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 1mdz_1_A DATA FIRST_RESID 9 DATA SEQUENCE DFLPFSRPAM GAEELAAVKT VLDSGWITTG PKNQELEAAF CRLTGNQYAV DATA SEQUENCE AVSSATAGMH IALMALGIGE GDEVITPSMT WVSTLNMIVL LGANPVMVDV DATA SEQUENCE DRDTLMVTPE HIEAAITPQT KAIIPVHYAG APADLDAIYA LGERYGIPVI DATA SEQUENCE EDAAHATGTS YKGRHIGARG TAIFSFHAIK NITCAEGGIV VTDNPQFADK DATA SEQUENCE LRSLKFHGLG VDXXXXXXXX XXXQAEVLAP GYKYNLPDLN AAIALAQLQK DATA SEQUENCE LDALNARRAA IAAQYHQAMA DLPFQPLSLP SWEHIHAWHL FIIRVDEARC DATA SEQUENCE GITRDALMAS LKTKGIGTGL HFRAAHTQKY YRERFPTLTL PDTEWNSERI DATA SEQUENCE CSLPLFPDMT ESDFDRVITA LHQIA 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.367 176.300 0.112 0.000 2.045 9 D CA 0.000 54.053 54.000 0.089 0.000 0.868 9 D CB 0.000 nan 40.800 nan 0.000 0.688 10 F N 1.152 121.115 119.950 0.021 0.000 2.612 10 F HA 0.420 4.947 4.527 -0.001 0.000 0.389 10 F C 0.456 176.278 175.800 0.037 0.000 1.055 10 F CA -0.071 57.944 58.000 0.025 0.000 1.232 10 F CB 1.088 40.096 39.000 0.014 0.000 1.044 10 F HN 0.494 nan 8.300 nan 0.000 0.560 11 L N 9.942 130.809 121.223 -0.595 0.000 2.301 11 L HA 0.558 4.897 4.340 -0.001 0.000 0.278 11 L C -2.521 174.084 176.870 -0.442 0.000 1.022 11 L CA -2.284 52.372 54.840 -0.306 0.000 0.854 11 L CB 0.493 42.465 42.059 -0.146 0.000 1.226 11 L HN 0.297 nan 8.230 nan 0.000 0.429 12 P HA 0.098 nan 4.420 nan 0.000 0.274 12 P C 0.569 177.892 177.300 0.039 0.000 1.246 12 P CA -0.186 62.909 63.100 -0.008 0.000 0.795 12 P CB 0.392 32.086 31.700 -0.011 0.000 1.006 13 F N -1.055 118.934 119.950 0.066 0.000 2.407 13 F HA 0.172 4.699 4.527 -0.001 0.000 0.299 13 F C 0.662 176.566 175.800 0.173 0.000 1.097 13 F CA 0.274 58.351 58.000 0.128 0.000 1.422 13 F CB -0.319 38.741 39.000 0.099 0.000 1.067 13 F HN 0.234 nan 8.300 nan 0.000 0.539 14 S N -0.066 115.323 115.700 -0.519 0.000 2.550 14 S HA 0.709 5.179 4.470 -0.001 0.000 0.270 14 S C -1.227 172.917 174.600 -0.760 0.000 1.145 14 S CA -0.899 57.005 58.200 -0.492 0.000 0.852 14 S CB 1.415 64.365 63.200 -0.416 0.000 1.119 14 S HN 0.330 nan 8.310 nan 0.000 0.465 15 R N 2.002 122.017 120.500 -0.809 0.000 2.584 15 R HA 0.448 4.788 4.340 -0.001 0.000 0.276 15 R C -2.942 173.228 176.300 -0.217 0.000 1.046 15 R CA -1.764 53.979 56.100 -0.595 0.000 0.906 15 R CB 2.104 31.902 30.300 -0.837 0.000 1.215 15 R HN 0.475 nan 8.270 nan 0.000 0.449 16 P HA 0.114 nan 4.420 nan 0.000 0.275 16 P C -0.758 176.558 177.300 0.026 0.000 1.228 16 P CA -0.380 62.711 63.100 -0.016 0.000 0.786 16 P CB 0.952 32.634 31.700 -0.031 0.000 0.927 17 A N 4.540 127.399 122.820 0.066 0.000 3.078 17 A HA 0.344 4.664 4.320 -0.001 0.000 0.279 17 A C 0.351 177.962 177.584 0.045 0.000 1.594 17 A CA -0.409 51.673 52.037 0.076 0.000 1.301 17 A CB -0.871 18.187 19.000 0.096 0.000 1.162 17 A HN 0.356 nan 8.150 nan 0.000 0.585 18 M N 1.584 121.201 119.600 0.029 0.000 2.144 18 M HA 0.468 4.947 4.480 -0.001 0.000 0.356 18 M C 0.656 176.967 176.300 0.018 0.000 1.217 18 M CA 0.096 55.406 55.300 0.016 0.000 1.087 18 M CB 0.882 33.485 32.600 0.005 0.000 1.609 18 M HN 0.556 nan 8.290 nan 0.000 0.467 19 G N 1.312 110.120 108.800 0.015 0.000 3.166 19 G HA2 0.645 4.605 3.960 -0.001 0.000 0.267 19 G HA3 0.645 4.605 3.960 -0.001 0.000 0.267 19 G C 0.419 175.325 174.900 0.008 0.000 1.256 19 G CA 0.084 45.192 45.100 0.014 0.000 0.859 19 G HN 0.633 nan 8.290 nan 0.000 0.590 20 A N -0.672 122.153 122.820 0.008 0.000 1.969 20 A HA 0.076 4.396 4.320 -0.001 0.000 0.218 20 A C 1.995 179.581 177.584 0.003 0.000 1.169 20 A CA 2.265 54.305 52.037 0.005 0.000 0.635 20 A CB -0.464 18.539 19.000 0.005 0.000 0.810 20 A HN 0.560 nan 8.150 nan 0.000 0.445 21 E N 0.118 120.319 120.200 0.003 0.000 2.106 21 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 21 E C 1.874 178.473 176.600 -0.002 0.000 0.984 21 E CA 1.426 57.826 56.400 0.000 0.000 0.806 21 E CB -0.198 29.502 29.700 -0.001 0.000 0.750 21 E HN 0.666 nan 8.360 nan 0.000 0.458 22 E N 0.224 120.423 120.200 -0.002 0.000 2.072 22 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 22 E C 1.827 178.426 176.600 -0.003 0.000 0.985 22 E CA 0.502 56.899 56.400 -0.005 0.000 0.801 22 E CB -0.181 29.516 29.700 -0.004 0.000 0.750 22 E HN 0.121 nan 8.360 nan 0.000 0.452 23 L N 0.405 121.628 121.223 -0.001 0.000 2.056 23 L HA -0.059 4.280 4.340 -0.001 0.000 0.207 23 L C 2.055 178.925 176.870 0.001 0.000 1.078 23 L CA 1.974 56.814 54.840 0.000 0.000 0.749 23 L CB -0.801 41.259 42.059 0.001 0.000 0.901 23 L HN 0.119 nan 8.230 nan 0.000 0.433 24 A N -0.392 122.428 122.820 0.001 0.000 1.883 24 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 24 A C 2.467 180.052 177.584 0.003 0.000 1.186 24 A CA 1.974 54.012 52.037 0.002 0.000 0.624 24 A CB -1.268 17.733 19.000 0.002 0.000 0.822 24 A HN 0.576 nan 8.150 nan 0.000 0.444 25 A N -0.652 122.168 122.820 0.000 0.000 1.908 25 A HA -0.043 4.277 4.320 -0.001 0.000 0.218 25 A C 2.246 179.833 177.584 0.005 0.000 1.181 25 A CA 1.935 53.973 52.037 0.001 0.000 0.627 25 A CB -0.954 18.043 19.000 -0.006 0.000 0.818 25 A HN 0.420 nan 8.150 nan 0.000 0.445 26 V N 0.103 120.019 119.914 0.003 0.000 2.358 26 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 26 V C 2.519 178.617 176.094 0.007 0.000 1.047 26 V CA 2.344 64.647 62.300 0.006 0.000 1.035 26 V CB -0.649 31.176 31.823 0.003 0.000 0.658 26 V HN 0.704 nan 8.190 nan 0.000 0.452 27 K N -0.026 120.377 120.400 0.004 0.000 2.032 27 K HA -0.225 4.095 4.320 -0.001 0.000 0.209 27 K C 2.163 178.767 176.600 0.007 0.000 1.048 27 K CA 2.193 58.482 56.287 0.003 0.000 0.927 27 K CB -0.385 32.117 32.500 0.002 0.000 0.712 27 K HN 0.493 nan 8.250 nan 0.000 0.441 28 T N 0.612 115.173 114.554 0.012 0.000 2.759 28 T HA -0.119 4.231 4.350 -0.001 0.000 0.269 28 T C 1.843 176.561 174.700 0.029 0.000 1.042 28 T CA 1.417 63.529 62.100 0.020 0.000 1.140 28 T CB -0.131 68.750 68.868 0.021 0.000 0.864 28 T HN 0.021 nan 8.240 nan 0.000 0.455 29 V N 1.394 121.325 119.914 0.029 0.000 2.307 29 V HA -0.089 4.031 4.120 -0.001 0.000 0.245 29 V C 2.501 178.610 176.094 0.025 0.000 1.045 29 V CA 1.365 63.690 62.300 0.043 0.000 1.024 29 V CB -0.667 31.181 31.823 0.041 0.000 0.651 29 V HN 0.438 nan 8.190 nan 0.000 0.449 30 L N -0.041 121.187 121.223 0.007 0.000 2.012 30 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 30 L C 2.387 179.238 176.870 -0.031 0.000 1.073 30 L CA 1.804 56.636 54.840 -0.013 0.000 0.748 30 L CB -0.846 41.206 42.059 -0.011 0.000 0.891 30 L HN 0.359 nan 8.230 nan 0.000 0.431 31 D N -0.536 119.853 120.400 -0.018 0.000 2.178 31 D HA -0.145 4.494 4.640 -0.001 0.000 0.202 31 D C 2.382 178.660 176.300 -0.037 0.000 0.974 31 D CA 1.572 55.556 54.000 -0.026 0.000 0.841 31 D CB -0.127 40.669 40.800 -0.008 0.000 0.953 31 D HN 0.345 nan 8.370 nan 0.000 0.478 32 S N -0.547 115.151 115.700 -0.003 0.000 2.423 32 S HA 0.019 4.489 4.470 -0.001 0.000 0.231 32 S C 1.933 176.448 174.600 -0.143 0.000 1.014 32 S CA 1.584 59.805 58.200 0.034 0.000 0.965 32 S CB -0.093 63.206 63.200 0.165 0.000 0.785 32 S HN 0.358 nan 8.310 nan 0.000 0.495 33 G N -0.420 108.253 108.800 -0.212 0.000 2.217 33 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.246 33 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.246 33 G C -0.148 174.426 174.900 -0.544 0.000 0.990 33 G CA 0.170 44.987 45.100 -0.472 0.000 0.627 33 G HN 0.495 nan 8.290 nan 0.000 0.522 34 W N 1.770 123.073 121.300 0.004 0.000 2.296 34 W HA 0.586 5.246 4.660 -0.001 0.000 0.333 34 W C 1.487 178.008 176.519 0.004 0.000 0.931 34 W CA -0.440 56.907 57.345 0.003 0.000 1.538 34 W CB -0.380 29.080 29.460 -0.001 0.000 1.417 34 W HN 0.357 nan 8.180 nan 0.000 0.380 35 I N -1.078 119.567 120.570 0.125 0.000 3.030 35 I HA 0.047 4.217 4.170 -0.001 0.000 0.270 35 I C 1.020 177.193 176.117 0.093 0.000 1.211 35 I CA 0.769 62.119 61.300 0.083 0.000 1.479 35 I CB 0.002 38.023 38.000 0.033 0.000 1.105 35 I HN -0.024 nan 8.210 nan 0.000 0.447 36 T N 1.069 115.693 114.554 0.116 0.000 2.893 36 T HA 0.262 4.612 4.350 -0.001 0.000 0.281 36 T C 0.140 174.882 174.700 0.071 0.000 1.027 36 T CA -0.232 61.924 62.100 0.093 0.000 0.953 36 T CB 1.009 69.936 68.868 0.098 0.000 1.434 36 T HN 0.274 nan 8.240 nan 0.000 0.597 37 T N 1.714 116.283 114.554 0.025 0.000 2.800 37 T HA 0.439 4.789 4.350 -0.001 0.000 0.283 37 T C 0.551 175.226 174.700 -0.042 0.000 0.999 37 T CA 0.398 62.482 62.100 -0.027 0.000 1.176 37 T CB -0.365 68.441 68.868 -0.104 0.000 0.973 37 T HN 0.852 nan 8.240 nan 0.000 0.519 38 G N 4.113 112.895 108.800 -0.030 0.000 2.795 38 G HA2 0.398 4.357 3.960 -0.001 0.000 0.127 38 G HA3 0.398 4.357 3.960 -0.001 0.000 0.127 38 G C -2.156 172.718 174.900 -0.043 0.000 1.203 38 G CA -0.640 44.428 45.100 -0.053 0.000 1.145 38 G HN 0.356 nan 8.290 nan 0.000 0.580 39 P HA -0.013 nan 4.420 nan 0.000 0.217 39 P C 1.322 178.618 177.300 -0.007 0.000 1.150 39 P CA 1.205 64.287 63.100 -0.030 0.000 0.832 39 P CB 0.104 31.784 31.700 -0.034 0.000 0.787 40 K N -0.210 120.195 120.400 0.008 0.000 2.097 40 K HA -0.057 4.263 4.320 -0.001 0.000 0.205 40 K C 1.950 178.557 176.600 0.011 0.000 1.050 40 K CA 0.674 56.968 56.287 0.011 0.000 0.938 40 K CB -0.899 31.611 32.500 0.018 0.000 0.718 40 K HN 0.258 nan 8.250 nan 0.000 0.442 41 N N 1.354 120.061 118.700 0.012 0.000 2.120 41 N HA -0.157 4.582 4.740 -0.001 0.000 0.188 41 N C 1.857 177.380 175.510 0.022 0.000 1.024 41 N CA 1.183 54.245 53.050 0.019 0.000 0.852 41 N CB 0.039 38.529 38.487 0.006 0.000 1.003 41 N HN 0.341 nan 8.380 nan 0.000 0.424 42 Q N 0.834 120.638 119.800 0.007 0.000 2.084 42 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 42 Q C 1.703 177.716 176.000 0.022 0.000 0.978 42 Q CA 1.286 57.096 55.803 0.011 0.000 0.844 42 Q CB -0.042 28.693 28.738 -0.005 0.000 0.898 42 Q HN 0.436 nan 8.270 nan 0.000 0.426 43 E N 0.348 120.558 120.200 0.016 0.000 2.072 43 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 43 E C 1.897 178.518 176.600 0.035 0.000 0.985 43 E CA 0.773 57.183 56.400 0.017 0.000 0.801 43 E CB -0.074 29.630 29.700 0.006 0.000 0.750 43 E HN 0.164 nan 8.360 nan 0.000 0.452 44 L N 1.632 122.883 121.223 0.046 0.000 2.046 44 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 44 L C 1.827 178.788 176.870 0.152 0.000 1.077 44 L CA 1.823 56.716 54.840 0.088 0.000 0.747 44 L CB -0.206 41.888 42.059 0.059 0.000 0.896 44 L HN 0.026 nan 8.230 nan 0.000 0.432 45 E N -0.371 119.895 120.200 0.110 0.000 2.051 45 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 45 E C 2.197 178.867 176.600 0.117 0.000 0.991 45 E CA 1.237 57.710 56.400 0.122 0.000 0.799 45 E CB -0.360 29.393 29.700 0.087 0.000 0.748 45 E HN 0.651 nan 8.360 nan 0.000 0.449 46 A N 1.390 124.253 122.820 0.071 0.000 1.902 46 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 46 A C 2.380 179.981 177.584 0.028 0.000 1.181 46 A CA 1.727 53.788 52.037 0.039 0.000 0.623 46 A CB -0.666 18.345 19.000 0.018 0.000 0.818 46 A HN 0.301 nan 8.150 nan 0.000 0.443 47 A N -1.610 121.231 122.820 0.036 0.000 1.933 47 A HA -0.011 4.308 4.320 -0.001 0.000 0.218 47 A C 1.951 179.495 177.584 -0.067 0.000 1.175 47 A CA 1.434 53.460 52.037 -0.019 0.000 0.628 47 A CB -0.667 18.324 19.000 -0.016 0.000 0.814 47 A HN 0.471 nan 8.150 nan 0.000 0.444 48 F N -0.572 119.340 119.950 -0.063 0.000 2.325 48 F HA -0.149 4.377 4.527 -0.000 0.000 0.299 48 F C 2.527 178.268 175.800 -0.098 0.000 1.090 48 F CA 1.082 59.021 58.000 -0.102 0.000 1.392 48 F CB -0.277 38.681 39.000 -0.070 0.000 1.053 48 F HN 0.277 nan 8.300 nan 0.000 0.521 49 C N -0.522 118.821 119.300 0.071 0.000 2.466 49 C HA -0.109 4.351 4.460 -0.001 0.000 0.278 49 C C 2.772 177.724 174.990 -0.063 0.000 1.288 49 C CA 0.673 59.697 59.018 0.009 0.000 1.722 49 C CB -1.002 26.734 27.740 -0.006 0.000 2.017 49 C HN 0.373 nan 8.230 nan 0.000 0.488 50 R N 0.295 120.744 120.500 -0.084 0.000 2.081 50 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 50 R C 2.097 178.286 176.300 -0.185 0.000 1.131 50 R CA 1.257 57.291 56.100 -0.111 0.000 0.960 50 R CB -0.554 29.690 30.300 -0.094 0.000 0.856 50 R HN 0.446 nan 8.270 nan 0.000 0.436 51 L N 0.684 121.737 121.223 -0.283 0.000 2.017 51 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 51 L C 2.252 178.788 176.870 -0.557 0.000 1.073 51 L CA 2.346 56.917 54.840 -0.448 0.000 0.745 51 L CB -0.603 41.070 42.059 -0.643 0.000 0.894 51 L HN 0.284 nan 8.230 nan 0.000 0.432 52 T N -4.365 109.984 114.554 -0.342 0.000 3.009 52 T HA 0.308 4.657 4.350 -0.001 0.000 0.258 52 T C 1.576 176.243 174.700 -0.055 0.000 1.063 52 T CA 0.550 62.538 62.100 -0.187 0.000 1.139 52 T CB -0.103 68.783 68.868 0.029 0.000 0.890 52 T HN 0.677 nan 8.240 nan 0.000 0.471 53 G N 1.204 109.972 108.800 -0.052 0.000 2.179 53 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.220 53 