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 1g0d_1_A DATA FIRST_RESID 6 DATA SEQUENCE GLIVDVNGRS HENNLAHRTR EIDRERLIVR RGQPFSITLQ CSDSLPPKHH DATA SEQUENCE LELVLHLGKR DEVVIKVQKE HGARDKWWFN QQGAQDEILL TLHSPANAVI DATA SEQUENCE GHYRLAVLVM SPDGHIVERA DKISFHMLFN PWCRDDMVYL PDESKLQEYV DATA SEQUENCE MNEDGVIYMG TWDYIRSIPW NYGQFEDYVM DICFEVLDNS PAALKNSEMD DATA SEQUENCE IEHRSDPVYV GRTITAMVNS NGDRGVLTGR WEEPYTDGVA PYRWTGSVPI DATA SEQUENCE LQQWSKAGVR PVKYGQCWVF AAVACTVLRC LGIPTRPITN FASAHDVDGN DATA SEQUENCE LSVDFLLNER LESLDSRQRS DSSWNFHCWV ESWMSREDLP EGNDGWQVLD DATA SEQUENCE PTPQELSDGE FCCGPCPVAA IKEGNLGVKY DAPFVFAEVN ADTIYWIVQK DATA SEQUENCE DGQRRKITED HASVGKNIST KSVYGNHRED VTLHYKYPEG SQKEREVYKK DATA SEQUENCE AGRRVTXXXX XXXXXXRLQL SIKHAQPVFG TDFDVIVEVK NEGGRDAHAQ DATA SEQUENCE LTMLAMAVTY NSLRRGECQR KTISVTVPAH KAHKEVMRLH YDDYVRCVSE DATA SEQUENCE HHLIRVKALL DAPXXXGPIM TVANIPLSTP ELLVQVPGKA VVWEPLTAYV DATA SEQUENCE SFTNPLPVPL KGGVFTLEGA GLLSATQIHV NGAVAPSGKV SVKLSFSPMR DATA SEQUENCE TGVRKLLVDF DSDRLKDVKG VTTVVVHKK 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 6 G C 0.000 174.912 174.900 0.020 0.000 0.946 6 G CA 0.000 45.114 45.100 0.024 0.000 0.502 7 L N 0.176 121.413 121.223 0.024 0.000 2.131 7 L HA 0.492 4.832 4.340 -0.001 0.000 0.206 7 L C 1.217 178.095 176.870 0.014 0.000 1.087 7 L CA 0.388 55.240 54.840 0.020 0.000 0.767 7 L CB -1.065 41.010 42.059 0.026 0.000 0.917 7 L HN 0.136 nan 8.230 nan 0.000 0.441 8 I N 0.966 121.542 120.570 0.010 0.000 2.581 8 I HA -0.007 4.163 4.170 -0.001 0.000 0.285 8 I C 0.953 177.074 176.117 0.006 0.000 1.129 8 I CA -0.147 61.156 61.300 0.006 0.000 1.397 8 I CB 0.784 38.783 38.000 -0.002 0.000 1.399 8 I HN -0.037 nan 8.210 nan 0.000 0.537 9 V N 4.800 124.718 119.914 0.007 0.000 2.949 9 V HA 0.009 4.128 4.120 -0.001 0.000 0.245 9 V C -0.019 176.080 176.094 0.008 0.000 1.086 9 V CA 1.094 63.398 62.300 0.008 0.000 1.097 9 V CB -0.492 31.337 31.823 0.009 0.000 0.762 9 V HN 1.066 nan 8.190 nan 0.000 0.470 10 D N -2.353 118.052 120.400 0.009 0.000 2.747 10 D HA 0.312 4.951 4.640 -0.001 0.000 0.218 10 D C -1.225 175.082 176.300 0.013 0.000 1.230 10 D CA -0.499 53.508 54.000 0.012 0.000 0.774 10 D CB 1.434 42.243 40.800 0.015 0.000 1.667 10 D HN -0.142 nan 8.370 nan 0.000 0.499 11 V N 1.916 121.839 119.914 0.014 0.000 2.607 11 V HA 0.503 4.622 4.120 -0.001 0.000 0.289 11 V C -0.061 176.049 176.094 0.028 0.000 1.053 11 V CA -0.507 61.802 62.300 0.016 0.000 0.996 11 V CB 1.397 33.228 31.823 0.014 0.000 0.995 11 V HN 0.690 nan 8.190 nan 0.000 0.476 12 N N 2.608 121.326 118.700 0.029 0.000 2.448 12 N HA 0.347 5.087 4.740 -0.001 0.000 0.279 12 N C 0.715 176.253 175.510 0.047 0.000 1.025 12 N CA -0.018 53.056 53.050 0.040 0.000 0.898 12 N CB 2.081 40.589 38.487 0.034 0.000 1.303 12 N HN 0.732 nan 8.380 nan 0.000 0.495 13 G N 1.798 110.634 108.800 0.061 0.000 2.744 13 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.211 13 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.211 13 G C 0.200 175.138 174.900 0.064 0.000 1.143 13 G CA -0.185 44.956 45.100 0.067 0.000 0.788 13 G HN 0.773 nan 8.290 nan 0.000 0.534 14 R N 0.114 120.655 120.500 0.069 0.000 3.158 14 R HA -0.214 4.126 4.340 -0.001 0.000 0.244 14 R C 1.626 177.974 176.300 0.080 0.000 0.900 14 R CA 0.414 56.561 56.100 0.079 0.000 0.618 14 R CB -2.337 28.001 30.300 0.063 0.000 1.061 14 R HN 0.542 nan 8.270 nan 0.000 0.471 15 S N -1.703 114.045 115.700 0.080 0.000 2.406 15 S HA -0.138 4.331 4.470 -0.001 0.000 0.228 15 S C 1.459 176.060 174.600 0.001 0.000 1.020 15 S CA 1.083 59.296 58.200 0.021 0.000 0.965 15 S CB -0.111 63.084 63.200 -0.008 0.000 0.798 15 S HN 0.649 nan 8.310 nan 0.000 0.488 16 H N 1.704 120.785 119.070 0.018 0.000 2.387 16 H HA 0.044 4.600 4.556 -0.001 0.000 0.299 16 H C 2.153 177.487 175.328 0.011 0.000 1.090 16 H CA 1.959 58.016 56.048 0.014 0.000 1.332 16 H CB -0.044 29.728 29.762 0.017 0.000 1.386 16 H HN 0.530 nan 8.280 nan 0.000 0.516 17 E N -0.363 119.920 120.200 0.137 0.000 2.042 17 E HA -0.056 4.293 4.350 -0.001 0.000 0.189 17 E C 1.983 178.626 176.600 0.072 0.000 0.974 17 E CA 0.582 57.033 56.400 0.085 0.000 0.806 17 E CB 0.095 29.838 29.700 0.073 0.000 0.769 17 E HN 0.333 nan 8.360 nan 0.000 0.451 18 N N 1.067 119.815 118.700 0.080 0.000 2.104 18 N HA -0.125 4.614 4.740 -0.001 0.000 0.190 18 N C 1.392 176.988 175.510 0.143 0.000 1.024 18 N CA 1.056 54.184 53.050 0.129 0.000 0.853 18 N CB -0.378 38.129 38.487 0.034 0.000 1.008 18 N HN 0.104 nan 8.380 nan 0.000 0.424 19 N N 1.146 119.861 118.700 0.024 0.000 2.223 19 N HA -0.058 4.682 4.740 -0.001 0.000 0.185 19 N C 1.753 177.255 175.510 -0.013 0.000 1.016 19 N CA 0.224 53.266 53.050 -0.014 0.000 0.863 19 N CB -0.332 38.114 38.487 -0.070 0.000 0.983 19 N HN 0.260 nan 8.380 nan 0.000 0.429 20 L N 0.106 121.325 121.223 -0.005 0.000 2.072 20 L HA -0.016 4.323 4.340 -0.001 0.000 0.205 20 L C 1.884 178.715 176.870 -0.065 0.000 1.079 20 L CA 1.095 55.913 54.840 -0.037 0.000 0.752 20 L CB -0.430 41.622 42.059 -0.012 0.000 0.906 20 L HN 0.140 nan 8.230 nan 0.000 0.436 21 A N -1.674 121.126 122.820 -0.032 0.000 2.015 21 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 21 A C 1.707 179.139 177.584 -0.252 0.000 1.163 21 A CA 0.972 52.933 52.037 -0.127 0.000 0.646 21 A CB -0.577 18.362 19.000 -0.102 0.000 0.806 21 A HN 0.570 nan 8.150 nan 0.000 0.448 22 H N -0.909 118.080 119.070 -0.134 0.000 2.549 22 H HA 0.161 4.716 4.556 -0.001 0.000 0.279 22 H C -0.214 174.992 175.328 -0.202 0.000 1.018 22 H CA 0.224 56.188 56.048 -0.139 0.000 1.175 22 H CB 0.137 29.850 29.762 -0.081 0.000 1.485 22 H HN 0.523 nan 8.280 nan 0.000 0.543 23 R N 0.400 120.792 120.500 -0.180 0.000 3.422 23 R HA -0.144 4.195 4.340 -0.001 0.000 0.267 23 R C 0.431 176.618 176.300 -0.189 0.000 1.074 23 R CA 0.980 56.924 56.100 -0.260 0.000 0.718 23 R CB -2.706 27.291 30.300 -0.505 0.000 1.157 23 R HN 0.450 nan 8.270 nan 0.000 0.440 24 T N -3.867 110.600 114.554 -0.144 0.000 3.058 24 T HA 0.091 4.440 4.350 -0.001 0.000 0.278 24 T C 1.270 175.858 174.700 -0.187 0.000 0.974 24 T CA -0.109 61.901 62.100 -0.150 0.000 0.893 24 T CB 0.249 69.103 68.868 -0.024 0.000 1.138 24 T HN 0.536 nan 8.240 nan 0.000 0.529 25 R N 1.268 121.659 120.500 -0.182 0.000 2.280 25 R HA 0.149 4.488 4.340 -0.001 0.000 0.207 25 R C 1.524 177.723 176.300 -0.168 0.000 1.043 25 R CA 0.673 56.680 56.100 -0.154 0.000 1.006 25 R CB -0.305 29.925 30.300 -0.117 0.000 0.885 25 R HN 0.178 nan 8.270 nan 0.000 0.467 26 E N 1.366 121.401 120.200 -0.274 0.000 2.150 26 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 26 E C 1.954 178.492 176.600 -0.103 0.000 0.985 26 E CA 1.003 57.272 56.400 -0.220 0.000 0.814 26 E CB -0.095 29.355 29.700 -0.416 0.000 0.752 26 E HN 0.486 nan 8.360 nan 0.000 0.466 27 I N 0.287 120.777 120.570 -0.133 0.000 2.163 27 I HA -0.157 4.013 4.170 -0.001 0.000 0.240 27 I C 0.788 176.886 176.117 -0.033 0.000 1.081 27 I CA 1.023 62.327 61.300 0.008 0.000 1.353 27 I CB 0.171 38.197 38.000 0.044 0.000 1.054 27 I HN -0.058 nan 8.210 nan 0.000 0.407 28 D N -1.768 118.597 120.400 -0.058 0.000 2.734 28 D HA 0.199 4.838 4.640 -0.001 0.000 0.224 28 D C -0.021 176.215 176.300 -0.107 0.000 1.222 28 D CA -0.457 53.508 54.000 -0.058 0.000 0.761 28 D CB 1.314 42.100 40.800 -0.023 0.000 1.569 28 D HN -0.175 nan 8.370 nan 0.000 0.477 29 R N 0.630 121.031 120.500 -0.166 0.000 2.250 29 R HA 0.123 4.462 4.340 -0.001 0.000 0.194 29 R C 1.059 177.124 176.300 -0.392 0.000 0.927 29 R CA 0.215 56.074 56.100 -0.402 0.000 1.052 29 R CB 0.605 30.523 30.300 -0.636 0.000 1.055 29 R HN 0.287 nan 8.270 nan 0.000 0.537 30 E N 1.318 121.430 120.200 -0.146 0.000 2.435 30 E HA -0.032 4.317 4.350 -0.001 0.000 0.195 30 E C -0.015 176.603 176.600 0.030 0.000 1.029 30 E CA 0.549 56.942 56.400 -0.011 0.000 0.865 30 E CB 0.167 29.898 29.700 0.051 0.000 0.833 30 E HN 0.369 nan 8.360 nan 0.000 0.510 31 R N 0.242 120.755 120.500 0.022 0.000 2.686 31 R HA 0.493 4.832 4.340 -0.001 0.000 0.286 31 R C -0.562 175.777 176.300 0.065 0.000 0.969 31 R CA -1.050 55.097 56.100 0.078 0.000 0.898 31 R CB 1.128 31.506 30.300 0.130 0.000 1.183 31 R HN -0.140 nan 8.270 nan 0.000 0.456 32 L N 3.754 125.030 121.223 0.089 0.000 2.530 32 L HA 0.286 4.625 4.340 -0.001 0.000 0.273 32 L C -1.008 175.908 176.870 0.077 0.000 1.141 32 L CA 0.378 55.238 54.840 0.033 0.000 0.905 32 L CB 0.053 42.116 42.059 0.008 0.000 1.202 32 L HN 0.621 nan 8.230 nan 0.000 0.473 33 I N 5.963 126.535 120.570 0.003 0.000 2.411 33 I HA 0.368 4.538 4.170 -0.001 0.000 0.284 33 I C -0.469 175.582 176.117 -0.111 0.000 1.012 33 I CA -0.535 60.797 61.300 0.053 0.000 1.119 33 I CB 1.632 39.678 38.000 0.076 0.000 1.261 33 I HN 0.251 nan 8.210 nan 0.000 0.448 34 V N 6.658 126.457 119.914 -0.192 0.000 2.881 34 V HA 0.560 4.680 4.120 -0.001 0.000 0.316 34 V C -0.007 176.021 176.094 -0.110 0.000 1.070 34 V CA -0.655 61.350 62.300 -0.491 0.000 0.976 34 V CB 2.612 33.824 31.823 -1.018 0.000 1.038 34 V HN 0.650 nan 8.190 nan 0.000 0.446 35 R N 2.080 122.626 120.500 0.076 0.000 2.664 35 R HA 0.539 4.878 4.340 -0.001 0.000 0.286 35 R C -0.382 176.042 176.300 0.206 0.000 0.967 35 R CA -0.872 55.375 56.100 0.246 0.000 0.933 35 R CB 1.806 32.322 30.300 0.360 0.000 1.146 35 R HN 0.778 nan 8.270 nan 0.000 0.468 36 R N 0.009 120.602 120.500 0.155 0.000 2.641 36 R HA 0.263 4.602 4.340 -0.001 0.000 0.269 36 R C 0.450 176.789 176.300 0.065 0.000 1.074 36 R CA 0.583 56.722 56.100 0.067 0.000 1.133 36 R CB 0.364 30.691 30.300 0.046 0.000 1.029 36 R HN 0.800 nan 8.270 nan 0.000 0.488 37 G N 0.242 109.023 108.800 -0.032 0.000 2.179 37 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.260 37 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.260 37 G C -0.041 174.869 174.900 0.017 0.000 0.977 37 G CA 0.696 45.788 45.100 -0.012 0.000 0.641 37 G HN 0.750 nan 8.290 nan 0.000 0.533 38 Q N 0.882 120.713 119.800 0.052 0.000 2.330 38 Q HA 0.555 4.894 4.340 -0.001 0.000 0.269 38 Q C -2.548 173.520 176.000 0.113 0.000 1.022 38 Q CA -2.345 53.492 55.803 0.057 0.000 0.796 38 Q CB 2.805 31.552 28.738 0.016 0.000 1.271 38 Q HN 0.241 nan 8.270 nan 0.000 0.450 39 P HA 0.153 nan 4.420 nan 0.000 0.272 39 P C -1.171 176.160 177.300 0.051 0.000 1.230 39 P CA 0.019 62.958 63.100 -0.269 0.000 0.788 39 P CB 0.316 31.603 31.700 -0.688 0.000 0.949 40 F N -1.837 117.979 119.950 -0.224 0.000 2.588 40 F HA 0.685 5.212 4.527 -0.001 0.000 0.310 40 F C -0.863 174.831 175.800 -0.177 0.000 1.082 40 F CA -1.143 56.779 58.000 -0.130 0.000 0.929 40 F CB 1.180 40.033 39.000 -0.245 0.000 1.254 40 F HN 0.067 nan 8.300 nan 0.000 0.455 41 S N 3.471 119.174 115.700 0.005 0.000 2.478 41 S HA 0.810 5.279 4.470 -0.001 0.000 0.312 41 S C -0.496 174.107 174.600 0.006 0.000 1.094 41 S CA -0.642 57.521 58.200 -0.061 0.000 1.081 41 S CB 1.264 64.439 63.200 -0.041 0.000 1.007 41 S HN 0.797 nan 8.310 nan 0.000 0.475 42 I N -0.015 120.541 120.570 -0.022 0.000 3.108 42 I HA 0.879 5.049 4.170 -0.001 0.000 0.312 42 I C -0.493 175.622 176.117 -0.002 0.000 1.095 42 I CA -0.859 60.447 61.300 0.011 0.000 1.000 42 I CB 2.431 40.444 38.000 0.022 0.000 1.229 42 I HN 0.556 nan 8.210 nan 0.000 0.454 43 T N 1.099 115.658 114.554 0.009 0.000 2.907 43 T HA 0.602 4.951 4.350 -0.001 0.000 0.292 43 T C -0.645 174.058 174.700 0.006 0.000 1.043 43 T CA -0.776 61.329 62.100 0.008 0.000 1.003 43 T CB 1.858 70.735 68.868 0.014 0.000 1.084 43 T HN 0.569 nan 8.240 nan 0.000 0.483 44 L N 2.263 123.489 121.223 0.005 0.000 2.277 44 L HA 0.378 4.718 4.340 -0.001 0.000 0.284 44 L C 0.322 177.197 176.870 0.009 0.000 1.028 44 L CA -0.601 54.240 54.840 0.003 0.000 0.835 44 L CB 1.572 43.630 42.059 -0.001 0.000 1.215 44 L HN 0.732 nan 8.230 nan 0.000 0.425 45 Q N 2.800 122.606 119.800 0.010 0.000 2.307 45 Q HA 0.220 4.560 4.340 -0.001 0.000 0.259 45 Q C -0.934 175.072 176.000 0.011 0.000 0.998 45 Q CA -0.280 55.530 55.803 0.011 0.000 0.923 45 Q CB 1.124 29.869 28.738 0.012 0.000 1.196 45 Q HN 0.658 nan 8.270 nan 