q CA 2.288 58.165 55.803 0.124 0.000 0.859 232 Q CB -0.087 28.755 28.738 0.173 0.000 0.920 232 Q HN 0.182 nan 8.270 nan 0.000 0.415 233 T N 0.255 114.840 114.554 0.052 0.000 2.665 233 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 233 T C 1.871 176.440 174.700 -0.218 0.000 1.035 233 T CA 1.606 63.554 62.100 -0.253 0.000 1.151 233 T CB -0.385 68.347 68.868 -0.225 0.000 0.862 233 T HN 0.135 nan 8.240 nan 0.000 0.438 234 V N 2.271 122.138 119.914 -0.079 0.000 2.343 234 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 234 V C 2.590 178.690 176.094 0.011 0.000 1.051 234 V CA 1.372 63.653 62.300 -0.032 0.000 1.036 234 V CB -0.634 31.190 31.823 0.002 0.000 0.654 234 V HN 0.478 nan 8.190 nan 0.000 0.451 235 N N 0.060 118.778 118.700 0.031 0.000 2.037 235 N HA -0.226 4.514 4.740 -0.000 0.000 0.196 235 N C 1.910 177.487 175.510 0.113 0.000 1.034 235 N CA 1.701 54.793 53.050 0.070 0.000 0.861 235 N CB -0.201 38.327 38.487 0.068 0.000 1.039 235 N HN 0.480 nan 8.380 nan 0.000 0.427 236 Q N 0.480 120.335 119.800 0.092 0.000 2.172 236 Q HA 0.039 4.379 4.340 -0.000 0.000 0.200 236 Q C 2.442 178.469 176.000 0.044 0.000 0.964 236 Q CA 0.402 56.294 55.803 0.149 0.000 0.855 236 Q CB -0.313 28.566 28.738 0.235 0.000 0.918 236 Q HN 0.428 nan 8.270 nan 0.000 0.444 237 L N -0.076 121.104 121.223 -0.071 0.000 2.017 237 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 237 L C 2.475 179.355 176.870 0.017 0.000 1.073 237 L CA 0.920 55.705 54.840 -0.091 0.000 0.745 237 L CB -0.425 41.574 42.059 -0.100 0.000 0.894 237 L HN 0.210 nan 8.230 nan 0.000 0.432 238 M N -1.159 118.534 119.600 0.155 0.000 2.082 238 M HA -0.276 4.204 4.480 -0.000 0.000 0.258 238 M C 2.397 178.880 176.300 0.303 0.000 1.069 238 M CA 1.983 57.468 55.300 0.308 0.000 1.102 238 M CB -1.158 31.572 32.600 0.216 0.000 1.336 238 M HN 0.229 nan 8.290 nan 0.000 0.404 239 F N 0.857 120.856 119.950 0.082 0.000 2.031 239 F HA -0.026 4.501 4.527 -0.000 0.000 0.295 239 F C 2.328 178.153 175.800 0.042 0.000 1.133 239 F CA 1.870 59.910 58.000 0.067 0.000 1.188 239 F CB -1.250 37.780 39.000 0.049 0.000 0.974 239 F HN 0.147 nan 8.300 nan 0.000 0.473 240 G N -0.068 108.532 108.800 -0.334 0.000 2.433 240 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.216 240 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.216 240 G C 1.672 176.372 174.900 -0.333 0.000 1.186 240 G CA 1.092 45.914 45.100 -0.462 0.000 0.779 240 G HN 0.308 nan 8.290 nan 0.000 0.543 241 K N 0.176 120.367 120.400 -0.348 0.000 2.062 241 K HA 0.096 4.416 4.320 -0.000 0.000 0.205 241 K C 1.866 178.135 176.600 -0.552 0.000 1.051 241 K CA 0.901 56.856 56.287 -0.552 0.000 0.941 241 K CB -0.475 31.466 32.500 -0.931 0.000 0.719 241 K HN 0.331 nan 8.250 nan 0.000 0.440 242 F N -0.046 119.874 119.950 -0.049 0.000 2.717 242 F HA 0.317 4.844 4.527 -0.000 0.000 0.295 242 F C 0.937 176.725 175.800 -0.021 0.000 1.117 242 F CA -0.712 57.274 58.000 -0.024 0.000 1.361 242 F CB -0.203 38.798 39.000 0.001 0.000 1.112 242 F HN -0.130 nan 8.300 nan 0.000 0.594 243 I N 1.676 122.298 120.570 0.087 0.000 2.775 243 I HA -0.148 4.022 4.170 -0.000 0.000 0.290 243 I C 0.911 177.043 176.117 0.025 0.000 1.203 243 I CA 0.377 61.716 61.300 0.064 0.000 1.433 243 I CB 0.170 38.181 38.000 0.018 0.000 1.354 243 I HN 0.313 nan 8.210 nan 0.000 0.579 244 N N 4.713 123.426 118.700 0.023 0.000 2.721 244 N HA -0.254 4.486 4.740 -0.000 0.000 0.249 244 N C 0.239 175.736 175.510 -0.020 0.000 1.072 244 N CA 1.305 54.334 53.050 -0.035 0.000 0.710 244 N CB -1.013 37.391 38.487 -0.138 0.000 0.993 244 N HN 0.780 nan 8.380 nan 0.000 0.547 245 S N -2.605 113.117 115.700 0.036 0.000 3.521 245 S HA -0.151 4.319 4.470 -0.000 0.000 0.328 245 S C 1.351 175.953 174.600 0.003 0.000 1.165 245 S CA 1.607 59.843 58.200 0.060 0.000 0.941 245 S CB -1.877 61.359 63.200 0.059 0.000 0.951 245 S HN 1.821 nan 8.310 nan 0.000 0.539 246 G N 0.144 108.905 108.800 -0.065 0.000 2.168 246 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.263 246 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.263 246 G C -0.065 174.610 174.900 -0.375 0.000 0.977 246 G CA 0.567 45.562 45.100 -0.174 0.000 0.659 246 G HN 0.708 nan 8.290 nan 0.000 0.533 247 Q N 1.188 120.729 119.800 -0.430 0.000 3.247 247 Q HA 0.391 4.731 4.340 -0.000 0.000 0.326 247 Q C 0.349 175.859 176.000 -0.818 0.000 1.402 247 Q CA 0.405 55.614 55.803 -0.990 0.000 0.994 247 Q CB 0.188 28.742 28.738 -0.307 0.000 1.647 247 Q HN 0.431 nan 8.270 nan 0.000 0.523 251 A N 2.535 125.408 122.820 0.088 0.000 2.483 251 A HA 0.585 4.905 4.320 -0.000 0.000 0.238 251 A C -2.361 175.299 177.584 0.127 0.000 1.070 251 A CA -0.710 51.345 52.037 0.030 0.000 0.770 251 A CB -0.600 18.354 19.000 -0.077 0.000 1.008 251 A HN 0.214 nan 8.150 nan 0.000 0.497 252 P HA 0.075 nan 4.420 nan 0.000 0.264 252 P C -0.117 177.169 177.300 -0.024 0.000 1.229 252 P CA 0.449 63.594 63.100 0.076 0.000 0.780 252 P CB 0.590 32.286 31.700 -0.006 0.000 0.808 253 D N 3.442 123.842 120.400 -0.001 0.000 2.162 253 D HA -0.091 4.549 4.640 -0.000 0.000 0.203 253 D C 0.085 176.457 176.300 0.120 0.000 0.967 253 D CA 1.004 55.044 54.000 0.067 0.000 0.840 253 D CB 0.115 41.011 40.800 0.160 0.000 0.972 253 D HN 0.454 nan 8.370 nan 0.000 0.482 254 Y N -1.848 118.442 120.300 -0.016 0.000 2.581 254 Y HA 0.500 5.050 4.550 -0.000 0.000 0.337 254 Y C -1.725 174.182 175.900 0.011 0.000 1.108 254 Y CA -1.818 56.258 58.100 -0.039 0.000 1.033 254 Y CB 0.656 39.060 38.460 -0.094 0.000 1.318 254 Y HN -0.177 nan 8.280 nan 0.000 0.459 255 L N 3.561 124.843 121.223 0.098 0.000 2.282 255 L HA 0.497 4.837 4.340 -0.000 0.000 0.288 255 L C -1.764 175.262 176.870 0.259 0.000 1.033 255 L CA -0.697 54.197 54.840 0.089 0.000 0.807 255 L CB 0.759 42.849 42.059 0.052 0.000 1.209 255 L HN 0.724 nan 8.230 nan 0.000 0.423 256 Y N 5.921 126.305 120.300 0.139 0.000 2.555 256 Y HA 0.540 5.090 4.550 -0.000 0.000 0.326 256 Y C -1.087 175.037 175.900 0.373 0.000 0.984 256 Y CA -1.048 57.223 58.100 0.285 0.000 1.298 256 Y CB 1.351 40.034 38.460 0.372 0.000 1.094 256 Y HN 0.438 nan 8.280 nan 0.000 0.500 257 V N 5.822 125.933 119.914 0.329 0.000 2.715 257 V HA 0.413 4.533 4.120 -0.000 0.000 0.310 257 V C -0.374 175.457 176.094 -0.438 0.000 1.054 257 V CA -0.672 61.656 62.300 0.047 0.000 0.928 257 V CB 1.514 33.353 31.823 0.028 0.000 1.007 257 V HN 0.763 nan 8.190 nan 0.000 0.437 258 H N 4.830 123.396 119.070 -0.839 0.000 2.928 258 H HA 0.016 4.572 4.556 -0.000 0.000 0.338 258 H C 0.728 175.754 175.328 -0.503 0.000 1.047 258 H CA 1.286 56.693 56.048 -1.069 0.000 1.435 258 H CB 0.874 30.212 29.762 -0.706 0.000 1.428 258 H HN 0.917 nan 8.280 nan 0.000 0.590 259 Y N 2.801 122.632 120.300 -0.782 0.000 2.256 259 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 259 Y C 2.282 178.066 175.900 -0.193 0.000 1.155 259 Y CA 1.110 58.976 58.100 -0.389 0.000 1.203 259 Y CB -0.651 37.595 38.460 -0.357 0.000 0.980 259 Y HN 0.446 nan 8.280 nan 0.000 0.530 260 S N -0.912 114.209 115.700 -0.965 0.000 2.603 260 S HA 0.010 4.480 4.470 -0.000 0.000 0.229 260 S C 1.245 175.731 174.600 -0.189 0.000 0.972 260 S CA 0.752 58.617 