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.220 53 G C -0.002 174.900 174.900 0.003 0.000 0.990 53 G CA -0.050 45.046 45.100 -0.007 0.000 0.646 53 G HN 0.698 nan 8.290 nan 0.000 0.517 54 N N -0.300 118.410 118.700 0.017 0.000 2.434 54 N HA 0.473 5.212 4.740 -0.001 0.000 0.266 54 N C 1.395 176.865 175.510 -0.068 0.000 1.223 54 N CA -0.100 52.962 53.050 0.019 0.000 0.972 54 N CB 1.019 39.563 38.487 0.096 0.000 1.207 54 N HN 0.157 nan 8.380 nan 0.000 0.525 55 Q N -0.019 119.684 119.800 -0.161 0.000 2.302 55 Q HA 0.206 4.545 4.340 -0.001 0.000 0.202 55 Q C -0.611 174.953 176.000 -0.727 0.000 0.936 55 Q CA 1.157 56.670 55.803 -0.484 0.000 0.886 55 Q CB 0.192 28.511 28.738 -0.699 0.000 0.986 55 Q HN 0.552 nan 8.270 nan 0.000 0.487 56 Y N -1.235 119.113 120.300 0.081 0.000 2.524 56 Y HA 0.763 5.313 4.550 -0.000 0.000 0.347 56 Y C -0.795 175.164 175.900 0.099 0.000 1.005 56 Y CA -1.615 56.533 58.100 0.080 0.000 1.025 56 Y CB 2.013 40.520 38.460 0.078 0.000 1.275 56 Y HN -0.177 nan 8.280 nan 0.000 0.460 57 A N 1.404 124.365 122.820 0.234 0.000 2.459 57 A HA 0.775 5.094 4.320 -0.001 0.000 0.296 57 A C -2.014 175.642 177.584 0.119 0.000 1.039 57 A CA -0.677 51.462 52.037 0.169 0.000 0.698 57 A CB 1.204 20.302 19.000 0.164 0.000 1.261 57 A HN 0.481 nan 8.150 nan 0.000 0.405 58 V N 2.319 122.279 119.914 0.077 0.000 2.376 58 V HA 0.615 4.735 4.120 -0.001 0.000 0.287 58 V C 0.700 176.803 176.094 0.015 0.000 1.015 58 V CA -0.273 62.049 62.300 0.037 0.000 0.834 58 V CB 1.095 32.922 31.823 0.008 0.000 1.001 58 V HN 1.300 nan 8.190 nan 0.000 0.428 59 A N 5.287 128.125 122.820 0.029 0.000 2.407 59 A HA 0.799 5.119 4.320 -0.001 0.000 0.248 59 A C 0.020 177.622 177.584 0.031 0.000 1.082 59 A CA -0.053 52.008 52.037 0.040 0.000 0.785 59 A CB 0.802 19.854 19.000 0.087 0.000 1.020 59 A HN 1.432 nan 8.150 nan 0.000 0.489 60 V N -1.090 118.834 119.914 0.016 0.000 3.165 60 V HA 0.656 4.776 4.120 -0.001 0.000 0.309 60 V C 0.878 176.993 176.094 0.035 0.000 1.267 60 V CA 0.078 62.388 62.300 0.017 0.000 1.067 60 V CB 1.084 32.869 31.823 -0.062 0.000 1.082 60 V HN 1.297 nan 8.190 nan 0.000 0.451 61 S N -0.113 115.619 115.700 0.053 0.000 2.481 61 S HA 0.207 4.676 4.470 -0.001 0.000 0.231 61 S C 0.733 175.352 174.600 0.032 0.000 0.996 61 S CA 0.642 58.891 58.200 0.081 0.000 0.942 61 S CB -0.713 62.582 63.200 0.160 0.000 0.768 61 S HN 2.191 nan 8.310 nan 0.000 0.520 62 S N -1.486 114.175 115.700 -0.065 0.000 2.595 62 S HA 0.748 5.218 4.470 -0.001 0.000 0.270 62 S C 0.432 174.941 174.600 -0.153 0.000 1.145 62 S CA -0.479 57.678 58.200 -0.072 0.000 0.825 62 S CB 0.838 64.027 63.200 -0.018 0.000 1.107 62 S HN 0.439 nan 8.310 nan 0.000 0.461 63 A N 1.176 123.918 122.820 -0.130 0.000 1.968 63 A HA 0.124 4.444 4.320 -0.001 0.000 0.217 63 A C 1.994 179.504 177.584 -0.123 0.000 1.169 63 A CA 2.137 54.085 52.037 -0.148 0.000 0.638 63 A CB -1.666 17.255 19.000 -0.133 0.000 0.812 63 A HN 0.929 nan 8.150 nan 0.000 0.446 64 T N 0.607 115.111 114.554 -0.083 0.000 2.635 64 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 64 T C 2.246 176.828 174.700 -0.196 0.000 1.040 64 T CA 1.886 63.933 62.100 -0.089 0.000 1.156 64 T CB -0.533 68.317 68.868 -0.030 0.000 0.863 64 T HN 0.615 nan 8.240 nan 0.000 0.430 65 A N 1.381 123.976 122.820 -0.376 0.000 1.908 65 A HA 0.042 4.361 4.320 -0.001 0.000 0.218 65 A C 2.648 179.946 177.584 -0.477 0.000 1.181 65 A CA 2.047 53.578 52.037 -0.844 0.000 0.627 65 A CB -1.450 16.792 19.000 -1.263 0.000 0.818 65 A HN 0.533 nan 8.150 nan 0.000 0.445 66 G N -0.821 107.808 108.800 -0.286 0.000 2.440 66 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.218 66 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.218 66 G C 1.525 176.371 174.900 -0.089 0.000 1.154 66 G CA 1.612 46.616 45.100 -0.160 0.000 0.767 66 G HN 0.458 nan 8.290 nan 0.000 0.552 67 M N 0.027 119.578 119.600 -0.082 0.000 2.117 67 M HA -0.044 4.436 4.480 -0.001 0.000 0.262 67 M C 2.094 178.417 176.300 0.039 0.000 1.065 67 M CA 2.014 57.298 55.300 -0.027 0.000 1.114 67 M CB -0.916 31.651 32.600 -0.054 0.000 1.361 67 M HN 0.510 nan 8.290 nan 0.000 0.408 68 H N -0.128 118.874 119.070 -0.114 0.000 2.267 68 H HA -0.163 4.392 4.556 -0.001 0.000 0.297 68 H C 2.016 177.343 175.328 -0.001 0.000 1.080 68 H CA 2.100 58.107 56.048 -0.069 0.000 1.278 68 H CB -0.261 29.435 29.762 -0.110 0.000 1.365 68 H HN 0.577 nan 8.280 nan 0.000 0.489 69 I N -1.106 119.449 120.570 -0.026 0.000 2.493 69 I HA -0.027 4.143 4.170 -0.001 0.000 0.254 69 I C 2.554 178.651 176.117 -0.033 0.000 1.160 69 I CA 1.230 62.492 61.300 -0.064 0.000 1.445 69 I CB -0.420 37.544 38.000 -0.059 0.000 1.086 69 I HN 0.215 nan 8.210 nan 0.000 0.433 70 A N 2.379 125.211 122.820 0.021 0.000 1.873 70 A HA -0.021 4.299 4.320 -0.001 0.000 0.215 70 A C 2.338 180.075 177.584 0.256 0.000 1.186 70 A CA 1.567 53.701 52.037 0.161 0.000 0.616 70 A CB -0.892 18.252 19.000 0.240 0.000 0.823 70 A HN 0.531 nan 8.150 nan 0.000 0.442 71 L N -1.344 119.978 121.223 0.164 0.000 2.141 71 L HA -0.109 4.231 4.340 -0.001 0.000 0.209 71 L C 2.770 179.731 176.870 0.151 0.000 1.094 71 L CA 1.472 56.401 54.840 0.148 0.000 0.763 71 L CB -0.428 41.694 42.059 0.105 0.000 0.908 71 L HN 0.536 nan 8.230 nan 0.000 0.437 72 M N -0.033 119.655 119.600 0.147 0.000 2.132 72 M HA -0.161 4.319 4.480 -0.001 0.000 0.263 72 M C 2.364 178.726 176.300 0.103 0.000 1.065 72 M CA 1.870 57.248 55.300 0.131 0.000 1.122 72 M CB -0.068 32.602 32.600 0.116 0.000 1.365 72 M HN 0.243 nan 8.290 nan 0.000 0.411 73 A N 0.375 123.244 122.820 0.081 0.000 2.019 73 A HA -0.113 4.207 4.320 -0.001 0.000 0.219 73 A C 1.915 179.633 177.584 0.224 0.000 1.164 73 A CA 1.223 53.300 52.037 0.066 0.000 0.644 73 A CB -0.974 17.905 19.000 -0.202 0.000 0.805 73 A HN 0.604 nan 8.150 nan 0.000 0.449 74 L N -1.197 120.195 121.223 0.281 0.000 2.551 74 L HA 0.081 4.421 4.340 -0.001 0.000 0.228 74 L C 1.721 178.662 176.870 0.119 0.000 1.153 74 L CA 0.573 55.535 54.840 0.204 0.000 0.851 74 L CB -0.351 41.797 42.059 0.149 0.000 0.959 74 L HN 0.603 nan 8.230 nan 0.000 0.451 75 G N 0.674 109.538 108.800 0.107 0.000 2.143 75 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.248 75 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.248 75 G C 0.287 175.230 174.900 0.071 0.000 0.991 75 G CA -0.232 44.915 45.100 0.078 0.000 0.689 75 G HN 0.291 nan 8.290 nan 0.000 0.522 76 I N 0.901 121.519 120.570 0.080 0.000 2.648 76 I HA 0.445 4.614 4.170 -0.001 0.000 0.284 76 I C 1.296 177.454 176.117 0.069 0.000 1.153 76 I CA 1.406 62.747 61.300 0.068 0.000 1.426 76 I CB 0.810 38.851 38.000 0.068 0.000 1.381 76 I HN 0.355 nan 8.210 nan 0.000 0.571 77 G N 3.042 111.876 108.800 0.056 0.000 2.588 77 G HA2 0.484 4.444 3.960 -0.001 0.000 0.281 77 G HA3 0.484 4.444 3.960 -0.001 0.000 0.281 77 G C -0.724 174.204 174.900 0.046 0.000 1.223 77 G CA -0.117 45.016 45.100 0.055 0.000 0.871 77 G HN 0.630 nan 8.290 nan 0.000 0.492 78 E N -0.598 119.627 120.200 0.041 0.000 2.652 78 E HA 0.436 4.786 4.350 -0.001 0.000 0.255 78 E C 1.491 178.110 176.600 0.032 0.000 0.952 78 E CA 1.244 57.665 56.400 0.036 0.000 0.947 78 E CB -0.483 29.235 29.700 0.030 0.000 0.912 78 E HN 2.637 nan 8.360 nan 0.000 0.489 79 G N 2.637 111.457 108.800 0.033 0.000 2.299 79 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.237 79 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.237 79 G C 0.307 175.225 174.900 0.030 0.000 1.027 79 G CA 0.190 45.308 45.100 0.029 0.000 0.619 79 G HN 0.757 nan 8.290 nan 0.000 0.513 80 D N 1.766 122.185 120.400 0.032 0.000 2.341 80 D HA 0.504 5.143 4.640 -0.001 0.000 0.245 80 D C 0.556 176.873 176.300 0.029 0.000 1.106 80 D CA 0.327 54.343 54.000 0.028 0.000 0.905 80 D CB 0.924 41.743 40.800 0.032 0.000 1.202 80 D HN 0.579 nan 8.370 nan 0.000 0.426 81 E N 0.063 120.273 120.200 0.016 0.000 2.207 81 E HA 0.553 4.902 4.350 -0.001 0.000 0.270 81 E C -0.927 175.669 176.600 -0.007 0.000 0.927 81 E CA -0.975 55.430 56.400 0.008 0.000 0.799 81 E CB 2.357 32.053 29.700 -0.006 0.000 1.172 81 E HN 0.031 nan 8.360 nan 0.000 0.404 82 V N 3.693 123.598 119.914 -0.016 0.000 2.482 82 V HA 0.306 4.425 4.120 -0.001 0.000 0.295 82 V C -0.364 175.693 176.094 -0.062 0.000 1.026 82 V CA -0.601 61.679 62.300 -0.032 0.000 0.856 82 V CB 1.324 33.134 31.823 -0.021 0.000 1.001 82 V HN 0.592 nan 8.190 nan 0.000 0.424 83 I N 4.237 124.763 120.570 -0.074 0.000 2.441 83 I HA 0.538 4.708 4.170 -0.001 0.000 0.287 83 I C 0.402 176.457 176.117 -0.103 0.000 1.049 83 I CA 0.592 61.834 61.300 -0.096 0.000 1.381 83 I CB 1.536 39.478 38.000 -0.096 0.000 1.409 83 I HN 0.715 nan 8.210 nan 0.000 0.523 84 T N 6.919 121.399 114.554 -0.123 0.000 2.942 84 T HA 0.425 4.774 4.350 -0.001 0.000 0.327 84 T C -2.889 171.727 174.700 -0.139 0.000 1.360 84 T CA -1.454 60.570 62.100 -0.128 0.000 1.055 84 T CB 1.983 70.768 68.868 -0.138 0.000 1.261 84 T HN 0.235 nan 8.240 nan 0.000 0.485 85 P HA 0.219 nan 4.420 nan 0.000 0.274 85 P C 0.458 177.684 177.300 -0.124 0.000 1.237 85 P CA -0.152 62.886 63.100 -0.103 0.000 0.793 85 P CB 1.031 32.707 31.700 -0.041 0.000 0.977 86 S N 1.052 116.682 115.700 -0.118 0.000 2.458 86 S HA -0.003 4.467 4.470 -0.001 0.000 0.223 86 S C 1.094 175.699 174.600 0.008 0.000 1.019 86 S CA 0.121 58.269 58.200 -0.086 0.000 0.937 86 S CB -0.638 62.546 63.200 -0.027 0.000 0.788 86 S HN 0.321 nan 8.310 nan 0.000 0.511 87 M N 3.114 122.749 119.600 0.059 0.000 2.821 87 M HA 0.411 4.891 4.480 -0.001 0.000 0.305 87 M C -0.168 176.295 176.300 0.272 0.000 1.466 87 M CA 0.217 55.633 55.300 0.192 0.000 1.526 87 M CB -1.093 31.593 32.600 0.143 0.000 1.321 87 M HN 0.281 nan 8.290 nan 0.000 0.492 88 T N 2.655 117.257 114.554 0.080 0.000 2.663 88 T HA 0.182 4.532 4.350 -0.001 0.000 0.305 88 T C -2.083 172.137 174.700 -0.800 0.000 1.660 88 T CA -0.797 61.142 62.100 -0.267 0.000 0.976 88 T CB 0.166 68.938 68.868 -0.160 0.000 1.705 88 T HN 0.629 nan 8.240 nan 0.000 0.494 89 W N 2.838 123.397 121.300 -1.236 0.000 2.170 89 W HA 0.375 5.035 4.660 0.001 0.000 0.336 89 W C 1.669 177.929 176.519 -0.431 0.000 1.283 89 W CA -0.125 56.671 57.345 -0.916 0.000 1.224 89 W CB 0.875 30.003 29.460 -0.554 0.000 1.132 89 W HN 0.644 nan 8.180 nan 0.000 0.571 90 V N 1.665 120.923 119.914 -1.094 0.000 2.867 90 V HA -0.276 3.844 4.120 -0.001 0.000 0.260 90 V C 2.101 177.785 176.094 -0.682 0.000 1.099 90 V CA 2.275 64.067 62.300 -0.847 0.000 1.122 90 V CB -1.011 30.338 31.823 -0.790 0.000 0.708 90 V HN 0.704 nan 8.190 nan 0.000 0.490 91 S N 1.065 116.286 115.700 -0.799 0.000 2.372 91 S HA -0.315 4.155 4.470 -0.001 0.000 0.227 91 S C 1.908 176.369 174.600 -0.231 0.000 1.044 91 S CA 2.348 60.337 58.200 -0.352 0.000 1.050 91 S CB -1.670 61.482 63.200 -0.080 0.000 0.901 91 S HN 0.663 nan 8.310 nan 0.000 0.447 92 T N 3.068 117.492 114.554 -0.216 0.000 2.708 92 T HA 0.045 4.394 4.350 -0.001 0.000 0.266 92 T C 1.778 176.382 174.700 -0.160 0.000 1.037 92 T CA 1.342 63.343 62.100 -0.165 0.000 1.146 92 T CB -0.439 68.333 68.868 -0.160 0.000 0.865 92 T HN 0.165 nan 8.240 nan 0.000 0.435 93 L N 1.830 122.922 121.223 -0.218 0.000 2.012 93 L HA -0.087 4.253 4.340 -0.001 0.000 0.210 93 L C 2.327 179.190 176.870 -0.011 0.000 1.073 93 L CA 1.725 56.459 54.840 -0.178 0.000 0.748 93 L CB -1.574 40.190 42.059 -0.491 0.000 0.891 93 L HN 0.281 nan 8.230 nan 0.000 0.431 94 N N -0.557 118.113 118.700 -0.051 0.000 2.104 94 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 94 N C 1.768 177.211 175.510 -0.112 0.000 1.024 94 N CA 1.187 54.200 53.050 -0.061 0.000 0.853 94 N CB -0.209 38.192 38.487 -0.143 0.000 1.008 94 N HN 0.222 nan 8.380 nan 0.000 0.424 95 M N 0.371 119.889 119.600 -0.137 0.000 2.175 95 M HA 0.015 4.494 4.480 -0.001 0.000 0.264 95 M C 2.148 178.398 176.300 -0.084 0.000 1.063 95 M CA 0.772 55.974 55.300 -0.164 0.000 1.119 95 M CB -0.905 31.611 32.600 -0.140 0.000 1.377 95 M HN 0.086 nan 8.290 nan 0.000 0.415 96 I N -0.504 120.044 120.570 -0.037 0.000 2.142 96 I HA -0.251 3.919 4.170 -0.001 0.000 0.240 96 I C 2.419 178.555 176.117 0.033 0.000 1.078 96 I CA 0.949 62.254 61.300 0.008 0.000 1.343 96 I CB -0.492 37.517 38.000 0.015 0.000 1.046 96 I HN -0.006 nan 8.210 nan 0.000 0.405 97 V N 0.916 120.862 119.914 0.054 0.000 2.295 97 V HA -0.271 3.849 4.120 -0.001 0.000 0.246 97 V C 2.336 178.427 176.094 -0.004 0.000 1.049 97 V CA 1.728 64.067 62.300 0.066 0.000 1.024 97 V CB -0.528 31.349 31.823 0.090 0.000 0.648 97 V HN 0.374 nan 8.190 nan 0.000 0.447 98 L N -0.844 120.339 121.223 -0.066 0.000 2.275 98 L HA -0.117 4.223 4.340 -0.001 0.000 0.215 98 L C 2.144 178.992 176.870 -0.037 0.000 1.119 98 L CA 1.099 55.885 54.840 -0.090 0.000 0.790 98 L CB -0.340 41.615 42.059 -0.174 0.000 0.919 98 L HN 0.315 nan 8.230 nan 0.000 0.443 