0.000 0.416 46 C N 1.578 120.885 119.300 0.012 0.000 2.358 46 C HA 0.302 4.761 4.460 -0.001 0.000 0.354 46 C C 1.871 176.868 174.990 0.011 0.000 1.183 46 C CA -0.402 58.623 59.018 0.012 0.000 2.150 46 C CB 1.371 29.120 27.740 0.015 0.000 2.361 46 C HN 0.977 nan 8.230 nan 0.000 0.535 47 S N 0.062 115.768 115.700 0.012 0.000 2.470 47 S HA -0.010 4.459 4.470 -0.001 0.000 0.222 47 S C 0.635 175.241 174.600 0.010 0.000 1.024 47 S CA 1.217 59.423 58.200 0.010 0.000 0.931 47 S CB -0.070 63.136 63.200 0.010 0.000 0.791 47 S HN 0.939 nan 8.310 nan 0.000 0.513 48 D N -0.248 120.159 120.400 0.011 0.000 2.429 48 D HA 0.278 4.917 4.640 -0.001 0.000 0.108 48 D C -0.497 175.809 176.300 0.011 0.000 1.418 48 D CA 0.034 54.039 54.000 0.009 0.000 1.442 48 D CB 0.345 41.148 40.800 0.006 0.000 2.234 48 D HN 0.192 nan 8.370 nan 0.000 0.196 49 S N -0.643 115.064 115.700 0.011 0.000 2.547 49 S HA 0.430 4.900 4.470 -0.001 0.000 0.270 49 S C -1.147 173.464 174.600 0.018 0.000 1.150 49 S CA -0.725 57.483 58.200 0.013 0.000 0.850 49 S CB 1.413 64.616 63.200 0.005 0.000 1.118 49 S HN 0.372 nan 8.310 nan 0.000 0.461 50 L N 3.577 124.818 121.223 0.031 0.000 2.597 50 L HA 0.198 4.538 4.340 -0.001 0.000 0.271 50 L C -2.154 174.726 176.870 0.017 0.000 1.157 50 L CA -1.214 53.658 54.840 0.053 0.000 0.928 50 L CB 0.356 42.460 42.059 0.075 0.000 1.216 50 L HN 0.405 nan 8.230 nan 0.000 0.481 51 P HA -0.019 nan 4.420 nan 0.000 0.258 51 P C -1.834 175.331 177.300 -0.226 0.000 1.172 51 P CA -0.738 62.225 63.100 -0.228 0.000 0.762 51 P CB 0.136 31.512 31.700 -0.541 0.000 0.764 52 P HA -0.294 nan 4.420 nan 0.000 0.228 52 P C 0.509 177.799 177.300 -0.017 0.000 0.798 52 P CA 2.098 65.155 63.100 -0.072 0.000 1.070 52 P CB -0.296 31.355 31.700 -0.081 0.000 0.714 53 K N -2.143 118.248 120.400 -0.015 0.000 2.596 53 K HA 0.057 4.377 4.320 -0.001 0.000 0.211 53 K C 0.090 176.864 176.600 0.290 0.000 1.046 53 K CA -0.101 56.245 56.287 0.098 0.000 1.202 53 K CB -0.354 32.193 32.500 0.078 0.000 0.925 53 K HN 0.384 nan 8.250 nan 0.000 0.486 54 H N 0.827 119.930 119.070 0.053 0.000 2.463 54 H HA 0.220 4.776 4.556 -0.001 0.000 0.332 54 H C 0.146 175.561 175.328 0.145 0.000 1.127 54 H CA -0.708 55.387 56.048 0.079 0.000 1.238 54 H CB 0.740 30.514 29.762 0.020 0.000 1.478 54 H HN 0.203 nan 8.280 nan 0.000 0.499 55 H N 1.648 120.763 119.070 0.075 0.000 2.946 55 H HA 0.420 4.976 4.556 -0.001 0.000 0.365 55 H C -1.111 174.251 175.328 0.056 0.000 1.197 55 H CA -0.990 55.099 56.048 0.068 0.000 1.131 55 H CB 0.714 30.510 29.762 0.057 0.000 1.849 55 H HN 0.403 nan 8.280 nan 0.000 0.555 56 L N 0.969 122.146 121.223 -0.078 0.000 2.375 56 L HA 0.358 4.697 4.340 -0.001 0.000 0.271 56 L C -0.001 176.793 176.870 -0.126 0.000 1.107 56 L CA -0.339 54.431 54.840 -0.116 0.000 0.806 56 L CB 1.077 43.163 42.059 0.044 0.000 1.146 56 L HN 0.638 nan 8.230 nan 0.000 0.447 57 E N 1.937 122.032 120.200 -0.175 0.000 2.292 57 E HA 0.615 4.964 4.350 -0.001 0.000 0.272 57 E C -1.757 174.746 176.600 -0.160 0.000 0.881 57 E CA -0.511 55.833 56.400 -0.093 0.000 0.754 57 E CB 1.933 31.555 29.700 -0.130 0.000 1.201 57 E HN 0.236 nan 8.360 nan 0.000 0.425 58 L N 3.552 124.676 121.223 -0.165 0.000 2.381 58 L HA 0.648 4.988 4.340 -0.001 0.000 0.274 58 L C -1.235 175.537 176.870 -0.163 0.000 0.988 58 L CA -0.902 53.782 54.840 -0.260 0.000 0.824 58 L CB 1.928 43.663 42.059 -0.539 0.000 1.263 58 L HN 0.421 nan 8.230 nan 0.000 0.410 59 V N 5.130 124.944 119.914 -0.167 0.000 2.709 59 V HA 0.653 4.773 4.120 -0.001 0.000 0.308 59 V C -1.119 174.768 176.094 -0.344 0.000 1.062 59 V CA -0.516 61.646 62.300 -0.229 0.000 0.901 59 V CB 2.067 33.777 31.823 -0.188 0.000 1.003 59 V HN 0.591 nan 8.190 nan 0.000 0.425 60 L N 6.564 127.517 121.223 -0.450 0.000 2.343 60 L HA 0.700 5.039 4.340 -0.001 0.000 0.275 60 L C -0.398 176.115 176.870 -0.594 0.000 1.056 60 L CA -0.592 53.996 54.840 -0.421 0.000 0.804 60 L CB 1.433 43.229 42.059 -0.437 0.000 1.203 60 L HN 0.668 nan 8.230 nan 0.000 0.440 61 H N 4.165 123.164 119.070 -0.119 0.000 2.589 61 H HA 0.503 5.058 4.556 -0.001 0.000 0.351 61 H C -1.009 174.165 175.328 -0.258 0.000 1.074 61 H CA -0.574 55.380 56.048 -0.156 0.000 1.203 61 H CB 2.734 32.403 29.762 -0.154 0.000 1.558 61 H HN 0.351 nan 8.280 nan 0.000 0.522 62 L N 1.602 122.712 121.223 -0.189 0.000 2.386 62 L HA 0.557 4.896 4.340 -0.001 0.000 0.271 62 L C 0.081 176.828 176.870 -0.205 0.000 0.993 62 L CA -0.303 54.322 54.840 -0.358 0.000 0.819 62 L CB 1.968 43.745 42.059 -0.471 0.000 1.294 62 L HN 0.997 nan 8.230 nan 0.000 0.414 63 G N 2.616 111.293 108.800 -0.206 0.000 2.712 63 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.686 63 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.686 63 G C -0.174 174.672 174.900 -0.092 0.000 1.181 63 G CA -0.615 44.416 45.100 -0.114 0.000 0.762 63 G HN 0.680 nan 8.290 nan 0.000 0.641 64 K N 0.052 120.417 120.400 -0.058 0.000 2.442 64 K HA 0.051 4.370 4.320 -0.001 0.000 0.198 64 K C 1.931 178.503 176.600 -0.046 0.000 1.044 64 K CA 1.216 57.475 56.287 -0.046 0.000 0.948 64 K CB -0.007 32.480 32.500 -0.021 0.000 0.762 64 K HN 0.478 nan 8.250 nan 0.000 0.472 65 R N -0.154 120.321 120.500 -0.042 0.000 2.661 65 R HA 0.069 4.409 4.340 -0.001 0.000 0.429 65 R C -1.018 175.264 176.300 -0.031 0.000 1.044 65 R CA -0.100 55.978 56.100 -0.035 0.000 1.065 65 R CB 0.484 30.770 30.300 -0.022 0.000 1.377 65 R HN 0.050 nan 8.270 nan 0.000 0.600 66 D N 0.769 121.147 120.400 -0.037 0.000 2.811 66 D HA -0.184 4.456 4.640 -0.001 0.000 0.231 66 D C 0.550 176.846 176.300 -0.007 0.000 1.157 66 D CA 1.078 55.075 54.000 -0.005 0.000 0.716 66 D CB -0.483 40.332 40.800 0.026 0.000 1.077 66 D HN 0.355 nan 8.370 nan 0.000 0.428 67 E N -0.856 119.331 120.200 -0.023 0.000 2.187 67 E HA -0.091 4.258 4.350 -0.001 0.000 0.199 67 E C 0.545 177.136 176.600 -0.015 0.000 1.004 67 E CA 1.066 57.458 56.400 -0.015 0.000 0.813 67 E CB 0.311 30.001 29.700 -0.016 0.000 0.736 67 E HN 0.303 nan 8.360 nan 0.000 0.468 68 V N 0.185 120.078 119.914 -0.035 0.000 2.733 68 V HA 0.327 4.446 4.120 -0.001 0.000 0.306 68 V C -0.938 175.120 176.094 -0.059 0.000 1.084 68 V CA -0.888 61.390 62.300 -0.037 0.000 0.905 68 V CB 2.366 34.166 31.823 -0.039 0.000 1.010 68 V HN -0.248 nan 8.190 nan 0.000 0.424 69 V N 5.967 125.844 119.914 -0.062 0.000 2.531 69 V HA 0.568 4.687 4.120 -0.001 0.000 0.301 69 V C -0.533 175.475 176.094 -0.142 0.000 1.034 69 V CA -0.399 61.812 62.300 -0.149 0.000 0.865 69 V CB 1.954 33.709 31.823 -0.113 0.000 0.995 69 V HN 0.712 nan 8.190 nan 0.000 0.424 70 I N 4.297 124.740 120.570 -0.212 0.000 2.378 70 I HA 0.456 4.625 4.170 -0.001 0.000 0.291 70 I C 0.012 176.013 176.117 -0.193 0.000 0.992 70 I CA -0.637 60.564 61.300 -0.165 0.000 1.154 70 I CB 1.748 39.617 38.000 -0.219 0.000 1.315 70 I HN 0.453 nan 8.210 nan 0.000 0.448 71 K N 5.538 125.887 120.400 -0.086 0.000 2.267 71 K HA 0.393 4.713 4.320 -0.001 0.000 0.282 71 K C -0.756 175.860 176.600 0.027 0.000 1.078 71 K CA -0.542 55.717 56.287 -0.047 0.000 0.903 71 K CB 1.449 33.951 32.500 0.003 0.000 1.111 71 K HN 0.332 nan 8.250 nan 0.000 0.475 72 V N 4.479 124.407 119.914 0.023 0.000 2.521 72 V HA -0.033 4.086 4.120 -0.001 0.000 0.286 72 V C 0.662 176.960 176.094 0.341 0.000 1.034 72 V CA -0.281 62.130 62.300 0.184 0.000 1.045 72 V CB 0.576 32.474 31.823 0.124 0.000 0.974 72 V HN 0.740 nan 8.190 nan 0.000 0.480 73 Q N 3.035 123.053 119.800 0.364 0.000 2.469 73 Q HA -0.043 4.297 4.340 -0.001 0.000 0.279 73 Q C 0.893 177.066 176.000 0.290 0.000 1.097 73 Q CA 0.078 56.062 55.803 0.301 0.000 0.951 73 Q CB 0.582 29.476 28.738 0.261 0.000 1.297 73 Q HN 0.516 nan 8.270 nan 0.000 0.465 74 K N 0.462 120.909 120.400 0.078 0.000 2.305 74 K HA -0.001 4.319 4.320 -0.001 0.000 0.199 74 K C 0.243 176.651 176.600 -0.320 0.000 1.047 74 K CA 1.016 57.175 56.287 -0.213 0.000 0.976 74 K CB 0.517 32.957 32.500 -0.101 0.000 0.765 74 K HN 0.441 nan 8.250 nan 0.000 0.474 75 E N -1.855 118.237 120.200 -0.179 0.000 1.436 75 E HA 0.019 4.368 4.350 -0.001 0.000 0.165 75 E C -0.986 175.227 176.600 -0.646 0.000 1.982 75 E CA -0.588 55.608 56.400 -0.340 0.000 1.184 75 E CB 0.049 29.463 29.700 -0.476 0.000 1.515 75 E HN 0.133 nan 8.360 nan 0.000 0.712 76 H N 0.693 119.315 119.070 -0.747 0.000 3.989 76 H HA -0.044 4.511 4.556 -0.001 0.000 0.221 76 H C 0.643 175.564 175.328 -0.678 0.000 0.545 76 H CA 0.369 55.953 56.048 -0.773 0.000 1.260 76 H CB -0.695 28.818 29.762 -0.415 0.000 1.413 76 H HN 0.317 nan 8.280 nan 0.000 0.838 77 G N 0.982 109.226 108.800 -0.927 0.000 2.557 77 G HA2 0.534 4.493 3.960 -0.001 0.000 0.292 77 G HA3 0.534 4.493 3.960 -0.001 0.000 0.292 77 G C 0.428 175.187 174.900 -0.235 0.000 1.237 77 G CA -0.280 44.562 45.100 -0.429 0.000 0.978 77 G HN 0.603 nan 8.290 nan 0.000 0.498 78 A N -0.531 122.262 122.820 -0.045 0.000 2.394 78 A HA 0.354 4.674 4.320 -0.001 0.000 0.256 78 A C 1.753 179.352 177.584 0.025 0.000 1.700 78 A CA 0.690 52.723 52.037 -0.007 0.000 0.887 78 A CB 0.079 19.104 19.000 0.041 0.000 1.487 78 A HN 0.617 nan 8.150 nan 0.000 0.641 79 R N -1.581 118.950 120.500 0.052 0.000 2.310 79 R HA 0.033 4.373 4.340 -0.001 0.000 0.199 79 R C 0.401 176.752 176.300 0.085 0.000 0.891 79 R CA 0.707 56.849 56.100 0.070 0.000 1.060 79 R CB 0.212 30.533 30.300 0.035 0.000 1.188 79 R HN 0.877 nan 8.270 nan 0.000 0.607 80 D N 0.246 120.693 120.400 0.078 0.000 2.388 80 D HA 0.017 4.657 4.640 -0.001 0.000 0.221 80 D C -0.201 176.172 176.300 0.121 0.000 1.133 80 D CA 0.044 54.090 54.000 0.078 0.000 0.831 80 D CB 0.397 41.237 40.800 0.067 0.000 0.962 80 D HN -0.249 nan 8.370 nan 0.000 0.502 81 K N 0.557 121.056 120.400 0.165 0.000 2.182 81 K HA 0.233 4.552 4.320 -0.001 0.000 0.262 81 K C -0.628 176.193 176.600 0.368 0.000 0.957 81 K CA -0.668 55.770 56.287 0.252 0.000 0.842 81 K CB 1.058 33.687 32.500 0.215 0.000 1.099 81 K HN 0.036 nan 8.250 nan 0.000 0.438 82 W N 4.441 125.872 121.300 0.217 0.000 2.170 82 W HA 0.227 4.887 4.660 -0.001 0.000 0.336 82 W C 0.320 177.042 176.519 0.340 0.000 1.283 82 W CA 0.378 57.842 57.345 0.198 0.000 1.224 82 W CB 0.533 30.063 29.460 0.117 0.000 1.132 82 W HN 0.457 nan 8.180 nan 0.000 0.571 83 W N 4.281 125.817 121.300 0.392 0.000 3.059 83 W HA 0.537 5.197 4.660 -0.001 0.000 0.329 83 W C -2.221 174.520 176.519 0.370 0.000 1.246 83 W CA -2.028 55.500 57.345 0.305 0.000 1.190 83 W CB 0.004 29.541 29.460 0.127 0.000 1.423 83 W HN 0.486 nan 8.180 nan 0.000 0.571 84 F N 1.252 121.403 119.950 0.335 0.000 2.603 84 F HA 0.635 5.162 4.527 -0.001 0.000 0.317 84 F C -1.061 174.906 175.800 0.278 0.000 1.066 84 F CA -1.109 56.945 58.000 0.090 0.000 0.941 84 F CB 2.026 41.023 39.000 -0.004 0.000 1.291 84 F HN 0.420 nan 8.300 nan 0.000 0.472 85 N N 2.206 121.012 118.700 0.176 0.000 2.284 85 N HA 0.261 5.000 4.740 -0.001 0.000 0.300 85 N C -2.061 173.535 175.510 0.143 0.000 1.047 85 N CA -0.332 52.778 53.050 0.101 0.000 0.821 85 N CB 2.455 41.079 38.487 0.228 0.000 1.337 85 N HN 0.998 nan 8.380 nan 0.000 0.482 86 Q N 2.285 122.130 119.800 0.075 0.000 2.337 86 Q HA 0.331 4.670 4.340 -0.001 0.000 0.266 86 Q C -1.578 174.472 176.000 0.084 0.000 1.023 86 Q CA -0.565 55.334 55.803 0.161 0.000 0.829 86 Q CB 1.516 30.405 28.738 0.251 0.000 1.306 86 Q HN 0.726 nan 8.270 nan 0.000 0.449 87 Q N 1.596 121.442 119.800 0.076 0.000 2.353 87 Q HA 0.612 4.952 4.340 -0.001 0.000 0.275 87 Q C -1.054 174.973 176.000 0.044 0.000 1.029 87 Q CA -1.114 54.720 55.803 0.051 0.000 0.848 87 Q CB 1.501 30.264 28.738 0.041 0.000 1.390 87 Q HN 0.694 nan 8.270 nan 0.000 0.401 88 G N 0.345 109.166 108.800 0.037 0.000 2.415 88 G HA2 0.520 4.480 3.960 -0.001 0.000 0.269 88 G HA3 0.520 4.480 3.960 -0.001 0.000 0.269 88 G C -0.145 174.770 174.900 0.025 0.000 1.209 88 G CA 0.113 45.232 45.100 0.031 0.000 0.835 88 G HN 0.797 nan 8.290 nan 0.000 0.534 89 A N 1.467 124.301 122.820 0.022 0.000 2.930 89 A HA 0.492 4.812 4.320 -0.001 0.000 0.213 89 A C 1.668 179.261 177.584 0.015 0.000 2.276 89 A CA 0.488 52.536 