58.200 -0.558 0.000 0.935 260 S CB -0.238 62.662 63.200 -0.500 0.000 0.769 260 S HN 0.332 nan 8.310 nan 0.000 0.536 261 V N -0.009 119.826 119.914 -0.133 0.000 3.392 261 V HA 0.305 4.425 4.120 -0.000 0.000 0.294 261 V C 1.826 177.889 176.094 -0.051 0.000 1.561 261 V CA -0.038 62.218 62.300 -0.073 0.000 1.056 261 V CB 0.448 32.234 31.823 -0.061 0.000 0.882 261 V HN 0.405 nan 8.190 nan 0.000 0.440 262 K N 0.625 120.992 120.400 -0.056 0.000 2.026 262 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 262 K C 1.584 178.176 176.600 -0.013 0.000 1.048 262 K CA 2.244 58.514 56.287 -0.028 0.000 0.929 262 K CB 0.035 32.524 32.500 -0.019 0.000 0.713 262 K HN 0.384 nan 8.250 nan 0.000 0.439 263 D N 0.280 120.675 120.400 -0.009 0.000 2.104 263 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 263 D C 1.748 178.046 176.300 -0.005 0.000 0.994 263 D CA 1.522 55.521 54.000 -0.002 0.000 0.830 263 D CB -0.246 40.555 40.800 0.002 0.000 0.959 263 D HN 0.368 nan 8.370 nan 0.000 0.452 264 A N 0.251 123.064 122.820 -0.010 0.000 1.902 264 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 264 A C 2.107 179.686 177.584 -0.007 0.000 1.181 264 A CA 1.055 53.086 52.037 -0.009 0.000 0.623 264 A CB -0.701 18.291 19.000 -0.013 0.000 0.818 264 A HN 0.258 nan 8.150 nan 0.000 0.443 265 L N -0.198 121.018 121.223 -0.010 0.000 2.027 265 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 265 L C 2.275 179.144 176.870 -0.002 0.000 1.074 265 L CA 1.660 56.495 54.840 -0.010 0.000 0.745 265 L CB -0.542 41.508 42.059 -0.015 0.000 0.898 265 L HN 0.395 nan 8.230 nan 0.000 0.433 266 L N -0.786 120.438 121.223 0.002 0.000 2.131 266 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 266 L C 2.498 179.374 176.870 0.009 0.000 1.092 266 L CA 1.061 55.907 54.840 0.010 0.000 0.759 266 L CB -0.516 41.549 42.059 0.011 0.000 0.903 266 L HN 0.320 nan 8.230 nan 0.000 0.435 267 E N 0.501 120.704 120.200 0.004 0.000 2.031 267 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 267 E C 2.336 178.939 176.600 0.004 0.000 0.994 267 E CA 1.389 57.791 56.400 0.003 0.000 0.800 267 E CB 0.036 29.737 29.700 0.001 0.000 0.752 267 E HN 0.215 nan 8.360 nan 0.000 0.447 268 R N -0.470 120.032 120.500 0.004 0.000 2.092 268 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 268 R C 2.348 178.655 176.300 0.011 0.000 1.119 268 R CA 1.068 57.171 56.100 0.005 0.000 0.970 268 R CB -0.375 29.927 30.300 0.004 0.000 0.864 268 R HN 0.187 nan 8.270 nan 0.000 0.440 269 L N 0.659 121.891 121.223 0.016 0.000 1.988 269 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 269 L C 2.286 179.173 176.870 0.029 0.000 1.071 269 L CA 1.688 56.548 54.840 0.034 0.000 0.744 269 L CB -0.651 41.434 42.059 0.045 0.000 0.893 269 L HN 0.063 nan 8.230 nan 0.000 0.433 270 V N -1.363 118.563 119.914 0.021 0.000 2.515 270 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 270 V C 2.313 178.402 176.094 -0.009 0.000 1.058 270 V CA 2.047 64.352 62.300 0.008 0.000 1.064 270 V CB -0.760 31.069 31.823 0.009 0.000 0.675 270 V HN 0.747 nan 8.190 nan 0.000 0.461 271 E N 0.541 120.738 120.200 -0.004 0.000 2.077 271 E HA -0.304 4.046 4.350 -0.000 0.000 0.193 271 E C 2.406 178.997 176.600 -0.016 0.000 0.989 271 E CA 1.584 57.978 56.400 -0.010 0.000 0.800 271 E CB -0.242 29.455 29.700 -0.005 0.000 0.746 271 E HN 0.618 nan 8.360 nan 0.000 0.452 272 R N -0.076 120.419 120.500 -0.009 0.000 2.092 272 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 272 R C 2.261 178.536 176.300 -0.043 0.000 1.119 272 R CA 1.178 57.271 56.100 -0.012 0.000 0.970 272 R CB -0.192 30.114 30.300 0.010 0.000 0.864 272 R HN 0.100 nan 8.270 nan 0.000 0.440 273 V N 1.026 120.901 119.914 -0.064 0.000 2.287 273 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 273 V C 2.108 178.126 176.094 -0.126 0.000 1.053 273 V CA 2.006 64.213 62.300 -0.155 0.000 1.027 273 V CB -0.432 31.282 31.823 -0.183 0.000 0.646 273 V HN 0.354 nan 8.190 nan 0.000 0.447 274 K N 0.183 120.536 120.400 -0.077 0.000 2.063 274 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 274 K C 2.292 178.860 176.600 -0.053 0.000 1.048 274 K CA 2.133 58.385 56.287 -0.059 0.000 0.928 274 K CB -0.448 32.029 32.500 -0.038 0.000 0.713 274 K HN 0.737 nan 8.250 nan 0.000 0.442 275 T N -1.790 112.737 114.554 -0.045 0.000 2.937 275 T HA 0.005 4.355 4.350 -0.000 0.000 0.260 275 T C 1.568 176.244 174.700 -0.040 0.000 1.051 275 T CA 0.652 62.731 62.100 -0.035 0.000 1.141 275 T CB 0.093 68.947 68.868 -0.024 0.000 0.879 275 T HN 0.189 nan 8.240 nan 0.000 0.459 276 E N 0.472 120.642 120.200 -0.050 0.000 2.452 276 E HA 0.292 4.642 4.350 -0.000 0.000 0.197 276 E C 0.175 176.732 176.600 -0.070 0.000 1.022 276 E CA 0.144 56.516 56.400 -0.047 0.000 0.890 276 E CB 0.382 30.062 29.700 -0.032 0.000 0.918 276 E HN 0.481 nan 8.360 nan 0.000 0.496 277 L N 1.083 122.242 121.223 -0.106 0.000 2.725 277 L HA 0.243 4.583 4.340 -0.000 0.000 0.270 277 L C -2.121 174.683 176.870 -0.110 0.000 1.422 277 L CA -1.032 53.729 54.840 -0.131 0.000 0.770 277 L CB 1.018 42.929 42.059 -0.246 0.000 1.081 277 L HN -0.074 nan 8.230 nan 0.000 0.527 278 P HA -0.035 nan 4.420 nan 0.000 0.216 278 P C 0.370 177.642 177.300 -0.046 0.000 1.156 278 P CA 0.741 63.808 63.100 -0.055 0.000 0.855 278 P CB 0.407 32.083 31.700 -0.040 0.000 0.786 279 E N -0.498 119.679 120.200 -0.039 0.000 2.398 279 E HA 0.043 4.393 4.350 -0.000 0.000 0.263 279 E C 1.012 177.595 176.600 -0.029 0.000 1.046 279 E CA -0.209 56.174 56.400 -0.028 0.000 0.908 279 E CB 0.595 30.283 29.700 -0.021 0.000 0.963 279 E HN 0.046 nan 8.360 nan 0.000 0.431 280 I N 2.478 123.037 120.570 -0.019 0.000 2.614 280 I HA -0.208 3.962 4.170 -0.000 0.000 0.258 280 I C 1.012 177.125 176.117 -0.007 0.000 1.189 280 I CA 0.962 62.254 61.300 -0.013 0.000 1.462 280 I CB 0.122 38.118 38.000 -0.007 0.000 1.092 280 I HN 0.446 nan 8.210 nan 0.000 0.442 281 N N -1.029 117.668 118.700 -0.006 0.000 2.338 281 N HA 0.073 4.813 4.740 -0.000 0.000 0.251 281 N C 0.896 176.406 175.510 -0.000 0.000 1.199 281 N CA -0.093 52.959 53.050 0.002 0.000 0.879 281 N CB 0.157 38.648 38.487 0.006 0.000 1.159 281 N HN -0.066 nan 8.380 nan 0.000 0.514 282 S N 0.162 115.854 115.700 -0.014 0.000 2.383 282 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 282 S C 1.705 176.303 174.600 -0.003 0.000 1.030 282 S CA 2.043 60.231 58.200 -0.019 0.000 1.002 282 S CB -0.412 62.759 63.200 -0.048 0.000 0.829 282 S HN 0.783 nan 8.310 nan 0.000 0.467 283 T N -1.319 113.240 114.554 0.009 0.000 3.113 283 T HA 0.471 4.821 4.350 -0.000 0.000 0.256 283 T C 1.026 175.754 174.700 0.048 0.000 1.131 283 T CA 0.796 62.925 62.100 0.048 0.000 1.074 283 T CB -0.108 68.817 68.868 0.095 0.000 0.944 283 T HN 0.611 nan 8.240 nan 0.000 0.516 284 G N 0.969 109.789 108.800 0.032 0.000 2.384 284 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.200 284 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.200 284 G C -1.537 173.383 174.900 0.033 0.000 1.205 284 G CA -0.766 44.352 45.100 0.030 0.000 1.116 284 G HN 0.551 nan 8.290 nan 0.000 0.547 285 K N 0.015 120.437 120.400 0.037 0.000 2.292 285 K HA 0.632 4.952 4.320 -0.000 0.000 0.257 285 