99 L N -0.675 120.542 121.223 -0.009 0.000 2.554 99 L HA 0.064 4.404 4.340 -0.001 0.000 0.226 99 L C 1.545 178.449 176.870 0.056 0.000 1.137 99 L CA 0.699 55.571 54.840 0.054 0.000 0.863 99 L CB -0.201 41.904 42.059 0.077 0.000 0.985 99 L HN 0.486 nan 8.230 nan 0.000 0.451 100 G N -0.652 108.172 108.800 0.041 0.000 2.176 100 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.232 100 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.232 100 G C 0.350 175.282 174.900 0.052 0.000 0.986 100 G CA 0.010 45.137 45.100 0.044 0.000 0.643 100 G HN 0.486 nan 8.290 nan 0.000 0.522 101 A N -0.252 122.602 122.820 0.058 0.000 2.257 101 A HA 0.724 5.044 4.320 -0.001 0.000 0.289 101 A C 0.126 177.763 177.584 0.088 0.000 1.095 101 A CA -0.350 51.724 52.037 0.063 0.000 0.836 101 A CB 0.440 19.472 19.000 0.053 0.000 1.111 101 A HN 0.337 nan 8.150 nan 0.000 0.497 102 N N 1.546 120.301 118.700 0.091 0.000 2.444 102 N HA 0.416 5.155 4.740 -0.001 0.000 0.262 102 N C -2.940 172.634 175.510 0.107 0.000 0.974 102 N CA -1.400 51.734 53.050 0.139 0.000 0.933 102 N CB 1.454 40.022 38.487 0.134 0.000 1.137 102 N HN 0.355 nan 8.380 nan 0.000 0.498 103 P HA 0.138 nan 4.420 nan 0.000 0.281 103 P C -0.499 176.733 177.300 -0.114 0.000 1.252 103 P CA -0.325 62.781 63.100 0.009 0.000 0.778 103 P CB 1.143 32.858 31.700 0.026 0.000 0.895 104 V N 5.332 125.159 119.914 -0.144 0.000 2.284 104 V HA 0.254 4.374 4.120 -0.001 0.000 0.274 104 V C 0.621 176.576 176.094 -0.233 0.000 1.023 104 V CA -0.322 61.862 62.300 -0.193 0.000 0.808 104 V CB 0.393 32.145 31.823 -0.119 0.000 1.035 104 V HN 0.515 nan 8.190 nan 0.000 0.445 105 M N 5.199 124.599 119.600 -0.333 0.000 2.211 105 M HA 0.520 5.000 4.480 -0.001 0.000 0.356 105 M C -0.169 175.963 176.300 -0.281 0.000 1.216 105 M CA -0.216 54.900 55.300 -0.307 0.000 1.134 105 M CB 1.350 33.730 32.600 -0.366 0.000 1.564 105 M HN 0.545 nan 8.290 nan 0.000 0.463 106 V N -1.186 118.588 119.914 -0.232 0.000 3.046 106 V HA 0.630 4.750 4.120 -0.001 0.000 0.316 106 V C -0.568 175.374 176.094 -0.254 0.000 1.104 106 V CA -1.051 61.108 62.300 -0.234 0.000 1.006 106 V CB 1.913 33.650 31.823 -0.142 0.000 1.058 106 V HN 0.677 nan 8.190 nan 0.000 0.440 107 D N 0.263 120.423 120.400 -0.400 0.000 2.383 107 D HA 0.585 5.224 4.640 -0.001 0.000 0.248 107 D C -0.143 176.108 176.300 -0.081 0.000 1.170 107 D CA 0.279 54.074 54.000 -0.342 0.000 0.977 107 D CB 1.846 42.298 40.800 -0.580 0.000 1.120 107 D HN 0.966 nan 8.370 nan 0.000 0.481 108 V N -1.335 118.581 119.914 0.003 0.000 3.126 108 V HA 0.438 4.558 4.120 -0.001 0.000 0.314 108 V C 0.033 176.177 176.094 0.085 0.000 1.138 108 V CA -1.058 61.281 62.300 0.065 0.000 1.034 108 V CB 1.703 33.517 31.823 -0.015 0.000 1.075 108 V HN 0.524 nan 8.190 nan 0.000 0.442 109 D N 0.930 121.365 120.400 0.057 0.000 2.488 109 D HA -0.001 4.639 4.640 -0.001 0.000 0.238 109 D C 0.998 177.299 176.300 0.003 0.000 1.138 109 D CA 0.211 54.228 54.000 0.030 0.000 0.873 109 D CB 1.065 41.875 40.800 0.016 0.000 1.183 109 D HN 0.742 nan 8.370 nan 0.000 0.458 110 R N 2.508 123.006 120.500 -0.003 0.000 2.193 110 R HA -0.111 4.228 4.340 -0.001 0.000 0.229 110 R C 0.488 176.793 176.300 0.008 0.000 1.110 110 R CA 1.230 57.326 56.100 -0.008 0.000 0.988 110 R CB 0.303 30.548 30.300 -0.091 0.000 0.871 110 R HN 0.520 nan 8.270 nan 0.000 0.458 111 D N -2.100 118.290 120.400 -0.018 0.000 2.454 111 D HA -0.014 4.625 4.640 -0.001 0.000 0.219 111 D C 1.304 177.582 176.300 -0.037 0.000 1.081 111 D CA 0.982 54.975 54.000 -0.010 0.000 0.867 111 D CB 0.829 41.616 40.800 -0.023 0.000 1.054 111 D HN 0.303 nan 8.370 nan 0.000 0.500 112 T N -1.563 112.953 114.554 -0.062 0.000 3.001 112 T HA 0.198 4.547 4.350 -0.001 0.000 0.251 112 T C 1.319 175.928 174.700 -0.151 0.000 1.040 112 T CA -0.142 61.908 62.100 -0.083 0.000 0.985 112 T CB 0.330 69.148 68.868 -0.083 0.000 1.011 112 T HN 0.089 nan 8.240 nan 0.000 0.509 113 L N -0.187 120.922 121.223 -0.190 0.000 4.040 113 L HA -0.139 4.200 4.340 -0.001 0.000 0.410 113 L C -0.029 176.661 176.870 -0.300 0.000 1.187 113 L CA 0.328 54.946 54.840 -0.370 0.000 0.956 113 L CB -1.922 39.617 42.059 -0.865 0.000 2.022 113 L HN 0.487 nan 8.230 nan 0.000 0.897 114 M N -0.175 119.377 119.600 -0.079 0.000 2.436 114 M HA 0.441 4.921 4.480 -0.001 0.000 0.331 114 M C 0.163 176.488 176.300 0.042 0.000 1.135 114 M CA -0.536 54.780 55.300 0.028 0.000 0.987 114 M CB 2.677 35.349 32.600 0.120 0.000 1.687 114 M HN -0.043 nan 8.290 nan 0.000 0.445 115 V N 3.535 123.466 119.914 0.028 0.000 2.529 115 V HA 0.099 4.219 4.120 -0.001 0.000 0.292 115 V C 0.315 176.423 176.094 0.023 0.000 1.028 115 V CA 0.303 62.617 62.300 0.023 0.000 1.074 115 V CB 0.832 32.642 31.823 -0.022 0.000 0.958 115 V HN 0.981 nan 8.190 nan 0.000 0.481 116 T N 5.147 119.727 114.554 0.044 0.000 2.922 116 T HA 0.452 4.802 4.350 -0.001 0.000 0.285 116 T C -1.760 172.911 174.700 -0.050 0.000 1.005 116 T CA -1.658 60.433 62.100 -0.015 0.000 1.061 116 T CB 1.373 70.181 68.868 -0.100 0.000 1.007 116 T HN 0.490 nan 8.240 nan 0.000 0.502 117 P HA -0.013 nan 4.420 nan 0.000 0.215 117 P C 1.860 179.122 177.300 -0.064 0.000 1.153 117 P CA 1.910 64.968 63.100 -0.070 0.000 0.853 117 P CB -0.241 31.416 31.700 -0.070 0.000 0.788 118 E N -0.258 119.879 120.200 -0.105 0.000 2.058 118 E HA -0.285 4.065 4.350 -0.001 0.000 0.194 118 E C 1.974 178.532 176.600 -0.070 0.000 0.997 118 E CA 1.544 57.872 56.400 -0.120 0.000 0.801 118 E CB -1.985 27.591 29.700 -0.208 0.000 0.746 118 E HN 0.400 nan 8.360 nan 0.000 0.450 119 H N -0.040 119.001 119.070 -0.048 0.000 2.387 119 H HA 0.033 4.589 4.556 -0.000 0.000 0.299 119 H C 2.358 177.637 175.328 -0.083 0.000 1.090 119 H CA 1.384 57.393 56.048 -0.065 0.000 1.332 119 H CB -0.316 29.407 29.762 -0.065 0.000 1.386 119 H HN 0.439 nan 8.280 nan 0.000 0.516 120 I N 0.490 121.077 120.570 0.030 0.000 2.142 120 I HA -0.231 3.939 4.170 -0.001 0.000 0.240 120 I C 2.633 178.701 176.117 -0.083 0.000 1.078 120 I CA 1.430 62.705 61.300 -0.042 0.000 1.343 120 I CB -0.229 37.735 38.000 -0.061 0.000 1.046 120 I HN 0.230 nan 8.210 nan 0.000 0.405 121 E N 1.233 121.388 120.200 -0.076 0.000 2.110 121 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 121 E C 2.177 178.707 176.600 -0.116 0.000 0.988 121 E CA 1.238 57.565 56.400 -0.121 0.000 0.804 121 E CB -0.033 29.643 29.700 -0.039 0.000 0.745 121 E HN 0.487 nan 8.360 nan 0.000 0.458 122 A N 0.490 123.278 122.820 -0.053 0.000 2.121 122 A HA 0.032 4.351 4.320 -0.001 0.000 0.218 122 A C 2.120 179.665 177.584 -0.064 0.000 1.154 122 A CA 1.354 53.367 52.037 -0.040 0.000 0.679 122 A CB -0.297 18.708 19.000 0.007 0.000 0.795 122 A HN 0.363 nan 8.150 nan 0.000 0.458 123 A N -0.869 121.900 122.820 -0.085 0.000 2.267 123 A HA 0.434 4.754 4.320 -0.001 0.000 0.213 123 A C 0.756 178.267 177.584 -0.122 0.000 1.192 123 A CA -0.312 51.668 52.037 -0.094 0.000 0.851 123 A CB -0.202 18.741 19.000 -0.096 0.000 0.881 123 A HN 0.412 nan 8.150 nan 0.000 0.494 124 I N 1.789 122.249 120.570 -0.183 0.000 2.692 124 I HA 0.188 4.358 4.170 -0.001 0.000 0.284 124 I C 0.946 176.961 176.117 -0.170 0.000 1.159 124 I CA 0.529 61.686 61.300 -0.238 0.000 1.423 124 I CB 1.191 38.893 38.000 -0.496 0.000 1.380 124 I HN 0.417 nan 8.210 nan 0.000 0.580 125 T N 2.352 116.836 114.554 -0.116 0.000 2.778 125 T HA 0.420 4.770 4.350 -0.001 0.000 0.293 125 T C -2.408 172.272 174.700 -0.034 0.000 1.144 125 T CA -1.431 60.634 62.100 -0.059 0.000 1.010 125 T CB 1.657 70.504 68.868 -0.036 0.000 1.325 125 T HN 0.198 nan 8.240 nan 0.000 0.515 126 P HA 0.104 nan 4.420 nan 0.000 0.230 126 P C 0.936 178.240 177.300 0.007 0.000 1.158 126 P CA 0.672 63.779 63.100 0.011 0.000 0.769 126 P CB 0.042 31.753 31.700 0.017 0.000 0.807 127 Q N -1.595 118.205 119.800 -0.001 0.000 2.425 127 Q HA 0.078 4.417 4.340 -0.001 0.000 0.204 127 Q C 0.281 176.278 176.000 -0.005 0.000 0.933 127 Q CA 0.514 56.318 55.803 0.002 0.000 0.939 127 Q CB -0.938 27.803 28.738 0.005 0.000 1.044 127 Q HN 0.125 nan 8.270 nan 0.000 0.513 128 T N 1.458 116.000 114.554 -0.020 0.000 2.817 128 T HA 0.075 4.424 4.350 -0.001 0.000 0.295 128 T C 0.844 175.536 174.700 -0.015 0.000 0.958 128 T CA 0.094 62.176 62.100 -0.030 0.000 1.157 128 T CB 0.569 69.398 68.868 -0.065 0.000 0.898 128 T HN -0.004 nan 8.240 nan 0.000 0.536 129 K N 0.906 121.300 120.400 -0.009 0.000 2.402 129 K HA 0.502 4.821 4.320 -0.001 0.000 0.203 129 K C 0.318 176.914 176.600 -0.007 0.000 1.077 129 K CA -0.040 56.248 56.287 0.000 0.000 1.051 129 K CB 1.156 33.664 32.500 0.013 0.000 0.907 129 K HN 0.687 nan 8.250 nan 0.000 0.554 130 A N 0.798 123.607 122.820 -0.018 0.000 2.599 130 A HA 0.692 5.012 4.320 -0.001 0.000 0.294 130 A C -1.577 175.982 177.584 -0.041 0.000 1.055 130 A CA -0.686 51.335 52.037 -0.026 0.000 0.683 130 A CB 1.025 20.015 19.000 -0.017 0.000 1.278 130 A HN 0.071 nan 8.150 nan 0.000 0.412 131 I N 2.157 122.698 120.570 -0.048 0.000 2.447 131 I HA 0.407 4.576 4.170 -0.001 0.000 0.287 131 I C -0.983 175.088 176.117 -0.077 0.000 1.023 131 I CA -0.486 60.775 61.300 -0.065 0.000 1.083 131 I CB 1.862 39.826 38.000 -0.060 0.000 1.245 131 I HN 0.423 nan 8.210 nan 0.000 0.434 132 I N 7.747 128.260 120.570 -0.096 0.000 2.502 132 I HA 0.338 4.508 4.170 -0.001 0.000 0.276 132 I C -2.383 173.642 176.117 -0.153 0.000 1.057 132 I CA -2.071 59.157 61.300 -0.119 0.000 1.163 132 I CB 0.361 38.294 38.000 -0.111 0.000 1.288 132 I HN 0.218 nan 8.210 nan 0.000 0.479 133 P HA 0.331 nan 4.420 nan 0.000 0.276 133 P C -0.509 176.593 177.300 -0.329 0.000 1.244 133 P CA -0.315 62.642 63.100 -0.238 0.000 0.801 133 P CB 2.170 33.698 31.700 -0.288 0.000 1.006 134 V N 3.002 122.757 119.914 -0.264 0.000 2.409 134 V HA 0.176 4.296 4.120 -0.001 0.000 0.291 134 V C 0.309 176.267 176.094 -0.227 0.000 1.020 134 V CA -0.660 61.478 62.300 -0.270 0.000 0.848 134 V CB 0.749 32.520 31.823 -0.086 0.000 0.990 134 V HN 0.540 nan 8.190 nan 0.000 0.430 135 H N 4.313 123.334 119.070 -0.082 0.000 3.205 135 H HA 0.140 4.696 4.556 -0.000 0.000 0.262 135 H C -0.405 174.940 175.328 0.028 0.000 1.333 135 H CA -0.095 55.935 56.048 -0.029 0.000 1.499 135 H CB -0.225 29.497 29.762 -0.067 0.000 1.609 135 H HN 0.624 nan 8.280 nan 0.000 0.498 136 Y N 1.729 122.090 120.300 0.102 0.000 2.605 136 Y HA 0.141 4.691 4.550 -0.001 0.000 0.336 136 Y C 1.253 177.257 175.900 0.173 0.000 1.111 136 Y CA 0.798 59.013 58.100 0.191 0.000 1.422 136 Y CB 0.380 38.916 38.460 0.127 0.000 1.193 136 Y HN 0.820 nan 8.280 nan 0.000 0.526 137 A N 3.364 126.338 122.820 0.258 0.000 3.420 137 A HA -0.250 4.070 4.320 -0.001 0.000 0.269 137 A C 1.615 179.272 177.584 0.121 0.000 1.122 137 A CA 1.683 53.774 52.037 0.091 0.000 1.023 137 A CB -2.095 16.980 19.000 0.126 0.000 1.099 137 A HN 1.963 nan 8.150 nan 0.000 0.860 138 G N -3.228 105.578 108.800 0.011 0.000 2.624 138 G HA2 0.438 4.398 3.960 -0.001 0.000 0.190 138 G HA3 0.438 4.398 3.960 -0.001 0.000 0.190 138 G C 0.621 175.176 174.900 -0.575 0.000 1.008 138 G CA 1.063 46.082 45.100 -0.135 0.000 0.731 138 G HN 2.296 nan 8.290 nan 0.000 0.478 139 A N 1.583 123.937 122.820 -0.776 0.000 2.302 139 A HA 0.839 5.158 4.320 -0.001 0.000 0.285 139 A C -2.350 175.156 177.584 -0.131 0.000 1.105 139 A CA -1.216 50.453 52.037 -0.614 0.000 0.816 139 A CB 1.013 19.641 19.000 -0.620 0.000 1.067 139 A HN 0.171 nan 8.150 nan 0.000 0.489 140 P HA 0.476 nan 4.420 nan 0.000 0.290 140 P C -0.412 177.151 177.300 0.439 0.000 1.275 140 P CA -0.162 63.045 63.100 0.178 0.000 0.841 140 P CB 1.615 33.433 31.700 0.196 0.000 1.042 141 A N 1.670 124.728 122.820 0.398 0.000 2.272 141 A HA 0.208 4.528 4.320 -0.001 0.000 0.275 141 A C 0.426 177.808 177.584 -0.337 0.000 1.096 141 A CA -0.282 51.845 52.037 0.150 0.000 0.822 141 A CB -0.378 18.594 19.000 -0.047 0.000 1.088 141 A HN 0.495 nan 8.150 nan 0.000 0.495 142 D N 1.061 121.098 120.400 -0.605 0.000 2.541 142 D HA 0.134 4.773 4.640 -0.001 0.000 0.231 142 D C 1.226 177.037 176.300 -0.814 0.000 1.163 142 D CA 0.226 53.584 54.000 -1.070 0.000 1.077 142 D CB -0.448 39.804 40.800 -0.913 0.000 1.110 142 D HN 0.462 nan 8.370 nan 0.000 0.499 143 L N 1.366 121.873 121.223 -1.194 0.000 2.012 143 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 143 L C 1.831 178.247 176.870 -0.757 0.000 1.073 143 L CA 1.026 55.165 54.840 -1.167 0.000 0.748 143 L CB -0.227 40.968 42.059 -1.440 0.000 0.891 143 L HN 0.241 nan 8.230 nan 0.000 0.431 144 D N 0.344 120.560 120.400 -0.306 0.000 2.103 144 D HA -0.223 4.417 4.640 -0.001 0.000 0.190 144 D C 2.189 178.437 176.300 -0.087 0.000 0.997 144 D CA 1.813 55.788 54.000 -0.040 0.000 0.833 144 D CB -0.152 40.689 40.800 0.069 0.000 0.961 144 D HN 0.355 nan 8.370 nan 0.000 0.447 145 A N 0.661 123.390 122.820 -0.151 0.000 1.902 145 