52.037 0.018 0.000 1.182 89 A CB -0.072 18.938 19.000 0.017 0.000 1.301 89 A HN 0.509 nan 8.150 nan 0.000 0.481 90 Q N -0.563 119.245 119.800 0.014 0.000 2.345 90 Q HA 0.108 4.447 4.340 -0.001 0.000 0.176 90 Q C 0.280 176.288 176.000 0.013 0.000 0.723 90 Q CA 1.009 56.819 55.803 0.012 0.000 0.743 90 Q CB -0.526 28.218 28.738 0.010 0.000 1.260 90 Q HN 0.721 nan 8.270 nan 0.000 0.535 91 D N 0.937 121.344 120.400 0.012 0.000 2.358 91 D HA 0.044 4.684 4.640 -0.001 0.000 0.224 91 D C -0.055 176.253 176.300 0.014 0.000 1.123 91 D CA 0.049 54.057 54.000 0.012 0.000 0.833 91 D CB 0.163 40.969 40.800 0.010 0.000 0.946 91 D HN 0.364 nan 8.370 nan 0.000 0.505 92 E N 0.009 120.219 120.200 0.015 0.000 2.369 92 E HA 0.556 4.906 4.350 -0.001 0.000 0.270 92 E C -0.795 175.818 176.600 0.021 0.000 0.909 92 E CA -1.071 55.339 56.400 0.016 0.000 0.775 92 E CB 1.966 31.675 29.700 0.015 0.000 1.270 92 E HN -0.077 nan 8.360 nan 0.000 0.445 93 I N 2.003 122.586 120.570 0.023 0.000 2.339 93 I HA 0.207 4.376 4.170 -0.001 0.000 0.290 93 I C -0.165 175.969 176.117 0.029 0.000 0.994 93 I CA -0.985 60.334 61.300 0.032 0.000 1.191 93 I CB 1.426 39.450 38.000 0.040 0.000 1.343 93 I HN 0.388 nan 8.210 nan 0.000 0.458 94 L N 7.174 128.417 121.223 0.033 0.000 2.278 94 L HA 0.328 4.668 4.340 -0.001 0.000 0.287 94 L C -1.090 175.803 176.870 0.039 0.000 1.072 94 L CA -0.534 54.321 54.840 0.025 0.000 0.819 94 L CB 0.957 43.029 42.059 0.022 0.000 1.176 94 L HN 0.418 nan 8.230 nan 0.000 0.435 95 L N 4.790 126.021 121.223 0.013 0.000 2.316 95 L HA 0.375 4.714 4.340 -0.001 0.000 0.280 95 L C 0.087 176.916 176.870 -0.069 0.000 1.006 95 L CA -0.122 54.734 54.840 0.026 0.000 0.836 95 L CB 1.616 43.650 42.059 -0.041 0.000 1.221 95 L HN 0.463 nan 8.230 nan 0.000 0.418 96 T N 5.003 119.520 114.554 -0.061 0.000 2.738 96 T HA 0.461 4.811 4.350 -0.001 0.000 0.298 96 T C 0.158 174.615 174.700 -0.405 0.000 0.962 96 T CA -0.461 61.485 62.100 -0.257 0.000 0.972 96 T CB 0.626 69.367 68.868 -0.212 0.000 0.928 96 T HN 0.145 nan 8.240 nan 0.000 0.474 97 L N 4.580 125.360 121.223 -0.739 0.000 2.305 97 L HA 0.341 4.681 4.340 -0.001 0.000 0.281 97 L C 0.414 176.723 176.870 -0.935 0.000 1.085 97 L CA -0.299 54.068 54.840 -0.790 0.000 0.813 97 L CB 0.602 41.916 42.059 -1.241 0.000 1.157 97 L HN 0.614 nan 8.230 nan 0.000 0.436 98 H N 1.980 120.637 119.070 -0.688 0.000 2.511 98 H HA 0.297 4.853 4.556 -0.001 0.000 0.328 98 H C -0.123 174.816 175.328 -0.648 0.000 1.044 98 H CA -0.303 55.271 56.048 -0.789 0.000 1.212 98 H CB 2.064 30.895 29.762 -1.551 0.000 1.428 98 H HN 0.582 nan 8.280 nan 0.000 0.483 99 S N 4.312 119.638 115.700 -0.624 0.000 2.537 99 S HA 0.527 4.997 4.470 -0.001 0.000 0.301 99 S C -2.786 171.440 174.600 -0.623 0.000 1.092 99 S CA -1.650 55.824 58.200 -1.209 0.000 1.048 99 S CB 2.598 64.885 63.200 -1.521 0.000 1.053 99 S HN 0.333 nan 8.310 nan 0.000 0.501 100 P HA 0.250 nan 4.420 nan 0.000 0.272 100 P C 0.339 177.555 177.300 -0.140 0.000 1.240 100 P CA -0.423 62.556 63.100 -0.201 0.000 0.791 100 P CB 0.588 32.229 31.700 -0.098 0.000 0.978 101 A N 1.729 124.529 122.820 -0.033 0.000 2.235 101 A HA -0.088 4.232 4.320 -0.001 0.000 0.208 101 A C 1.123 178.745 177.584 0.063 0.000 1.172 101 A CA 0.666 52.715 52.037 0.020 0.000 0.786 101 A CB -1.150 17.872 19.000 0.035 0.000 0.804 101 A HN 0.675 nan 8.150 nan 0.000 0.479 102 N N -0.100 118.630 118.700 0.051 0.000 2.238 102 N HA 0.338 5.077 4.740 -0.001 0.000 0.222 102 N C 0.245 175.816 175.510 0.102 0.000 1.133 102 N CA 0.351 53.456 53.050 0.093 0.000 0.854 102 N CB -0.506 38.032 38.487 0.085 0.000 1.041 102 N HN 0.220 nan 8.380 nan 0.000 0.510 103 A N 0.422 123.282 122.820 0.067 0.000 2.520 103 A HA 0.287 4.607 4.320 -0.001 0.000 0.235 103 A C 0.262 177.969 177.584 0.206 0.000 1.065 103 A CA -0.314 51.812 52.037 0.148 0.000 0.764 103 A CB 0.246 19.266 19.000 0.033 0.000 1.002 103 A HN 0.132 nan 8.150 nan 0.000 0.502 104 V N 4.112 124.219 119.914 0.322 0.000 2.521 104 V HA 0.140 4.259 4.120 -0.001 0.000 0.286 104 V C 0.713 176.969 176.094 0.270 0.000 1.034 104 V CA 0.243 62.686 62.300 0.237 0.000 1.045 104 V CB 0.029 31.971 31.823 0.198 0.000 0.974 104 V HN 0.709 nan 8.190 nan 0.000 0.480 105 I N 2.982 123.619 120.570 0.111 0.000 2.696 105 I HA 0.834 5.003 4.170 -0.001 0.000 0.284 105 I C 0.595 176.798 176.117 0.144 0.000 1.129 105 I CA 0.481 61.878 61.300 0.161 0.000 1.410 105 I CB 0.725 38.731 38.000 0.010 0.000 1.399 105 I HN 0.756 nan 8.210 nan 0.000 0.579 106 G N 3.178 111.963 108.800 -0.025 0.000 2.359 106 G HA2 0.066 4.025 3.960 -0.001 0.000 0.293 106 G HA3 0.066 4.025 3.960 -0.001 0.000 0.293 106 G C -1.870 172.684 174.900 -0.577 0.000 1.300 106 G CA -0.840 43.920 45.100 -0.567 0.000 0.888 106 G HN 1.021 nan 8.290 nan 0.000 0.541 107 H N 0.369 118.960 119.070 -0.798 0.000 2.690 107 H HA 0.549 5.105 4.556 -0.001 0.000 0.289 107 H C -0.689 174.218 175.328 -0.703 0.000 1.089 107 H CA -0.407 55.151 56.048 -0.817 0.000 1.299 107 H CB 0.335 29.651 29.762 -0.743 0.000 1.405 107 H HN 0.354 nan 8.280 nan 0.000 0.463 108 Y N 3.291 123.033 120.300 -0.929 0.000 2.354 108 Y HA 0.297 4.846 4.550 -0.001 0.000 0.322 108 Y C 0.295 175.620 175.900 -0.959 0.000 1.253 108 Y CA -0.549 56.977 58.100 -0.958 0.000 1.272 108 Y CB 1.028 38.700 38.460 -1.314 0.000 1.255 108 Y HN 0.548 nan 8.280 nan 0.000 0.500 109 R N 1.930 122.189 120.500 -0.402 0.000 2.476 109 R HA 0.405 4.744 4.340 -0.001 0.000 0.305 109 R C -1.641 174.623 176.300 -0.060 0.000 0.965 109 R CA -0.450 55.489 56.100 -0.269 0.000 0.867 109 R CB 1.102 31.264 30.300 -0.230 0.000 1.176 109 R HN 0.600 nan 8.270 nan 0.000 0.447 110 L N 2.804 124.031 121.223 0.006 0.000 2.264 110 L HA 0.627 4.967 4.340 -0.001 0.000 0.289 110 L C -0.647 176.247 176.870 0.041 0.000 1.044 110 L CA -0.440 54.440 54.840 0.067 0.000 0.807 110 L CB 1.388 43.547 42.059 0.166 0.000 1.192 110 L HN 0.764 nan 8.230 nan 0.000 0.425 111 A N 5.791 128.637 122.820 0.042 0.000 2.273 111 A HA 0.523 4.843 4.320 -0.001 0.000 0.320 111 A C -0.603 176.953 177.584 -0.047 0.000 1.358 111 A CA -0.452 51.599 52.037 0.024 0.000 0.910 111 A CB 0.850 19.921 19.000 0.117 0.000 1.159 111 A HN 0.450 nan 8.150 nan 0.000 0.526 112 V N 4.661 124.534 119.914 -0.070 0.000 2.368 112 V HA 0.225 4.344 4.120 -0.001 0.000 0.266 112 V C -0.437 175.600 176.094 -0.095 0.000 1.045 112 V CA -0.371 61.858 62.300 -0.118 0.000 0.899 112 V CB 0.705 32.455 31.823 -0.123 0.000 1.006 112 V HN 0.662 nan 8.190 nan 0.000 0.470 113 L N 6.300 127.455 121.223 -0.112 0.000 2.309 113 L HA 0.547 4.886 4.340 -0.001 0.000 0.282 113 L C 0.040 176.819 176.870 -0.151 0.000 1.036 113 L CA -0.402 54.374 54.840 -0.107 0.000 0.806 113 L CB 1.629 43.630 42.059 -0.097 0.000 1.220 113 L HN 0.315 nan 8.230 nan 0.000 0.429 114 V N 4.833 124.666 119.914 -0.136 0.000 2.394 114 V HA 0.566 4.685 4.120 -0.001 0.000 0.282 114 V C 0.238 176.187 176.094 -0.241 0.000 1.031 114 V CA -0.359 61.843 62.300 -0.163 0.000 0.881 114 V CB 1.500 33.276 31.823 -0.078 0.000 0.982 114 V HN 0.748 nan 8.190 nan 0.000 0.451 115 M N 2.673 122.065 119.600 -0.347 0.000 2.572 115 M HA 0.430 4.909 4.480 -0.001 0.000 0.299 115 M C 0.042 176.017 176.300 -0.541 0.000 1.205 115 M CA -0.373 54.691 55.300 -0.392 0.000 0.876 115 M CB 2.363 34.816 32.600 -0.245 0.000 1.728 115 M HN 0.571 nan 8.290 nan 0.000 0.458 116 S N 1.811 117.081 115.700 -0.716 0.000 2.573 116 S HA 0.228 4.697 4.470 -0.001 0.000 0.277 116 S C -1.584 172.912 174.600 -0.173 0.000 1.346 116 S CA -1.116 56.692 58.200 -0.654 0.000 1.034 116 S CB 0.498 63.143 63.200 -0.925 0.000 0.879 116 S HN 0.529 nan 8.310 nan 0.000 0.528 117 P HA -0.034 nan 4.420 nan 0.000 0.234 117 P C 0.558 177.870 177.300 0.020 0.000 1.167 117 P CA 0.684 63.810 63.100 0.044 0.000 0.763 117 P CB -0.099 31.643 31.700 0.071 0.000 0.835 118 D N -0.763 119.651 120.400 0.022 0.000 2.333 118 D HA 0.032 4.671 4.640 -0.001 0.000 0.208 118 D C 1.326 177.668 176.300 0.071 0.000 0.984 118 D CA 1.005 55.043 54.000 0.063 0.000 0.873 118 D CB -0.422 40.454 40.800 0.126 0.000 0.935 118 D HN 0.225 nan 8.370 nan 0.000 0.521 119 G N 0.921 109.752 108.800 0.052 0.000 2.148 119 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.120 119 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.120 119 G C -0.110 174.854 174.900 0.105 0.000 1.034 119 G CA -0.052 45.092 45.100 0.073 0.000 0.710 119 G HN 0.747 nan 8.290 nan 0.000 0.495 120 H N -0.464 118.605 119.070 -0.003 0.000 2.600 120 H HA 0.613 5.169 4.556 -0.001 0.000 0.357 120 H C -0.157 175.135 175.328 -0.060 0.000 1.106 120 H CA -1.364 54.671 56.048 -0.022 0.000 1.193 120 H CB 1.507 31.261 29.762 -0.013 0.000 1.594 120 H HN 0.094 nan 8.280 nan 0.000 0.526 121 I N 4.280 124.884 120.570 0.057 0.000 2.671 121 I HA -0.140 4.029 4.170 -0.001 0.000 0.285 121 I C 1.095 177.224 176.117 0.019 0.000 1.148 121 I CA 0.008 61.296 61.300 -0.021 0.000 1.386 121 I CB 0.902 38.903 38.000 0.002 0.000 1.406 121 I HN 0.460 nan 8.210 nan 0.000 0.540 122 V N 5.586 125.436 119.914 -0.108 0.000 3.506 122 V HA 0.059 4.178 4.120 -0.001 0.000 0.263 122 V C 0.578 176.669 176.094 -0.006 0.000 1.203 122 V CA 0.906 63.176 62.300 -0.051 0.000 1.133 122 V CB -0.461 31.249 31.823 -0.188 0.000 0.802 122 V HN 0.931 nan 8.190 nan 0.000 0.459 123 E N 0.803 120.986 120.200 -0.029 0.000 2.419 123 E HA 0.300 4.650 4.350 -0.001 0.000 0.285 123 E C -1.404 175.178 176.600 -0.031 0.000 1.079 123 E CA -0.839 55.553 56.400 -0.014 0.000 0.864 123 E CB 1.158 30.857 29.700 -0.002 0.000 1.216 123 E HN 0.239 nan 8.360 nan 0.000 0.428 124 R N 2.214 122.700 120.500 -0.023 0.000 2.575 124 R HA 0.813 5.153 4.340 -0.001 0.000 0.293 124 R C -0.827 175.457 176.300 -0.026 0.000 0.983 124 R CA -0.592 55.490 56.100 -0.031 0.000 0.887 124 R CB 1.819 32.102 30.300 -0.029 0.000 1.184 124 R HN 0.414 nan 8.270 nan 0.000 0.445 125 A N 2.326 125.128 122.820 -0.030 0.000 2.313 125 A HA 0.271 4.591 4.320 -0.001 0.000 0.261 125 A C -0.604 176.967 177.584 -0.021 0.000 1.090 125 A CA -0.594 51.429 52.037 -0.023 0.000 0.807 125 A CB 0.059 19.044 19.000 -0.025 0.000 1.055 125 A HN 0.787 nan 8.150 nan 0.000 0.492 126 D N 0.950 121.342 120.400 -0.014 0.000 2.520 126 D HA 0.187 4.826 4.640 -0.001 0.000 0.243 126 D C -0.118 176.175 176.300 -0.012 0.000 1.160 126 D CA 0.673 54.665 54.000 -0.013 0.000 0.877 126 D CB 0.216 41.014 40.800 -0.003 0.000 1.150 126 D HN 0.426 nan 8.370 nan 0.000 0.494 127 K N 2.564 122.950 120.400 -0.024 0.000 2.382 127 K HA 0.161 4.480 4.320 -0.001 0.000 0.286 127 K C -0.176 176.416 176.600 -0.014 0.000 1.062 127 K CA -0.315 55.957 56.287 -0.025 0.000 1.000 127 K CB -0.009 32.454 32.500 -0.061 0.000 0.954 127 K HN 0.516 nan 8.250 nan 0.000 0.470 128 I N 0.815 121.396 120.570 0.018 0.000 2.488 128 I HA 0.409 4.578 4.170 -0.001 0.000 0.299 128 I C 0.008 176.151 176.117 0.043 0.000 0.984 128 I CA -0.499 60.828 61.300 0.045 0.000 1.250 128 I CB 1.929 39.980 38.000 0.085 0.000 1.389 128 I HN 0.411 nan 8.210 nan 0.000 0.488 129 S N 4.789 120.500 115.700 0.019 0.000 2.664 129 S HA 0.902 5.372 4.470 -0.001 0.000 0.304 129 S C -0.634 174.021 174.600 0.092 0.000 1.099 129 S CA -0.570 57.556 58.200 -0.123 0.000 1.003 129 S CB 1.612 64.593 63.200 -0.365 0.000 1.092 129 S HN 0.883 nan 8.310 nan 0.000 0.525 130 F N -1.960 117.958 119.950 -0.053 0.000 2.713 130 F HA 0.719 5.245 4.527 -0.001 0.000 0.311 130 F C -1.265 174.550 175.800 0.025 0.000 1.141 130 F CA -1.206 56.802 58.000 0.013 0.000 0.939 130 F CB 0.579 39.517 39.000 -0.103 0.000 1.325 130 F HN 0.670 nan 8.300 nan 0.000 0.453 131 H N 1.263 120.524 119.070 0.319 0.000 2.529 131 H HA 0.703 5.259 4.556 -0.001 0.000 0.348 131 H C -1.074 174.432 175.328 0.297 0.000 1.152 131 H CA -0.806 55.370 56.048 0.212 0.000 1.202 131 H CB 2.029 31.890 29.762 0.164 0.000 1.562 131 H HN 0.827 nan 8.280 nan 0.000 0.515 132 M N 3.342 123.194 119.600 0.420 0.000 2.253 132 M HA 0.383 4.862 4.480 -0.001 0.000 0.314 132 M C -2.087 174.425 176.300 0.353 0.000 1.019 132 