K C -0.088 176.544 176.600 0.054 0.000 0.940 285 K CA -0.706 55.604 56.287 0.039 0.000 0.811 285 K CB 2.289 34.810 32.500 0.034 0.000 1.120 285 K HN 0.435 nan 8.250 nan 0.000 0.428 286 L N 2.520 123.772 121.223 0.047 0.000 2.456 286 L HA -0.019 4.321 4.340 -0.000 0.000 0.272 286 L C 1.759 178.633 176.870 0.006 0.000 1.189 286 L CA 0.074 54.943 54.840 0.048 0.000 0.846 286 L CB 0.819 42.902 42.059 0.040 0.000 1.111 286 L HN 0.558 nan 8.230 nan 0.000 0.475 287 V N 1.833 121.713 119.914 -0.057 0.000 2.407 287 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 287 V C 1.046 177.053 176.094 -0.144 0.000 1.055 287 V CA 2.080 64.280 62.300 -0.168 0.000 1.049 287 V CB -0.057 31.368 31.823 -0.663 0.000 0.662 287 V HN 1.005 nan 8.190 nan 0.000 0.455 288 T N -4.488 109.987 114.554 -0.133 0.000 2.896 288 T HA 0.389 4.739 4.350 -0.000 0.000 0.297 288 T C 0.510 175.186 174.700 -0.041 0.000 1.108 288 T CA -0.283 61.770 62.100 -0.079 0.000 1.004 288 T CB 1.711 70.525 68.868 -0.090 0.000 1.159 288 T HN 0.266 nan 8.240 nan 0.000 0.499 289 E N 0.293 120.480 120.200 -0.022 0.000 2.130 289 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 289 E C 2.165 178.761 176.600 -0.007 0.000 0.998 289 E CA 1.162 57.556 56.400 -0.009 0.000 0.806 289 E CB -0.069 29.629 29.700 -0.004 0.000 0.738 289 E HN 0.532 nan 8.360 nan 0.000 0.459 290 R N 0.418 120.910 120.500 -0.014 0.000 2.096 290 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 290 R C 2.400 178.698 176.300 -0.003 0.000 1.127 290 R CA 0.959 57.054 56.100 -0.008 0.000 0.968 290 R CB -0.089 30.204 30.300 -0.012 0.000 0.861 290 R HN 0.140 nan 8.270 nan 0.000 0.440 291 Q N 0.260 120.052 119.800 -0.013 0.000 2.084 291 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 291 Q C 2.290 178.307 176.000 0.028 0.000 0.978 291 Q CA 1.296 57.103 55.803 0.008 0.000 0.844 291 Q CB -0.341 28.393 28.738 -0.008 0.000 0.898 291 Q HN 0.218 nan 8.270 nan 0.000 0.426 292 V N 1.245 121.171 119.914 0.019 0.000 2.307 292 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 292 V C 2.370 178.479 176.094 0.024 0.000 1.045 292 V CA 1.879 64.195 62.300 0.026 0.000 1.024 292 V CB -0.683 31.152 31.823 0.019 0.000 0.651 292 V HN 0.386 nan 8.190 nan 0.000 0.449 293 Q N -0.103 119.707 119.800 0.017 0.000 2.077 293 Q HA -0.292 4.048 4.340 -0.000 0.000 0.206 293 Q C 2.469 178.481 176.000 0.021 0.000 0.989 293 Q CA 2.225 58.037 55.803 0.016 0.000 0.853 293 Q CB -0.414 28.330 28.738 0.011 0.000 0.907 293 Q HN 0.572 nan 8.270 nan 0.000 0.418 294 R N 0.832 121.347 120.500 0.024 0.000 2.091 294 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 294 R C 2.101 178.423 176.300 0.037 0.000 1.136 294 R CA 1.213 57.331 56.100 0.030 0.000 0.959 294 R CB -0.206 30.115 30.300 0.034 0.000 0.856 294 R HN 0.259 nan 8.270 nan 0.000 0.437 295 L N 0.241 121.491 121.223 0.044 0.000 2.093 295 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 295 L C 2.476 179.369 176.870 0.039 0.000 1.085 295 L CA 0.721 55.591 54.840 0.050 0.000 0.755 295 L CB -0.240 41.855 42.059 0.061 0.000 0.904 295 L HN 0.069 nan 8.230 nan 0.000 0.435 296 V N -0.853 119.080 119.914 0.032 0.000 2.295 296 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 296 V C 2.576 178.683 176.094 0.022 0.000 1.049 296 V CA 2.062 64.377 62.300 0.025 0.000 1.024 296 V CB -0.429 31.407 31.823 0.020 0.000 0.648 296 V HN 0.390 nan 8.190 nan 0.000 0.447 297 S N 0.068 115.780 115.700 0.021 0.000 2.374 297 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 297 S C 1.908 176.519 174.600 0.018 0.000 1.037 297 S CA 1.748 59.959 58.200 0.018 0.000 1.024 297 S CB -0.471 62.740 63.200 0.017 0.000 0.861 297 S HN 0.458 nan 8.310 nan 0.000 0.456 298 L N 0.746 121.983 121.223 0.023 0.000 2.042 298 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 298 L C 2.215 179.096 176.870 0.018 0.000 1.076 298 L CA 1.103 55.956 54.840 0.022 0.000 0.749 298 L CB -0.486 41.590 42.059 0.029 0.000 0.893 298 L HN 0.298 nan 8.230 nan 0.000 0.432 299 L N -0.832 120.403 121.223 0.020 0.000 2.156 299 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 299 L C 2.427 179.305 176.870 0.012 0.000 1.095 299 L CA 1.029 55.879 54.840 0.017 0.000 0.770 299 L CB -0.425 41.648 42.059 0.022 0.000 0.914 299 L HN 0.271 nan 8.230 nan 0.000 0.439 300 E N 0.178 120.385 120.200 0.012 0.000 2.204 300 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 300 E C 2.089 178.693 176.600 0.007 0.000 0.989 300 E CA 1.054 57.460 56.400 0.009 0.000 0.824 300 E CB -0.068 29.638 29.700 0.010 0.000 0.756 300 E HN 0.503 nan 8.360 nan 0.000 0.477 301 A N 0.997 123.822 122.820 0.008 0.000 2.147 301 A HA 0.018 4.338 4.320 -0.000 0.000 0.211 301 A C 1.404 178.989 177.584 0.002 0.000 1.160 301 A CA 0.160 52.201 52.037 0.006 0.000 0.781 301 A CB 0.135 19.140 19.000 0.008 0.000 0.842 301 A HN 0.149 nan 8.150 nan 0.000 0.475 302 T N -0.549 114.005 114.554 0.001 0.000 2.900 302 T HA 0.164 4.514 4.350 -0.000 0.000 0.307 302 T C 0.836 175.531 174.700 -0.008 0.000 1.065 302 T CA -0.016 62.080 62.100 -0.006 0.000 1.105 302 T CB 0.518 69.382 68.868 -0.006 0.000 0.979 302 T HN 0.324 nan 8.240 nan 0.000 0.544 303 Q N 2.373 122.164 119.800 -0.014 0.000 2.384 303 Q HA 0.230 4.570 4.340 -0.000 0.000 0.207 303 Q C 1.215 177.205 176.000 -0.017 0.000 0.904 303 Q CA 0.096 55.891 55.803 -0.014 0.000 0.933 303 Q CB 0.011 28.739 28.738 -0.016 0.000 1.077 303 Q HN 0.828 nan 8.270 nan 0.000 0.522 304 G N 0.976 109.763 108.800 -0.022 0.000 2.651 304 G HA2 0.231 4.191 3.960 -0.000 0.000 0.260 304 G HA3 0.231 4.191 3.960 -0.000 0.000 0.260 304 G C -0.580 174.314 174.900 -0.011 0.000 1.216 304 G CA -0.301 44.786 45.100 -0.022 0.000 0.913 304 G HN 0.046 nan 8.290 nan 0.000 0.535 305 Q N -0.794 119.001 119.800 -0.008 0.000 2.307 305 Q HA 0.426 4.766 4.340 -0.000 0.000 0.262 305 Q C -0.109 175.893 176.000 0.003 0.000 0.961 305 Q CA -0.501 55.301 55.803 -0.002 0.000 0.882 305 Q CB 2.081 30.818 28.738 -0.002 0.000 1.264 305 Q HN 0.279 nan 8.270 nan 0.000 0.446 306 V N 4.808 124.726 119.914 0.006 0.000 2.529 306 V HA -0.026 4.094 4.120 -0.000 0.000 0.292 306 V C 0.931 177.031 176.094 0.010 0.000 1.028 306 V CA 0.577 62.884 62.300 0.012 0.000 1.074 306 V CB 0.256 32.086 31.823 0.011 0.000 0.958 306 V HN 0.825 nan 8.190 nan 0.000 0.481 307 L N 5.200 126.432 121.223 0.015 0.000 2.515 307 L HA 0.405 4.744 4.340 -0.000 0.000 0.223 307 L C 0.304 177.179 176.870 0.007 0.000 1.079 307 L CA 0.573 55.420 54.840 0.012 0.000 0.857 307 L CB 0.868 42.937 42.059 0.017 0.000 1.050 307 L HN 0.534 nan 8.230 nan 0.000 0.476 308 V N -1.088 118.831 119.914 0.009 0.000 3.174 308 V HA 0.606 4.726 4.120 -0.000 0.000 0.280 308 V C -0.083 176.009 176.094 -0.003 0.000 1.554 308 V CA 0.006 62.304 62.300 -0.004 0.000 1.016 308 V CB 1.303 33.117 31.823 -0.016 0.000 1.197 308 V HN 0.411 nan 8.190 nan 0.000 0.453 309 G N 3.555 112.346 108.800 -0.016 0.000 2.528 309 G HA2 0.102 4.062 3.960 -0.000 0.000 0.262 309 G HA3 0.102 4.062 3.960 -0.000 0.000 0.262 309 G C 0.814 175.716 174.900 0.002 0.000 1.200 309 G CA 1.264 46.355 45.100 -0.014 0.000 0.951 309 G HN 2.599 nan 8.290 nan 0.000 0.566 310 S N -1.516 114.192 115.700 0.014 0.000 3.244 310 S HA -0.205 4.265 4.470 -0.000 0.000 0.279 310 S C 0.443 175.051 174.600 0.013 0.000 1.293 310 S CA 2.608 60.819 58.200 0.019 0.000 0.990 310 S CB -1.858 61.353 63.200 0.017 0.000 1.202 310 S HN 1.934 nan 8.310 nan 0.000 0.666 311 Q N 0.630 120.435 119.800 0.007 0.000 2.271 311 Q HA 0.800 5.140 4.340 -0.000 0.000 0.258 311 Q C -0.374 175.631 176.000 0.009 0.000 0.936 311 Q CA -0.148 55.658 55.803 0.005 0.000 0.909 311 Q CB 1.978 30.715 28.738 -0.001 0.000 1.253 311 Q HN 0.639 nan 8.270 nan 0.000 0.440 312 A N 2.137 124.963 122.820 0.010 0.000 2.413 312 A HA 0.563 4.883 4.320 -0.000 0.000 0.307 312 A C -1.402 176.188 177.584 0.010 0.000 1.087 312 A CA -0.657 51.388 52.037 0.013 0.000 0.750 312 A CB 1.975 20.985 19.000 0.017 0.000 1.296 312 A HN 0.785 nan 8.150 nan 0.000 0.423 313 D N 1.917 122.323 120.400 0.010 0.000 2.363 313 D HA 0.342 4.982 4.640 -0.000 0.000 0.258 313 D C 0.888 177.193 176.300 0.009 0.000 1.259 313 D CA -0.296 53.709 54.000 0.008 0.000 0.921 313 D CB 0.909 41.713 40.800 0.006 0.000 1.201 313 D HN 0.085 nan 8.370 nan 0.000 0.524 314 V N 2.237 122.156 119.914 0.009 0.000 2.250 314 V HA -0.324 3.796 4.120 -0.000 0.000 0.253 314 V C 2.578 178.676 176.094 0.006 0.000 1.065 314 V CA 2.629 64.934 62.300 0.008 0.000 1.039 314 V CB -0.841 30.986 31.823 0.007 0.000 0.647 314 V HN 0.703 nan 8.190 nan 0.000 0.446 315 S N -0.326 115.377 115.700 0.006 0.000 2.383 315 S HA -0.302 4.168 4.470 -0.000 0.000 0.229 315 S C 1.944 176.548 174.600 0.006 0.000 1.030 315 S CA 1.972 60.175 58.200 0.005 0.000 1.002 315 S CB -0.449 62.753 63.200 0.005 0.000 0.829 315 S HN 0.629 nan 8.310 nan 0.000 0.467 316 K N 0.728 121.132 120.400 0.007 0.000 2.444 316 K HA 0.189 4.509 4.320 -0.000 0.000 0.193 316 K C 0.055 176.661 176.600 0.010 0.000 1.024 316 K CA -0.101 56.191 56.287 0.008 0.000 1.077 316 K CB -0.009 32.495 32.500 0.007 0.000 0.833 316 K HN 0.338 nan 8.250 nan 0.000 0.517 317 R N -0.844 119.662 120.500 0.010 0.000 3.531 317 R HA -0.184 4.156 4.340 -0.000 0.000 0.280 317 R C -1.042 175.269 176.300 0.018 0.000 1.130 317 R CA 0.510 56.617 56.100 0.011 0.000 0.757 317 R CB -1.708 28.598 30.300 0.009 0.000 1.218 317 R HN 0.270 nan 8.270 nan 0.000 0.454 318 A N 0.348 123.179 122.820 0.018 0.000 2.401 318 A HA 0.834 5.154 4.320 -0.000 0.000 0.310 318 A C -1.159 176.439 177.584 0.024 0.000 1.075 318 A CA -0.635 51.414 52.037 0.021 0.000 0.746 318 A CB 1.714 20.722 19.000 0.014 0.000 1.277 318 A HN 0.134 nan 8.150 nan 0.000 0.425 319 L N 1.584 122.826 121.223 0.031 0.000 2.455 319 L HA 0.699 5.039 4.340 -0.000 0.000 0.264 319 L C 0.095 176.984 176.870 0.032 0.000 0.968 319 L CA -0.013 54.848 54.840 0.034 0.000 0.827 319 L CB 2.209 44.296 42.059 0.048 0.000 1.317 319 L HN 0.889 nan 8.230 nan 0.000 0.407 320 S N 3.453 119.164 115.700 0.019 0.000 2.586 320 S HA 0.804 5.274 4.470 -0.000 0.000 0.274 320 S C 0.343 174.944 174.600 0.001 0.000 1.281 320 S CA -0.270 57.927 58.200 -0.006 0.000 1.035 320 S CB 1.188 64.375 63.200 -0.022 0.000 0.962 320 S HN 1.285 nan 8.310 nan 0.000 0.512 321 A N 2.919 125.694 122.820 -0.076 0.000 2.573 321 A HA 0.424 4.744 4.320 -0.000 0.000 0.250 321 A C 0.498 178.063 177.584 -0.031 0.000 1.049 321 A CA 0.113 52.057 52.037 -0.154 0.000 0.767 321 A CB -0.880 17.665 19.000 -0.758 0.000 0.965 321 A HN 0.843 nan 8.150 nan 0.000 0.514 322 T N 2.346 117.003 114.554 0.171 0.000 2.861 322 T HA 0.546 4.896 4.350 -0.000 0.000 0.287 322 T C -0.602 174.210 174.700 0.188 0.000 1.003 322 T CA -0.437 61.740 62.100 0.129 0.000 0.977 322 T CB 1.598 70.525 68.868 0.098 0.000 0.996 322 T HN 0.482 nan 8.240 nan 0.000 0.448 323 V N 3.164 123.150 119.914 0.120 0.000 2.540 323 V HA 0.595 4.714 4.120 -0.000 0.000 0.302 323 V C -0.600 175.530 176.094 0.060 0.000 1.035 323 V CA -0.726 61.640 62.300 0.110 0.000 0.873 323 V CB 1.954 33.841 31.823 0.106 0.000 0.992 323 V HN 0.738 nan 8.190 nan 0.000 0.428 324 V N 3.533 123.474 119.914 0.044 0.000 2.407 324 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 324 V C -0.448 175.650 176.094 0.006 0.000 1.018 324 V CA -0.481 61.832 62.300 0.020 0.000 0.842 324 V CB 1.752 33.583 31.823 0.012 0.000 0.996 324 V HN 0.907 nan 8.190 nan 0.000 0.426 325 D N 3.121 123.521 120.400 0.001 0.000 2.437 325 D HA 0.583 5.223 4.640 -0.000 0.000 0.259 325 D C 1.072 177.359 176.300 -0.020 0.000 1.118 325 D CA 0.812 54.809 54.000 -0.006 0.000 1.017 325 D CB 1.738 42.539 40.800 0.002 0.000 1.120 325 D HN 0.918 nan 8.370 nan 0.000 0.541 326 G N 0.183 108.968 108.800 -0.025 0.000 2.323 326 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.292 326 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.292 326 G C 0.012 174.876 174.900 -0.060 0.000 1.040 326 G CA 0.508 45.587 45.100 -0.035 0.000 0.942 326 G HN 0.363 nan 8.290 nan 0.000 0.506 327 V N 0.156 120.013 119.914 -0.094 0.000 2.644 327 V HA 0.537 4.657 4.120 -0.000 0.000 0.295 327 V C 0.340 176.302 176.094 -0.220 0.000 1.053 327 V CA -0.643 61.572 62.300 -0.143 0.000 0.987 327 V CB 1.789 33.514 31.823 -0.162 0.000 1.006 327 V HN 0.377 nan 8.190 nan 0.000 0.472 328 E N 2.003 122.080 120.200 -0.205 0.000 2.221 328 E HA 0.210 4.560 4.350 -0.000 0.000 0.268 328 E C 0.254 176.692 176.600 -0.270 0.000 0.933 328 E CA -0.525 55.737 56.400 -0.231 0.000 0.809 328 E CB 1.519 31.167 29.700 -0.086 0.000 1.190 328 E HN 0.689 nan 8.360 nan 0.000 0.406 329 W N 1.389 122.530 121.300 -0.264 0.000 2.308 329 W HA -0.254 4.406 4.660 -0.000 0.000 0.301 329 W C 1.960 178.332 176.519 -0.245 0.000 1.220 329 W CA 1.501 58.606 57.345 -0.400 0.000 1.240 329 W CB -0.330 28.610 29.460 -0.866 0.000 1.142 329 W HN 0.586 nan 8.180 nan 0.000 0.521 330 N N 0.592 119.317 118.700 0.041 0.000 2.453 330 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 330 N C 0.399 175.915 175.510 0.009 0.000 1.041 330 N CA 1.057 54.127 53.050 0.034 0.000 0.900 330 N CB -0.464 38.044 38.487 0.035 0.000 0.961 330 N HN 0.003 nan 8.380 nan 0.000 0.443 331 D N -0.305 120.078 120.400 -0.028 0.000 2.423 331 D HA -0.011 4.629 4.640 -0.000 0.000 0.238 331 D C -1.560 174.731 176.300 -0.014 0.000 1.142 331 D CA -1.361 52.618 54.000 -0.035 0.000 0.884 331 D CB 1.345 42.101 40.800 -0.074 0.000 1.199 331 D HN 0.122 nan 8.370 nan 0.000 0.438 332 P HA -0.080 nan 4.420 nan 0.000 0.225 332 P C 1.236 178.538 177.300 0.003 0.000 1.148 332 P CA 0.271 63.375 63.100 0.007 0.000 0.779 332 P CB 0.248 31.952 31.700 0.007 0.000 0.780 333 L N -1.824 119.389 121.223 -0.017 0.000 2.478 333 L HA 0.064 4.404 4.340 -0.000 0.000 0.223 333 L C 1.654 178.494 176.870 -0.051 0.000 1.140 333 L CA 1.636 56.461 54.840 -0.024 0.000 0.842 333 L CB -0.786 41.252 42.059 -0.035 0.000 0.953 333 L HN -0.002 nan 8.230 nan 0.000 0.452 334 M N -2.411 117.156 119.600 -0.054 0.000 2.346 334 M HA 0.173 4.653 4.480 -0.000 0.000 0.280 334 M C 1.921 178.267 176.300 0.076 0.000 1.075 334 M CA 0.311 55.564 55.300 -0.078 0.000 0.989 334 M CB -0.310 32.220 32.600 -0.117 0.000 1.447 334 M HN 0.299 nan 8.290 nan 0.000 0.511 335 S N 0.347 116.092 115.700 0.075 0.000 2.406 335 S HA 0.028 4.498 4.470 -0.000 0.000 0.224 