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 145 A C 2.455 179.966 177.584 -0.120 0.000 1.181 145 A CA 1.081 53.049 52.037 -0.115 0.000 0.623 145 A CB -0.752 18.167 19.000 -0.135 0.000 0.818 145 A HN 0.222 nan 8.150 nan 0.000 0.443 146 I N -1.957 118.472 120.570 -0.234 0.000 2.252 146 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 146 I C 2.353 178.426 176.117 -0.072 0.000 1.102 146 I CA 1.367 62.550 61.300 -0.195 0.000 1.385 146 I CB -0.441 37.379 38.000 -0.299 0.000 1.064 146 I HN 0.444 nan 8.210 nan 0.000 0.414 147 Y N 0.556 120.805 120.300 -0.086 0.000 2.242 147 Y HA -0.193 4.357 4.550 -0.001 0.000 0.291 147 Y C 2.721 178.603 175.900 -0.030 0.000 1.137 147 Y CA 0.342 58.408 58.100 -0.057 0.000 1.181 147 Y CB -0.305 38.122 38.460 -0.055 0.000 0.989 147 Y HN 0.146 nan 8.280 nan 0.000 0.527 148 A N 0.363 123.261 122.820 0.129 0.000 1.883 148 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 148 A C 2.065 179.692 177.584 0.072 0.000 1.186 148 A CA 1.448 53.528 52.037 0.072 0.000 0.624 148 A CB -0.878 18.146 19.000 0.039 0.000 0.822 148 A HN 0.321 nan 8.150 nan 0.000 0.444 149 L N -0.151 121.128 121.223 0.093 0.000 2.012 149 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 149 L C 2.753 179.751 176.870 0.213 0.000 1.073 149 L CA 2.097 57.048 54.840 0.185 0.000 0.748 149 L CB -1.922 40.213 42.059 0.127 0.000 0.891 149 L HN 0.438 nan 8.230 nan 0.000 0.431 150 G N -1.076 107.802 108.800 0.131 0.000 2.440 150 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.218 150 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.218 150 G C 1.524 176.474 174.900 0.083 0.000 1.154 150 G CA 1.379 46.543 45.100 0.107 0.000 0.767 150 G HN 0.499 nan 8.290 nan 0.000 0.552 151 E N 0.625 120.860 120.200 0.058 0.000 2.107 151 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 151 E C 2.321 178.911 176.600 -0.017 0.000 0.982 151 E CA 1.385 57.792 56.400 0.012 0.000 0.809 151 E CB -0.542 29.158 29.700 0.000 0.000 0.756 151 E HN 0.575 nan 8.360 nan 0.000 0.459 152 R N -1.241 119.233 120.500 -0.044 0.000 2.070 152 R HA -0.113 4.227 4.340 -0.001 0.000 0.233 152 R C 2.021 178.165 176.300 -0.260 0.000 1.137 152 R CA 2.066 58.044 56.100 -0.203 0.000 0.945 152 R CB -0.422 29.671 30.300 -0.345 0.000 0.845 152 R HN 0.551 nan 8.270 nan 0.000 0.430 153 Y N -0.616 119.678 120.300 -0.009 0.000 2.511 153 Y HA 0.256 4.805 4.550 -0.001 0.000 0.279 153 Y C 1.215 177.108 175.900 -0.012 0.000 1.157 153 Y CA 0.484 58.578 58.100 -0.010 0.000 1.300 153 Y CB 0.605 39.058 38.460 -0.011 0.000 1.052 153 Y HN 0.450 nan 8.280 nan 0.000 0.529 154 G N 1.387 110.243 108.800 0.093 0.000 2.256 154 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.272 154 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.272 154 G C -0.381 174.549 174.900 0.050 0.000 1.076 154 G CA -0.002 45.127 45.100 0.049 0.000 0.882 154 G HN 0.350 nan 8.290 nan 0.000 0.497 155 I N 0.478 121.081 120.570 0.056 0.000 2.418 155 I HA 0.327 4.496 4.170 -0.001 0.000 0.287 155 I C -2.139 173.979 176.117 0.001 0.000 1.008 155 I CA -2.629 58.687 61.300 0.027 0.000 1.104 155 I CB 2.276 40.293 38.000 0.029 0.000 1.264 155 I HN -0.137 nan 8.210 nan 0.000 0.438 156 P HA 0.067 nan 4.420 nan 0.000 0.265 156 P C -0.756 176.519 177.300 -0.043 0.000 1.193 156 P CA -0.101 62.961 63.100 -0.064 0.000 0.765 156 P CB 0.596 32.232 31.700 -0.106 0.000 0.823 157 V N 5.310 125.205 119.914 -0.031 0.000 2.370 157 V HA 0.310 4.429 4.120 -0.001 0.000 0.283 157 V C 0.087 176.171 176.094 -0.017 0.000 1.023 157 V CA -0.381 61.921 62.300 0.004 0.000 0.857 157 V CB 1.207 33.096 31.823 0.110 0.000 0.985 157 V HN 0.365 nan 8.190 nan 0.000 0.443 158 I N 4.369 124.918 120.570 -0.036 0.000 2.390 158 I HA 0.410 4.579 4.170 -0.001 0.000 0.283 158 I C 0.312 176.390 176.117 -0.066 0.000 1.016 158 I CA -0.624 60.657 61.300 -0.033 0.000 1.151 158 I CB 1.544 39.534 38.000 -0.016 0.000 1.293 158 I HN 0.670 nan 8.210 nan 0.000 0.458 159 E N 3.958 124.122 120.200 -0.060 0.000 2.289 159 E HA 0.086 4.436 4.350 -0.001 0.000 0.278 159 E C -0.386 176.095 176.600 -0.199 0.000 1.032 159 E CA -0.393 55.920 56.400 -0.144 0.000 0.854 159 E CB 1.337 31.017 29.700 -0.033 0.000 1.046 159 E HN 0.300 nan 8.360 nan 0.000 0.409 160 D N 2.560 122.792 120.400 -0.279 0.000 2.393 160 D HA 0.167 4.807 4.640 -0.001 0.000 0.232 160 D C -0.576 175.544 176.300 -0.299 0.000 1.192 160 D CA -0.275 53.563 54.000 -0.270 0.000 0.882 160 D CB 0.808 41.454 40.800 -0.256 0.000 1.038 160 D HN 0.472 nan 8.370 nan 0.000 0.499 161 A N 3.371 126.001 122.820 -0.317 0.000 2.713 161 A HA 0.495 4.815 4.320 -0.001 0.000 0.296 161 A C 1.538 178.967 177.584 -0.259 0.000 1.255 161 A CA 0.213 52.062 52.037 -0.314 0.000 0.955 161 A CB 0.122 18.632 19.000 -0.817 0.000 1.149 161 A HN 0.537 nan 8.150 nan 0.000 0.538 162 A N -0.468 122.223 122.820 -0.215 0.000 2.019 162 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 162 A C 1.506 179.097 177.584 0.011 0.000 1.164 162 A CA 1.631 53.607 52.037 -0.102 0.000 0.644 162 A CB -0.728 18.205 19.000 -0.112 0.000 0.805 162 A HN 0.773 nan 8.150 nan 0.000 0.449 163 H N -2.031 116.982 119.070 -0.095 0.000 2.549 163 H HA 0.448 5.004 4.556 -0.000 0.000 0.279 163 H C 1.165 176.515 175.328 0.036 0.000 1.018 163 H CA 0.145 56.121 56.048 -0.121 0.000 1.175 163 H CB 0.401 30.194 29.762 0.051 0.000 1.485 163 H HN 0.491 nan 8.280 nan 0.000 0.543 164 A N 0.897 123.835 122.820 0.196 0.000 2.574 164 A HA 0.132 4.452 4.320 -0.001 0.000 0.283 164 A C 0.499 178.319 177.584 0.394 0.000 1.270 164 A CA -0.330 51.843 52.037 0.227 0.000 0.945 164 A CB -0.176 18.899 19.000 0.125 0.000 1.127 164 A HN 0.053 nan 8.150 nan 0.000 0.522 165 T N 0.849 115.674 114.554 0.451 0.000 2.761 165 T HA 0.426 4.776 4.350 -0.001 0.000 0.287 165 T C 1.323 176.202 174.700 0.299 0.000 0.931 165 T CA 1.375 63.754 62.100 0.465 0.000 1.164 165 T CB 0.320 69.442 68.868 0.422 0.000 0.876 165 T HN 1.327 nan 8.240 nan 0.000 0.534 166 G N 3.341 112.306 108.800 0.275 0.000 2.184 166 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.206 166 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.206 166 G C 0.303 175.336 174.900 0.222 0.000 0.995 166 G CA -0.270 44.970 45.100 0.233 0.000 0.651 166 G HN 0.730 nan 8.290 nan 0.000 0.511 167 T N 1.482 116.170 114.554 0.223 0.000 2.889 167 T HA 0.628 4.978 4.350 -0.001 0.000 0.291 167 T C 0.135 174.902 174.700 0.112 0.000 0.995 167 T CA 0.512 62.695 62.100 0.138 0.000 1.092 167 T CB 1.676 70.583 68.868 0.065 0.000 0.954 167 T HN 0.276 nan 8.240 nan 0.000 0.506 168 S N 1.159 116.907 115.700 0.080 0.000 2.548 168 S HA 0.554 5.024 4.470 -0.001 0.000 0.286 168 S C -1.684 173.020 174.600 0.174 0.000 1.098 168 S CA -0.721 57.508 58.200 0.048 0.000 0.930 168 S CB 1.312 64.451 63.200 -0.103 0.000 1.070 168 S HN 0.676 nan 8.310 nan 0.000 0.480 169 Y N 2.569 122.888 120.300 0.031 0.000 2.331 169 Y HA 0.409 4.959 4.550 -0.000 0.000 0.334 169 Y C -0.040 175.905 175.900 0.075 0.000 0.960 169 Y CA -0.740 57.410 58.100 0.084 0.000 1.130 169 Y CB 0.626 39.084 38.460 -0.003 0.000 1.164 169 Y HN 0.790 nan 8.280 nan 0.000 0.458 170 K N 5.062 125.272 120.400 -0.317 0.000 3.490 170 K HA -0.230 4.089 4.320 -0.001 0.000 0.273 170 K C 0.827 177.373 176.600 -0.090 0.000 0.916 170 K CA 1.026 57.150 56.287 -0.272 0.000 0.718 170 K CB -1.636 30.573 32.500 -0.485 0.000 1.477 170 K HN 1.336 nan 8.250 nan 0.000 0.452 171 G N -0.644 108.128 108.800 -0.047 0.000 2.179 171 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.257 171 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.257 171 G C -0.196 174.700 174.900 -0.006 0.000 1.010 171 G CA 0.591 45.673 45.100 -0.029 0.000 0.736 171 G HN 0.722 nan 8.290 nan 0.000 0.513 172 R N -0.580 119.936 120.500 0.027 0.000 2.564 172 R HA 0.561 4.900 4.340 -0.001 0.000 0.284 172 R C -0.060 176.302 176.300 0.102 0.000 1.031 172 R CA -0.549 55.601 56.100 0.085 0.000 0.904 172 R CB 0.380 30.767 30.300 0.145 0.000 1.199 172 R HN 0.453 nan 8.270 nan 0.000 0.443 173 H N 2.937 122.075 119.070 0.112 0.000 2.897 173 H HA 0.175 4.731 4.556 -0.001 0.000 0.347 173 H C 0.788 176.207 175.328 0.151 0.000 1.068 173 H CA 0.397 56.518 56.048 0.121 0.000 1.426 173 H CB 0.648 30.468 29.762 0.096 0.000 1.410 173 H HN 0.377 nan 8.280 nan 0.000 0.597 174 I N 1.771 122.502 120.570 0.268 0.000 2.683 174 I HA -0.117 4.053 4.170 -0.001 0.000 0.286 174 I C 1.614 177.970 176.117 0.398 0.000 1.175 174 I CA 1.190 62.597 61.300 0.179 0.000 1.429 174 I CB 0.255 38.252 38.000 -0.004 0.000 1.371 174 I HN 1.015 nan 8.210 nan 0.000 0.569 175 G N 5.002 114.003 108.800 0.334 0.000 2.194 175 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.236 175 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.236 175 G C 1.142 176.207 174.900 0.275 0.000 0.987 175 G CA 0.650 45.987 45.100 0.396 0.000 0.635 175 G HN 0.822 nan 8.290 nan 0.000 0.520 176 A N -0.152 122.808 122.820 0.234 0.000 1.908 176 A HA 0.462 4.782 4.320 -0.001 0.000 0.218 176 A C 1.767 179.422 177.584 0.119 0.000 1.181 176 A CA 3.086 55.222 52.037 0.164 0.000 0.627 176 A CB -0.476 18.625 19.000 0.169 0.000 0.818 176 A HN 2.046 nan 8.150 nan 0.000 0.445 177 R N -2.475 118.096 120.500 0.118 0.000 2.888 177 R HA 0.619 4.958 4.340 -0.001 0.000 0.264 177 R C 1.014 177.328 176.300 0.023 0.000 1.045 177 R CA 0.387 56.511 56.100 0.039 0.000 0.962 177 R CB -0.539 29.744 30.300 -0.029 0.000 1.210 177 R HN 2.170 nan 8.270 nan 0.000 0.479 178 G N -0.270 108.490 108.800 -0.068 0.000 2.562 178 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.250 178 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.250 178 G C 0.003 174.926 174.900 0.038 0.000 1.269 178 G CA 0.230 45.283 45.100 -0.078 0.000 0.919 178 G HN 1.484 nan 8.290 nan 0.000 0.574 179 T N 0.803 115.389 114.554 0.053 0.000 2.812 179 T HA 0.787 5.137 4.350 -0.001 0.000 0.282 179 T C 0.100 174.856 174.700 0.094 0.000 0.990 179 T CA 0.674 62.830 62.100 0.092 0.000 0.960 179 T CB 1.518 70.413 68.868 0.044 0.000 0.948 179 T HN 1.931 nan 8.240 nan 0.000 0.438 180 A N 3.479 126.368 122.820 0.115 0.000 2.449 180 A HA 0.868 5.188 4.320 -0.001 0.000 0.302 180 A C -1.032 176.513 177.584 -0.064 0.000 1.048 180 A CA -0.750 51.279 52.037 -0.014 0.000 0.708 180 A CB 1.002 19.982 19.000 -0.035 0.000 1.274 180 A HN 0.840 nan 8.150 nan 0.000 0.410 181 I N 2.000 122.429 120.570 -0.236 0.000 2.389 181 I HA 0.462 4.632 4.170 -0.001 0.000 0.288 181 I C -1.134 174.781 176.117 -0.337 0.000 0.999 181 I CA -0.245 60.952 61.300 -0.172 0.000 1.129 181 I CB 1.352 39.278 38.000 -0.123 0.000 1.288 181 I HN 0.551 nan 8.210 nan 0.000 0.444 182 F N 3.235 123.078 119.950 -0.178 0.000 2.483 182 F HA 0.563 5.089 4.527 -0.000 0.000 0.329 182 F C 0.635 176.177 175.800 -0.430 0.000 1.064 182 F CA -0.666 57.207 58.000 -0.212 0.000 0.986 182 F CB 1.801 40.712 39.000 -0.147 0.000 1.218 182 F HN 0.295 nan 8.300 nan 0.000 0.484 183 S N 0.818 116.431 115.700 -0.145 0.000 2.513 183 S HA 0.563 5.033 4.470 -0.001 0.000 0.299 183 S C -0.555 173.982 174.600 -0.105 0.000 1.087 183 S CA -0.549 57.507 58.200 -0.240 0.000 1.012 183 S CB 0.378 63.545 63.200 -0.054 0.000 1.044 183 S HN 0.514 nan 8.310 nan 0.000 0.485 184 F N 2.226 122.230 119.950 0.090 0.000 2.708 184 F HA 0.264 4.791 4.527 0.000 0.000 0.300 184 F C 0.891 176.745 175.800 0.090 0.000 1.118 184 F CA -0.913 57.138 58.000 0.084 0.000 1.307 184 F CB -0.110 38.919 39.000 0.049 0.000 0.986 184 F HN 0.684 nan 8.300 nan 0.000 0.522 185 H N 0.756 119.907 119.070 0.135 0.000 2.929 185 H HA 0.199 4.754 4.556 -0.000 0.000 0.358 185 H C 1.519 176.908 175.328 0.102 0.000 1.111 185 H CA 0.341 56.448 56.048 0.098 0.000 1.409 185 H CB 1.232 31.026 29.762 0.054 0.000 1.373 185 H HN 0.240 nan 8.280 nan 0.000 0.610 186 A N 4.329 126.815 122.820 -0.556 0.000 1.971 186 A HA -0.268 4.052 4.320 -0.001 0.000 0.222 186 A C 1.970 179.554 177.584 -0.001 0.000 1.182 186 A CA 2.294 54.158 52.037 -0.288 0.000 0.649 186 A CB -1.058 17.690 19.000 -0.420 0.000 0.818 186 A HN 0.827 nan 8.150 nan 0.000 0.458 187 I N -3.903 116.830 120.570 0.272 0.000 3.884 187 I HA 0.302 4.472 4.170 -0.001 0.000 0.330 187 I C 0.023 176.342 176.117 0.336 0.000 1.451 187 I CA -0.584 60.858 61.300 0.237 0.000 1.165 187 I CB 0.172 38.272 38.000 0.168 0.000 1.097 187 I HN -0.197 nan 8.210 nan 0.000 0.404 188 K N 1.174 121.735 120.400 0.270 0.000 2.098 188 K HA 0.309 4.629 4.320 -0.001 0.000 0.244 188 K C 0.540 177.263 176.600 0.204 0.000 1.014 188 K CA -0.280 56.099 56.287 0.154 0.000 0.917 188 K CB 0.495 33.074 32.500 0.132 0.000 1.072 188 K HN 0.075 nan 8.250 nan 0.000 0.477 189 N N 0.335 119.146 118.700 0.185 0.000 2.061 189 N HA -0.160 4.579 4.740 -0.001 0.000 0.193 189 N C 0.618 176.252 175.510 0.207 0.000 1.030 189 N CA 1.466 