M CA -0.557 54.967 55.300 0.374 0.000 0.932 132 M CB 0.719 33.602 32.600 0.472 0.000 1.606 132 M HN 0.319 nan 8.290 nan 0.000 0.430 133 L N 3.557 124.942 121.223 0.270 0.000 2.299 133 L HA 0.646 4.985 4.340 -0.001 0.000 0.268 133 L C -0.590 176.351 176.870 0.118 0.000 1.012 133 L CA -0.503 54.474 54.840 0.227 0.000 0.816 133 L CB 0.717 42.958 42.059 0.303 0.000 1.355 133 L HN 0.653 nan 8.230 nan 0.000 0.457 134 F N 0.624 120.730 119.950 0.259 0.000 2.450 134 F HA 0.207 4.733 4.527 -0.001 0.000 0.339 134 F C 0.974 176.922 175.800 0.246 0.000 1.146 134 F CA 0.202 58.334 58.000 0.220 0.000 1.267 134 F CB 0.439 39.542 39.000 0.172 0.000 1.178 134 F HN 0.360 nan 8.300 nan 0.000 0.585 135 N N 3.344 122.301 118.700 0.427 0.000 2.746 135 N HA 0.279 5.019 4.740 -0.001 0.000 0.250 135 N C -2.249 173.451 175.510 0.316 0.000 1.146 135 N CA -2.152 51.141 53.050 0.405 0.000 0.828 135 N CB 0.997 39.685 38.487 0.336 0.000 1.158 135 N HN 0.073 nan 8.380 nan 0.000 0.519 136 P HA 0.038 nan 4.420 nan 0.000 0.242 136 P C 0.780 178.054 177.300 -0.044 0.000 1.197 136 P CA 0.594 63.649 63.100 -0.075 0.000 0.765 136 P CB 0.100 31.555 31.700 -0.408 0.000 0.936 137 W N -1.119 120.324 121.300 0.238 0.000 3.114 137 W HA 0.194 4.853 4.660 -0.001 0.000 0.279 137 W C 0.437 177.077 176.519 0.201 0.000 1.277 137 W CA -0.275 57.213 57.345 0.239 0.000 1.630 137 W CB -0.186 29.348 29.460 0.123 0.000 1.087 137 W HN -0.065 nan 8.180 nan 0.000 0.637 138 C N 3.696 123.188 119.300 0.320 0.000 2.303 138 C HA 0.277 4.737 4.460 -0.001 0.000 0.341 138 C C 1.996 176.812 174.990 -0.291 0.000 1.244 138 C CA -0.544 58.508 59.018 0.056 0.000 1.765 138 C CB 0.071 27.870 27.740 0.098 0.000 2.379 138 C HN 0.520 nan 8.230 nan 0.000 0.530 139 R N 2.403 122.515 120.500 -0.647 0.000 2.249 139 R HA -0.063 4.277 4.340 -0.001 0.000 0.230 139 R C 0.462 176.445 176.300 -0.529 0.000 1.121 139 R CA 1.724 57.114 56.100 -1.185 0.000 0.997 139 R CB -0.220 29.623 30.300 -0.761 0.000 0.867 139 R HN 0.640 nan 8.270 nan 0.000 0.465 140 D N 0.431 120.694 120.400 -0.228 0.000 2.360 140 D HA 0.010 4.649 4.640 -0.001 0.000 0.210 140 D C -0.270 176.033 176.300 0.005 0.000 1.047 140 D CA 0.287 54.241 54.000 -0.078 0.000 0.854 140 D CB -0.066 40.713 40.800 -0.035 0.000 0.936 140 D HN 0.174 nan 8.370 nan 0.000 0.514 141 D N 0.330 120.750 120.400 0.033 0.000 2.345 141 D HA 0.071 4.710 4.640 -0.001 0.000 0.247 141 D C 1.301 177.702 176.300 0.169 0.000 1.108 141 D CA -0.160 53.921 54.000 0.134 0.000 0.894 141 D CB 1.224 42.140 40.800 0.193 0.000 1.203 141 D HN -0.101 nan 8.370 nan 0.000 0.430 142 M N 2.335 122.031 119.600 0.160 0.000 2.279 142 M HA -0.145 4.335 4.480 -0.001 0.000 0.264 142 M C 1.667 178.039 176.300 0.119 0.000 1.062 142 M CA 0.861 56.233 55.300 0.121 0.000 1.099 142 M CB 0.161 32.816 32.600 0.091 0.000 1.394 142 M HN 0.393 nan 8.290 nan 0.000 0.426 143 V N -3.193 116.810 119.914 0.149 0.000 3.646 143 V HA 0.002 4.122 4.120 -0.001 0.000 0.277 143 V C 0.437 176.670 176.094 0.231 0.000 1.274 143 V CA -0.407 61.975 62.300 0.137 0.000 1.164 143 V CB -1.903 29.938 31.823 0.030 0.000 0.926 143 V HN 0.263 nan 8.190 nan 0.000 0.442 144 Y N 1.849 122.208 120.300 0.098 0.000 2.805 144 Y HA 0.314 4.863 4.550 -0.001 0.000 0.331 144 Y C -0.087 175.822 175.900 0.014 0.000 1.241 144 Y CA -0.643 57.480 58.100 0.037 0.000 1.546 144 Y CB 0.313 38.811 38.460 0.063 0.000 1.248 144 Y HN 0.364 nan 8.280 nan 0.000 0.559 145 L N 10.647 131.439 121.223 -0.719 0.000 2.342 145 L HA 0.427 4.766 4.340 -0.001 0.000 0.276 145 L C -2.143 174.098 176.870 -1.049 0.000 0.997 145 L CA -2.170 52.052 54.840 -1.031 0.000 0.838 145 L CB 1.900 43.281 42.059 -1.129 0.000 1.224 145 L HN 0.522 nan 8.230 nan 0.000 0.416 146 P HA 0.135 nan 4.420 nan 0.000 0.228 146 P C -1.067 176.044 177.300 -0.314 0.000 1.748 146 P CA 0.247 62.968 63.100 -0.633 0.000 0.909 146 P CB -0.120 31.335 31.700 -0.408 0.000 1.882 147 D N 0.451 120.669 120.400 -0.304 0.000 2.333 147 D HA 0.024 4.663 4.640 -0.001 0.000 0.225 147 D C 0.721 176.941 176.300 -0.133 0.000 1.345 147 D CA -0.224 53.672 54.000 -0.173 0.000 0.971 147 D CB 0.866 41.553 40.800 -0.188 0.000 1.451 147 D HN -0.104 nan 8.370 nan 0.000 0.561 148 E N 0.688 120.882 120.200 -0.009 0.000 2.209 148 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 148 E C 1.639 178.273 176.600 0.057 0.000 0.993 148 E CA 1.295 57.754 56.400 0.099 0.000 0.819 148 E CB 0.278 30.084 29.700 0.176 0.000 0.745 148 E HN 0.499 nan 8.360 nan 0.000 0.477 149 S N 0.695 116.396 115.700 0.001 0.000 2.453 149 S HA -0.081 4.389 4.470 -0.001 0.000 0.231 149 S C 1.700 176.174 174.600 -0.211 0.000 1.005 149 S CA 0.730 58.907 58.200 -0.038 0.000 0.949 149 S CB 0.044 63.250 63.200 0.011 0.000 0.774 149 S HN 0.123 nan 8.310 nan 0.000 0.510 150 K N 0.391 120.651 120.400 -0.233 0.000 2.314 150 K HA 0.309 4.628 4.320 -0.001 0.000 0.198 150 K C 1.823 178.231 176.600 -0.320 0.000 1.045 150 K CA 0.400 56.463 56.287 -0.372 0.000 0.988 150 K CB -0.175 32.231 32.500 -0.157 0.000 0.783 150 K HN 0.348 nan 8.250 nan 0.000 0.484 151 L N 0.939 122.046 121.223 -0.193 0.000 2.217 151 L HA -0.135 4.204 4.340 -0.001 0.000 0.211 151 L C 2.530 179.410 176.870 0.017 0.000 1.107 151 L CA 0.745 55.486 54.840 -0.167 0.000 0.783 151 L CB -0.086 41.744 42.059 -0.381 0.000 0.919 151 L HN 0.135 nan 8.230 nan 0.000 0.442 152 Q N 0.498 120.317 119.800 0.032 0.000 2.119 152 Q HA -0.242 4.098 4.340 -0.001 0.000 0.201 152 Q C 1.920 177.924 176.000 0.006 0.000 0.972 152 Q CA 1.809 57.667 55.803 0.092 0.000 0.847 152 Q CB 0.120 28.901 28.738 0.073 0.000 0.903 152 Q HN 0.391 nan 8.270 nan 0.000 0.433 153 E N -1.295 118.786 120.200 -0.198 0.000 2.060 153 E HA -0.089 4.260 4.350 -0.001 0.000 0.189 153 E C 1.151 177.679 176.600 -0.120 0.000 0.974 153 E CA 1.066 57.307 56.400 -0.264 0.000 0.808 153 E CB -0.368 28.963 29.700 -0.614 0.000 0.768 153 E HN 0.458 nan 8.360 nan 0.000 0.453 154 Y N -0.573 119.740 120.300 0.022 0.000 2.583 154 Y HA 0.151 4.700 4.550 -0.001 0.000 0.293 154 Y C 1.669 177.575 175.900 0.009 0.000 1.157 154 Y CA 0.226 58.345 58.100 0.032 0.000 1.315 154 Y CB 0.137 38.665 38.460 0.113 0.000 1.021 154 Y HN -0.015 nan 8.280 nan 0.000 0.536 155 V N -2.107 117.899 119.914 0.153 0.000 3.102 155 V HA -0.036 4.084 4.120 -0.001 0.000 0.225 155 V C 1.817 178.072 176.094 0.269 0.000 1.301 155 V CA 0.431 62.833 62.300 0.169 0.000 1.308 155 V CB 0.026 31.935 31.823 0.143 0.000 1.129 155 V HN 0.050 nan 8.190 nan 0.000 0.502 156 M N 0.523 120.321 119.600 0.329 0.000 2.447 156 M HA 0.141 4.620 4.480 -0.001 0.000 0.264 156 M C 0.863 177.354 176.300 0.317 0.000 1.095 156 M CA 0.682 56.236 55.300 0.423 0.000 1.125 156 M CB -0.960 31.865 32.600 0.375 0.000 1.389 156 M HN 0.288 nan 8.290 nan 0.000 0.459 157 N N 2.171 120.984 118.700 0.189 0.000 2.497 157 N HA 0.010 4.750 4.740 -0.001 0.000 0.271 157 N C 0.254 175.870 175.510 0.178 0.000 1.142 157 N CA 0.532 53.680 53.050 0.163 0.000 0.965 157 N CB 0.882 39.441 38.487 0.120 0.000 1.077 157 N HN 0.206 nan 8.380 nan 0.000 0.462 158 E N 0.903 121.204 120.200 0.167 0.000 2.481 158 E HA 0.113 4.462 4.350 -0.001 0.000 0.198 158 E C -0.748 175.960 176.600 0.180 0.000 1.027 158 E CA 0.159 56.657 56.400 0.164 0.000 0.900 158 E CB 0.525 30.267 29.700 0.071 0.000 0.993 158 E HN 0.545 nan 8.360 nan 0.000 0.482 159 D N 0.396 120.877 120.400 0.135 0.000 2.408 159 D HA 0.345 4.984 4.640 -0.001 0.000 0.243 159 D C -0.150 176.175 176.300 0.041 0.000 1.075 159 D CA -0.045 53.954 54.000 -0.002 0.000 0.832 159 D CB 1.989 42.787 40.800 -0.004 0.000 1.162 159 D HN 0.085 nan 8.370 nan 0.000 0.515 160 G N 0.176 108.884 108.800 -0.152 0.000 3.140 160 G HA2 0.653 4.613 3.960 -0.001 0.000 0.271 160 G HA3 0.653 4.613 3.960 -0.001 0.000 0.271 160 G C -1.161 173.698 174.900 -0.069 0.000 1.370 160 G CA -0.482 44.641 45.100 0.038 0.000 1.014 160 G HN 0.307 nan 8.290 nan 0.000 0.541 161 V N 0.492 120.370 119.914 -0.058 0.000 2.668 161 V HA 0.425 4.544 4.120 -0.001 0.000 0.304 161 V C -0.692 175.188 176.094 -0.356 0.000 1.071 161 V CA -0.451 61.716 62.300 -0.222 0.000 0.894 161 V CB 1.661 33.334 31.823 -0.249 0.000 1.008 161 V HN 0.585 nan 8.190 nan 0.000 0.425 162 I N 4.506 124.832 120.570 -0.407 0.000 2.378 162 I HA 0.461 4.631 4.170 -0.001 0.000 0.291 162 I C -0.842 174.885 176.117 -0.651 0.000 0.992 162 I CA -0.716 60.331 61.300 -0.422 0.000 1.154 162 I CB 1.566 39.395 38.000 -0.285 0.000 1.315 162 I HN 0.500 nan 8.210 nan 0.000 0.448 163 Y N 6.252 126.413 120.300 -0.232 0.000 2.304 163 Y HA 0.507 5.056 4.550 -0.001 0.000 0.327 163 Y C 0.503 176.081 175.900 -0.536 0.000 1.209 163 Y CA 0.017 57.977 58.100 -0.232 0.000 1.299 163 Y CB 0.993 39.432 38.460 -0.034 0.000 1.249 163 Y HN 0.475 nan 8.280 nan 0.000 0.519 164 M N 0.116 119.468 119.600 -0.415 0.000 3.557 164 M HA 0.607 5.087 4.480 -0.001 0.000 0.301 164 M C 0.337 176.434 176.300 -0.338 0.000 1.451 164 M CA -0.149 54.541 55.300 -1.016 0.000 0.816 164 M CB 2.160 34.044 32.600 -1.193 0.000 1.848 164 M HN 0.785 nan 8.290 nan 0.000 0.456 165 G N 0.530 109.123 108.800 -0.345 0.000 2.503 165 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.235 165 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.235 165 G C -0.506 174.537 174.900 0.238 0.000 1.179 165 G CA -0.129 44.909 45.100 -0.104 0.000 0.944 165 G HN 1.135 nan 8.290 nan 0.000 0.580 166 T N -2.040 112.533 114.554 0.031 0.000 2.916 166 T HA 0.558 4.907 4.350 -0.001 0.000 0.292 166 T C 1.259 175.724 174.700 -0.391 0.000 1.055 166 T CA 0.399 62.527 62.100 0.047 0.000 1.009 166 T CB 1.604 70.405 68.868 -0.112 0.000 1.118 166 T HN 1.701 nan 8.240 nan 0.000 0.497 167 W N 1.937 123.114 121.300 -0.204 0.000 2.387 167 W HA -0.062 4.598 4.660 -0.001 0.000 0.272 167 W C 0.135 176.456 176.519 -0.331 0.000 1.224 167 W CA 1.468 58.482 57.345 -0.553 0.000 1.210 167 W CB -0.813 28.573 29.460 -0.123 0.000 1.125 167 W HN 0.759 nan 8.180 nan 0.000 0.572 168 D N -1.797 117.946 120.400 -1.096 0.000 2.369 168 D HA -0.054 4.585 4.640 -0.001 0.000 0.211 168 D C 0.034 176.119 176.300 -0.357 0.000 1.077 168 D CA 0.046 53.544 54.000 -0.837 0.000 0.842 168 D CB -0.793 39.149 40.800 -1.431 0.000 0.947 168 D HN 0.122 nan 8.370 nan 0.000 0.509 169 Y N 1.520 121.537 120.300 -0.472 0.000 2.517 169 Y HA 0.351 4.901 4.550 -0.001 0.000 0.328 169 Y C -1.243 174.500 175.900 -0.261 0.000 1.130 169 Y CA -2.207 55.719 58.100 -0.290 0.000 1.280 169 Y CB -0.436 37.898 38.460 -0.211 0.000 1.101 169 Y HN -0.198 nan 8.280 nan 0.000 0.610 170 I N 5.250 125.758 120.570 -0.103 0.000 2.441 170 I HA 0.339 4.508 4.170 -0.001 0.000 0.287 170 I C 0.414 176.517 176.117 -0.025 0.000 1.049 170 I CA -0.129 61.081 61.300 -0.151 0.000 1.381 170 I CB 0.875 38.761 38.000 -0.190 0.000 1.409 170 I HN 0.434 nan 8.210 nan 0.000 0.523 171 R N 4.681 125.140 120.500 -0.068 0.000 2.832 171 R HA 0.653 4.992 4.340 -0.001 0.000 0.271 171 R C -1.353 174.891 176.300 -0.092 0.000 0.996 171 R CA -0.524 55.520 56.100 -0.093 0.000 0.977 171 R CB 1.913 32.078 30.300 -0.225 0.000 1.168 171 R HN 0.627 nan 8.270 nan 0.000 0.482 172 S N 3.063 118.693 115.700 -0.118 0.000 2.482 172 S HA 0.508 4.977 4.470 -0.001 0.000 0.303 172 S C -0.341 174.111 174.600 -0.247 0.000 1.091 172 S CA -0.867 57.178 58.200 -0.258 0.000 1.057 172 S CB 1.208 64.290 63.200 -0.197 0.000 1.031 172 S HN 0.596 nan 8.310 nan 0.000 0.485 173 I N -0.252 120.139 120.570 -0.299 0.000 2.447 173 I HA 0.606 4.775 4.170 -0.001 0.000 0.287 173 I C -2.905 173.144 176.117 -0.114 0.000 1.023 173 I CA -2.631 58.565 61.300 -0.173 0.000 1.083 173 I CB 1.920 39.834 38.000 -0.144 0.000 1.245 173 I HN 0.282 nan 8.210 nan 0.000 0.434 174 P HA 0.044 nan 4.420 nan 0.000 0.272 174 P C -1.382 175.945 177.300 0.045 0.000 1.223 174 P CA -0.025 63.044 63.100 -0.052 0.000 0.784 174 P CB 0.803 32.466 31.700 -0.062 0.000 0.923 175 W N 2.776 123.896 121.300 -0.299 0.000 3.129 175 W HA 0.191 4.850 4.660 -0.001 0.000 0.333 175 W C -1.102 175.118 176.519 -0.498 0.000 1.141 175 