335 S C 0.660 175.348 174.600 0.146 0.000 1.030 335 S CA 0.059 58.340 58.200 0.134 0.000 0.958 335 S CB 0.015 63.261 63.200 0.077 0.000 0.811 335 S HN 0.618 nan 8.310 nan 0.000 0.489 336 E N 0.620 120.863 120.200 0.072 0.000 2.378 336 E HA 0.481 4.831 4.350 -0.000 0.000 0.265 336 E C -1.017 175.597 176.600 0.023 0.000 0.932 336 E CA -1.128 55.309 56.400 0.061 0.000 0.795 336 E CB 0.795 30.526 29.700 0.053 0.000 1.296 336 E HN 0.211 nan 8.360 nan 0.000 0.438 337 E N 0.935 121.157 120.200 0.037 0.000 2.417 337 E HA -0.023 4.327 4.350 -0.000 0.000 0.261 337 E C 0.307 176.979 176.600 0.121 0.000 1.000 337 E CA -0.054 56.388 56.400 0.070 0.000 0.919 337 E CB 0.555 30.295 29.700 0.067 0.000 0.955 337 E HN 0.583 nan 8.360 nan 0.000 0.455 338 L N 4.688 126.002 121.223 0.152 0.000 2.023 338 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 338 L C 0.901 177.940 176.870 0.282 0.000 1.073 338 L CA 0.310 55.247 54.840 0.162 0.000 0.745 338 L CB -0.158 41.967 42.059 0.110 0.000 0.900 338 L HN 0.759 nan 8.230 nan 0.000 0.435 339 F N 0.435 120.429 119.950 0.073 0.000 3.067 339 F HA -0.143 4.384 4.527 -0.000 0.000 0.279 339 F C 0.438 176.307 175.800 0.114 0.000 0.945 339 F CA 0.668 58.733 58.000 0.109 0.000 0.948 339 F CB -1.426 37.668 39.000 0.157 0.000 0.898 339 F HN 0.153 nan 8.300 nan 0.000 0.746 340 G N -1.034 107.823 108.800 0.095 0.000 2.660 340 G HA2 0.601 4.561 3.960 -0.000 0.000 0.290 340 G HA3 0.601 4.561 3.960 -0.000 0.000 0.290 340 G C -2.956 171.977 174.900 0.055 0.000 1.432 340 G CA -0.993 44.155 45.100 0.079 0.000 0.807 340 G HN -0.252 nan 8.290 nan 0.000 0.485 341 P HA 0.239 nan 4.420 nan 0.000 0.261 341 P C -0.366 177.075 177.300 0.235 0.000 1.650 341 P CA 0.190 63.414 63.100 0.205 0.000 0.846 341 P CB -0.449 31.400 31.700 0.247 0.000 1.758 342 I N 0.342 120.975 120.570 0.106 0.000 2.389 342 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 342 I C -0.214 175.922 176.117 0.032 0.000 0.999 342 I CA -1.123 60.235 61.300 0.098 0.000 1.129 342 I CB 2.133 40.176 38.000 0.072 0.000 1.288 342 I HN -0.175 nan 8.210 nan 0.000 0.444 343 L N 9.834 131.084 121.223 0.045 0.000 2.297 343 L HA 0.567 4.907 4.340 -0.000 0.000 0.277 343 L C -2.492 174.400 176.870 0.036 0.000 1.040 343 L CA -1.558 53.285 54.840 0.004 0.000 0.867 343 L CB 0.675 42.715 42.059 -0.033 0.000 1.244 343 L HN 0.258 nan 8.230 nan 0.000 0.433 344 P HA 0.263 nan 4.420 nan 0.000 0.274 344 P C -1.345 175.969 177.300 0.022 0.000 1.246 344 P CA -0.281 62.824 63.100 0.008 0.000 0.795 344 P CB 1.095 32.774 31.700 -0.035 0.000 1.006 345 V N 2.149 122.057 119.914 -0.010 0.000 2.482 345 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 345 V C -0.257 175.815 176.094 -0.037 0.000 1.026 345 V CA -0.454 61.854 62.300 0.012 0.000 0.856 345 V CB 1.180 33.017 31.823 0.022 0.000 1.001 345 V HN 0.294 nan 8.190 nan 0.000 0.424 346 L N 3.988 125.198 121.223 -0.022 0.000 2.319 346 L HA 0.726 5.066 4.340 -0.000 0.000 0.267 346 L C 0.125 177.132 176.870 0.228 0.000 1.011 346 L CA -0.323 54.469 54.840 -0.080 0.000 0.818 346 L CB 1.716 43.451 42.059 -0.539 0.000 1.316 346 L HN 0.646 nan 8.230 nan 0.000 0.432 347 E N 0.793 121.136 120.200 0.238 0.000 2.320 347 E HA 0.774 5.124 4.350 -0.000 0.000 0.264 347 E C -1.489 175.352 176.600 0.402 0.000 0.923 347 E CA -0.675 55.864 56.400 0.232 0.000 0.796 347 E CB 2.736 32.474 29.700 0.063 0.000 1.262 347 E HN 0.409 nan 8.360 nan 0.000 0.428 348 F N -1.367 118.653 119.950 0.118 0.000 2.711 348 F HA 0.515 5.042 4.527 0.000 0.000 0.313 348 F C -0.382 175.434 175.800 0.026 0.000 1.141 348 F CA -0.824 57.224 58.000 0.080 0.000 0.941 348 F CB 1.308 40.248 39.000 -0.100 0.000 1.349 348 F HN 0.375 nan 8.300 nan 0.000 0.464 349 D N 0.193 120.799 120.400 0.344 0.000 3.105 349 D HA 0.124 4.764 4.640 -0.000 0.000 0.291 349 D C 0.134 176.767 176.300 0.554 0.000 1.218 349 D CA 0.771 54.945 54.000 0.290 0.000 1.029 349 D CB 0.755 41.639 40.800 0.139 0.000 1.207 349 D HN 0.398 nan 8.370 nan 0.000 0.437 350 S N 0.235 116.179 115.700 0.406 0.000 2.523 350 S HA 0.221 4.691 4.470 -0.000 0.000 0.275 350 S C 1.578 176.320 174.600 0.236 0.000 1.281 350 S CA -0.500 57.880 58.200 0.299 0.000 1.050 350 S CB 1.234 64.537 63.200 0.173 0.000 0.937 350 S HN 0.053 nan 8.310 nan 0.000 0.492 351 V N 6.093 126.110 119.914 0.172 0.000 2.324 351 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 351 V C 2.608 178.659 176.094 -0.072 0.000 1.060 351 V CA 2.384 64.666 62.300 -0.029 0.000 1.042 351 V CB -0.844 30.993 31.823 0.024 0.000 0.650 351 V HN 0.860 nan 8.190 nan 0.000 0.450 352 R N 0.472 120.976 120.500 0.007 0.000 2.096 352 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 352 R C 2.269 178.572 176.300 0.006 0.000 1.139 352 R CA 2.650 58.754 56.100 0.006 0.000 0.952 352 R CB -1.226 29.091 30.300 0.028 0.000 0.854 352 R HN 0.466 nan 8.270 nan 0.000 0.436 353 T N 0.300 114.879 114.554 0.041 0.000 2.821 353 T HA -0.023 4.327 4.350 -0.000 0.000 0.267 353 T C 1.707 176.455 174.700 0.080 0.000 1.046 353 T CA 1.269 63.417 62.100 0.080 0.000 1.139 353 T CB -0.452 68.504 68.868 0.147 0.000 0.871 353 T HN 0.478 nan 8.240 nan 0.000 0.454 354 A N 1.472 124.244 122.820 -0.079 0.000 1.865 354 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 354 A C 2.222 179.821 177.584 0.025 0.000 1.191 354 A CA 1.544 53.448 52.037 -0.221 0.000 0.623 354 A CB -0.921 17.390 19.000 -1.148 0.000 0.826 354 A HN 0.524 nan 8.150 nan 0.000 0.444 355 I N -0.013 120.521 120.570 -0.060 0.000 2.091 355 I HA -0.321 3.849 4.170 -0.000 0.000 0.239 355 I C 2.032 178.156 176.117 0.010 0.000 1.061 355 I CA 1.886 63.179 61.300 -0.011 0.000 1.317 355 I CB -0.672 37.308 38.000 -0.033 0.000 1.031 355 I HN 0.269 nan 8.210 nan 0.000 0.401 356 D N 0.263 120.662 120.400 -0.002 0.000 2.149 356 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 356 D C 2.309 178.565 176.300 -0.073 0.000 0.990 356 D CA 1.048 55.028 54.000 -0.034 0.000 0.839 356 D CB -0.274 40.513 40.800 -0.023 0.000 0.948 356 D HN 0.375 nan 8.370 nan 0.000 0.460 357 Q N 0.112 119.911 119.800 -0.001 0.000 2.083 357 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 357 Q C 2.536 178.345 176.000 -0.317 0.000 0.969 357 Q CA 0.410 56.135 55.803 -0.130 0.000 0.838 357 Q CB -0.440 28.389 28.738 0.153 0.000 0.900 357 Q HN 0.242 nan 8.270 nan 0.000 0.436 358 V N 2.379 122.286 119.914 -0.013 0.000 2.295 358 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 358 V C 1.908 177.970 176.094 -0.054 0.000 1.049 358 V CA 1.769 64.102 62.300 0.056 0.000 1.024 358 V CB -0.614 31.363 31.823 0.257 0.000 0.648 358 V HN 0.330 nan 8.190 nan 0.000 0.447 359 N N 0.231 118.888 118.700 -0.073 0.000 2.223 359 N HA -0.186 4.554 4.740 -0.000 0.000 0.185 359 N C 1.835 177.224 175.510 -0.202 0.000 1.016 359 N CA 1.500 54.487 53.050 -0.105 0.000 0.863 359 N CB -0.319 38.117 38.487 -0.086 0.000 0.983 359 N HN 0.561 nan 8.380 nan 0.000 0.429 360 K N -0.060 120.144 120.400 -0.326 0.000 2.076 360 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 360 K C 1.367 177.582 176.600 -0.640 0.000 1.051 360 K CA 1.035 57.020 56.287 -0.503 0.000 0.949 360 K CB 0.083 32.186 32.500 -0.661 0.000 0.726 360 K HN 0.295 nan 8.250 nan 0.000 0.443 361 H N -1.679 117.089 119.070 -0.503 0.000 2.439 361 H HA 0.120 4.676 4.556 -0.000 0.000 0.299 361 H C 0.320 175.213 175.328 -0.726 0.000 1.033 361 H CA 0.661 56.340 56.048 -0.614 0.000 1.348 361 H CB 0.589 29.869 29.762 -0.803 0.000 1.449 361 H HN 0.211 nan 8.280 nan 0.000 0.544 362 H N 0.158 119.209 119.070 -0.031 0.000 2.514 362 H HA 0.243 4.799 4.556 -0.000 0.000 0.226 362 H C -2.547 172.800 175.328 0.032 0.000 1.421 362 H CA -1.646 54.428 56.048 0.043 0.000 1.394 362 H CB 1.169 31.018 29.762 0.145 0.000 1.701 362 H HN 0.229 nan 8.280 nan 0.000 0.515 363 P HA 0.037 nan 4.420 nan 0.000 0.270 363 P C -0.032 177.279 177.300 0.017 0.000 1.223 363 P CA -0.278 62.824 63.100 0.002 0.000 0.785 363 P CB 0.836 32.505 31.700 -0.051 0.000 0.923 364 K N -1.470 118.925 120.400 -0.008 0.000 3.653 364 K HA -0.154 4.166 4.320 -0.000 0.000 0.275 364 K C -2.293 174.296 176.600 -0.019 0.000 0.962 364 K CA -0.088 56.181 56.287 -0.029 0.000 0.773 364 K CB -1.698 30.777 32.500 -0.042 0.000 1.463 364 K HN 0.455 nan 8.250 nan 0.000 0.450 365 P HA 0.025 nan 4.420 nan 0.000 0.276 365 P C 0.722 177.974 177.300 -0.081 0.000 1.252 365 P CA -0.772 62.316 63.100 -0.020 0.000 0.802 365 P CB 0.657 32.350 31.700 -0.011 0.000 1.035 366 L N 0.647 121.821 121.223 -0.081 0.000 2.081 366 L HA 0.005 4.345 4.340 -0.000 0.000 0.212 366 L C 0.598 177.368 176.870 -0.166 0.000 1.080 366 L CA 1.977 56.741 54.840 -0.126 0.000 0.754 366 L CB -1.266 40.750 42.059 -0.072 0.000 0.893 366 L HN 0.523 nan 8.230 nan 0.000 0.433 367 A N -2.112 120.585 122.820 -0.206 0.000 2.547 367 A HA 0.632 4.952 4.320 -0.000 0.000 0.297 367 A C -1.338 175.949 177.584 -0.496 0.000 1.056 367 A CA -0.552 51.259 52.037 -0.376 0.000 0.688 367 A CB 1.384 20.109 19.000 -0.460 0.000 1.282 367 A HN -0.177 nan 8.150 nan 0.000 0.400 368 V N 2.352 122.008 119.914 -0.430 0.000 2.435 368 V HA 0.508 4.628 4.120 -0.000 0.000 0.290 368 V C -1.292 174.610 176.094 -0.320 0.000 1.030 368 V CA -0.285 61.824 62.300 -0.317 0.000 0.881 368 V CB 1.113 32.858 31.823 -0.130 0.000 0.983 368 V HN 0.719 nan 8.190 nan 0.000 0.445 369 Y N 3.221 123.545 120.300 0.040 0.000 2.341 369 Y HA 0.675 5.225 4.550 -0.000 0.000 0.338 369 Y C -0.068 175.926 175.900 0.157 0.000 0.965 369 Y CA -1.143 57.017 58.100 0.101 0.000 1.108 369 Y CB 1.997 40.590 38.460 0.221 0.000 1.180 369 Y HN 0.303 nan 8.280 nan 0.000 0.458 370 V N 4.926 124.990 119.914 0.251 0.000 2.483 370 V HA 0.409 4.529 4.120 -0.000 0.000 0.297 370 V C -0.960 175.208 176.094 0.124 0.000 1.027 370 V CA -1.115 61.312 62.300 0.212 0.000 0.855 370 V CB 1.352 33.230 31.823 0.091 0.000 0.995 370 V HN 0.549 nan 8.190 nan 0.000 0.424 371 F N 3.256 123.255 119.950 0.082 0.000 2.388 371 F HA 0.822 5.349 4.527 0.000 0.000 0.358 371 F C 0.801 176.630 175.800 0.048 0.000 1.122 371 F CA -0.084 57.951 58.000 0.058 0.000 1.056 371 F CB 2.020 41.052 39.000 0.053 0.000 1.155 371 F HN 0.662 nan 8.300 nan 0.000 0.461 372 G N 2.633 111.500 108.800 0.111 0.000 2.506 372 G HA2 0.309 4.269 3.960 -0.000 0.000 0.292 372 G HA3 0.309 4.269 3.960 -0.000 0.000 0.292 372 G C -0.602 174.313 174.900 0.026 0.000 1.425 372 G CA -0.737 44.406 45.100 0.073 0.000 0.788 372 G HN 0.257 nan 8.290 nan 0.000 0.490 373 K N -0.316 120.094 120.400 0.017 0.000 2.373 373 K HA 0.183 4.503 4.320 -0.000 0.000 0.200 373 K C -0.122 176.477 176.600 -0.003 0.000 1.054 373 K CA -0.086 56.203 56.287 0.004 0.000 1.065 373 K CB 0.928 33.432 32.500 0.006 0.000 0.886 373 K HN 0.480 nan 8.250 nan 0.000 0.546 374 D N 1.627 122.026 120.400 -0.001 0.000 2.411 374 D HA 0.096 4.736 4.640 -0.000 0.000 0.225 374 D C 1.029 177.326 176.300 -0.005 0.000 1.156 374 D CA -0.078 53.920 54.000 -0.004 0.000 0.874 374 D CB 0.825 41.624 40.800 -0.003 0.000 1.034 374 D HN -0.227 nan 8.370 nan 0.000 0.502 375 M N 2.245 121.840 119.600 -0.009 0.000 2.175 375 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 375 M C 1.070 177.364 176.300 -0.010 0.000 1.063 375 M CA 1.036 56.329 55.300 -0.013 0.000 1.119 375 M CB -0.480 32.111 32.600 -0.014 0.000 1.377 375 M HN 0.375 nan 8.290 nan 0.000 0.415 376 D N 0.233 120.629 120.400 -0.007 0.000 2.097 376 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 376 D C 2.277 178.574 176.300 -0.004 0.000 0.989 376 D CA 1.111 55.107 54.000 -0.005 0.000 0.827 376 D CB -0.385 40.413 40.800 -0.003 0.000 0.966 376 D HN 0.165 nan 8.370 nan 0.000 0.456 377 V N 1.726 121.639 119.914 -0.001 0.000 2.287 377 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 377 V C 2.594 178.689 176.094 0.001 0.000 1.053 377 V CA 1.925 64.226 62.300 0.002 0.000 1.027 377 V CB -0.913 30.914 31.823 0.007 0.000 0.646 377 V HN 0.186 nan 8.190 nan 0.000 0.447 378 A N -0.018 122.802 122.820 0.000 0.000 1.858 378 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 378 A C 2.291 179.869 177.584 -0.010 0.000 1.190 378 A CA 2.124 54.160 52.037 -0.001 0.000 0.617 378 A CB -0.493 18.500 19.000 -0.011 0.000 0.827 378 A HN 0.554 nan 8.150 nan 0.000 0.443 379 K N -0.758 119.633 120.400 -0.014 0.000 2.147 379 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 379 K C 2.070 178.660 176.600 -0.017 0.000 1.049 379 K CA 0.944 57.220 56.287 -0.018 0.000 0.936 379 K CB -0.419 32.071 32.500 -0.017 0.000 0.722 379 K HN 0.481 nan 8.250 nan 0.000 0.446 380 G N 1.700 110.492 108.800 -0.013 0.000 2.422 380 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 380 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 380 G C 1.507 176.397 174.900 -0.017 0.000 1.146 380 G CA 0.619 45.711 45.100 -0.013 0.000 0.769 380 G HN 0.136 nan 8.290 nan 0.000 0.547 381 I N 0.376 120.936 120.570 -0.017 0.000 2.179 381 I HA -0.130 4.040 4.170 -0.000 0.000 0.242 381 I C 2.660 178.765 176.117 -0.021 0.000 1.088 381 I CA 0.787 62.074 61.300 -0.021 0.000 1.357 381 I CB -0.240 37.749 38.000 -0.019 0.000 1.051 381 I HN 0.131 nan 8.210 nan 0.000 0.409 382 I N 1.117 121.674 120.570 -0.022 0.000 2.163 382 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 382 I C 2.117 178.212 176.117 -0.036 0.000 1.085 382 I CA 1.440 62.721 61.300 -0.032 0.000 1.347 382 I CB -0.526 37.452 38.000 -0.037 0.000 1.044 382 I HN 0.320 nan 8.210 nan 0.000 0.408 383 N N 0.537 119.219 118.700 -0.030 0.000 2.309 383 N HA -0.169 4.571 4.740 -0.000 0.000 0.182 383 N C 1.449 176.941 175.510 -0.030 0.000 1.018 383 N CA 1.054 54.086 53.050 -0.030 0.000 0.876 383 N CB -0.185 38.288 38.487 -0.024 0.000 0.972 383 N HN 0.560 nan 8.380 nan 0.000 0.434 384 Q N -0.212 119.572 119.800 -0.028 0.000 2.319 384 Q HA 0.289 4.629 4.340 -0.000 0.000 0.202 384 Q C -0.206 175.777 176.000 -0.029 0.000 0.896 384 Q CA 0.155 55.941 55.803 -0.028 0.000 0.942 384 Q CB 0.914 29.637 28.738 -0.025 0.000 1.083 384 Q HN 0.298 nan 8.270 nan 0.000 0.510 385 I N 1.472 122.024 120.570 -0.029 0.000 2.411 385 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 385 I C -0.267 175.824 176.117 -0.042 0.000 1.012 385 I CA -0.647 60.636 61.300 -0.028 0.000 1.119 385 I CB 1.604 39.598 38.000 -0.011 0.000 1.261 385 I HN -0.048 nan 8.210 nan 0.000 0.448 386 Q N 4.643 124.416 119.800 -0.045 0.000 2.337 386 Q HA 0.396 4.736 4.340 -0.000 0.000 0.270 386 Q C -0.213 175.748 176.000 -0.065 0.000 1.002 386 Q CA 0.104 55.873 55.803 -0.057 0.000 0.888 386 Q CB 1.193 29.898 28.738 -0.056 0.000 1.222 386 Q HN 0.838 nan 8.270 nan 0.000 0.400 387 S N -0.462 115.186 115.700 -0.086 0.000 2.595 387 S HA 0.412 4.882 4.470 -0.000 0.000 0.270 387 S C 0.552 175.071 174.600 -0.135 0.000 1.145 387 S CA -0.554 57.581 58.200 -0.107 0.000 0.825 387 S CB 0.645 63.773 63.200 -0.121 0.000 1.107 387 S HN 0.621 nan 8.310 nan 0.000 0.461 388 G N 0.483 109.184 108.800 -0.164 0.000 2.433 388 G HA2 0.192 4.152 3.960 -0.000 0.000 0.216 388 G HA3 0.192 4.152 3.960 -0.000 0.000 0.216 388 G C -0.029 174.746 174.900 -0.209 0.000 1.186 388 G CA 1.306 46.283 45.100 -0.205 0.000 0.779 388 G HN 0.814 nan 8.290 nan 0.000 0.543 389 D N -1.848 118.418 120.400 -0.222 0.000 2.752 389 D HA 0.647 5.287 4.640 -0.000 0.000 0.313 389 D C -0.620 175.505 176.300 -0.293 0.000 1.225 389 D CA 0.159 54.014 54.000 -0.242 0.000 0.976 389 D CB 1.853 42.509 40.800 -0.240 0.000 1.443 389 D HN 0.388 nan 8.370 nan 0.000 0.515 390 A N 0.045 122.674 122.820 -0.319 0.000 2.597 390 A HA 0.588 4.908 4.320 -0.000 0.000 0.292 390 A C -1.762 175.736 177.584 -0.144 0.000 1.057 390 A CA -0.631 51.264 52.037 -0.236 0.000 0.674 390 A CB 2.029 20.941 19.000 -0.147 0.000 1.278 390 A HN 0.357 nan 8.150 nan 0.000 0.416 391 Q N -0.172 119.635 119.800 0.012 0.000 2.416 391 Q HA 0.637 4.977 4.340 -0.000 0.000 0.281 391 Q C -1.568 174.426 176.000 -0.009 0.000 1.067 391 Q CA -0.968 54.865 55.803 0.049 0.000 0.809 391 Q CB 2.849 31.684 28.738 0.162 0.000 1.418 391 Q HN 0.565 nan 8.270 nan 0.000 0.411 392 V N 2.788 122.638 119.914 -0.105 0.000 2.409 392 V HA 0.253 4.373 4.120 -0.000 0.000 0.291 392 V C -0.135 175.717 176.094 -0.402 0.000 1.020 392 V CA -0.569 61.603 62.300 -0.213 0.000 0.848 392 V CB 1.291 33.038 31.823 -0.126 0.000 0.990 392 V HN 0.856 nan 8.190 nan 0.000 0.430 393 N N 2.823 120.975 118.700 -0.912 0.000 2.782 393 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 393 N C 0.079 175.100 175.510 -0.815 0.000 1.101 393 N CA 1.368 53.688 53.050 -1.217 0.000 0.764 393 N CB -0.938 37.294 38.487 -0.425 0.000 1.122 393 N HN 1.083 nan 8.380 nan 0.000 0.561 394 G N -1.864 106.527 108.800 -0.681 0.000 2.692 394 G HA2 0.699 4.659 3.960 -0.000 0.000 0.291 394 G HA3 0.699 4.659 3.960 -0.000 0.000 0.291 394 G C -1.471 173.349 174.900 -0.133 0.000 1.423 394 G CA -0.363 44.653 45.100 -0.140 0.000 0.843 394 G HN 0.146 nan 8.290 nan 0.000 0.486 395 V N 1.300 121.174 119.914 -0.066 0.000 2.888 395 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 395 V C 0.876 176.983 176.094 0.022 0.000 1.114 395 V CA 0.448 62.498 62.300 -0.417 0.000 0.940 395 V CB 1.669 33.261 31.823 -0.385 0.000 1.021 395 V HN 1.333 nan 8.190 nan 0.000 0.426 396 M N 2.682 122.353 119.600 0.119 0.000 2.836 396 M HA -0.277 4.203 4.480 -0.000 0.000 0.158 396 M C 0.714 177.002 176.300 -0.020 0.000 0.682 396 M CA 2.339 57.691 55.300 0.086 0.000 0.605 396 M CB -1.073 31.520 32.600 -0.013 0.000 2.208 396 M HN 0.567 nan 8.290 nan 0.000 0.264 397 L N 1.328 122.686 121.223 0.226 0.000 2.450 397 L HA -0.195 4.145 4.340 -0.000 0.000 0.224 397 L C 2.376 179.304 176.870 0.097 0.000 1.149 397 L CA 1.425 56.419 54.840 0.256 0.000 0.816 397 L CB -1.132 41.102 42.059 0.292 0.000 0.932 397 L HN 0.650 nan 8.230 nan 0.000 0.449 398 H N -0.034 119.076 119.070 0.067 0.000 2.421 398 H HA -0.072 4.484 4.556 -0.000 0.000 0.298 398 H C 2.051 177.378 175.328 -0.003 0.000 1.087 398 H CA 1.177 57.268 56.048 0.072 0.000 1.330 398 H CB -0.401 29.434 29.762 0.122 0.000 1.388 398 H HN 0.290 nan 8.280 nan 0.000 0.526 399 A N 0.705 123.079 122.820 -0.743 0.000 2.178 399 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 399 A C 0.965 178.132 177.584 -0.694 0.000 1.157 399 A CA 0.709 52.257 52.037 -0.815 0.000 0.689 399 A CB -0.897 17.281 19.000 -1.370 0.000 0.787 399 A HN 0.316 nan 8.150 nan 0.000 0.465 400 F N -0.624 119.202 119.950 -0.207 0.000 2.639 400 F HA 0.322 4.849 4.527 -0.000 0.000 0.302 400 F C 0.994 176.682 175.800 -0.186 0.000 1.097 400 F CA -0.460 57.404 58.000 -0.227 0.000 1.294 400 F CB 0.064 38.964 39.000 -0.165 0.000 1.027 400 F HN 0.062 nan 8.300 nan 0.000 0.550 401 S N 2.301 118.004 115.700 0.006 0.000 2.451 401 S HA 0.385 4.855 4.470 -0.000 0.000 0.301 401 S C -1.665 172.865 174.600 -0.116 0.000 1.116 401 S CA -1.520 56.682 58.200 0.003 0.000 1.093 401 S CB 1.341 64.628 63.200 0.146 0.000 1.017 401 S HN -0.048 nan 8.310 nan 0.000 0.482 402 P HA 0.103 nan 4.420 nan 0.000 0.249 402 P C 0.021 176.978 177.300 -0.571 0.000 1.229 402 P CA 0.309 63.008 63.100 -0.669 0.000 0.788 402 P CB -0.125 30.665 31.700 -1.516 0.000 1.072 403 Y N -0.379 119.872 120.300 -0.082 0.000 2.500 403 Y HA 0.242 4.791 4.550 -0.000 0.000 0.270 403 Y C 1.383 177.469 175.900 0.310 0.000 1.134 403 Y CA -0.028 58.142 58.100 0.118 0.000 1.293 403 Y CB -0.031 38.495 38.460 0.109 0.000 1.063 403 Y HN -0.181 nan 8.280 nan 0.000 0.534 404 L N 2.903 124.346 121.223 0.367 0.000 2.282 404 L HA 0.399 4.739 4.340 -0.000 0.000 0.288 404 L C -2.472 174.509 176.870 0.186 0.000 1.033 404 L CA -2.287 52.724 54.840 0.284 0.000 0.807 404 L CB 1.336 43.531 42.059 0.226 0.000 1.209 404 L HN -0.198 nan 8.230 nan 0.000 0.423 405 P HA 0.030 nan 4.420 nan 0.000 0.268 405 P C -1.087 176.136 177.300 -0.129 0.000 1.205 405 P CA 0.078 62.862 63.100 -0.526 0.000 0.771 405 P CB 0.365 31.421 31.700 -1.074 0.000 0.858 406 F N 2.843 122.622 119.950 -0.285 0.000 2.467 406 F HA 0.725 5.252 4.527 -0.000 0.000 0.336 406 F C 0.095 175.818 175.800 -0.129 0.000 1.123 406 F CA 0.226 58.070 58.000 -0.260 0.000 0.964 406 F CB 1.483 40.131 39.000 -0.586 0.000 1.136 406 F HN 0.555 nan 8.300 nan 0.000 0.447 407 G N 2.770 111.132 108.800 -0.731 0.000 2.355 407 G HA2 0.451 4.411 3.960 -0.000 0.000 0.296 407 G HA3 0.451 4.411 3.960 -0.000 0.000 0.296 407 G C -1.336 173.298 174.900 -0.443 0.000 1.507 407 G CA -0.237 44.554 45.100 -0.516 0.000 0.823 407 G HN 1.026 nan 8.290 nan 0.000 0.569 408 G N -1.326 107.281 108.800 -0.322 0.000 2.671 408 G HA2 0.761 4.721 3.960 -0.000 0.000 0.275 408 G HA3 0.761 4.721 3.960 -0.000 0.000 0.275 408 G C -0.767 174.028 174.900 -0.175 0.000 1.368 408 G CA -0.653 44.302 45.100 -0.241 0.000 1.044 408 G HN 1.193 nan 8.290 nan 0.000 0.543 409 I N -1.227 119.261 120.570 -0.137 0.000 2.722 409 I HA 0.525 4.695 4.170 -0.000 0.000 0.295 409 I C 0.867 176.932 176.117 -0.088 0.000 1.161 409 I CA 0.568 61.803 61.300 -0.109 0.000 1.032 409 I CB 1.603 39.542 38.000 -0.101 0.000 1.244 409 I HN 1.218 nan 8.210 nan 0.000 0.421 410 G N 4.931 113.684 108.800 -0.079 0.000 2.591 410 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.298 410 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.298 410 G C 0.885 175.748 174.900 -0.062 0.000 1.195 410 G CA 0.728 45.788 45.100 -0.066 0.000 0.989 410 G HN 1.375 nan 8.290 nan 0.000 0.551 411 A N -0.138 122.654 122.820 -0.047 0.000 2.121 411 A HA 0.294 4.614 4.320 -0.000 0.000 0.218 411 A C 2.538 180.101 177.584 -0.034 0.000 1.154 411 A CA 