54.655 53.050 0.231 0.000 0.856 189 N CB -0.399 38.232 38.487 0.241 0.000 1.023 189 N HN 0.567 nan 8.380 nan 0.000 0.424 190 I N -4.410 116.298 120.570 0.230 0.000 2.646 190 I HA 0.630 4.800 4.170 -0.001 0.000 0.299 190 I C -0.413 175.830 176.117 0.210 0.000 1.036 190 I CA -0.817 60.595 61.300 0.187 0.000 1.074 190 I CB 2.456 40.549 38.000 0.155 0.000 1.258 190 I HN -0.243 nan 8.210 nan 0.000 0.430 191 T N 3.248 117.869 114.554 0.111 0.000 2.900 191 T HA 0.505 4.855 4.350 -0.001 0.000 0.303 191 T C -0.455 174.260 174.700 0.026 0.000 1.142 191 T CA -0.438 61.731 62.100 0.115 0.000 1.007 191 T CB 1.476 70.392 68.868 0.080 0.000 1.156 191 T HN 1.001 nan 8.240 nan 0.000 0.490 192 C N 2.215 121.548 119.300 0.055 0.000 3.144 192 C HA 0.854 5.314 4.460 -0.001 0.000 0.253 192 C C 1.684 176.694 174.990 0.034 0.000 2.010 192 C CA 0.196 59.223 59.018 0.015 0.000 1.698 192 C CB -1.380 26.349 27.740 -0.020 0.000 3.346 192 C HN 1.621 nan 8.230 nan 0.000 0.449 193 A N 0.530 123.353 122.820 0.005 0.000 1.475 193 A HA -0.168 4.152 4.320 -0.001 0.000 0.222 193 A C 0.027 177.567 177.584 -0.074 0.000 0.487 193 A CA 1.852 53.854 52.037 -0.058 0.000 1.107 193 A CB -1.702 17.276 19.000 -0.035 0.000 1.460 193 A HN 0.688 nan 8.150 nan 0.000 0.719 194 E N -0.407 119.813 120.200 0.034 0.000 2.321 194 E HA 0.561 4.911 4.350 -0.001 0.000 0.278 194 E C -0.083 176.611 176.600 0.156 0.000 0.902 194 E CA 0.311 56.764 56.400 0.087 0.000 0.758 194 E CB 1.475 31.227 29.700 0.087 0.000 1.213 194 E HN 1.979 nan 8.360 nan 0.000 0.426 195 G N 0.152 109.055 108.800 0.171 0.000 2.321 195 G HA2 0.556 4.516 3.960 -0.001 0.000 0.298 195 G HA3 0.556 4.516 3.960 -0.001 0.000 0.298 195 G C -0.918 173.920 174.900 -0.104 0.000 1.385 195 G CA -0.009 45.212 45.100 0.202 0.000 0.856 195 G HN 0.705 nan 8.290 nan 0.000 0.584 196 G N -1.450 107.145 108.800 -0.342 0.000 2.548 196 G HA2 0.760 4.720 3.960 -0.001 0.000 0.301 196 G HA3 0.760 4.720 3.960 -0.001 0.000 0.301 196 G C -1.932 172.599 174.900 -0.615 0.000 1.349 196 G CA 0.045 44.663 45.100 -0.804 0.000 0.792 196 G HN 1.601 nan 8.290 nan 0.000 0.481 197 I N -0.448 119.807 120.570 -0.525 0.000 2.787 197 I HA 0.527 4.697 4.170 -0.001 0.000 0.294 197 I C -1.337 174.716 176.117 -0.106 0.000 1.365 197 I CA -0.888 60.248 61.300 -0.274 0.000 1.029 197 I CB 2.234 40.003 38.000 -0.385 0.000 1.313 197 I HN 0.393 nan 8.210 nan 0.000 0.431 198 V N 7.407 127.309 119.914 -0.019 0.000 2.347 198 V HA 0.407 4.526 4.120 -0.001 0.000 0.280 198 V C -0.244 175.939 176.094 0.148 0.000 1.021 198 V CA -0.567 61.775 62.300 0.069 0.000 0.847 198 V CB 1.382 33.234 31.823 0.050 0.000 0.990 198 V HN 0.416 nan 8.190 nan 0.000 0.444 199 V N 4.581 124.641 119.914 0.243 0.000 2.394 199 V HA 0.651 4.770 4.120 -0.001 0.000 0.282 199 V C 0.253 176.508 176.094 0.268 0.000 1.031 199 V CA 0.046 62.514 62.300 0.280 0.000 0.881 199 V CB 1.669 33.730 31.823 0.396 0.000 0.982 199 V HN 0.963 nan 8.190 nan 0.000 0.451 200 T N 1.717 116.438 114.554 0.278 0.000 2.864 200 T HA 0.401 4.751 4.350 -0.001 0.000 0.299 200 T C -0.196 174.688 174.700 0.307 0.000 1.166 200 T CA -0.325 61.945 62.100 0.283 0.000 1.007 200 T CB 1.855 70.953 68.868 0.383 0.000 1.219 200 T HN 0.828 nan 8.240 nan 0.000 0.506 201 D N 0.908 121.451 120.400 0.238 0.000 2.398 201 D HA 0.153 4.793 4.640 -0.001 0.000 0.210 201 D C 0.255 176.743 176.300 0.313 0.000 1.094 201 D CA -0.148 53.994 54.000 0.236 0.000 0.839 201 D CB 0.052 40.909 40.800 0.095 0.000 0.963 201 D HN 0.272 nan 8.370 nan 0.000 0.506 202 N N 1.309 120.172 118.700 0.271 0.000 2.444 202 N HA 0.172 4.912 4.740 -0.001 0.000 0.262 202 N C -1.783 173.721 175.510 -0.010 0.000 0.974 202 N CA -1.961 51.182 53.050 0.154 0.000 0.933 202 N CB 2.458 41.007 38.487 0.103 0.000 1.137 202 N HN -0.200 nan 8.380 nan 0.000 0.498 203 P HA -0.120 nan 4.420 nan 0.000 0.216 203 P C 1.038 178.175 177.300 -0.271 0.000 1.153 203 P CA 1.090 63.832 63.100 -0.597 0.000 0.844 203 P CB 0.487 31.951 31.700 -0.394 0.000 0.787 204 Q N -1.209 118.537 119.800 -0.090 0.000 2.119 204 Q HA -0.116 4.223 4.340 -0.001 0.000 0.201 204 Q C 2.113 178.129 176.000 0.027 0.000 0.972 204 Q CA 1.171 56.958 55.803 -0.027 0.000 0.847 204 Q CB -1.545 27.202 28.738 0.016 0.000 0.903 204 Q HN 0.342 nan 8.270 nan 0.000 0.433 205 F N 1.206 121.108 119.950 -0.080 0.000 2.102 205 F HA -0.070 4.456 4.527 -0.001 0.000 0.298 205 F C 2.314 178.081 175.800 -0.055 0.000 1.105 205 F CA 1.222 59.194 58.000 -0.045 0.000 1.239 205 F CB -0.787 38.202 39.000 -0.019 0.000 0.991 205 F HN 0.210 nan 8.300 nan 0.000 0.474 206 A N 0.112 122.899 122.820 -0.055 0.000 1.883 206 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 206 A C 2.027 179.512 177.584 -0.165 0.000 1.186 206 A CA 2.151 54.105 52.037 -0.137 0.000 0.624 206 A CB -1.143 17.753 19.000 -0.174 0.000 0.822 206 A HN 0.436 nan 8.150 nan 0.000 0.444 207 D N -0.334 119.972 120.400 -0.156 0.000 2.123 207 D HA -0.134 4.506 4.640 -0.001 0.000 0.196 207 D C 1.952 178.189 176.300 -0.105 0.000 0.992 207 D CA 1.478 55.411 54.000 -0.111 0.000 0.833 207 D CB -0.272 40.475 40.800 -0.089 0.000 0.954 207 D HN 0.520 nan 8.370 nan 0.000 0.455 208 K N 0.113 120.431 120.400 -0.136 0.000 2.057 208 K HA -0.056 4.264 4.320 -0.001 0.000 0.207 208 K C 2.331 178.822 176.600 -0.181 0.000 1.049 208 K CA 0.578 56.780 56.287 -0.141 0.000 0.931 208 K CB -0.147 32.261 32.500 -0.153 0.000 0.714 208 K HN 0.148 nan 8.250 nan 0.000 0.440 209 L N 0.593 121.643 121.223 -0.287 0.000 2.012 209 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 209 L C 2.525 179.335 176.870 -0.099 0.000 1.073 209 L CA 1.357 56.055 54.840 -0.238 0.000 0.748 209 L CB -0.490 41.390 42.059 -0.298 0.000 0.891 209 L HN 0.161 nan 8.230 nan 0.000 0.431 210 R N -0.589 119.867 120.500 -0.074 0.000 2.091 210 R HA -0.176 4.164 4.340 -0.001 0.000 0.238 210 R C 2.626 178.941 176.300 0.026 0.000 1.136 210 R CA 1.740 57.829 56.100 -0.017 0.000 0.959 210 R CB -0.544 29.744 30.300 -0.020 0.000 0.856 210 R HN 0.263 nan 8.270 nan 0.000 0.437 211 S N 0.740 116.444 115.700 0.007 0.000 2.368 211 S HA -0.009 4.461 4.470 -0.001 0.000 0.224 211 S C 1.938 176.553 174.600 0.025 0.000 1.029 211 S CA 0.758 58.979 58.200 0.034 0.000 0.988 211 S CB -0.041 63.160 63.200 0.002 0.000 0.838 211 S HN 0.204 nan 8.310 nan 0.000 0.462 212 L N 0.984 122.203 121.223 -0.007 0.000 2.275 212 L HA -0.041 4.299 4.340 -0.001 0.000 0.215 212 L C 2.103 178.999 176.870 0.042 0.000 1.119 212 L CA 1.212 56.050 54.840 -0.003 0.000 0.790 212 L CB -0.375 41.676 42.059 -0.013 0.000 0.919 212 L HN 0.385 nan 8.230 nan 0.000 0.443 213 K N -1.095 119.354 120.400 0.081 0.000 2.444 213 K HA -0.039 4.280 4.320 -0.001 0.000 0.193 213 K C 0.345 177.028 176.600 0.139 0.000 1.024 213 K CA 0.609 56.990 56.287 0.157 0.000 1.077 213 K CB -0.030 32.568 32.500 0.163 0.000 0.833 213 K HN 0.044 nan 8.250 nan 0.000 0.517 214 F N 1.765 121.645 119.950 -0.118 0.000 2.593 214 F HA 0.275 4.802 4.527 -0.000 0.000 0.336 214 F C -0.759 174.944 175.800 -0.163 0.000 1.491 214 F CA -1.006 56.873 58.000 -0.201 0.000 1.114 214 F CB -0.201 38.759 39.000 -0.065 0.000 1.468 214 F HN 0.348 nan 8.300 nan 0.000 0.579 215 H N 0.351 119.237 119.070 -0.307 0.000 3.395 215 H HA -0.193 4.363 4.556 -0.001 0.000 0.222 215 H C 1.603 176.812 175.328 -0.200 0.000 1.099 215 H CA 1.174 57.026 56.048 -0.327 0.000 1.182 215 H CB -1.281 28.197 29.762 -0.473 0.000 1.188 215 H HN 0.839 nan 8.280 nan 0.000 0.317 216 G N -0.270 108.502 108.800 -0.047 0.000 2.143 216 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.248 216 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.248 216 G C 0.244 175.147 174.900 0.005 0.000 0.991 216 G CA 0.312 45.393 45.100 -0.031 0.000 0.689 216 G HN 0.468 nan 8.290 nan 0.000 0.522 217 L N -0.037 121.217 121.223 0.052 0.000 2.417 217 L HA 0.625 4.965 4.340 -0.001 0.000 0.268 217 L C 1.055 177.972 176.870 0.077 0.000 1.158 217 L CA 0.528 55.415 54.840 0.078 0.000 0.819 217 L CB 1.235 43.387 42.059 0.154 0.000 1.112 217 L HN 0.451 nan 8.230 nan 0.000 0.458 218 G N 1.058 109.889 108.800 0.053 0.000 2.519 218 G HA2 0.419 4.379 3.960 -0.001 0.000 0.292 218 G HA3 0.419 4.379 3.960 -0.001 0.000 0.292 218 G C -1.721 173.194 174.900 0.024 0.000 1.507 218 G CA -0.656 44.466 45.100 0.036 0.000 0.806 218 G HN 0.274 nan 8.290 nan 0.000 0.523 219 V N 1.551 121.476 119.914 0.018 0.000 2.461 219 V HA 0.347 4.467 4.120 -0.001 0.000 0.275 219 V C 0.465 176.562 176.094 0.006 0.000 1.047 219 V CA -0.231 62.076 62.300 0.012 0.000 0.955 219 V CB 1.212 33.041 31.823 0.009 0.000 0.988 219 V HN 0.823 nan 8.190 nan 0.000 0.471 233 A N 1.869 124.707 122.820 0.029 0.000 2.531 233 A HA 0.571 4.890 4.320 -0.001 0.000 0.236 233 A C 0.466 178.068 177.584 0.030 0.000 1.062 233 A CA 1.005 53.066 52.037 0.040 0.000 0.760 233 A CB 0.094 19.138 19.000 0.072 0.000 0.995 233 A HN 1.615 nan 8.150 nan 0.000 0.501 234 E N 0.308 120.521 120.200 0.022 0.000 2.423 234 E HA 0.472 4.822 4.350 -0.001 0.000 0.280 234 E C -1.565 175.033 176.600 -0.002 0.000 1.030 234 E CA -1.079 55.324 56.400 0.004 0.000 0.812 234 E CB 1.053 30.751 29.700 -0.003 0.000 1.313 234 E HN 0.301 nan 8.360 nan 0.000 0.456 235 V N 2.758 122.659 119.914 -0.021 0.000 2.493 235 V HA -0.052 4.067 4.120 -0.001 0.000 0.292 235 V C 0.710 176.790 176.094 -0.022 0.000 1.016 235 V CA 0.180 62.464 62.300 -0.028 0.000 1.097 235 V CB 0.314 32.107 31.823 -0.050 0.000 0.947 235 V HN 0.634 nan 8.190 nan 0.000 0.479 236 L N 4.854 126.066 121.223 -0.017 0.000 2.200 236 L HA 0.476 4.815 4.340 -0.001 0.000 0.200 236 L C 0.988 177.844 176.870 -0.022 0.000 1.072 236 L CA 1.399 56.230 54.840 -0.015 0.000 0.787 236 L CB -0.374 41.680 42.059 -0.009 0.000 0.957 236 L HN 0.799 nan 8.230 nan 0.000 0.459 237 A N -1.435 121.367 122.820 -0.031 0.000 2.488 237 A HA 0.664 4.984 4.320 -0.001 0.000 0.295 237 A C -2.612 174.933 177.584 -0.065 0.000 1.045 237 A CA -1.060 50.953 52.037 -0.040 0.000 0.703 237 A CB 0.561 19.544 19.000 -0.029 0.000 1.271 237 A HN -0.107 nan 8.150 nan 0.000 0.400 238 P HA 0.300 nan 4.420 nan 0.000 0.261 238 P C 0.504 177.682 177.300 -0.202 0.000 1.173 238 P CA 0.934 63.948 63.100 -0.145 0.000 0.760 238 P CB 0.824 32.430 31.700 -0.157 0.000 0.783 239 G N 1.464 110.116 108.800 -0.247 0.000 2.798 239 G HA2 0.593 4.552 3.960 -0.001 0.000 0.286 239 G HA3 0.593 4.552 3.960 -0.001 0.000 0.286 239 G C -1.648 172.971 174.900 -0.469 0.000 1.389 239 G CA -0.503 44.422 45.100 -0.291 0.000 0.894 239 G HN 0.304 nan 8.290 nan 0.000 0.488 240 Y N -0.624 119.517 120.300 -0.265 0.000 2.565 240 Y HA 0.591 5.140 4.550 -0.001 0.000 0.325 240 Y C 0.693 176.264 175.900 -0.547 0.000 1.221 240 Y CA -0.547 57.298 58.100 -0.426 0.000 1.316 240 Y CB 1.573 39.619 38.460 -0.691 0.000 1.404 240 Y HN 0.341 nan 8.280 nan 0.000 0.527 241 K N 1.022 121.176 120.400 -0.411 0.000 2.404 241 K HA 0.276 4.596 4.320 -0.001 0.000 0.257 241 K C -1.845 174.641 176.600 -0.190 0.000 1.026 241 K CA -0.233 55.817 56.287 -0.395 0.000 0.951 241 K CB 0.050 32.378 32.500 -0.286 0.000 1.203 241 K HN 0.649 nan 8.250 nan 0.000 0.446 242 Y N 2.545 122.855 120.300 0.016 0.000 2.721 242 Y HA 0.107 4.657 4.550 -0.001 0.000 0.251 242 Y C -0.132 175.806 175.900 0.065 0.000 1.136 242 Y CA -1.439 56.687 58.100 0.043 0.000 1.142 242 Y CB 0.101 38.571 38.460 0.016 0.000 1.212 242 Y HN 0.533 nan 8.280 nan 0.000 0.565 243 N N 0.687 119.530 118.700 0.239 0.000 2.525 243 N HA 0.180 4.919 4.740 -0.001 0.000 0.271 243 N C -0.620 174.972 175.510 0.137 0.000 1.194 243 N CA -0.360 52.792 53.050 0.170 0.000 0.964 243 N CB 2.214 40.795 38.487 0.157 0.000 1.126 243 N HN 0.229 nan 8.380 nan 0.000 0.452 244 L N 1.977 123.261 121.223 0.101 0.000 2.276 244 L HA 0.468 4.807 4.340 -0.001 0.000 0.286 244 L C -2.457 174.460 176.870 0.078 0.000 1.061 244 L CA -1.831 53.069 54.840 0.101 0.000 0.807 244 L CB 0.742 42.868 42.059 0.112 0.000 1.177 244 L HN 0.502 nan 8.230 nan 0.000 0.429 245 P HA 0.102 nan 4.420 nan 0.000 0.269 245 P C -0.337 176.996 177.300 0.056 0.000 1.215 245 P CA -0.055 63.086 63.100 0.068 0.000 0.780 245 P CB 0.637 32.379 31.700 0.071 0.000 0.898 246 D N 0.675 121.107 120.400 0.053 0.000 2.218 246 D HA -0.119 4.521 4.640 -0.001 0.000 0.204 246 D C 1.678 178.001 176.300 0.039 0.000 0.976 246 D CA 0.931 54.959 54.000 0.046 0.000 0.853 246 D CB -0.377 40.461 40.800 0.062 0.000 0.939 246 D HN 0.159 nan 8.370 nan 0.000 0.481 247 L N 0.930 122.179 121.223 0.043 0.000 1.990 247 L HA -0.208 4.132 4.340 -0.001 0.000 0.213 247 L C 1.470 178.353 176.870 0.021 0.000 1.072 247 L CA 1.869 56.728 54.840 0.032 0.000 0.755 247 L CB -0.808 41.272 42.059 0.035 0.000 0.889 247 L HN 0.003 nan 8.230 nan 0.000 0.432 248 N N -0.732 117.985 118.700 0.029 0.000 2.270 248 