W CA -0.501 56.622 57.345 -0.370 0.000 1.224 175 W CB 2.202 31.393 29.460 -0.450 0.000 1.393 175 W HN 0.257 nan 8.180 nan 0.000 0.499 176 N N 4.082 122.492 118.700 -0.483 0.000 2.558 176 N HA 0.081 4.821 4.740 -0.001 0.000 0.233 176 N C 0.239 175.642 175.510 -0.178 0.000 1.038 176 N CA 0.010 52.872 53.050 -0.313 0.000 0.934 176 N CB 0.177 38.498 38.487 -0.277 0.000 1.175 176 N HN 0.270 nan 8.380 nan 0.000 0.512 177 Y N 2.280 122.670 120.300 0.149 0.000 2.352 177 Y HA 0.084 4.634 4.550 -0.001 0.000 0.292 177 Y C 2.042 177.940 175.900 -0.004 0.000 1.136 177 Y CA 0.888 59.078 58.100 0.150 0.000 1.227 177 Y CB -0.603 37.902 38.460 0.076 0.000 0.991 177 Y HN 0.685 nan 8.280 nan 0.000 0.545 178 G N 1.320 110.164 108.800 0.072 0.000 2.422 178 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.301 178 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.301 178 G C 1.197 176.058 174.900 -0.065 0.000 0.981 178 G CA 0.739 45.833 45.100 -0.010 0.000 0.994 178 G HN 0.563 nan 8.290 nan 0.000 0.514 179 Q N -1.115 118.563 119.800 -0.203 0.000 2.364 179 Q HA -0.026 4.313 4.340 -0.001 0.000 0.207 179 Q C 1.357 177.170 176.000 -0.312 0.000 0.970 179 Q CA 1.201 56.805 55.803 -0.332 0.000 0.888 179 Q CB -0.179 28.247 28.738 -0.521 0.000 0.951 179 Q HN 0.601 nan 8.270 nan 0.000 0.469 180 F N 1.396 121.373 119.950 0.045 0.000 2.639 180 F HA 0.366 4.892 4.527 -0.001 0.000 0.302 180 F C 0.598 176.388 175.800 -0.016 0.000 1.097 180 F CA -1.008 57.003 58.000 0.018 0.000 1.294 180 F CB 0.131 39.148 39.000 0.027 0.000 1.027 180 F HN -0.127 nan 8.300 nan 0.000 0.550 181 E N 0.842 121.097 120.200 0.092 0.000 2.392 181 E HA 0.021 4.371 4.350 -0.001 0.000 0.259 181 E C -0.307 176.271 176.600 -0.037 0.000 1.108 181 E CA -0.143 56.271 56.400 0.024 0.000 0.916 181 E CB 0.586 30.289 29.700 0.005 0.000 0.989 181 E HN 0.051 nan 8.360 nan 0.000 0.432 182 D N 0.629 120.946 120.400 -0.138 0.000 2.531 182 D HA -0.081 4.558 4.640 -0.001 0.000 0.239 182 D C 0.176 176.259 176.300 -0.360 0.000 1.144 182 D CA 0.896 54.628 54.000 -0.446 0.000 0.869 182 D CB -0.162 40.217 40.800 -0.703 0.000 1.160 182 D HN 0.471 nan 8.370 nan 0.000 0.484 183 Y N -1.187 119.147 120.300 0.058 0.000 4.916 183 Y HA -0.363 4.187 4.550 -0.000 0.000 0.247 183 Y C 1.718 177.647 175.900 0.048 0.000 0.962 183 Y CA 0.107 58.235 58.100 0.047 0.000 1.933 183 Y CB -1.722 36.768 38.460 0.050 0.000 1.451 183 Y HN 0.321 nan 8.280 nan 0.000 0.539 184 V N 0.604 120.592 119.914 0.123 0.000 2.594 184 V HA -0.358 3.762 4.120 -0.001 0.000 0.253 184 V C 2.338 178.468 176.094 0.061 0.000 1.069 184 V CA 2.262 64.613 62.300 0.085 0.000 1.082 184 V CB -0.342 31.503 31.823 0.038 0.000 0.680 184 V HN 0.642 nan 8.190 nan 0.000 0.469 185 M N 0.219 119.859 119.600 0.068 0.000 2.156 185 M HA -0.168 4.312 4.480 -0.001 0.000 0.264 185 M C 1.773 178.112 176.300 0.065 0.000 1.067 185 M CA 2.174 57.494 55.300 0.033 0.000 1.131 185 M CB -0.291 32.336 32.600 0.045 0.000 1.368 185 M HN 0.332 nan 8.290 nan 0.000 0.416 186 D N 0.804 121.273 120.400 0.114 0.000 2.144 186 D HA -0.132 4.507 4.640 -0.001 0.000 0.199 186 D C 1.794 178.217 176.300 0.205 0.000 0.984 186 D CA 1.587 55.690 54.000 0.171 0.000 0.834 186 D CB -0.236 40.655 40.800 0.152 0.000 0.955 186 D HN 0.430 nan 8.370 nan 0.000 0.465 187 I N 0.160 120.836 120.570 0.176 0.000 2.439 187 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 187 I C 1.903 178.102 176.117 0.137 0.000 1.139 187 I CA 0.343 61.774 61.300 0.218 0.000 1.438 187 I CB -0.110 38.022 38.000 0.220 0.000 1.085 187 I HN 0.164 nan 8.210 nan 0.000 0.427 188 C N 0.454 119.758 119.300 0.006 0.000 2.432 188 C HA -0.185 4.275 4.460 -0.001 0.000 0.277 188 C C 2.623 177.533 174.990 -0.133 0.000 1.249 188 C CA 0.890 59.827 59.018 -0.136 0.000 1.725 188 C CB -1.102 26.486 27.740 -0.253 0.000 2.028 188 C HN 0.425 nan 8.230 nan 0.000 0.477 189 F N 0.707 120.719 119.950 0.104 0.000 2.365 189 F HA -0.101 4.426 4.527 -0.001 0.000 0.300 189 F C 2.466 178.351 175.800 0.141 0.000 1.090 189 F CA 1.406 59.480 58.000 0.124 0.000 1.408 189 F CB -0.376 38.707 39.000 0.138 0.000 1.060 189 F HN 0.368 nan 8.300 nan 0.000 0.534 190 E N 0.199 120.587 120.200 0.313 0.000 2.107 190 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 190 E C 2.247 179.088 176.600 0.403 0.000 0.982 190 E CA 0.813 57.415 56.400 0.335 0.000 0.809 190 E CB 0.091 30.019 29.700 0.379 0.000 0.756 190 E HN 0.189 nan 8.360 nan 0.000 0.459 191 V N 1.307 121.383 119.914 0.270 0.000 2.427 191 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 191 V C 2.318 178.479 176.094 0.112 0.000 1.051 191 V CA 1.231 63.583 62.300 0.086 0.000 1.048 191 V CB -0.313 31.364 31.823 -0.243 0.000 0.666 191 V HN 0.340 nan 8.190 nan 0.000 0.456 192 L N -0.358 120.942 121.223 0.129 0.000 2.156 192 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 192 L C 2.053 179.028 176.870 0.175 0.000 1.095 192 L CA 1.117 56.046 54.840 0.148 0.000 0.770 192 L CB -0.452 41.733 42.059 0.210 0.000 0.914 192 L HN 0.335 nan 8.230 nan 0.000 0.439 193 D N -0.444 120.076 120.400 0.201 0.000 2.317 193 D HA -0.076 4.563 4.640 -0.001 0.000 0.211 193 D C 1.287 177.673 176.300 0.144 0.000 0.966 193 D CA 0.735 54.836 54.000 0.168 0.000 0.876 193 D CB -0.003 40.896 40.800 0.165 0.000 0.927 193 D HN 0.268 nan 8.370 nan 0.000 0.519 194 N N 0.276 119.082 118.700 0.177 0.000 2.214 194 N HA 0.004 4.744 4.740 -0.001 0.000 0.214 194 N C 0.095 175.685 175.510 0.132 0.000 1.132 194 N CA -0.002 53.145 53.050 0.162 0.000 0.856 194 N CB 0.886 39.520 38.487 0.246 0.000 1.020 194 N HN 0.053 nan 8.380 nan 0.000 0.509 195 S N 0.515 116.280 115.700 0.107 0.000 2.617 195 S HA 0.331 4.800 4.470 -0.001 0.000 0.269 195 S C -1.638 172.995 174.600 0.055 0.000 1.292 195 S CA -1.003 57.236 58.200 0.066 0.000 1.010 195 S CB 1.986 65.207 63.200 0.035 0.000 0.944 195 S HN -0.188 nan 8.310 nan 0.000 0.536 196 P HA -0.154 nan 4.420 nan 0.000 0.216 196 P C 1.579 178.900 177.300 0.035 0.000 1.154 196 P CA 2.251 65.370 63.100 0.031 0.000 0.865 196 P CB -0.253 31.457 31.700 0.018 0.000 0.789 197 A N -0.339 122.504 122.820 0.038 0.000 1.902 197 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 197 A C 2.321 179.944 177.584 0.065 0.000 1.181 197 A CA 2.107 54.176 52.037 0.053 0.000 0.623 197 A CB -1.550 17.501 19.000 0.086 0.000 0.818 197 A HN 0.211 nan 8.150 nan 0.000 0.443 198 A N -0.501 122.368 122.820 0.081 0.000 1.968 198 A HA 0.093 4.412 4.320 -0.001 0.000 0.217 198 A C 2.128 179.747 177.584 0.059 0.000 1.169 198 A CA 1.283 53.369 52.037 0.083 0.000 0.638 198 A CB -0.455 18.607 19.000 0.103 0.000 0.812 198 A HN 0.466 nan 8.150 nan 0.000 0.446 199 L N -1.030 120.225 121.223 0.052 0.000 2.095 199 L HA -0.103 4.237 4.340 -0.001 0.000 0.204 199 L C 2.545 179.434 176.870 0.031 0.000 1.080 199 L CA 1.717 56.580 54.840 0.039 0.000 0.759 199 L CB -0.424 41.658 42.059 0.037 0.000 0.914 199 L HN 0.389 nan 8.230 nan 0.000 0.439 200 K N 0.356 120.775 120.400 0.030 0.000 1.985 200 K HA -0.141 4.179 4.320 -0.001 0.000 0.210 200 K C 0.832 177.446 176.600 0.023 0.000 1.047 200 K CA 1.312 57.614 56.287 0.024 0.000 0.932 200 K CB 0.168 32.682 32.500 0.023 0.000 0.716 200 K HN 0.075 nan 8.250 nan 0.000 0.439 201 N N -0.303 118.413 118.700 0.026 0.000 2.609 201 N HA 0.069 4.809 4.740 -0.001 0.000 0.268 201 N C -0.182 175.348 175.510 0.033 0.000 1.106 201 N CA -0.009 53.056 53.050 0.025 0.000 0.823 201 N CB 1.478 39.976 38.487 0.019 0.000 1.263 201 N HN 0.229 nan 8.380 nan 0.000 0.533 202 S N 1.837 117.557 115.700 0.033 0.000 2.359 202 S HA -0.197 4.273 4.470 -0.001 0.000 0.224 202 S C 1.413 176.035 174.600 0.037 0.000 1.035 202 S CA 1.151 59.373 58.200 0.038 0.000 1.018 202 S CB -0.248 62.967 63.200 0.026 0.000 0.876 202 S HN 0.694 nan 8.310 nan 0.000 0.448 203 E N 0.823 121.040 120.200 0.029 0.000 2.047 203 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 203 E C 2.176 178.806 176.600 0.051 0.000 0.987 203 E CA 1.173 57.591 56.400 0.029 0.000 0.799 203 E CB -0.248 29.466 29.700 0.023 0.000 0.752 203 E HN 0.640 nan 8.360 nan 0.000 0.449 204 M N 0.859 120.494 119.600 0.058 0.000 2.117 204 M HA -0.200 4.279 4.480 -0.001 0.000 0.262 204 M C 1.854 178.223 176.300 0.115 0.000 1.065 204 M CA 2.224 57.583 55.300 0.098 0.000 1.114 204 M CB -0.153 32.475 32.600 0.047 0.000 1.361 204 M HN 0.049 nan 8.290 nan 0.000 0.408 205 D N 0.204 120.634 120.400 0.049 0.000 2.123 205 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 205 D C 1.718 178.076 176.300 0.098 0.000 0.992 205 D CA 1.658 55.703 54.000 0.076 0.000 0.833 205 D CB -0.218 40.663 40.800 0.135 0.000 0.954 205 D HN 0.503 nan 8.370 nan 0.000 0.455 206 I N 0.459 121.077 120.570 0.080 0.000 2.226 206 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 206 I C 2.127 178.270 176.117 0.044 0.000 1.100 206 I CA 1.177 62.509 61.300 0.055 0.000 1.374 206 I CB -0.327 37.675 38.000 0.003 0.000 1.057 206 I HN 0.145 nan 8.210 nan 0.000 0.413 207 E N -0.284 119.950 120.200 0.056 0.000 2.265 207 E HA -0.228 4.122 4.350 -0.001 0.000 0.196 207 E C 1.541 178.086 176.600 -0.093 0.000 0.996 207 E CA 0.993 57.401 56.400 0.013 0.000 0.832 207 E CB -0.133 29.582 29.700 0.026 0.000 0.756 207 E HN 0.622 nan 8.360 nan 0.000 0.491 208 H N -0.219 118.705 119.070 -0.244 0.000 2.553 208 H HA 0.185 4.741 4.556 -0.001 0.000 0.265 208 H C 1.215 176.327 175.328 -0.360 0.000 0.964 208 H CA 0.171 55.910 56.048 -0.515 0.000 1.156 208 H CB 0.322 29.307 29.762 -1.294 0.000 1.411 208 H HN -0.054 nan 8.280 nan 0.000 0.558 209 R N 0.267 120.780 120.500 0.022 0.000 2.339 209 R HA -0.032 4.308 4.340 -0.001 0.000 0.199 209 R C 1.388 177.814 176.300 0.211 0.000 1.018 209 R CA 0.937 57.165 56.100 0.214 0.000 1.036 209 R CB 0.106 30.533 30.300 0.212 0.000 0.899 209 R HN 0.297 nan 8.270 nan 0.000 0.473 210 S N -0.600 115.191 115.700 0.151 0.000 2.548 210 S HA -0.025 4.445 4.470 -0.001 0.000 0.215 210 S C 0.349 175.134 174.600 0.309 0.000 0.976 210 S CA -0.250 58.056 58.200 0.177 0.000 0.908 210 S CB 0.300 63.573 63.200 0.122 0.000 0.781 210 S HN 0.016 nan 8.310 nan 0.000 0.519 211 D N 2.760 123.353 120.400 0.322 0.000 2.317 211 D HA 0.355 4.995 4.640 -0.001 0.000 0.234 211 D C -1.589 174.941 176.300 0.384 0.000 1.112 211 D CA -2.454 51.738 54.000 0.321 0.000 0.840 211 D CB 1.972 42.911 40.800 0.233 0.000 1.078 211 D HN 0.021 nan 8.370 nan 0.000 0.486 212 P HA -0.127 nan 4.420 nan 0.000 0.220 212 P C 1.525 178.825 177.300 -0.002 0.000 1.148 212 P CA 0.369 63.398 63.100 -0.117 0.000 0.803 212 P CB 0.549 32.016 31.700 -0.389 0.000 0.782 213 V N -0.660 119.308 119.914 0.090 0.000 2.307 213 V HA -0.249 3.871 4.120 -0.001 0.000 0.245 213 V C 2.604 178.777 176.094 0.132 0.000 1.045 213 V CA 1.826 64.192 62.300 0.111 0.000 1.024 213 V CB -1.417 30.513 31.823 0.179 0.000 0.651 213 V HN 0.005 nan 8.190 nan 0.000 0.449 214 Y N 0.622 120.981 120.300 0.099 0.000 2.114 214 Y HA -0.218 4.332 4.550 -0.001 0.000 0.284 214 Y C 2.392 178.337 175.900 0.076 0.000 1.143 214 Y CA 2.109 60.270 58.100 0.101 0.000 1.135 214 Y CB -0.335 38.239 38.460 0.191 0.000 0.980 214 Y HN 0.027 nan 8.280 nan 0.000 0.499 215 V N 0.343 120.428 119.914 0.286 0.000 2.490 215 V HA -0.253 3.867 4.120 -0.001 0.000 0.250 215 V C 2.517 178.613 176.094 0.003 0.000 1.061 215 V CA 1.873 64.282 62.300 0.182 0.000 1.064 215 V CB -1.451 30.626 31.823 0.423 0.000 0.670 215 V HN 0.671 nan 8.190 nan 0.000 0.461 216 G N -0.077 108.707 108.800 -0.026 0.000 2.394 216 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.215 216 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.215 216 G C 1.674 176.500 174.900 -0.123 0.000 1.165 216 G CA 0.785 45.842 45.100 -0.072 0.000 0.784 216 G HN 0.486 nan 8.290 nan 0.000 0.535 217 R N -0.060 120.328 120.500 -0.186 0.000 2.115 217 R HA -0.016 4.323 4.340 -0.001 0.000 0.230 217 R C 2.382 178.516 176.300 -0.276 0.000 1.111 217 R CA 1.889 57.821 56.100 -0.280 0.000 0.976 217 R CB -0.516 29.522 30.300 -0.436 0.000 0.870 217 R HN 0.267 nan 8.270 