2.970 54.986 52.037 -0.034 0.000 0.679 411 A CB -0.573 18.419 19.000 -0.013 0.000 0.795 411 A HN 2.008 nan 8.150 nan 0.000 0.458 412 S N -1.899 113.772 115.700 -0.049 0.000 2.593 412 S HA 0.476 4.946 4.470 -0.000 0.000 0.217 412 S C 0.866 175.409 174.600 -0.095 0.000 0.966 412 S CA 0.559 58.721 58.200 -0.063 0.000 0.914 412 S CB -0.331 62.824 63.200 -0.075 0.000 0.776 412 S HN 1.835 nan 8.310 nan 0.000 0.523 413 G N 1.069 109.811 108.800 -0.096 0.000 2.347 413 G HA2 0.277 4.237 3.960 -0.000 0.000 0.477 413 G HA3 0.277 4.237 3.960 -0.000 0.000 0.477 413 G C -1.163 173.659 174.900 -0.130 0.000 1.349 413 G CA -0.595 44.435 45.100 -0.117 0.000 1.000 413 G HN 0.755 nan 8.290 nan 0.000 0.605 414 M N -0.551 118.962 119.600 -0.146 0.000 2.393 414 M HA 0.779 5.259 4.480 -0.000 0.000 0.299 414 M C 0.317 176.522 176.300 -0.158 0.000 1.103 414 M CA -0.082 55.135 55.300 -0.139 0.000 0.910 414 M CB 1.900 34.426 32.600 -0.123 0.000 1.659 414 M HN 2.821 nan 8.290 nan 0.000 0.445 415 G N 2.255 110.980 108.800 -0.124 0.000 2.662 415 G HA2 0.059 4.019 3.960 -0.000 0.000 0.686 415 G HA3 0.059 4.019 3.960 -0.000 0.000 0.686 415 G C -1.686 173.170 174.900 -0.073 0.000 1.271 415 G CA -0.824 44.220 45.100 -0.094 0.000 0.816 415 G HN 0.932 nan 8.290 nan 0.000 0.608 416 E N -0.964 119.244 120.200 0.014 0.000 2.416 416 E HA 0.839 5.189 4.350 -0.000 0.000 0.273 416 E C -0.079 176.739 176.600 0.363 0.000 0.935 416 E CA -0.549 55.904 56.400 0.089 0.000 0.784 416 E CB 2.082 31.714 29.700 -0.113 0.000 1.301 416 E HN 1.197 nan 8.360 nan 0.000 0.454 417 Y N -2.326 118.051 120.300 0.129 0.000 2.958 417 Y HA 0.675 5.225 4.550 -0.000 0.000 0.315 417 Y C -0.854 175.184 175.900 0.231 0.000 1.541 417 Y CA -1.213 57.048 58.100 0.270 0.000 1.087 417 Y CB 1.229 39.938 38.460 0.416 0.000 1.593 417 Y HN 0.669 nan 8.280 nan 0.000 0.446 418 H N -0.459 118.659 119.070 0.080 0.000 4.893 418 H HA 0.147 4.703 4.556 -0.000 0.000 0.475 418 H C 0.483 175.901 175.328 0.151 0.000 1.156 418 H CA 0.267 56.304 56.048 -0.018 0.000 1.312 418 H CB -0.905 28.765 29.762 -0.153 0.000 2.428 418 H HN 1.731 nan 8.280 nan 0.000 0.445 419 G N 0.531 109.446 108.800 0.192 0.000 2.602 419 G HA2 -0.461 3.499 3.960 -0.000 0.000 0.306 419 G HA3 -0.461 3.499 3.960 -0.000 0.000 0.306 419 G C 0.715 175.617 174.900 0.003 0.000 1.301 419 G CA 1.095 46.303 45.100 0.180 0.000 0.974 419 G HN 1.005 nan 8.290 nan 0.000 0.547 420 H N -0.334 118.423 119.070 -0.522 0.000 2.460 420 H HA -0.101 4.455 4.556 -0.000 0.000 0.297 420 H C 2.636 177.569 175.328 -0.659 0.000 1.103 420 H CA 1.924 57.223 56.048 -1.249 0.000 1.292 420 H CB -0.123 28.980 29.762 -1.099 0.000 1.376 420 H HN 0.409 nan 8.280 nan 0.000 0.531 421 F N 0.083 119.980 119.950 -0.089 0.000 2.234 421 F HA -0.139 4.388 4.527 0.000 0.000 0.299 421 F C 2.845 178.703 175.800 0.097 0.000 1.087 421 F CA 0.749 58.726 58.000 -0.037 0.000 1.340 421 F CB -0.545 38.480 39.000 0.042 0.000 1.031 421 F HN 0.058 nan 8.300 nan 0.000 0.500 422 S N -0.735 115.177 115.700 0.353 0.000 2.370 422 S HA -0.256 4.214 4.470 -0.000 0.000 0.226 422 S C 1.897 176.735 174.600 0.397 0.000 1.033 422 S CA 1.345 59.826 58.200 0.468 0.000 1.011 422 S CB -0.665 62.820 63.200 0.475 0.000 0.852 422 S HN 0.496 nan 8.310 nan 0.000 0.457 423 Y N 2.138 122.489 120.300 0.085 0.000 2.145 423 Y HA -0.070 4.480 4.550 -0.000 0.000 0.286 423 Y C 1.850 177.780 175.900 0.050 0.000 1.145 423 Y CA 1.350 59.501 58.100 0.084 0.000 1.148 423 Y CB -0.455 37.999 38.460 -0.011 0.000 0.981 423 Y HN 0.144 nan 8.280 nan 0.000 0.507 424 L N -1.040 120.118 121.223 -0.108 0.000 2.141 424 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 424 L C 2.296 179.109 176.870 -0.095 0.000 1.094 424 L CA 1.667 56.394 54.840 -0.188 0.000 0.763 424 L CB -0.777 41.172 42.059 -0.183 0.000 0.908 424 L HN 0.183 nan 8.230 nan 0.000 0.437 425 T N -0.855 113.706 114.554 0.013 0.000 2.904 425 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 425 T C 1.158 175.686 174.700 -0.286 0.000 1.059 425 T CA 1.088 63.168 62.100 -0.034 0.000 1.137 425 T CB -0.133 68.789 68.868 0.090 0.000 0.879 425 T HN 0.120 nan 8.240 nan 0.000 0.467 426 F N 1.999 121.853 119.950 -0.160 0.000 2.692 426 F HA 0.238 4.765 4.527 -0.000 0.000 0.303 426 F C 1.234 176.927 175.800 -0.178 0.000 1.114 426 F CA -0.264 57.595 58.000 -0.236 0.000 1.361 426 F CB 0.041 38.969 39.000 -0.119 0.000 1.063 426 F HN 0.082 nan 8.300 nan 0.000 0.550 427 T N -3.264 111.171 114.554 -0.199 0.000 2.887 427 T HA 0.516 4.866 4.350 -0.000 0.000 0.292 427 T C -0.943 173.436 174.700 -0.536 0.000 1.087 427 T CA -0.795 61.022 62.100 -0.471 0.000 1.009 427 T CB 1.890 70.460 68.868 -0.496 0.000 1.203 427 T HN 0.225 nan 8.240 nan 0.000 0.518 428 H N -0.859 117.784 119.070 -0.711 0.000 2.621 428 H HA 0.695 5.251 4.556 -0.000 0.000 0.360 428 H C -0.796 174.407 175.328 -0.208 0.000 1.163 428 H CA -1.066 54.745 56.048 -0.394 0.000 1.194 428 H CB 1.264 30.798 29.762 -0.380 0.000 1.649 428 H HN 0.541 nan 8.280 nan 0.000 0.532 429 K N 2.549 122.797 120.400 -0.253 0.000 2.316 429 K HA 0.121 4.441 4.320 -0.000 0.000 0.289 429 K C -0.556 175.879 176.600 -0.275 0.000 1.070 429 K CA -0.482 55.664 56.287 -0.235 0.000 0.928 429 K CB 0.811 33.268 32.500 -0.071 0.000 1.039 429 K HN 0.512 nan 8.250 nan 0.000 0.480 430 K N 2.349 122.549 120.400 -0.334 0.000 2.367 430 K HA 0.185 4.505 4.320 -0.000 0.000 0.263 430 K C -0.812 175.718 176.600 -0.115 0.000 1.000 430 K CA -0.364 55.800 56.287 -0.204 0.000 0.891 430 K CB 1.070 33.423 32.500 -0.245 0.000 1.117 430 K HN 0.417 nan 8.250 nan 0.000 0.443 431 S N 2.114 117.766 115.700 -0.080 0.000 2.565 431 S HA 0.209 4.679 4.470 -0.000 0.000 0.276 431 S C -0.786 173.707 174.600 -0.177 0.000 1.326 431 S CA -0.745 57.390 58.200 -0.108 0.000 1.045 431 S CB 1.368 64.530 63.200 -0.064 0.000 0.918 431 S HN 0.500 nan 8.310 nan 0.000 0.505 432 V N 4.585 124.304 119.914 -0.325 0.000 2.686 432 V HA 0.718 4.838 4.120 -0.000 0.000 0.306 432 V C -0.856 174.998 176.094 -0.401 0.000 1.065 432 V CA -0.953 61.089 62.300 -0.430 0.000 0.894 432 V CB 1.768 33.233 31.823 -0.598 0.000 1.004 432 V HN 0.890 nan 8.190 nan 0.000 0.424 433 R N 6.555 126.926 120.500 -0.215 0.000 2.437 433 R HA 0.680 5.020 4.340 -0.000 0.000 0.310 433 R C -1.497 174.763 176.300 -0.067 0.000 0.955 433 R CA -0.767 55.263 56.100 -0.117 0.000 0.851 433 R CB 1.584 31.844 30.300 -0.066 0.000 1.161 433 R HN 0.734 nan 8.270 nan 0.000 0.446 434 I N 6.043 126.604 120.570 -0.016 0.000 2.359 434 I HA 0.252 4.422 4.170 -0.000 0.000 0.284 434 I C -0.252 175.880 176.117 0.026 0.000 1.018 434 I CA -0.803 60.511 61.300 0.025 0.000 1.173 434 I CB 1.325 39.377 38.000 0.086 0.000 1.326 434 I HN 0.366 nan 8.210 nan 0.000 0.462 435 V N 8.119 128.042 119.914 0.016 0.000 2.509 435 V HA 0.386 4.506 4.120 -0.000 0.000 0.284 435 V C -1.378 174.727 176.094 0.018 0.000 1.047 435 V CA -1.045 61.264 62.300 0.015 0.000 0.952 435 V CB 0.867 32.695 31.823 0.009 0.000 0.988 435 V HN 0.635 nan 8.190 nan 0.000 0.469 436 P HA 0.000 nan 4.420 nan 0.000 0.216 436 P CA 0.000 63.111 63.100 0.018 0.000 0.800 436 P CB 0.000 31.710 31.700 0.016 0.000 0.726