N HA -0.041 4.699 4.740 -0.001 0.000 0.181 248 N C 1.758 177.265 175.510 -0.005 0.000 1.016 248 N CA 1.139 54.202 53.050 0.021 0.000 0.870 248 N CB -0.396 38.121 38.487 0.050 0.000 0.979 248 N HN 0.434 nan 8.380 nan 0.000 0.431 249 A N 0.731 123.554 122.820 0.005 0.000 1.972 249 A HA 0.061 4.381 4.320 -0.001 0.000 0.219 249 A C 2.240 179.794 177.584 -0.051 0.000 1.169 249 A CA 1.617 53.639 52.037 -0.026 0.000 0.635 249 A CB -0.820 18.185 19.000 0.008 0.000 0.810 249 A HN 0.320 nan 8.150 nan 0.000 0.446 250 A N -0.095 122.711 122.820 -0.024 0.000 1.968 250 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 250 A C 2.046 179.606 177.584 -0.040 0.000 1.169 250 A CA 1.307 53.330 52.037 -0.023 0.000 0.638 250 A CB -0.514 18.485 19.000 -0.001 0.000 0.812 250 A HN 0.502 nan 8.150 nan 0.000 0.446 251 I N -0.281 120.263 120.570 -0.044 0.000 2.252 251 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 251 I C 2.940 179.000 176.117 -0.096 0.000 1.102 251 I CA 0.973 62.243 61.300 -0.051 0.000 1.385 251 I CB -0.360 37.619 38.000 -0.036 0.000 1.064 251 I HN 0.335 nan 8.210 nan 0.000 0.414 252 A N 0.841 123.558 122.820 -0.172 0.000 1.902 252 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 252 A C 2.216 179.672 177.584 -0.214 0.000 1.181 252 A CA 1.360 53.200 52.037 -0.329 0.000 0.623 252 A CB -0.709 17.851 19.000 -0.734 0.000 0.818 252 A HN 0.291 nan 8.150 nan 0.000 0.443 253 L N -0.327 120.812 121.223 -0.141 0.000 2.042 253 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 253 L C 2.896 179.730 176.870 -0.059 0.000 1.076 253 L CA 2.040 56.834 54.840 -0.078 0.000 0.749 253 L CB -1.230 40.799 42.059 -0.050 0.000 0.893 253 L HN 0.417 nan 8.230 nan 0.000 0.432 254 A N -1.796 120.993 122.820 -0.051 0.000 1.930 254 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 254 A C 2.138 179.705 177.584 -0.029 0.000 1.175 254 A CA 1.126 53.144 52.037 -0.032 0.000 0.627 254 A CB -0.329 18.657 19.000 -0.023 0.000 0.815 254 A HN 0.508 nan 8.150 nan 0.000 0.443 255 Q N -1.020 118.757 119.800 -0.039 0.000 2.119 255 Q HA -0.128 4.212 4.340 -0.001 0.000 0.201 255 Q C 2.081 178.072 176.000 -0.015 0.000 0.972 255 Q CA 1.267 57.060 55.803 -0.018 0.000 0.847 255 Q CB -0.421 28.305 28.738 -0.021 0.000 0.903 255 Q HN 0.583 nan 8.270 nan 0.000 0.433 256 L N 1.330 122.528 121.223 -0.043 0.000 2.083 256 L HA -0.201 4.138 4.340 -0.001 0.000 0.209 256 L C 2.335 179.172 176.870 -0.054 0.000 1.083 256 L CA 1.859 56.666 54.840 -0.055 0.000 0.752 256 L CB -0.654 41.355 42.059 -0.083 0.000 0.899 256 L HN 0.219 nan 8.230 nan 0.000 0.433 257 Q N -0.500 119.275 119.800 -0.042 0.000 2.226 257 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 257 Q C 1.330 177.321 176.000 -0.016 0.000 0.975 257 Q CA 1.455 57.238 55.803 -0.032 0.000 0.866 257 Q CB 0.078 28.800 28.738 -0.026 0.000 0.915 257 Q HN 0.528 nan 8.270 nan 0.000 0.440 258 K N -0.015 120.382 120.400 -0.004 0.000 2.410 258 K HA 0.036 4.355 4.320 -0.001 0.000 0.200 258 K C 1.415 178.031 176.600 0.026 0.000 1.023 258 K CA -0.236 56.058 56.287 0.012 0.000 1.149 258 K CB 0.349 32.861 32.500 0.021 0.000 0.859 258 K HN 0.114 nan 8.250 nan 0.000 0.514 259 L N 1.858 123.093 121.223 0.020 0.000 2.013 259 L HA -0.251 4.089 4.340 -0.001 0.000 0.212 259 L C 1.380 178.287 176.870 0.062 0.000 1.073 259 L CA 2.078 56.944 54.840 0.044 0.000 0.753 259 L CB -0.233 41.839 42.059 0.021 0.000 0.890 259 L HN 0.149 nan 8.230 nan 0.000 0.432 260 D N -0.079 120.350 120.400 0.048 0.000 2.097 260 D HA -0.179 4.461 4.640 -0.001 0.000 0.195 260 D C 2.212 178.547 176.300 0.059 0.000 0.989 260 D CA 1.615 55.651 54.000 0.060 0.000 0.827 260 D CB -0.404 40.424 40.800 0.047 0.000 0.966 260 D HN 0.534 nan 8.370 nan 0.000 0.456 261 A N 0.910 123.756 122.820 0.044 0.000 1.883 261 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 261 A C 2.448 180.064 177.584 0.053 0.000 1.186 261 A CA 1.150 53.210 52.037 0.039 0.000 0.624 261 A CB -0.897 18.119 19.000 0.027 0.000 0.822 261 A HN 0.208 nan 8.150 nan 0.000 0.444 262 L N -0.579 120.684 121.223 0.068 0.000 2.046 262 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 262 L C 2.373 179.313 176.870 0.116 0.000 1.077 262 L CA 1.453 56.347 54.840 0.090 0.000 0.747 262 L CB -0.713 41.409 42.059 0.105 0.000 0.896 262 L HN 0.326 nan 8.230 nan 0.000 0.432 263 N N 0.275 119.054 118.700 0.132 0.000 2.120 263 N HA -0.139 4.601 4.740 -0.001 0.000 0.188 263 N C 1.876 177.478 175.510 0.153 0.000 1.024 263 N CA 1.490 54.646 53.050 0.177 0.000 0.852 263 N CB -0.356 38.246 38.487 0.192 0.000 1.003 263 N HN 0.310 nan 8.380 nan 0.000 0.424 264 A N 0.683 123.564 122.820 0.102 0.000 1.940 264 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 264 A C 2.460 180.059 177.584 0.024 0.000 1.176 264 A CA 1.379 53.454 52.037 0.064 0.000 0.631 264 A CB -0.515 18.508 19.000 0.039 0.000 0.814 264 A HN 0.185 nan 8.150 nan 0.000 0.446 265 R N -0.820 119.693 120.500 0.022 0.000 2.092 265 R HA -0.020 4.320 4.340 -0.001 0.000 0.231 265 R C 2.445 178.726 176.300 -0.031 0.000 1.119 265 R CA 1.561 57.648 56.100 -0.021 0.000 0.970 265 R CB -0.881 29.411 30.300 -0.013 0.000 0.864 265 R HN 0.780 nan 8.270 nan 0.000 0.440 266 R N 0.026 120.556 120.500 0.050 0.000 2.066 266 R HA 0.044 4.383 4.340 -0.001 0.000 0.232 266 R C 2.705 178.984 176.300 -0.034 0.000 1.131 266 R CA 1.510 57.660 56.100 0.083 0.000 0.955 266 R CB -0.609 29.840 30.300 0.248 0.000 0.851 266 R HN 0.403 nan 8.270 nan 0.000 0.432 267 A N 1.455 124.278 122.820 0.004 0.000 1.883 267 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 267 A C 2.405 179.806 177.584 -0.306 0.000 1.186 267 A CA 1.879 53.809 52.037 -0.178 0.000 0.624 267 A CB -0.847 18.205 19.000 0.087 0.000 0.822 267 A HN 0.423 nan 8.150 nan 0.000 0.444 268 A N 0.213 122.912 122.820 -0.201 0.000 1.873 268 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 268 A C 2.104 179.466 177.584 -0.371 0.000 1.193 268 A CA 1.783 53.673 52.037 -0.245 0.000 0.629 268 A CB -0.787 18.094 19.000 -0.199 0.000 0.826 268 A HN 0.556 nan 8.150 nan 0.000 0.447 269 I N -0.243 120.103 120.570 -0.374 0.000 2.361 269 I HA -0.261 3.908 4.170 -0.001 0.000 0.251 269 I C 2.861 178.691 176.117 -0.478 0.000 1.133 269 I CA 0.931 61.943 61.300 -0.480 0.000 1.413 269 I CB -0.437 37.374 38.000 -0.316 0.000 1.073 269 I HN 0.362 nan 8.210 nan 0.000 0.424 270 A N 1.052 123.555 122.820 -0.528 0.000 1.902 270 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 270 A C 2.608 179.854 177.584 -0.564 0.000 1.181 270 A CA 1.759 53.337 52.037 -0.764 0.000 0.623 270 A CB -0.742 17.162 19.000 -1.827 0.000 0.818 270 A HN 0.417 nan 8.150 nan 0.000 0.443 271 A N -0.423 122.120 122.820 -0.462 0.000 1.877 271 A HA -0.240 4.080 4.320 -0.001 0.000 0.216 271 A C 2.133 179.552 177.584 -0.276 0.000 1.186 271 A CA 1.758 53.624 52.037 -0.285 0.000 0.620 271 A CB -0.699 18.158 19.000 -0.238 0.000 0.822 271 A HN 0.655 nan 8.150 nan 0.000 0.443 272 Q N -1.524 118.012 119.800 -0.439 0.000 2.061 272 Q HA -0.226 4.113 4.340 -0.001 0.000 0.204 272 Q C 2.019 177.907 176.000 -0.187 0.000 0.984 272 Q CA 1.992 57.494 55.803 -0.502 0.000 0.846 272 Q CB -0.447 27.551 28.738 -1.233 0.000 0.902 272 Q HN 0.830 nan 8.270 nan 0.000 0.421 273 Y N -0.449 119.715 120.300 -0.226 0.000 2.081 273 Y HA -0.383 4.166 4.550 -0.000 0.000 0.280 273 Y C 3.076 178.849 175.900 -0.211 0.000 1.163 273 Y CA 1.628 59.554 58.100 -0.291 0.000 1.135 273 Y CB -0.854 36.897 38.460 -1.181 0.000 0.970 273 Y HN 0.532 nan 8.280 nan 0.000 0.498 274 H N -1.181 117.873 119.070 -0.026 0.000 2.289 274 H HA -0.204 4.352 4.556 -0.001 0.000 0.296 274 H C 2.150 177.535 175.328 0.095 0.000 1.091 274 H CA 2.967 59.087 56.048 0.119 0.000 1.274 274 H CB -1.304 28.513 29.762 0.091 0.000 1.364 274 H HN 0.459 nan 8.280 nan 0.000 0.490 275 Q N 0.416 120.237 119.800 0.035 0.000 2.030 275 Q HA 0.131 4.471 4.340 -0.001 0.000 0.204 275 Q C 3.018 179.068 176.000 0.083 0.000 0.986 275 Q CA 2.731 58.558 55.803 0.040 0.000 0.843 275 Q CB -1.290 27.444 28.738 -0.007 0.000 0.904 275 Q HN 1.329 nan 8.270 nan 0.000 0.420 276 A N -0.033 122.856 122.820 0.116 0.000 2.024 276 A HA -0.091 4.229 4.320 -0.001 0.000 0.220 276 A C 2.256 179.925 177.584 0.142 0.000 1.164 276 A CA 1.959 54.086 52.037 0.150 0.000 0.643 276 A CB -0.314 18.797 19.000 0.185 0.000 0.806 276 A HN 0.584 nan 8.150 nan 0.000 0.451 277 M N -0.765 118.929 119.600 0.157 0.000 2.394 277 M HA -0.017 4.463 4.480 -0.001 0.000 0.264 277 M C 2.407 178.780 176.300 0.122 0.000 1.073 277 M CA 1.146 56.547 55.300 0.170 0.000 1.111 277 M CB -1.287 31.458 32.600 0.241 0.000 1.401 277 M HN 0.503 nan 8.290 nan 0.000 0.448 278 A N 0.763 123.647 122.820 0.107 0.000 1.940 278 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 278 A C 1.866 179.494 177.584 0.072 0.000 1.176 278 A CA 2.273 54.358 52.037 0.081 0.000 0.631 278 A CB -1.470 17.572 19.000 0.070 0.000 0.814 278 A HN 0.591 nan 8.150 nan 0.000 0.446 279 D N -1.127 119.333 120.400 0.099 0.000 2.328 279 D HA 0.546 5.186 4.640 -0.001 0.000 0.226 279 D C 0.410 176.782 176.300 0.120 0.000 1.066 279 D CA 0.271 54.350 54.000 0.131 0.000 0.861 279 D CB -0.201 nan 40.800 nan 0.000 0.912 279 D HN 0.419 nan 8.370 nan 0.000 0.521 280 L N -0.880 120.357 121.223 0.024 0.000 2.333 280 L HA 0.454 4.793 4.340 -0.001 0.000 0.263 280 L C -1.661 175.087 176.870 -0.203 0.000 1.014 280 L CA -1.883 52.889 54.840 -0.114 0.000 0.820 280 L CB 2.912 44.929 42.059 -0.070 0.000 1.352 280 L HN -0.184 nan 8.230 nan 0.000 0.421 281 P HA 0.072 nan 4.420 nan 0.000 0.253 281 P C -0.281 176.727 177.300 -0.486 0.000 1.260 281 P CA 0.307 63.125 63.100 -0.471 0.000 0.800 281 P CB -0.061 31.328 31.700 -0.519 0.000 1.162 282 F N 0.631 120.588 119.950 0.012 0.000 2.384 282 F HA 0.527 5.053 4.527 -0.001 0.000 0.338 282 F C 1.371 177.199 175.800 0.048 0.000 1.103 282 F CA -0.809 57.202 58.000 0.018 0.000 1.157 282 F CB 0.474 39.475 39.000 0.003 0.000 1.167 282 F HN -0.213 nan 8.300 nan 0.000 0.529 283 Q N 4.021 123.947 119.800 0.210 0.000 2.372 283 Q HA 0.486 4.826 4.340 -0.001 0.000 0.259 283 Q C -2.946 173.123 176.000 0.115 0.000 0.993 283 Q CA -2.336 53.559 55.803 0.152 0.000 0.854 283 Q CB 0.487 29.310 28.738 0.141 0.000 1.231 283 Q HN 0.340 nan 8.270 nan 0.000 0.462 284 P HA 0.229 nan 4.420 nan 0.000 0.271 284 P C -0.095 177.190 177.300 -0.026 0.000 1.244 284 P CA -0.439 62.646 63.100 -0.025 0.000 0.793 284 P CB 0.604 32.336 31.700 0.053 0.000 0.984 285 L N -0.170 120.993 121.223 -0.099 0.000 2.472 285 L HA 0.183 4.522 4.340 -0.001 0.000 0.260 285 L C 0.832 177.701 176.870 -0.002 0.000 1.209 285 L CA -0.046 54.770 54.840 -0.039 0.000 0.817 285 L CB 0.061 42.088 42.059 -0.053 0.000 1.106 285 L HN 0.345 nan 8.230 nan 0.000 0.479 286 S N 0.877 116.572 115.700 -0.008 0.000 2.616 286 S HA 0.490 4.960 4.470 -0.001 0.000 0.277 286 S C -0.189 174.391 174.600 -0.034 0.000 1.234 286 S CA -0.707 57.489 58.200 -0.007 0.000 1.028 286 S CB 1.109 64.290 63.200 -0.033 0.000 0.988 286 S HN 0.269 nan 8.310 nan 0.000 0.522 287 L N 3.867 125.083 121.223 -0.011 0.000 2.397 287 L HA 0.328 4.668 4.340 -0.001 0.000 0.271 287 L C -1.681 175.049 176.870 -0.234 0.000 1.148 287 L CA -1.799 53.014 54.840 -0.046 0.000 0.825 287 L CB 0.085 42.215 42.059 0.119 0.000 1.117 287 L HN 0.411 nan 8.230 nan 0.000 0.456 288 P HA -0.010 nan 4.420 nan 0.000 0.271 288 P C 0.282 177.089 177.300 -0.822 0.000 1.233 288 P CA -0.295 62.268 63.100 -0.896 0.000 0.789 288 P CB 0.721 31.645 31.700 -1.294 0.000 0.951 289 S N -0.575 114.552 115.700 -0.954 0.000 2.478 289 S HA 0.005 4.475 4.470 -0.001 0.000 0.222 289 S C 0.639 175.099 174.600 -0.234 0.000 1.008 289 S CA -0.490 57.465 58.200 -0.408 0.000 0.928 289 S CB -0.932 62.154 63.200 -0.190 0.000 0.781 289 S HN 0.573 nan 8.310 nan 0.000 0.518 290 W N 2.012 123.352 121.300 0.067 0.000 2.049 290 W HA 0.575 5.235 4.660 -0.000 0.000 0.356 290 W C 0.363 176.931 176.519 0.081 0.000 1.323 290 W CA -1.147 56.213 57.345 0.025 0.000 1.336 290 W CB 0.005 29.447 29.460 -0.029 0.000 1.176 290 W HN 0.114 nan 8.180 nan 0.000 0.623 291 E N 2.362 122.680 120.200 0.196 0.000 2.360 291 E HA 0.076 4.426 4.350 -0.001 0.000 0.269 291 E C -0.031 176.676 176.600 0.178 0.000 1.022 291 E CA -0.092 56.362 56.400 0.090 0.000 0.887 291 E CB 0.254 29.947 29.700 -0.012 0.000 0.990 291 E HN 0.666 nan 8.360 nan 0.000 0.426 292 H N 1.913 121.005 119.070 0.037 0.000 2.887 292 H HA 0.394 4.950 4.556 -0.000 0.000 0.290 292 H C -1.345 174.014 175.328 0.052 0.000 1.429 292 H CA -0.953 55.136 56.048 0.068 0.000 1.137 292 H CB 0.464 30.306 29.762 0.134 0.000 1.824 292 H HN 0.406 nan 8.280 nan 0.000 0.520 293 I N 1.999 122.642 120.570 0.121 0.000 2.447 293 I HA 0.133 4.303 4.170 -0.001 0.000 0.287 293 I C -0.365 175.899 