nan 0.000 0.445 218 T N 1.365 115.731 114.554 -0.313 0.000 2.770 218 T HA -0.029 4.320 4.350 -0.001 0.000 0.263 218 T C 1.714 176.310 174.700 -0.172 0.000 1.039 218 T CA 1.067 62.998 62.100 -0.282 0.000 1.142 218 T CB -0.031 68.630 68.868 -0.345 0.000 0.868 218 T HN 0.079 nan 8.240 nan 0.000 0.435 219 I N 1.875 122.363 120.570 -0.136 0.000 2.179 219 I HA -0.124 4.046 4.170 -0.001 0.000 0.242 219 I C 2.638 178.679 176.117 -0.127 0.000 1.088 219 I CA 1.504 62.732 61.300 -0.120 0.000 1.357 219 I CB -1.749 36.196 38.000 -0.093 0.000 1.051 219 I HN 0.247 nan 8.210 nan 0.000 0.409 220 T N 1.297 115.781 114.554 -0.117 0.000 2.803 220 T HA -0.129 4.221 4.350 -0.001 0.000 0.269 220 T C 1.954 176.584 174.700 -0.117 0.000 1.052 220 T CA 1.486 63.526 62.100 -0.099 0.000 1.136 220 T CB -0.214 68.603 68.868 -0.086 0.000 0.864 220 T HN 0.463 nan 8.240 nan 0.000 0.467 221 A N 1.128 123.868 122.820 -0.133 0.000 1.968 221 A HA 0.094 4.414 4.320 -0.001 0.000 0.217 221 A C 2.239 179.749 177.584 -0.123 0.000 1.169 221 A CA 0.904 52.869 52.037 -0.121 0.000 0.638 221 A CB -0.358 18.567 19.000 -0.124 0.000 0.812 221 A HN 0.327 nan 8.150 nan 0.000 0.446 222 M N -0.353 119.166 119.600 -0.135 0.000 2.419 222 M HA -0.021 4.458 4.480 -0.001 0.000 0.264 222 M C 2.011 178.189 176.300 -0.204 0.000 1.082 222 M CA 0.785 55.999 55.300 -0.142 0.000 1.119 222 M CB -0.706 31.809 32.600 -0.141 0.000 1.398 222 M HN 0.247 nan 8.290 nan 0.000 0.453 223 V N 1.145 120.926 119.914 -0.223 0.000 2.332 223 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 223 V C 1.999 177.890 176.094 -0.339 0.000 1.055 223 V CA 2.134 64.279 62.300 -0.258 0.000 1.038 223 V CB -0.639 31.072 31.823 -0.186 0.000 0.651 223 V HN 0.648 nan 8.190 nan 0.000 0.450 224 N N -1.407 117.051 118.700 -0.403 0.000 2.496 224 N HA -0.106 4.633 4.740 -0.001 0.000 0.262 224 N C 1.972 177.325 175.510 -0.261 0.000 0.981 224 N CA 0.916 53.666 53.050 -0.500 0.000 0.903 224 N CB 0.249 37.993 38.487 -1.238 0.000 1.737 224 N HN 0.345 nan 8.380 nan 0.000 0.715 225 S N 1.152 116.726 115.700 -0.210 0.000 2.392 225 S HA -0.185 4.285 4.470 -0.001 0.000 0.232 225 S C 0.841 175.402 174.600 -0.065 0.000 1.041 225 S CA 0.926 59.063 58.200 -0.104 0.000 1.026 225 S CB -0.839 62.320 63.200 -0.070 0.000 0.845 225 S HN 0.424 nan 8.310 nan 0.000 0.465 226 N N 1.865 120.527 118.700 -0.063 0.000 2.406 226 N HA 0.181 4.921 4.740 -0.001 0.000 0.265 226 N C 1.039 176.549 175.510 0.001 0.000 1.203 226 N CA 0.659 53.696 53.050 -0.021 0.000 0.945 226 N CB 0.868 39.349 38.487 -0.010 0.000 1.165 226 N HN 0.386 nan 8.380 nan 0.000 0.485 227 G N 2.675 111.481 108.800 0.010 0.000 2.421 227 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 227 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 227 G C 0.958 175.885 174.900 0.046 0.000 1.143 227 G CA 0.634 45.751 45.100 0.029 0.000 0.784 227 G HN 0.763 nan 8.290 nan 0.000 0.541 228 D N -0.189 120.239 120.400 0.046 0.000 2.301 228 D HA 0.023 4.662 4.640 -0.001 0.000 0.206 228 D C 1.880 178.227 176.300 0.077 0.000 0.979 228 D CA 0.219 54.249 54.000 0.051 0.000 0.874 228 D CB -0.009 40.812 40.800 0.035 0.000 0.968 228 D HN 0.311 nan 8.370 nan 0.000 0.510 229 R N 0.382 120.949 120.500 0.111 0.000 2.549 229 R HA 0.280 4.619 4.340 -0.001 0.000 0.361 229 R C 1.000 177.496 176.300 0.327 0.000 0.969 229 R CA -0.098 56.126 56.100 0.205 0.000 1.158 229 R CB 1.557 31.968 30.300 0.184 0.000 1.456 229 R HN 0.033 nan 8.270 nan 0.000 0.540 230 G N 0.234 109.136 108.800 0.169 0.000 2.794 230 G HA2 0.033 3.992 3.960 -0.001 0.000 0.249 230 G HA3 0.033 3.992 3.960 -0.001 0.000 0.249 230 G C 1.008 175.948 174.900 0.066 0.000 1.236 230 G CA -0.447 44.688 45.100 0.058 0.000 0.880 230 G HN -0.038 nan 8.290 nan 0.000 0.586 231 V N 0.098 119.874 119.914 -0.229 0.000 2.599 231 V HA 0.181 4.300 4.120 -0.001 0.000 0.245 231 V C 1.052 177.089 176.094 -0.096 0.000 1.046 231 V CA 1.097 63.131 62.300 -0.443 0.000 1.065 231 V CB -0.592 30.839 31.823 -0.653 0.000 0.703 231 V HN 0.332 nan 8.190 nan 0.000 0.464 232 L N -1.121 120.065 121.223 -0.062 0.000 2.371 232 L HA 0.503 4.842 4.340 -0.001 0.000 0.262 232 L C -0.352 176.567 176.870 0.081 0.000 1.006 232 L CA -0.209 54.661 54.840 0.050 0.000 0.818 232 L CB 2.438 44.590 42.059 0.155 0.000 1.354 232 L HN -0.103 nan 8.230 nan 0.000 0.415 233 T N 0.766 115.417 114.554 0.160 0.000 2.795 233 T HA 0.487 4.837 4.350 -0.001 0.000 0.282 233 T C 0.117 174.997 174.700 0.299 0.000 0.980 233 T CA -0.467 61.755 62.100 0.204 0.000 1.012 233 T CB 1.422 70.420 68.868 0.216 0.000 0.936 233 T HN 0.694 nan 8.240 nan 0.000 0.457 234 G N 1.887 110.844 108.800 0.262 0.000 2.377 234 G HA2 0.574 4.533 3.960 -0.001 0.000 0.299 234 G HA3 0.574 4.533 3.960 -0.001 0.000 0.299 234 G C -0.564 174.277 174.900 -0.098 0.000 1.150 234 G CA -0.551 44.635 45.100 0.144 0.000 0.847 234 G HN 0.549 nan 8.290 nan 0.000 0.501 235 R N 1.655 121.886 120.500 -0.449 0.000 2.539 235 R HA 0.324 4.664 4.340 -0.001 0.000 0.295 235 R C -0.533 175.465 176.300 -0.503 0.000 1.138 235 R CA -0.824 55.029 56.100 -0.413 0.000 0.936 235 R CB 0.500 30.459 30.300 -0.570 0.000 1.182 235 R HN 0.640 nan 8.270 nan 0.000 0.459 236 W N 1.609 122.926 121.300 0.029 0.000 3.047 236 W HA 0.287 4.947 4.660 -0.001 0.000 0.250 236 W C 0.308 176.797 176.519 -0.050 0.000 1.314 236 W CA -0.012 57.327 57.345 -0.010 0.000 1.540 236 W CB 0.661 30.077 29.460 -0.074 0.000 1.127 236 W HN 0.329 nan 8.180 nan 0.000 0.679 237 E N 0.545 120.725 120.200 -0.033 0.000 2.331 237 E HA -0.026 4.324 4.350 -0.001 0.000 0.275 237 E C 0.935 177.174 176.600 -0.601 0.000 0.895 237 E CA -0.380 55.912 56.400 -0.180 0.000 0.753 237 E CB 1.692 31.318 29.700 -0.125 0.000 1.216 237 E HN -0.133 nan 8.360 nan 0.000 0.434 238 E N 2.934 122.765 120.200 -0.615 0.000 2.335 238 E HA -0.200 4.150 4.350 -0.001 0.000 0.236 238 E C -1.364 174.649 176.600 -0.979 0.000 1.103 238 E CA 1.465 57.359 56.400 -0.844 0.000 1.010 238 E CB -1.126 28.401 29.700 -0.289 0.000 0.859 238 E HN 0.311 nan 8.360 nan 0.000 0.473 239 P HA -0.028 nan 4.420 nan 0.000 0.266 239 P C -1.023 176.014 177.300 -0.439 0.000 1.419 239 P CA 0.301 63.178 63.100 -0.371 0.000 1.112 239 P CB -1.001 30.576 31.700 -0.204 0.000 1.438 240 Y N 1.528 121.799 120.300 -0.049 0.000 2.960 240 Y HA -0.002 4.547 4.550 -0.001 0.000 0.393 240 Y C 2.262 178.302 175.900 0.232 0.000 1.118 240 Y CA -0.086 58.010 58.100 -0.007 0.000 1.850 240 Y CB -1.030 37.482 38.460 0.086 0.000 1.827 240 Y HN 0.330 nan 8.280 nan 0.000 0.463 241 T N -2.720 111.952 114.554 0.196 0.000 2.594 241 T HA -0.284 4.065 4.350 -0.001 0.000 0.266 241 T C 0.681 175.500 174.700 0.199 0.000 1.070 241 T CA 2.043 64.247 62.100 0.173 0.000 1.166 241 T CB -0.148 68.779 68.868 0.099 0.000 0.862 241 T HN 0.393 nan 8.240 nan 0.000 0.436 242 D N 2.117 122.671 120.400 0.257 0.000 3.123 242 D HA 0.540 5.179 4.640 -0.001 0.000 0.305 242 D C 0.574 176.841 176.300 -0.055 0.000 1.373 242 D CA 0.026 54.081 54.000 0.092 0.000 0.889 242 D CB 0.553 41.392 40.800 0.065 0.000 1.070 242 D HN 0.695 nan 8.370 nan 0.000 0.494 243 G N -0.846 107.932 108.800 -0.037 0.000 2.489 243 G HA2 0.308 4.268 3.960 -0.001 0.000 0.305 243 G HA3 0.308 4.268 3.960 -0.001 0.000 0.305 243 G C -1.361 173.469 174.900 -0.116 0.000 1.311 243 G CA -0.517 44.449 45.100 -0.223 0.000 0.813 243 G HN 0.022 nan 8.290 nan 0.000 0.480 244 V N 1.092 120.874 119.914 -0.220 0.000 2.509 244 V HA 0.602 4.721 4.120 -0.001 0.000 0.284 244 V C 1.076 176.927 176.094 -0.405 0.000 1.047 244 V CA -0.039 62.001 62.300 -0.435 0.000 0.952 244 V CB 1.058 32.291 31.823 -0.984 0.000 0.988 244 V HN 1.281 nan 8.190 nan 0.000 0.469 245 A N 6.548 129.039 122.820 -0.547 0.000 2.477 245 A HA 0.408 4.728 4.320 -0.001 0.000 0.246 245 A C -1.278 175.827 177.584 -0.798 0.000 1.078 245 A CA -0.921 50.621 52.037 -0.825 0.000 0.770 245 A CB -0.023 18.512 19.000 -0.775 0.000 1.011 245 A HN 0.731 nan 8.150 nan 0.000 0.494 246 P HA -0.227 nan 4.420 nan 0.000 0.216 246 P C 0.966 178.317 177.300 0.084 0.000 1.150 246 P CA 1.997 65.005 63.100 -0.153 0.000 0.843 246 P CB -0.185 31.356 31.700 -0.266 0.000 0.787 247 Y N -1.998 118.365 120.300 0.105 0.000 2.632 247 Y HA 0.093 4.643 4.550 -0.001 0.000 0.301 247 Y C 1.881 177.838 175.900 0.094 0.000 1.172 247 Y CA 0.257 58.533 58.100 0.293 0.000 1.328 247 Y CB -0.770 37.824 38.460 0.222 0.000 1.016 247 Y HN -0.216 nan 8.280 nan 0.000 0.529 248 R N 0.366 120.417 120.500 -0.747 0.000 2.100 248 R HA -0.014 4.326 4.340 -0.001 0.000 0.220 248 R C -0.263 175.839 176.300 -0.330 0.000 1.091 248 R CA 0.357 56.040 56.100 -0.694 0.000 0.986 248 R CB -0.598 29.108 30.300 -0.988 0.000 0.888 248 R HN 0.407 nan 8.270 nan 0.000 0.444 249 W N 1.462 122.665 121.300 -0.162 0.000 2.210 249 W HA 0.014 4.673 4.660 -0.002 0.000 0.330 249 W C 1.124 177.394 176.519 -0.415 0.000 1.334 249 W CA 0.018 57.219 57.345 -0.240 0.000 1.227 249 W CB 0.347 29.709 29.460 -0.162 0.000 1.178 249 W HN 0.021 nan 8.180 nan 0.000 0.560 250 T N 0.010 114.355 114.554 -0.349 0.000 3.044 250 T HA 0.520 4.869 4.350 -0.001 0.000 0.260 250 T C 0.411 174.424 174.700 -1.144 0.000 1.019 250 T CA 0.086 61.839 62.100 -0.578 0.000 0.921 250 T CB 0.172 68.863 68.868 -0.295 0.000 1.053 250 T HN 0.652 nan 8.240 nan 0.000 0.533 251 G N -0.055 107.897 108.800 -1.414 0.000 2.523 251 G HA2 0.454 4.413 3.960 -0.001 0.000 0.291 251 G HA3 0.454 4.413 3.960 -0.001 0.000 0.291 251 G C -0.029 174.485 174.900 -0.643 0.000 1.450 251 G CA -0.376 43.907 45.100 -1.362 0.000 0.790 251 G HN -0.065 nan 8.290 nan 0.000 0.496 252 S N -0.637 114.988 115.700 -0.125 0.000 2.458 252 S HA -0.006 4.464 4.470 -0.001 0.000 0.223 252 S C 2.471 177.032 174.600 -0.064 0.000 1.019 252 S CA 0.864 59.110 58.200 0.077 0.000 0.937 252 S CB 0.215 63.597 63.200 0.303 0.000 0.788 252 S HN 0.437 nan 8.310 nan 0.000 0.511 253 V N 2.977 122.850 119.914 -0.068 0.000 2.407 253 V HA -0.097 4.023 4.120 -0.001 0.000 0.248 253 V C -0.810 175.254 176.094 -0.050 0.000 1.055 253 V CA 1.668 63.942 62.300 -0.044 0.000 1.049 253 V CB -1.733 30.072 31.823 -0.031 0.000 0.662 253 V HN 0.339 nan 8.190 nan 0.000 0.455 254 P HA -0.062 nan 4.420 nan 0.000 0.219 254 P C 1.755 178.994 177.300 -0.102 0.000 1.150 254 P CA 1.315 64.397 63.100 -0.029 0.000 0.814 254 P CB 0.006 31.744 31.700 0.064 0.000 0.787 255 I N -1.354 119.021 120.570 -0.326 0.000 2.202 255 I HA -0.194 3.975 4.170 -0.001 0.000 0.242 255 I C 2.249 178.303 176.117 -0.105 0.000 1.091 255 I CA 1.238 62.296 61.300 -0.404 0.000 1.368 255 I CB -0.576 37.061 38.000 -0.606 0.000 1.058 255 I HN -0.132 nan 8.210 nan 0.000 0.410 256 L N -0.104 121.078 121.223 -0.068 0.000 2.056 256 L HA -0.206 4.133 4.340 -0.001 0.000 0.207 256 L C 2.722 179.694 176.870 0.170 0.000 1.078 256 L CA 1.115 55.983 54.840 0.047 0.000 0.749 256 L CB -0.690 41.370 42.059 0.003 0.000 0.901 256 L HN 0.300 nan 8.230 nan 0.000 0.433 257 Q N -0.184 119.679 119.800 0.106 0.000 2.124 257 Q HA -0.263 4.076 4.340 -0.001 0.000 0.202 257 Q C 2.088 178.157 176.000 0.115 0.000 0.977 257 Q CA 1.487 57.362 55.803 0.120 0.000 0.850 257 Q CB -0.257 28.538 28.738 0.094 0.000 0.901 257 Q HN 0.584 nan 8.270 nan 0.000 0.429 258 Q N -0.405 119.459 119.800 0.108 0.000 2.046 258 Q HA -0.183 4.156 4.340 -0.001 0.000 0.200 258 Q C 1.861 177.935 176.000 0.124 0.000 0.975 258 Q CA 1.401 57.265 55.803 0.102 0.000 0.836 258 Q CB -0.239 28.563 28.738 0.107 0.000 0.896 258 Q HN 0.435 nan 8.270 nan 0.000 0.428 259 W N 0.424 121.707 121.300 -0.028 0.000 2.335 259 W HA -0.222 4.439 4.660 0.001 0.000 0.311 259 W C 2.528 179.038 176.519 -0.013 0.000 1.213 259 W CA 2.034 59.364 57.345 -0.025 0.000 1.274 259 W CB -0.653 28.785 29.460 -0.038 0.000 1.148 259 W HN 0.142 nan 8.180 nan 0.000 0.498 260 S N 0.081 115.820 115.700 0.065 0.000 2.357 260 S HA -0.152 4.318 4.470 -0.001 0.000 0.221 260 S C 1.935 176.434 174.600 -0.169 0.000 1.031 260 S CA 1.632 59.714 58.200 -0.197 0.000 0.982 260 S CB -0.515 62.744 63.200 0.097 0.000 0.853 