176.117 0.245 0.000 1.023 293 I CA -0.623 60.732 61.300 0.091 0.000 1.083 293 I CB 1.579 39.611 38.000 0.053 0.000 1.245 293 I HN 0.450 nan 8.210 nan 0.000 0.434 294 H N 5.798 124.971 119.070 0.173 0.000 2.668 294 H HA 0.314 4.870 4.556 -0.000 0.000 0.303 294 H C 0.582 175.906 175.328 -0.006 0.000 1.074 294 H CA -0.049 55.989 56.048 -0.016 0.000 1.406 294 H CB 1.889 31.428 29.762 -0.372 0.000 1.442 294 H HN 0.791 nan 8.280 nan 0.000 0.482 295 A N 4.263 127.218 122.820 0.224 0.000 2.119 295 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 295 A C 0.644 178.521 177.584 0.489 0.000 1.153 295 A CA -0.053 52.178 52.037 0.323 0.000 0.692 295 A CB -0.684 18.473 19.000 0.262 0.000 0.799 295 A HN 1.010 nan 8.150 nan 0.000 0.458 296 W N -1.267 120.414 121.300 0.636 0.000 6.199 296 W HA -0.270 4.390 4.660 -0.000 0.000 0.416 296 W C 0.875 177.578 176.519 0.306 0.000 1.636 296 W CA 0.520 58.079 57.345 0.357 0.000 1.040 296 W CB -1.962 27.597 29.460 0.165 0.000 2.854 296 W HN 0.727 nan 8.180 nan 0.000 1.467 297 H N -0.006 119.263 119.070 0.331 0.000 2.363 297 H HA 0.175 4.730 4.556 -0.001 0.000 0.301 297 H C 0.845 176.261 175.328 0.147 0.000 1.074 297 H CA 2.421 58.581 56.048 0.187 0.000 1.354 297 H CB 0.202 29.999 29.762 0.057 0.000 1.397 297 H HN 0.260 nan 8.280 nan 0.000 0.516 298 L N -0.511 120.654 121.223 -0.097 0.000 2.393 298 L HA 0.250 4.589 4.340 -0.001 0.000 0.260 298 L C -1.372 175.616 176.870 0.195 0.000 1.002 298 L CA -1.109 53.640 54.840 -0.152 0.000 0.818 298 L CB 2.439 44.204 42.059 -0.491 0.000 1.369 298 L HN 0.028 nan 8.230 nan 0.000 0.412 299 F N 3.289 123.272 119.950 0.056 0.000 2.307 299 F HA 0.553 5.080 4.527 -0.000 0.000 0.369 299 F C -0.327 175.426 175.800 -0.078 0.000 1.076 299 F CA -0.364 57.675 58.000 0.065 0.000 1.149 299 F CB 0.462 39.358 39.000 -0.173 0.000 1.410 299 F HN 0.172 nan 8.300 nan 0.000 0.481 300 I N 6.733 127.089 120.570 -0.356 0.000 2.396 300 I HA 0.370 4.540 4.170 -0.001 0.000 0.292 300 I C -0.109 175.829 176.117 -0.298 0.000 0.999 300 I CA -0.744 60.409 61.300 -0.244 0.000 1.310 300 I CB 1.282 39.211 38.000 -0.119 0.000 1.404 300 I HN 0.430 nan 8.210 nan 0.000 0.496 301 I N 2.743 123.221 120.570 -0.152 0.000 2.646 301 I HA 0.678 4.848 4.170 -0.001 0.000 0.299 301 I C -0.597 175.494 176.117 -0.043 0.000 1.036 301 I CA -1.059 60.203 61.300 -0.063 0.000 1.074 301 I CB 1.838 39.837 38.000 -0.002 0.000 1.258 301 I HN 0.382 nan 8.210 nan 0.000 0.430 302 R N 3.046 123.557 120.500 0.018 0.000 2.407 302 R HA 0.676 5.016 4.340 -0.001 0.000 0.303 302 R C -1.092 175.233 176.300 0.042 0.000 0.981 302 R CA -0.558 55.533 56.100 -0.015 0.000 0.905 302 R CB 1.985 32.288 30.300 0.005 0.000 1.099 302 R HN 0.603 nan 8.270 nan 0.000 0.459 303 V N 3.558 123.458 119.914 -0.024 0.000 2.250 303 V HA 0.156 4.275 4.120 -0.001 0.000 0.268 303 V C -0.485 175.590 176.094 -0.031 0.000 1.043 303 V CA -0.759 61.582 62.300 0.068 0.000 0.814 303 V CB 0.930 32.779 31.823 0.043 0.000 1.072 303 V HN 0.697 nan 8.190 nan 0.000 0.451 304 D N 2.960 123.347 120.400 -0.021 0.000 2.325 304 D HA 0.068 4.707 4.640 -0.001 0.000 0.251 304 D C 1.133 177.433 176.300 0.000 0.000 1.196 304 D CA -0.041 53.926 54.000 -0.055 0.000 0.866 304 D CB 1.505 42.322 40.800 0.028 0.000 1.101 304 D HN 0.674 nan 8.370 nan 0.000 0.476 305 E N 3.353 123.544 120.200 -0.015 0.000 2.086 305 E HA -0.296 4.054 4.350 -0.001 0.000 0.200 305 E C 1.643 178.252 176.600 0.015 0.000 1.012 305 E CA 1.677 58.080 56.400 0.005 0.000 0.812 305 E CB 0.107 29.805 29.700 -0.004 0.000 0.743 305 E HN 0.631 nan 8.360 nan 0.000 0.453 306 A N 1.321 124.156 122.820 0.025 0.000 1.851 306 A HA -0.241 4.079 4.320 -0.001 0.000 0.216 306 A C 2.237 179.833 177.584 0.020 0.000 1.195 306 A CA 1.903 53.958 52.037 0.029 0.000 0.622 306 A CB -0.732 18.297 19.000 0.048 0.000 0.831 306 A HN 0.305 nan 8.150 nan 0.000 0.444 307 R N -0.780 119.736 120.500 0.027 0.000 2.081 307 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 307 R C 1.878 178.151 176.300 -0.045 0.000 1.131 307 R CA 2.165 58.267 56.100 0.003 0.000 0.960 307 R CB -0.507 29.808 30.300 0.026 0.000 0.856 307 R HN 0.616 nan 8.270 nan 0.000 0.436 308 C N -1.376 117.898 119.300 -0.044 0.000 2.611 308 C HA 0.406 4.866 4.460 -0.001 0.000 0.282 308 C C 1.607 176.579 174.990 -0.030 0.000 1.321 308 C CA 0.129 59.093 59.018 -0.091 0.000 1.747 308 C CB 0.053 27.782 27.740 -0.018 0.000 2.124 308 C HN 0.794 nan 8.230 nan 0.000 0.531 309 G N 0.835 109.636 108.800 0.002 0.000 2.159 309 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.256 309 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.256 309 G C -0.144 174.774 174.900 0.031 0.000 0.977 309 G CA 0.477 45.585 45.100 0.013 0.000 0.652 309 G HN 0.604 nan 8.290 nan 0.000 0.531 310 I N 1.162 121.762 120.570 0.050 0.000 2.722 310 I HA 0.601 4.771 4.170 -0.001 0.000 0.295 310 I C 0.684 176.831 176.117 0.050 0.000 1.161 310 I CA -0.176 61.160 61.300 0.060 0.000 1.032 310 I CB 1.828 39.886 38.000 0.097 0.000 1.244 310 I HN 0.258 nan 8.210 nan 0.000 0.421 311 T N 3.022 117.589 114.554 0.020 0.000 2.788 311 T HA 0.288 4.638 4.350 -0.001 0.000 0.280 311 T C 1.133 175.824 174.700 -0.015 0.000 0.984 311 T CA -0.435 61.662 62.100 -0.006 0.000 0.972 311 T CB 1.249 70.105 68.868 -0.020 0.000 1.039 311 T HN 0.696 nan 8.240 nan 0.000 0.530 312 R N 0.587 121.058 120.500 -0.048 0.000 2.062 312 R HA -0.114 4.226 4.340 -0.001 0.000 0.231 312 R C 1.427 177.689 176.300 -0.064 0.000 1.136 312 R CA 2.016 58.074 56.100 -0.070 0.000 0.948 312 R CB -1.189 29.051 30.300 -0.100 0.000 0.845 312 R HN 0.742 nan 8.270 nan 0.000 0.430 313 D N 0.566 120.935 120.400 -0.052 0.000 2.123 313 D HA -0.122 4.517 4.640 -0.001 0.000 0.196 313 D C 1.767 178.050 176.300 -0.027 0.000 0.992 313 D CA 1.723 55.700 54.000 -0.039 0.000 0.833 313 D CB -0.337 40.445 40.800 -0.029 0.000 0.954 313 D HN 0.374 nan 8.370 nan 0.000 0.455 314 A N 0.715 123.524 122.820 -0.019 0.000 1.902 314 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 314 A C 2.257 179.833 177.584 -0.013 0.000 1.181 314 A CA 1.064 53.096 52.037 -0.008 0.000 0.623 314 A CB -0.828 18.174 19.000 0.003 0.000 0.818 314 A HN 0.306 nan 8.150 nan 0.000 0.443 315 L N -0.954 120.254 121.223 -0.026 0.000 2.017 315 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 315 L C 2.628 179.457 176.870 -0.067 0.000 1.073 315 L CA 1.954 56.762 54.840 -0.054 0.000 0.745 315 L CB -0.266 41.731 42.059 -0.102 0.000 0.894 315 L HN 0.430 nan 8.230 nan 0.000 0.432 316 M N -0.402 119.158 119.600 -0.068 0.000 2.080 316 M HA -0.243 4.237 4.480 -0.001 0.000 0.260 316 M C 2.390 178.681 176.300 -0.014 0.000 1.068 316 M CA 2.016 57.284 55.300 -0.052 0.000 1.109 316 M CB -0.594 31.974 32.600 -0.053 0.000 1.342 316 M HN 0.513 nan 8.290 nan 0.000 0.405 317 A N -0.871 121.945 122.820 -0.007 0.000 1.930 317 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 317 A C 2.235 179.829 177.584 0.016 0.000 1.175 317 A CA 2.065 54.109 52.037 0.013 0.000 0.627 317 A CB -0.825 18.180 19.000 0.010 0.000 0.815 317 A HN 0.479 nan 8.150 nan 0.000 0.443 318 S N -0.655 115.046 115.700 0.003 0.000 2.348 318 S HA -0.139 4.331 4.470 -0.001 0.000 0.221 318 S C 1.894 176.495 174.600 0.003 0.000 1.033 318 S CA 1.573 59.776 58.200 0.005 0.000 1.010 318 S CB -0.413 62.788 63.200 0.001 0.000 0.891 318 S HN 0.298 nan 8.310 nan 0.000 0.442 319 L N 2.165 123.377 121.223 -0.018 0.000 2.079 319 L HA -0.006 4.334 4.340 -0.001 0.000 0.210 319 L C 2.406 179.278 176.870 0.004 0.000 1.081 319 L CA 1.881 56.704 54.840 -0.029 0.000 0.752 319 L CB -0.937 41.085 42.059 -0.062 0.000 0.896 319 L HN 0.391 nan 8.230 nan 0.000 0.433 320 K N -1.383 119.046 120.400 0.050 0.000 2.217 320 K HA -0.120 4.200 4.320 -0.001 0.000 0.202 320 K C 1.820 178.502 176.600 0.136 0.000 1.051 320 K CA 1.438 57.807 56.287 0.137 0.000 0.952 320 K CB 0.065 32.658 32.500 0.155 0.000 0.736 320 K HN 0.482 nan 8.250 nan 0.000 0.453 321 T N -0.042 114.557 114.554 0.076 0.000 2.821 321 T HA -0.097 4.253 4.350 -0.001 0.000 0.267 321 T C 1.818 176.556 174.700 0.063 0.000 1.046 321 T CA 1.321 63.460 62.100 0.065 0.000 1.139 321 T CB -0.171 68.722 68.868 0.041 0.000 0.871 321 T HN 0.015 nan 8.240 nan 0.000 0.454 322 K N 0.588 121.013 120.400 0.041 0.000 2.551 322 K HA 0.416 4.736 4.320 -0.001 0.000 0.192 322 K C 1.627 178.234 176.600 0.011 0.000 1.027 322 K CA 0.200 56.499 56.287 0.019 0.000 1.059 322 K CB -0.624 31.871 32.500 -0.009 0.000 0.831 322 K HN 1.117 nan 8.250 nan 0.000 0.508 323 G N 1.255 110.093 108.800 0.063 0.000 2.176 323 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.252 323 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.252 323 G C 0.012 174.675 174.900 -0.394 0.000 1.024 323 G CA 0.207 45.341 45.100 0.056 0.000 0.755 323 G HN 0.524 nan 8.290 nan 0.000 0.507 324 I N 1.041 121.438 120.570 -0.289 0.000 2.382 324 I HA 0.536 4.705 4.170 -0.001 0.000 0.286 324 I C 0.996 176.959 176.117 -0.258 0.000 1.002 324 I CA -0.612 60.474 61.300 -0.355 0.000 1.135 324 I CB 1.754 39.654 38.000 -0.165 0.000 1.288 324 I HN 0.146 nan 8.210 nan 0.000 0.448 325 G N 3.794 112.383 108.800 -0.352 0.000 2.420 325 G HA2 0.616 4.576 3.960 -0.001 0.000 0.284 325 G HA3 0.616 4.576 3.960 -0.001 0.000 0.284 325 G C -0.231 174.772 174.900 0.171 0.000 1.177 325 G CA -0.142 45.024 45.100 0.109 0.000 0.841 325 G HN 0.588 nan 8.290 nan 0.000 0.527 326 T N -1.304 113.352 114.554 0.170 0.000 2.901 326 T HA 0.794 5.144 4.350 -0.001 0.000 0.293 326 T C 0.140 174.732 174.700 -0.181 0.000 1.084 326 T CA -0.374 61.733 62.100 0.012 0.000 1.008 326 T CB 2.103 70.921 68.868 -0.083 0.000 1.170 326 T HN 0.908 nan 8.240 nan 0.000 0.509 327 G N -0.125 108.279 108.800 -0.661 0.000 2.511 327 G HA2 0.674 4.634 3.960 -0.001 0.000 0.318 327 G HA3 0.674 4.634 3.960 -0.001 0.000 0.318 327 G C -1.545 172.959 174.900 -0.659 0.000 1.210 327 G CA -1.037 43.475 45.100 -0.981 0.000 0.969 327 G HN 0.883 nan 8.290 nan 0.000 0.484 328 L N 1.373 122.118 121.223 -0.797 0.000 2.401 328 L HA 0.431 4.770 4.340 -0.001 0.000 0.263 328 L C -1.067 175.302 176.870 -0.835 0.000 1.004 328 L CA -0.762 53.737 54.840 -0.567 0.000 0.881 328 L CB 0.661 42.554 42.059 -0.275 0.000 1.219 328 L HN 0.642 nan 8.230 nan 0.000 0.441 329 H N 4.460 123.252 119.070 -0.463 0.000 2.736 329 H HA 0.508 5.064 4.556 -0.001 0.000 0.271 329 H C -1.222 173.836 175.328 -0.449 0.000 1.184 329 H CA -0.148 55.315 56.048 -0.974 0.000 1.378 329 H CB 0.617 29.688 29.762 -1.152 0.000 1.428 329 H HN 0.301 nan 8.280 nan 0.000 0.500 330 F N -0.252 119.848 119.950 0.249 0.000 2.643 330 F HA 0.369 4.896 4.527 0.000 0.000 0.314 330 F C 0.207 176.073 175.800 0.111 0.000 1.096 330 F CA -1.243 56.862 58.000 0.175 0.000 0.953 330 F CB 1.523 40.699 39.000 0.294 0.000 1.345 330 F HN 0.207 nan 8.300 nan 0.000 0.468 331 R N 2.087 122.768 120.500 0.303 0.000 2.309 331 R HA 0.511 4.851 4.340 -0.001 0.000 0.331 331 R C -0.331 176.073 176.300 0.173 0.000 1.116 331 R CA -0.186 56.011 56.100 0.163 0.000 0.970 331 R CB 0.139 30.510 30.300 0.118 0.000 1.024 331 R HN 0.816 nan 8.270 nan 0.000 0.472 332 A N 3.952 126.856 122.820 0.140 0.000 2.616 332 A HA -0.016 4.304 4.320 -0.001 0.000 0.234 332 A C 1.516 179.123 177.584 0.039 0.000 1.024 332 A CA 0.866 52.977 52.037 0.123 0.000 0.758 332 A CB 0.129 19.217 19.000 0.147 0.000 0.939 332 A HN 0.982 nan 8.150 nan 0.000 0.510 333 A N 2.174 124.987 122.820 -0.011 0.000 1.892 333 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 333 A C 1.857 179.411 177.584 -0.050 0.000 1.188 333 A CA 2.063 54.011 52.037 -0.148 0.000 0.631 333 A CB -1.003 17.771 19.000 -0.377 0.000 0.822 333 A HN 1.331 nan 8.150 nan 0.000 0.447 334 H N -0.019 119.003 119.070 -0.081 0.000 2.561 334 H HA -0.039 4.517 4.556 -0.001 0.000 0.278 334 H C 1.343 176.732 175.328 0.101 0.000 1.014 334 H CA 1.746 57.818 56.048 0.039 0.000 1.211 334 H CB -0.957 28.792 29.762 -0.020 0.000 1.365 334 H HN 0.515 nan 8.280 nan 0.000 0.594 335 T N -2.067 112.315 114.554 -0.286 0.000 3.086 335 T HA 0.135 4.485 4.350 -0.001 0.000 0.250 335 T C 0.508 175.192 174.700 -0.027 0.000 1.074 335 T CA -0.526 61.445 62.100 -0.215 0.000 0.988 335 T CB 0.251 68.975 68.868 -0.240 0.000 0.988 335 T HN 0.321 nan 8.240 nan 0.000 0.530 336 Q N 1.118 120.960 119.800 0.071 0.000 2.230 336 Q HA 0.358 4.698 4.340 -0.001 0.000 0.248 336 Q C 0.869 176.957 176.000 0.146 0.000 0.915 336 Q CA -0.607 55.268 55.803 0.119 0.000 0.900 336 Q CB 2.184 31.020 28.738 0.163 0.000 1.229 336 Q HN 0.205 nan 8.270 nan 0.000 0.439 337 K N 1.450 121.903 120.400 0.089 0.000 2.005 337 K HA -0.350 3.969 4.320 -0.001 0.000 0.229 337 K C 1.828 178.447 176.600 0.032 0.000 1.050 337 K CA 2.349 58.667 56.287 0.052 0.000 0.994 337 K CB -0.396 32.128 