260 S HN 0.113 nan 8.310 nan 0.000 0.458 261 K N 1.766 122.135 120.400 -0.052 0.000 2.059 261 K HA 0.066 4.385 4.320 -0.001 0.000 0.212 261 K C 1.832 178.379 176.600 -0.087 0.000 1.050 261 K CA 1.555 57.811 56.287 -0.051 0.000 0.927 261 K CB -0.804 31.693 32.500 -0.005 0.000 0.714 261 K HN 0.421 nan 8.250 nan 0.000 0.447 262 A N -0.693 122.065 122.820 -0.103 0.000 2.255 262 A HA 0.255 4.574 4.320 -0.001 0.000 0.206 262 A C 0.967 178.448 177.584 -0.171 0.000 1.193 262 A CA 0.849 52.819 52.037 -0.112 0.000 0.794 262 A CB -0.720 18.230 19.000 -0.084 0.000 0.794 262 A HN 0.423 nan 8.150 nan 0.000 0.481 263 G N -1.285 107.373 108.800 -0.237 0.000 2.248 263 G HA2 0.021 3.980 3.960 -0.001 0.000 0.252 263 G HA3 0.021 3.980 3.960 -0.001 0.000 0.252 263 G C 0.292 174.944 174.900 -0.414 0.000 1.085 263 G CA -0.120 44.822 45.100 -0.264 0.000 0.845 263 G HN 1.465 nan 8.290 nan 0.000 0.494 264 V N -1.543 117.916 119.914 -0.757 0.000 4.923 264 V HA -0.215 3.904 4.120 -0.001 0.000 0.378 264 V C 0.586 176.326 176.094 -0.591 0.000 0.678 264 V CA 1.897 63.460 62.300 -1.229 0.000 1.503 264 V CB -0.831 30.471 31.823 -0.868 0.000 1.812 264 V HN 0.997 nan 8.190 nan 0.000 0.469 265 R N 4.064 124.274 120.500 -0.484 0.000 2.510 265 R HA 0.410 4.749 4.340 -0.001 0.000 0.294 265 R C -2.710 173.675 176.300 0.141 0.000 1.056 265 R CA -2.042 54.001 56.100 -0.094 0.000 0.918 265 R CB 2.638 32.883 30.300 -0.092 0.000 1.187 265 R HN 0.278 nan 8.270 nan 0.000 0.437 266 P HA -0.128 nan 4.420 nan 0.000 0.261 266 P C -0.557 176.832 177.300 0.148 0.000 1.158 266 P CA 0.271 63.502 63.100 0.217 0.000 0.758 266 P CB 0.471 32.250 31.700 0.132 0.000 0.763 267 V N 5.240 125.240 119.914 0.144 0.000 2.509 267 V HA 0.164 4.283 4.120 -0.001 0.000 0.284 267 V C 0.725 176.844 176.094 0.042 0.000 1.047 267 V CA -0.170 62.186 62.300 0.092 0.000 0.952 267 V CB 0.903 32.774 31.823 0.080 0.000 0.988 267 V HN 0.399 nan 8.190 nan 0.000 0.469 268 K N 4.840 125.181 120.400 -0.098 0.000 2.253 268 K HA 0.584 4.903 4.320 -0.001 0.000 0.277 268 K C -1.456 174.996 176.600 -0.245 0.000 1.053 268 K CA -0.229 55.761 56.287 -0.494 0.000 0.892 268 K CB 1.067 32.875 32.500 -1.153 0.000 1.102 268 K HN 0.575 nan 8.250 nan 0.000 0.469 269 Y N -0.415 120.003 120.300 0.197 0.000 2.715 269 Y HA 0.620 5.169 4.550 -0.001 0.000 0.331 269 Y C 0.518 176.487 175.900 0.115 0.000 1.197 269 Y CA -1.017 57.153 58.100 0.117 0.000 1.079 269 Y CB 2.186 40.667 38.460 0.034 0.000 1.298 269 Y HN 0.621 nan 8.280 nan 0.000 0.477 270 G N -0.144 108.753 108.800 0.161 0.000 2.672 270 G HA2 0.675 4.634 3.960 -0.001 0.000 0.292 270 G HA3 0.675 4.634 3.960 -0.001 0.000 0.292 270 G C -1.949 172.522 174.900 -0.714 0.000 1.375 270 G CA -0.711 44.290 45.100 -0.165 0.000 0.890 270 G HN 0.426 nan 8.290 nan 0.000 0.476 271 Q N -1.298 117.759 119.800 -1.239 0.000 2.528 271 Q HA 0.324 4.664 4.340 -0.001 0.000 0.289 271 Q C 1.677 176.844 176.000 -1.389 0.000 1.091 271 Q CA -0.494 54.491 55.803 -1.363 0.000 0.797 271 Q CB 2.425 30.631 28.738 -0.886 0.000 1.466 271 Q HN 0.891 nan 8.270 nan 0.000 0.436 272 C N -0.150 119.034 119.300 -0.194 0.000 2.363 272 C HA -0.190 4.269 4.460 -0.001 0.000 0.274 272 C C 2.023 176.945 174.990 -0.114 0.000 1.183 272 C CA 1.698 60.803 59.018 0.146 0.000 1.771 272 C CB -1.574 26.693 27.740 0.878 0.000 2.059 272 C HN 1.017 nan 8.230 nan 0.000 0.455 273 W N 1.636 122.931 121.300 -0.010 0.000 2.465 273 W HA 0.213 4.873 4.660 -0.001 0.000 0.268 273 W C 1.748 178.060 176.519 -0.346 0.000 1.242 273 W CA 1.018 58.277 57.345 -0.143 0.000 1.248 273 W CB -0.993 28.408 29.460 -0.098 0.000 1.118 273 W HN 0.194 nan 8.180 nan 0.000 0.587 274 V N 1.148 120.303 119.914 -1.265 0.000 2.719 274 V HA -0.226 3.894 4.120 -0.001 0.000 0.252 274 V C 2.143 178.012 176.094 -0.375 0.000 1.065 274 V CA 1.287 63.121 62.300 -0.776 0.000 1.086 274 V CB -0.939 30.495 31.823 -0.649 0.000 0.700 274 V HN 0.057 nan 8.190 nan 0.000 0.467 275 F N 1.063 120.857 119.950 -0.260 0.000 2.163 275 F HA 0.050 4.577 4.527 -0.001 0.000 0.297 275 F C 2.466 178.188 175.800 -0.129 0.000 1.094 275 F CA 0.716 58.633 58.000 -0.139 0.000 1.290 275 F CB -1.524 37.461 39.000 -0.025 0.000 1.017 275 F HN 0.122 nan 8.300 nan 0.000 0.483 276 A N 0.244 123.088 122.820 0.039 0.000 1.858 276 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 276 A C 2.489 180.000 177.584 -0.122 0.000 1.190 276 A CA 2.024 54.048 52.037 -0.021 0.000 0.617 276 A CB -1.330 17.645 19.000 -0.042 0.000 0.827 276 A HN 0.276 nan 8.150 nan 0.000 0.443 277 A N -0.595 122.053 122.820 -0.287 0.000 1.883 277 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 277 A C 2.222 179.771 177.584 -0.059 0.000 1.186 277 A CA 1.966 53.786 52.037 -0.362 0.000 0.624 277 A CB -1.044 17.189 19.000 -1.278 0.000 0.822 277 A HN 0.450 nan 8.150 nan 0.000 0.444 278 V N -0.282 119.615 119.914 -0.027 0.000 2.490 278 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 278 V C 2.982 179.053 176.094 -0.037 0.000 1.061 278 V CA 1.777 64.090 62.300 0.022 0.000 1.064 278 V CB -1.106 30.701 31.823 -0.027 0.000 0.670 278 V HN 0.633 nan 8.190 nan 0.000 0.461 279 A N -1.163 121.627 122.820 -0.049 0.000 1.898 279 A HA -0.264 4.055 4.320 -0.001 0.000 0.216 279 A C 2.412 179.944 177.584 -0.087 0.000 1.181 279 A CA 1.891 53.889 52.037 -0.064 0.000 0.620 279 A CB -1.161 17.820 19.000 -0.032 0.000 0.819 279 A HN 0.579 nan 8.150 nan 0.000 0.442 280 C N -1.108 118.119 119.300 -0.121 0.000 2.413 280 C HA -0.104 4.356 4.460 -0.001 0.000 0.276 280 C C 2.965 177.814 174.990 -0.235 0.000 1.236 280 C CA 1.996 60.876 59.018 -0.230 0.000 1.735 280 C CB -1.464 26.016 27.740 -0.434 0.000 2.031 280 C HN 0.604 nan 8.230 nan 0.000 0.474 281 T N 0.115 114.597 114.554 -0.119 0.000 2.720 281 T HA -0.146 4.204 4.350 -0.001 0.000 0.268 281 T C 1.713 176.360 174.700 -0.089 0.000 1.037 281 T CA 1.991 64.061 62.100 -0.050 0.000 1.144 281 T CB -0.188 68.730 68.868 0.082 0.000 0.864 281 T HN 0.449 nan 8.240 nan 0.000 0.444 282 V N 0.997 120.859 119.914 -0.086 0.000 2.407 282 V HA -0.017 4.103 4.120 -0.001 0.000 0.245 282 V C 2.399 178.449 176.094 -0.074 0.000 1.041 282 V CA 1.270 63.512 62.300 -0.095 0.000 1.040 282 V CB -0.521 31.230 31.823 -0.120 0.000 0.671 282 V HN 0.411 nan 8.190 nan 0.000 0.455 283 L N -0.715 120.468 121.223 -0.066 0.000 2.072 283 L HA -0.104 4.235 4.340 -0.001 0.000 0.205 283 L C 2.762 179.629 176.870 -0.004 0.000 1.079 283 L CA 1.493 56.315 54.840 -0.030 0.000 0.752 283 L CB -0.610 41.424 42.059 -0.043 0.000 0.906 283 L HN 0.171 nan 8.230 nan 0.000 0.436 284 R N -0.761 119.709 120.500 -0.050 0.000 2.080 284 R HA -0.241 4.098 4.340 -0.001 0.000 0.236 284 R C 2.521 178.837 176.300 0.027 0.000 1.137 284 R CA 1.991 58.074 56.100 -0.028 0.000 0.943 284 R CB -0.933 29.291 30.300 -0.128 0.000 0.846 284 R HN 0.451 nan 8.270 nan 0.000 0.431 285 C N 0.911 120.190 119.300 -0.035 0.000 2.398 285 C HA -0.095 4.365 4.460 -0.001 0.000 0.276 285 C C 2.462 177.530 174.990 0.130 0.000 1.222 285 C CA 0.816 59.852 59.018 0.031 0.000 1.746 285 C CB -0.985 26.732 27.740 -0.039 0.000 2.039 285 C HN 0.446 nan 8.230 nan 0.000 0.470 286 L N 0.035 121.312 121.223 0.090 0.000 2.465 286 L HA 0.160 4.499 4.340 -0.001 0.000 0.224 286 L C 1.994 179.092 176.870 0.379 0.000 1.145 286 L CA 1.279 56.223 54.840 0.173 0.000 0.834 286 L CB -0.677 41.482 42.059 0.168 0.000 0.944 286 L HN 0.685 nan 8.230 nan 0.000 0.451 287 G N 0.265 109.254 108.800 0.316 0.000 2.168 287 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.197 287 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.197 287 G C 0.135 175.163 174.900 0.213 0.000 0.997 287 G CA -0.567 44.743 45.100 0.350 0.000 0.658 287 G HN 0.206 nan 8.290 nan 0.000 0.513 288 I N 2.203 122.828 120.570 0.090 0.000 2.315 288 I HA 0.283 4.452 4.170 -0.001 0.000 0.291 288 I C -2.062 174.053 176.117 -0.004 0.000 1.006 288 I CA -2.321 58.938 61.300 -0.069 0.000 1.265 288 I CB 1.454 39.327 38.000 -0.211 0.000 1.387 288 I HN -0.169 nan 8.210 nan 0.000 0.475 289 P HA 0.024 nan 4.420 nan 0.000 0.260 289 P C -0.797 176.608 177.300 0.176 0.000 1.185 289 P CA 0.470 63.607 63.100 0.061 0.000 0.763 289 P CB 0.377 32.044 31.700 -0.056 0.000 0.776 290 T N 4.031 118.690 114.554 0.175 0.000 2.933 290 T HA 0.640 4.989 4.350 -0.001 0.000 0.305 290 T C -0.598 174.097 174.700 -0.008 0.000 1.092 290 T CA -0.967 61.202 62.100 0.115 0.000 1.008 290 T CB 1.609 70.477 68.868 0.001 0.000 1.102 290 T HN 0.389 nan 8.240 nan 0.000 0.469 291 R N 0.904 121.329 120.500 -0.126 0.000 2.564 291 R HA 0.598 4.937 4.340 -0.001 0.000 0.284 291 R C -3.504 172.687 176.300 -0.181 0.000 1.031 291 R CA -2.253 53.739 56.100 -0.181 0.000 0.904 291 R CB 1.225 31.326 30.300 -0.332 0.000 1.199 291 R HN 0.247 nan 8.270 nan 0.000 0.443 292 P HA 0.112 nan 4.420 nan 0.000 0.271 292 P C -0.567 176.600 177.300 -0.223 0.000 1.233 292 P CA -0.294 62.711 63.100 -0.159 0.000 0.764 292 P CB 0.559 32.192 31.700 -0.111 0.000 0.825 293 I N 0.535 120.872 120.570 -0.388 0.000 2.460 293 I HA 0.641 4.810 4.170 -0.001 0.000 0.298 293 I C -0.650 174.996 176.117 -0.785 0.000 0.989 293 I CA -0.128 60.852 61.300 -0.535 0.000 1.173 293 I CB 2.161 39.829 38.000 -0.553 0.000 1.338 293 I HN 0.044 nan 8.210 nan 0.000 0.456 294 T N 4.804 119.002 114.554 -0.594 0.000 2.823 294 T HA 0.386 4.735 4.350 -0.001 0.000 0.279 294 T C -0.575 173.726 174.700 -0.664 0.000 0.998 294 T CA -0.421 61.309 62.100 -0.616 0.000 0.994 294 T CB 0.887 69.464 68.868 -0.485 0.000 0.960 294 T HN 0.701 nan 8.240 nan 0.000 0.448 295 N N 1.736 120.070 118.700 -0.610 0.000 2.392 295 N HA 0.487 5.227 4.740 -0.001 0.000 0.283 295 N C -1.529 173.884 175.510 -0.163 0.000 1.003 295 N CA -0.718 52.149 53.050 -0.305 0.000 0.892 295 N CB 0.401 38.854 38.487 -0.056 0.000 1.193 295 N HN 0.337 nan 8.380 nan 0.000 0.487 296 F N 2.380 122.430 119.950 0.166 0.000 2.399 296 F HA 0.567 5.094 4.527 -0.001 0.000 0.334 296 F C 0.954 176.906 175.800 0.254 0.000 1.097 296 F CA -0.523 57.658 58.000 0.302 0.000 1.076 296 F CB 1.419 40.628 39.000 0.347 0.000 1.162 296 F HN 0.667 nan 8.300 nan 0.000 0.495 297 A N 2.061 125.178 122.820 0.495 0.000 2.429 297 A HA -0.151 4.169 4.320 -0.001 0.000 0.290 297 A C 0.048 177.768 177.584 0.225 0.000 1.439 297 A CA 0.305 52.537 52.037 0.326 0.000 0.731 297 A CB -1.981 17.110 19.000 0.153 0.000 1.138 297 A HN 0.557 nan 8.150 nan 0.000 0.384 298 S N 0.455 116.309 115.700 0.257 0.000 2.430 298 S HA 0.535 5.004 4.470 -0.001 0.000 0.289 298 S C 1.025 175.644 174.600 0.032 0.000 1.143 298 S CA 0.320 58.615 58.200 0.159 0.000 1.067 298 S CB 0.819 64.128 63.200 0.182 0.000 0.964 298 S HN 1.909 nan 8.310 nan 0.000 0.485 299 A N 3.586 126.409 122.820 0.005 0.000 2.958 299 A HA 0.140 4.459 4.320 -0.001 0.000 0.247 299 A C 1.062 178.562 177.584 -0.139 0.000 1.679 299 A CA 0.088 52.098 52.037 -0.045 0.000 1.345 299 A CB -0.750 18.229 19.000 -0.035 0.000 1.013 299 A HN 0.996 nan 8.150 nan 0.000 0.641 300 H N 1.547 120.335 119.070 -0.470 0.000 2.357 300 H HA -0.150 4.406 4.556 -0.001 0.000 0.301 300 H C 1.843 176.926 175.328 -0.408 0.000 1.082 300 H CA 2.200 57.848 56.048 -0.667 0.000 1.342 300 H CB 0.159 28.964 29.762 -1.596 0.000 1.389 300 H HN 0.737 nan 8.280 nan 0.000 0.511 301 D N -0.176 120.045 120.400 -0.298 0.000 2.158 301 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 301 D C 2.109 178.363 176.300 -0.077 0.000 0.995 301 D CA 1.267 55.227 54.000 -0.068 0.000 0.846 301 D CB -0.780 40.103 40.800 0.139 0.000 0.941 301 D HN 0.332 nan 8.370 nan 0.000 0.456 302 V N 1.245 121.110 119.914 -0.082 0.000 2.828 302 V HA -0.243 3.877 4.120 -0.001 0.000 0.260 302 V C 0.263 176.313 176.094 -0.074 0.000 1.101 302 V CA 1.814 64.078 62.300 -0.060 0.000 1.123 302 V CB -1.297 30.488 31.823 -0.062 0.000 0.704 302 V HN 0.304 nan 8.190 nan 0.000 0.493 303 D N -0.669 119.682 120.400 -0.081 0.000 2.697 303 D HA -0.158 4.481 4.640 -0.001 0.000 0.238 303 D C 1.040 177.279 176.300 -0.101 0.000 1.152 303 D CA 1.320 55.348 