32.500 0.039 0.000 0.736 337 K HN 0.655 nan 8.250 nan 0.000 0.448 338 Y N 0.016 120.254 120.300 -0.103 0.000 2.102 338 Y HA -0.329 4.220 4.550 -0.002 0.000 0.280 338 Y C 1.979 177.694 175.900 -0.308 0.000 1.178 338 Y CA 2.296 60.235 58.100 -0.268 0.000 1.146 338 Y CB -0.455 37.737 38.460 -0.448 0.000 0.968 338 Y HN 0.281 nan 8.280 nan 0.000 0.504 339 Y N -0.488 119.886 120.300 0.124 0.000 2.314 339 Y HA -0.081 4.469 4.550 -0.001 0.000 0.293 339 Y C 2.563 178.522 175.900 0.099 0.000 1.129 339 Y CA 1.199 59.393 58.100 0.156 0.000 1.201 339 Y CB -0.332 38.300 38.460 0.285 0.000 0.999 339 Y HN -0.025 nan 8.280 nan 0.000 0.541 340 R N 0.480 121.067 120.500 0.146 0.000 2.073 340 R HA -0.175 4.165 4.340 -0.001 0.000 0.234 340 R C 1.898 178.189 176.300 -0.014 0.000 1.134 340 R CA 1.839 57.987 56.100 0.081 0.000 0.952 340 R CB -0.321 29.997 30.300 0.030 0.000 0.850 340 R HN 0.482 nan 8.270 nan 0.000 0.433 341 E N -0.106 120.020 120.200 -0.123 0.000 2.204 341 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 341 E C 2.038 178.452 176.600 -0.311 0.000 0.989 341 E CA 0.703 56.984 56.400 -0.198 0.000 0.824 341 E CB 0.002 29.572 29.700 -0.218 0.000 0.756 341 E HN 0.228 nan 8.360 nan 0.000 0.477 342 R N 0.036 120.244 120.500 -0.487 0.000 2.173 342 R HA 0.028 4.367 4.340 -0.001 0.000 0.208 342 R C 0.122 175.969 176.300 -0.755 0.000 1.035 342 R CA 0.531 56.195 56.100 -0.727 0.000 1.004 342 R CB 0.348 29.986 30.300 -1.103 0.000 0.917 342 R HN 0.011 nan 8.270 nan 0.000 0.462 343 F N 1.334 121.248 119.950 -0.060 0.000 2.542 343 F HA 0.387 4.914 4.527 -0.000 0.000 0.323 343 F C -1.695 174.112 175.800 0.013 0.000 1.411 343 F CA -2.111 55.888 58.000 -0.002 0.000 1.124 343 F CB 1.804 40.836 39.000 0.053 0.000 1.331 343 F HN -0.018 nan 8.300 nan 0.000 0.560 344 P HA -0.165 nan 4.420 nan 0.000 0.218 344 P C 1.419 178.769 177.300 0.082 0.000 1.148 344 P CA 1.613 64.750 63.100 0.062 0.000 0.822 344 P CB -0.083 31.618 31.700 0.003 0.000 0.784 345 T N -3.730 110.876 114.554 0.086 0.000 3.107 345 T HA 0.149 4.498 4.350 -0.001 0.000 0.249 345 T C 0.690 175.434 174.700 0.074 0.000 1.096 345 T CA -0.469 61.671 62.100 0.068 0.000 1.012 345 T CB -0.796 68.100 68.868 0.047 0.000 0.977 345 T HN -0.122 nan 8.240 nan 0.000 0.527 346 L N 4.312 125.602 121.223 0.112 0.000 2.477 346 L HA 0.415 4.755 4.340 -0.001 0.000 0.272 346 L C 0.018 176.911 176.870 0.038 0.000 1.157 346 L CA 0.439 55.306 54.840 0.046 0.000 0.889 346 L CB 0.104 42.179 42.059 0.027 0.000 1.158 346 L HN 0.424 nan 8.230 nan 0.000 0.473 347 T N 3.786 118.321 114.554 -0.031 0.000 2.848 347 T HA 0.680 5.029 4.350 -0.001 0.000 0.285 347 T C -0.435 174.204 174.700 -0.102 0.000 0.995 347 T CA -0.693 61.405 62.100 -0.003 0.000 0.970 347 T CB 1.097 69.979 68.868 0.022 0.000 0.976 347 T HN 0.493 nan 8.240 nan 0.000 0.441 348 L N 4.052 125.222 121.223 -0.088 0.000 2.490 348 L HA 0.324 4.664 4.340 -0.001 0.000 0.256 348 L C -2.164 174.703 176.870 -0.004 0.000 1.089 348 L CA -2.174 52.579 54.840 -0.145 0.000 0.916 348 L CB 1.996 43.860 42.059 -0.325 0.000 1.188 348 L HN 0.390 nan 8.230 nan 0.000 0.476 349 P HA -0.193 nan 4.420 nan 0.000 0.215 349 P C 0.832 178.200 177.300 0.114 0.000 1.163 349 P CA 1.416 64.556 63.100 0.067 0.000 0.894 349 P CB 0.353 32.069 31.700 0.027 0.000 0.791 350 D N -1.498 118.940 120.400 0.063 0.000 2.117 350 D HA -0.107 4.532 4.640 -0.001 0.000 0.197 350 D C 1.935 178.329 176.300 0.156 0.000 0.987 350 D CA 1.413 55.472 54.000 0.098 0.000 0.829 350 D CB -1.077 39.749 40.800 0.043 0.000 0.961 350 D HN 0.151 nan 8.370 nan 0.000 0.460 351 T N 1.251 115.862 114.554 0.095 0.000 2.684 351 T HA -0.155 4.194 4.350 -0.001 0.000 0.267 351 T C 1.860 176.663 174.700 0.172 0.000 1.036 351 T CA 1.367 63.536 62.100 0.116 0.000 1.148 351 T CB -0.205 68.715 68.868 0.086 0.000 0.863 351 T HN 0.277 nan 8.240 nan 0.000 0.436 352 E N -0.354 119.966 120.200 0.199 0.000 2.072 352 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 352 E C 1.861 178.550 176.600 0.149 0.000 0.985 352 E CA 0.929 57.429 56.400 0.168 0.000 0.801 352 E CB -0.195 29.607 29.700 0.170 0.000 0.750 352 E HN 0.568 nan 8.360 nan 0.000 0.452 353 W N 2.267 123.584 121.300 0.028 0.000 2.335 353 W HA -0.196 4.463 4.660 -0.001 0.000 0.311 353 W C 1.870 178.397 176.519 0.012 0.000 1.213 353 W CA 1.612 58.967 57.345 0.016 0.000 1.274 353 W CB -0.167 29.299 29.460 0.011 0.000 1.148 353 W HN -0.012 nan 8.180 nan 0.000 0.498 354 N N -0.432 118.394 118.700 0.211 0.000 2.216 354 N HA -0.176 4.564 4.740 -0.001 0.000 0.183 354 N C 1.920 177.401 175.510 -0.049 0.000 1.017 354 N CA 1.601 54.681 53.050 0.049 0.000 0.861 354 N CB -0.894 37.680 38.487 0.146 0.000 0.986 354 N HN 0.167 nan 8.380 nan 0.000 0.428 355 S N 0.955 116.661 115.700 0.010 0.000 2.383 355 S HA -0.192 4.278 4.470 -0.001 0.000 0.229 355 S C 1.884 176.449 174.600 -0.058 0.000 1.030 355 S CA 1.960 60.165 58.200 0.008 0.000 1.002 355 S CB -0.120 63.108 63.200 0.046 0.000 0.829 355 S HN 0.562 nan 8.310 nan 0.000 0.467 356 E N 0.348 120.478 120.200 -0.116 0.000 2.435 356 E HA 0.137 4.487 4.350 -0.001 0.000 0.195 356 E C 1.884 178.362 176.600 -0.204 0.000 1.029 356 E CA 0.545 56.857 56.400 -0.147 0.000 0.865 356 E CB -0.349 29.259 29.700 -0.154 0.000 0.833 356 E HN 0.758 nan 8.360 nan 0.000 0.510 357 R N -0.768 119.570 120.500 -0.270 0.000 2.394 357 R HA 0.300 4.639 4.340 -0.001 0.000 0.220 357 R C 1.215 177.402 176.300 -0.188 0.000 0.887 357 R CA 0.211 56.139 56.100 -0.286 0.000 1.034 357 R CB 0.265 30.239 30.300 -0.543 0.000 1.179 357 R HN 0.565 nan 8.270 nan 0.000 0.561 358 I N -0.545 119.938 120.570 -0.144 0.000 2.662 358 I HA 0.413 4.583 4.170 -0.001 0.000 0.291 358 I C 0.147 176.186 176.117 -0.129 0.000 1.046 358 I CA -0.805 60.429 61.300 -0.111 0.000 1.361 358 I CB 1.108 39.069 38.000 -0.066 0.000 1.429 358 I HN 0.044 nan 8.210 nan 0.000 0.558 359 C N 2.045 121.260 119.300 -0.142 0.000 3.284 359 C HA 0.671 5.131 4.460 -0.001 0.000 0.338 359 C C -0.550 174.330 174.990 -0.183 0.000 1.237 359 C CA -0.507 58.402 59.018 -0.181 0.000 1.276 359 C CB 1.173 28.805 27.740 -0.180 0.000 1.601 359 C HN 0.872 nan 8.230 nan 0.000 0.494 360 S N 2.317 117.877 115.700 -0.232 0.000 2.433 360 S HA 0.675 5.145 4.470 -0.001 0.000 0.310 360 S C -0.154 174.334 174.600 -0.187 0.000 1.097 360 S CA -0.470 57.602 58.200 -0.214 0.000 1.103 360 S CB 0.686 63.727 63.200 -0.264 0.000 0.992 360 S HN 0.684 nan 8.310 nan 0.000 0.469 361 L N 3.077 124.235 121.223 -0.109 0.000 2.439 361 L HA 0.436 4.776 4.340 -0.001 0.000 0.259 361 L C -2.328 174.614 176.870 0.120 0.000 1.129 361 L CA -2.583 52.219 54.840 -0.063 0.000 0.803 361 L CB -0.199 41.718 42.059 -0.236 0.000 1.161 361 L HN 0.287 nan 8.230 nan 0.000 0.462 362 P HA 0.072 nan 4.420 nan 0.000 0.261 362 P C -1.002 176.541 177.300 0.405 0.000 1.183 362 P CA 0.361 63.696 63.100 0.391 0.000 0.761 362 P CB 0.373 32.265 31.700 0.319 0.000 0.785 363 L N 6.668 128.163 121.223 0.453 0.000 2.661 363 L HA 0.609 4.949 4.340 -0.001 0.000 0.263 363 L C -1.536 175.588 176.870 0.425 0.000 0.956 363 L CA -0.272 54.767 54.840 0.331 0.000 0.918 363 L CB 0.462 42.718 42.059 0.327 0.000 1.280 363 L HN 0.336 nan 8.230 nan 0.000 0.416 364 F N 2.670 122.703 119.950 0.139 0.000 2.693 364 F HA 0.699 5.225 4.527 -0.001 0.000 0.309 364 F C -2.446 173.404 175.800 0.084 0.000 1.129 364 F CA -1.700 56.367 58.000 0.110 0.000 0.948 364 F CB 0.471 39.516 39.000 0.075 0.000 1.315 364 F HN 0.076 nan 8.300 nan 0.000 0.447 365 P HA -0.084 nan 4.420 nan 0.000 0.218 365 P C 0.346 177.677 177.300 0.052 0.000 1.148 365 P CA 1.498 64.660 63.100 0.105 0.000 0.822 365 P CB 0.181 31.962 31.700 0.135 0.000 0.784 366 D N -1.779 118.721 120.400 0.165 0.000 2.339 366 D HA 0.055 4.695 4.640 -0.001 0.000 0.217 366 D C 0.780 177.047 176.300 -0.055 0.000 1.050 366 D CA 0.110 54.187 54.000 0.127 0.000 0.856 366 D CB -0.265 40.690 40.800 0.260 0.000 0.922 366 D HN 0.245 nan 8.370 nan 0.000 0.518 367 M N 1.960 121.226 119.600 -0.557 0.000 2.269 367 M HA -0.003 4.477 4.480 -0.001 0.000 0.350 367 M C 0.599 176.721 176.300 -0.297 0.000 1.429 367 M CA 0.332 55.181 55.300 -0.752 0.000 1.063 367 M CB 0.570 32.466 32.600 -1.173 0.000 1.841 367 M HN -0.052 nan 8.290 nan 0.000 0.455 368 T N 0.203 114.661 114.554 -0.161 0.000 2.884 368 T HA 0.274 4.624 4.350 -0.001 0.000 0.277 368 T C 0.641 175.302 174.700 -0.065 0.000 0.976 368 T CA -0.694 61.351 62.100 -0.092 0.000 0.956 368 T CB 1.254 70.099 68.868 -0.038 0.000 1.113 368 T HN 0.781 nan 8.240 nan 0.000 0.554 369 E N 0.080 120.251 120.200 -0.048 0.000 2.208 369 E HA -0.045 4.304 4.350 -0.001 0.000 0.193 369 E C 2.129 178.746 176.600 0.028 0.000 0.988 369 E CA 1.105 57.509 56.400 0.007 0.000 0.828 369 E CB -0.416 29.270 29.700 -0.023 0.000 0.763 369 E HN 0.671 nan 8.360 nan 0.000 0.478 370 S N 1.140 116.839 115.700 -0.002 0.000 2.374 370 S HA -0.208 4.262 4.470 -0.001 0.000 0.227 370 S C 1.379 175.971 174.600 -0.012 0.000 1.037 370 S CA 1.452 59.649 58.200 -0.004 0.000 1.024 370 S CB -0.422 62.776 63.200 -0.003 0.000 0.861 370 S HN 0.375 nan 8.310 nan 0.000 0.456 371 D N 0.863 121.255 120.400 -0.013 0.000 2.078 371 D HA -0.053 4.586 4.640 -0.001 0.000 0.193 371 D C 1.647 177.911 176.300 -0.061 0.000 0.990 371 D CA 0.889 54.873 54.000 -0.027 0.000 0.827 371 D CB -0.565 40.213 40.800 -0.036 0.000 0.975 371 D HN 0.347 nan 8.370 nan 0.000 0.451 372 F N 2.053 121.889 119.950 -0.190 0.000 2.008 372 F HA -0.300 4.227 4.527 -0.001 0.000 0.297 372 F C 2.165 177.844 175.800 -0.200 0.000 1.156 372 F CA 2.272 60.110 58.000 -0.269 0.000 1.191 372 F CB -0.633 38.158 39.000 -0.348 0.000 0.955 372 F HN -0.135 nan 8.300 nan 0.000 0.497 373 D N -0.403 119.954 120.400 -0.072 0.000 2.170 373 D HA -0.286 4.354 4.640 -0.001 0.000 0.193 373 D C 2.428 178.618 176.300 -0.184 0.000 1.004 373 D CA 1.887 55.811 54.000 -0.126 0.000 0.860 373 D CB -0.328 40.487 40.800 0.026 0.000 0.931 373 D HN 0.319 nan 8.370 nan 0.000 0.448 374 R N -0.263 120.155 120.500 -0.137 0.000 2.105 374 R HA -0.140 4.200 4.340 -0.001 0.000 0.239 374 R C 1.994 178.207 176.300 -0.145 0.000 1.135 374 R CA 1.355 57.390 56.100 -0.108 0.000 0.967 374 R CB -0.257 29.998 30.300 -0.075 0.000 0.861 374 R HN 0.151 nan 8.270 nan 0.000 0.442 375 V N 1.304 121.082 119.914 -0.227 0.000 2.358 375 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 375 V C 2.393 178.351 176.094 -0.227 0.000 1.047 375 V CA 1.357 63.528 62.300 -0.214 0.000 1.035 375 V CB -0.362 31.329 31.823 -0.220 0.000 0.658 375 V HN 0.323 nan 8.190 nan 0.000 0.452 376 I N 1.172 121.523 120.570 -0.364 0.000 2.394 376 I HA -0.156 4.014 4.170 -0.001 0.000 0.251 376 I C 2.578 178.674 176.117 -0.035 0.000 1.136 376 I CA 2.274 63.429 61.300 -0.242 0.000 1.425 376 I CB -1.489 36.315 38.000 -0.327 0.000 1.079 376 I HN 0.548 nan 8.210 nan 0.000 0.425 377 T N -1.512 113.023 114.554 -0.033 0.000 3.129 377 T HA 0.267 4.616 4.350 -0.001 0.000 0.251 377 T C 1.597 176.317 174.700 0.034 0.000 1.117 377 T CA 0.688 62.815 62.100 0.045 0.000 1.034 377 T CB 0.096 68.974 68.868 0.016 0.000 0.968 377 T HN 0.240 nan 8.240 nan 0.000 0.526 378 A N 0.756 123.568 122.820 -0.013 0.000 2.014 378 A HA 0.473 4.793 4.320 -0.001 0.000 0.210 378 A C 2.171 179.753 177.584 -0.003 0.000 1.188 378 A CA 0.074 52.103 52.037 -0.014 0.000 0.731 378 A CB -0.357 18.615 19.000 -0.047 0.000 0.858 378 A HN 0.493 nan 8.150 nan 0.000 0.464 379 L N -1.237 119.966 121.223 -0.032 0.000 2.027 379 L HA -0.156 4.184 4.340 -0.001 0.000 0.206 379 L C 2.522 179.437 176.870 0.075 0.000 1.074 379 L CA 1.585 56.415 54.840 -0.016 0.000 0.745 379 L CB -0.722 41.289 42.059 -0.080 0.000 0.898 379 L HN 0.492 nan 8.230 nan 0.000 0.433 380 H N -1.014 118.113 119.070 0.096 0.000 2.290 380 H HA -0.217 4.339 4.556 -0.000 0.000 0.298 380 H C 2.561 177.925 175.328 0.060 0.000 1.087 380 H CA 1.860 57.954 56.048 0.076 0.000 1.291 380 H CB -0.055 29.728 29.762 0.035 0.000 1.369 380 H HN 0.140 nan 8.280 nan 0.000 0.492 381 Q N 0.195 120.092 119.800 0.162 0.000 2.029 381 Q HA -0.210 4.130 4.340 -0.001 0.000 0.209 381 Q C 2.589 178.644 176.000 0.092 0.000 0.999 381 Q CA 1.806 57.667 55.803 0.097 0.000 0.857 381 Q CB -0.785 27.988 28.738 0.060 0.000 0.926 381 Q HN 0.558 nan 8.270 nan 0.000 0.415 382 I N -0.041 120.586 120.570 0.095 0.000 2.163 382 I HA -0.186 3.984 4.170 -0.001 0.000 0.243 382 I C 1.500 177.701 176.117 0.140 0.000 1.085 382 I CA 0.889 62.253 61.300 0.107 0.000 1.347 382 I CB -0.421 37.640 38.000 0.102 0.000 1.044 382 I HN 0.337 nan 8.210 nan 0.000 0.408 383 A N 0.000 122.924 122.820 0.174 0.000 2.254 383 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 383 A CA 0.000 52.090 52.037 0.089 0.000 0.836 383 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486