54.000 0.046 0.000 0.666 303 D CB -1.260 39.573 40.800 0.054 0.000 1.037 303 D HN 0.749 nan 8.370 nan 0.000 0.423 304 G N -0.021 108.566 108.800 -0.355 0.000 2.189 304 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.267 304 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.267 304 G C 0.290 174.957 174.900 -0.388 0.000 0.975 304 G CA 0.270 44.920 45.100 -0.750 0.000 0.644 304 G HN 0.579 nan 8.290 nan 0.000 0.537 305 N N 0.522 119.092 118.700 -0.216 0.000 2.422 305 N HA 0.350 5.089 4.740 -0.001 0.000 0.264 305 N C 0.895 176.346 175.510 -0.099 0.000 1.063 305 N CA -0.486 52.481 53.050 -0.138 0.000 0.959 305 N CB 1.251 39.684 38.487 -0.090 0.000 1.087 305 N HN -0.030 nan 8.380 nan 0.000 0.483 306 L N 1.075 122.248 121.223 -0.085 0.000 2.610 306 L HA 0.102 4.441 4.340 -0.001 0.000 0.232 306 L C 0.481 177.317 176.870 -0.057 0.000 1.149 306 L CA 0.961 55.763 54.840 -0.062 0.000 0.872 306 L CB -0.652 41.379 42.059 -0.048 0.000 0.992 306 L HN 0.333 nan 8.230 nan 0.000 0.447 307 S N -0.962 114.713 115.700 -0.041 0.000 2.779 307 S HA 0.626 5.095 4.470 -0.001 0.000 0.293 307 S C -0.776 173.826 174.600 0.004 0.000 1.150 307 S CA -0.407 57.786 58.200 -0.011 0.000 1.057 307 S CB 1.994 65.189 63.200 -0.007 0.000 1.021 307 S HN -0.220 nan 8.310 nan 0.000 0.485 308 V N 3.875 123.809 119.914 0.034 0.000 2.638 308 V HA 0.481 4.600 4.120 -0.001 0.000 0.306 308 V C -0.972 175.192 176.094 0.117 0.000 1.052 308 V CA -0.883 61.447 62.300 0.050 0.000 0.885 308 V CB 2.178 34.030 31.823 0.048 0.000 0.999 308 V HN 0.732 nan 8.190 nan 0.000 0.424 309 D N 3.642 124.112 120.400 0.117 0.000 2.303 309 D HA 0.346 4.985 4.640 -0.001 0.000 0.236 309 D C -1.001 175.405 176.300 0.177 0.000 1.068 309 D CA -0.072 54.077 54.000 0.249 0.000 0.830 309 D CB 2.336 43.190 40.800 0.090 0.000 1.109 309 D HN 0.399 nan 8.370 nan 0.000 0.496 310 F N 3.264 123.254 119.950 0.066 0.000 2.334 310 F HA 0.293 4.819 4.527 -0.001 0.000 0.367 310 F C -0.265 175.584 175.800 0.082 0.000 1.115 310 F CA -0.796 57.136 58.000 -0.113 0.000 1.116 310 F CB 0.535 39.145 39.000 -0.649 0.000 1.230 310 F HN 0.119 nan 8.300 nan 0.000 0.484 311 L N 6.847 128.027 121.223 -0.072 0.000 2.281 311 L HA 0.312 4.651 4.340 -0.001 0.000 0.285 311 L C -0.703 176.221 176.870 0.090 0.000 1.074 311 L CA -0.595 54.284 54.840 0.065 0.000 0.817 311 L CB 0.561 42.594 42.059 -0.043 0.000 1.168 311 L HN 0.435 nan 8.230 nan 0.000 0.434 312 L N 3.360 124.735 121.223 0.253 0.000 2.303 312 L HA 0.516 4.855 4.340 -0.001 0.000 0.266 312 L C 0.074 177.045 176.870 0.169 0.000 1.011 312 L CA -0.488 54.505 54.840 0.255 0.000 0.818 312 L CB 1.792 44.072 42.059 0.369 0.000 1.326 312 L HN 0.659 nan 8.230 nan 0.000 0.435 313 N N -0.675 118.105 118.700 0.134 0.000 2.566 313 N HA 0.201 4.940 4.740 -0.001 0.000 0.299 313 N C 0.302 175.872 175.510 0.100 0.000 1.277 313 N CA -0.437 52.672 53.050 0.099 0.000 0.965 313 N CB 0.225 38.755 38.487 0.072 0.000 1.142 313 N HN 0.457 nan 8.380 nan 0.000 0.596 314 E N -0.933 119.314 120.200 0.078 0.000 2.268 314 E HA 0.004 4.353 4.350 -0.001 0.000 0.195 314 E C 0.838 177.475 176.600 0.062 0.000 0.995 314 E CA 0.825 57.266 56.400 0.069 0.000 0.836 314 E CB -0.076 29.657 29.700 0.055 0.000 0.763 314 E HN 0.424 nan 8.360 nan 0.000 0.491 315 R N 0.466 121.004 120.500 0.062 0.000 2.325 315 R HA 0.149 4.489 4.340 -0.001 0.000 0.214 315 R C 0.064 176.405 176.300 0.067 0.000 0.961 315 R CA 0.057 56.191 56.100 0.057 0.000 1.086 315 R CB 0.156 30.486 30.300 0.051 0.000 1.037 315 R HN 0.093 nan 8.270 nan 0.000 0.493 316 L N 1.633 122.906 121.223 0.084 0.000 3.730 316 L HA -0.227 4.113 4.340 -0.001 0.000 0.410 316 L C -0.861 176.087 176.870 0.129 0.000 1.234 316 L CA 1.231 56.131 54.840 0.099 0.000 0.911 316 L CB -1.683 40.415 42.059 0.065 0.000 1.942 316 L HN 0.449 nan 8.230 nan 0.000 0.860 317 E N -0.953 119.331 120.200 0.141 0.000 2.343 317 E HA 0.541 4.890 4.350 -0.001 0.000 0.270 317 E C 0.242 176.948 176.600 0.177 0.000 0.895 317 E CA -0.488 56.005 56.400 0.154 0.000 0.767 317 E CB 1.400 31.162 29.700 0.103 0.000 1.248 317 E HN 0.234 nan 8.360 nan 0.000 0.440 318 S N 1.223 117.043 115.700 0.200 0.000 2.558 318 S HA 0.006 4.476 4.470 -0.001 0.000 0.288 318 S C 1.261 175.887 174.600 0.044 0.000 1.318 318 S CA -0.455 57.818 58.200 0.122 0.000 1.056 318 S CB 0.350 63.601 63.200 0.085 0.000 0.853 318 S HN 0.582 nan 8.310 nan 0.000 0.505 319 L N 0.307 121.526 121.223 -0.008 0.000 2.129 319 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 319 L C 1.114 177.976 176.870 -0.013 0.000 1.087 319 L CA 1.447 56.281 54.840 -0.009 0.000 0.757 319 L CB -0.425 41.613 42.059 -0.036 0.000 0.896 319 L HN 0.723 nan 8.230 nan 0.000 0.434 320 D N -0.882 119.500 120.400 -0.029 0.000 2.412 320 D HA 0.079 4.718 4.640 -0.001 0.000 0.224 320 D C 1.199 177.499 176.300 -0.001 0.000 1.093 320 D CA 0.046 54.034 54.000 -0.020 0.000 0.850 320 D CB 1.328 42.106 40.800 -0.036 0.000 1.046 320 D HN 0.041 nan 8.370 nan 0.000 0.507 321 S N 3.992 119.698 115.700 0.009 0.000 2.440 321 S HA -0.251 4.218 4.470 -0.001 0.000 0.240 321 S C 1.638 176.247 174.600 0.015 0.000 1.014 321 S CA 0.789 59.000 58.200 0.019 0.000 0.980 321 S CB -0.135 63.075 63.200 0.016 0.000 0.775 321 S HN 0.536 nan 8.310 nan 0.000 0.499 322 R N 0.903 121.407 120.500 0.006 0.000 2.090 322 R HA 0.127 4.466 4.340 -0.001 0.000 0.228 322 R C 0.851 177.155 176.300 0.007 0.000 1.110 322 R CA 0.776 56.879 56.100 0.004 0.000 0.973 322 R CB -0.289 30.010 30.300 -0.003 0.000 0.869 322 R HN 0.481 nan 8.270 nan 0.000 0.440 323 Q N 0.924 120.727 119.800 0.005 0.000 2.271 323 Q HA 0.034 4.374 4.340 -0.001 0.000 0.273 323 Q C 0.629 176.651 176.000 0.037 0.000 1.051 323 Q CA 0.308 56.118 55.803 0.012 0.000 0.901 323 Q CB 0.901 29.635 28.738 -0.007 0.000 1.174 323 Q HN 0.145 nan 8.270 nan 0.000 0.385 324 R N 0.809 121.330 120.500 0.035 0.000 2.223 324 R HA 0.123 4.463 4.340 -0.001 0.000 0.198 324 R C 0.012 176.346 176.300 0.057 0.000 0.984 324 R CA 0.069 56.193 56.100 0.040 0.000 1.018 324 R CB 0.652 30.961 30.300 0.014 0.000 0.945 324 R HN 0.413 nan 8.270 nan 0.000 0.479 325 S N 1.317 117.058 115.700 0.069 0.000 2.528 325 S HA 0.024 4.493 4.470 -0.001 0.000 0.277 325 S C -0.273 174.440 174.600 0.188 0.000 1.297 325 S CA -0.186 58.069 58.200 0.091 0.000 1.052 325 S CB 1.154 64.409 63.200 0.093 0.000 0.917 325 S HN 0.053 nan 8.310 nan 0.000 0.492 326 D N 2.245 122.738 120.400 0.156 0.000 2.590 326 D HA 0.419 5.059 4.640 -0.001 0.000 0.280 326 D C 0.504 176.864 176.300 0.101 0.000 1.197 326 D CA 0.162 54.266 54.000 0.173 0.000 0.967 326 D CB -0.220 40.654 40.800 0.125 0.000 0.987 326 D HN 0.457 nan 8.370 nan 0.000 0.508 327 S N 0.401 116.171 115.700 0.117 0.000 3.245 327 S HA -0.223 4.246 4.470 -0.001 0.000 0.631 327 S C -0.092 174.629 174.600 0.202 0.000 2.821 327 S CA 0.642 58.884 58.200 0.070 0.000 3.266 327 S CB -0.999 62.118 63.200 -0.139 0.000 0.314 327 S HN 0.449 nan 8.310 nan 0.000 1.621 328 S N 1.730 117.545 115.700 0.192 0.000 2.573 328 S HA 0.025 4.495 4.470 -0.001 0.000 0.297 328 S C -0.021 174.821 174.600 0.402 0.000 1.280 328 S CA 0.417 58.781 58.200 0.272 0.000 1.061 328 S CB -0.186 63.137 63.200 0.206 0.000 0.812 328 S HN 0.422 nan 8.310 nan 0.000 0.500 329 W N 2.237 123.579 121.300 0.070 0.000 2.137 329 W HA 0.197 4.857 4.660 -0.001 0.000 0.344 329 W C 1.395 178.015 176.519 0.168 0.000 1.286 329 W CA -1.120 56.250 57.345 0.042 0.000 1.240 329 W CB -0.426 29.008 29.460 -0.043 0.000 1.141 329 W HN 0.593 nan 8.180 nan 0.000 0.579 330 N N 0.854 119.790 118.700 0.392 0.000 2.223 330 N HA -0.069 4.670 4.740 -0.001 0.000 0.185 330 N C -0.146 175.756 175.510 0.653 0.000 1.016 330 N CA 1.295 54.636 53.050 0.486 0.000 0.863 330 N CB -0.201 38.558 38.487 0.454 0.000 0.983 330 N HN 0.368 nan 8.380 nan 0.000 0.429 331 F N -3.150 117.109 119.950 0.514 0.000 2.807 331 F HA 0.543 5.069 4.527 -0.001 0.000 0.316 331 F C -1.290 174.819 175.800 0.516 0.000 1.162 331 F CA -1.341 56.809 58.000 0.250 0.000 0.910 331 F CB 1.218 40.093 39.000 -0.208 0.000 1.314 331 F HN -0.107 nan 8.300 nan 0.000 0.454 332 H N 0.382 119.634 119.070 0.304 0.000 3.086 332 H HA 0.684 5.239 4.556 -0.001 0.000 0.353 332 H C -1.884 173.565 175.328 0.202 0.000 1.134 332 H CA -1.119 55.113 56.048 0.306 0.000 1.248 332 H CB 1.755 31.596 29.762 0.133 0.000 1.878 332 H HN 1.115 nan 8.280 nan 0.000 0.527 333 C N 4.379 123.576 119.300 -0.172 0.000 2.435 333 C HA 0.778 5.237 4.460 -0.001 0.000 0.333 333 C C -0.581 174.205 174.990 -0.340 0.000 1.202 333 C CA -0.406 58.416 59.018 -0.326 0.000 1.830 333 C CB -0.697 27.041 27.740 -0.003 0.000 2.326 333 C HN 0.893 nan 8.230 nan 0.000 0.507 334 W N 0.381 121.523 121.300 -0.263 0.000 3.305 334 W HA 0.851 5.510 4.660 -0.001 0.000 0.398 334 W C -1.804 174.657 176.519 -0.096 0.000 1.077 334 W CA -0.906 56.340 57.345 -0.164 0.000 1.137 334 W CB 0.025 29.400 29.460 -0.143 0.000 1.501 334 W HN 0.434 nan 8.180 nan 0.000 0.612 335 V N 0.781 120.890 119.914 0.324 0.000 2.925 335 V HA 0.428 4.548 4.120 -0.001 0.000 0.311 335 V C -1.159 175.095 176.094 0.266 0.000 1.104 335 V CA -0.944 61.443 62.300 0.144 0.000 0.954 335 V CB 2.026 33.886 31.823 0.062 0.000 1.022 335 V HN 0.577 nan 8.190 nan 0.000 0.427 336 E N 1.629 121.909 120.200 0.134 0.000 2.171 336 E HA 0.629 4.978 4.350 -0.001 0.000 0.271 336 E C -1.201 175.588 176.600 0.316 0.000 0.916 336 E CA -0.247 56.277 56.400 0.206 0.000 0.774 336 E CB 1.908 31.589 29.700 -0.033 0.000 1.128 336 E HN 0.641 nan 8.360 nan 0.000 0.403 337 S N 2.839 118.755 115.700 0.360 0.000 2.500 337 S HA 0.301 4.770 4.470 -0.001 0.000 0.301 337 S C -1.381 173.347 174.600 0.213 0.000 1.092 337 S CA -0.781 57.591 58.200 0.288 0.000 1.030 337 S CB 0.935 64.186 63.200 0.085 0.000 1.031 337 S HN 0.478 nan 8.310 nan 0.000 0.483 338 W N 6.793 127.967 121.300 -0.211 0.000 2.322 338 W HA 0.589 5.248 4.660 -0.001 0.000 0.307 338 W C -0.814 175.501 176.519 -0.340 0.000 1.220 338 W CA -0.520 56.490 57.345 -0.559 0.000 1.210 338 W CB 0.596 29.497 29.460 -0.932 0.000 1.223 338 W HN 0.750 nan 8.180 nan 0.000 0.511 339 M N 3.929 123.126 119.600 -0.671 0.000 2.755 339 M HA 0.265 4.744 4.480 -0.001 0.000 0.276 339 M C -1.306 174.709 176.300 -0.474 0.000 1.129 339 M CA -0.666 54.396 55.300 -0.396 0.000 0.832 339 M CB 1.444 33.908 32.600 -0.226 0.000 1.700 339 M HN 0.214 nan 8.290 nan 0.000 0.518 340 S N 1.233 116.774 115.700 -0.264 0.000 2.585 340 S HA 0.653 5.123 4.470 -0.001 0.000 0.277 340 S C -0.387 174.133 174.600 -0.133 0.000 1.241 340 S CA -0.804 57.270 58.200 -0.210 0.000 1.041 340 S CB 1.147 64.289 63.200 -0.097 0.000 0.987 340 S HN 0.737 nan 8.310 nan 0.000 0.512 341 R N 2.359 122.785 120.500 -0.123 0.000 2.937 341 R HA 0.259 4.598 4.340 -0.001 0.000 0.264 341 R C 0.346 176.617 176.300 -0.048 0.000 1.334 341 R CA -0.158 55.898 56.100 -0.074 0.000 1.516 341 R CB -0.118 30.132 30.300 -0.083 0.000 1.187 341 R HN 0.830 nan 8.270 nan 0.000 0.609 342 E N 0.759 120.945 120.200 -0.024 0.000 2.409 342 E HA -0.140 4.209 4.350 -0.001 0.000 0.198 342 E C 0.517 177.111 176.600 -0.010 0.000 1.024 342 E CA 0.856 57.249 56.400 -0.012 0.000 0.861 342 E CB 0.365 30.068 29.700 0.005 0.000 0.788 342 E HN 0.479 nan 8.360 nan 0.000 0.521 343 D N 0.337 120.732 120.400 -0.009 0.000 2.349 343 D HA -0.033 4.606 4.640 -0.001 0.000 0.224 343 D C 0.653 176.925 176.300 -0.047 0.000 1.029 343 D CA 0.269 54.260 54.000 -0.015 0.000 0.879 343 D CB 0.046 40.848 40.800 0.004 0.000 0.906 343 D HN 0.125 nan 8.370 nan 0.000 0.528 344 L N -1.237 119.956 121.223 -0.050 0.000 2.341 344 L HA 0.515 4.854 4.340 -0.001 0.000 0.254 344 L C -2.523 174.318 176.870 -0.049 0.000 1.040 344 L CA -2.577 52.226 54.840 -0.062 0.000 0.837 344 L CB 1.117 43.129 42.059 -0.077 0.000 1.425 344 L HN -0.395 nan 8.230 nan 0.000 0.414 345 P HA -0.010 nan 4.420 nan 0.000 0.270 345 P C -0.743 176.534 177.300 -0.038 0.000 1.221 345 P CA -0.242 62.836 63.100 -0.037 0.000 0.788 345 P CB 0.377 32.056 31.700 -0.035 0.000 0.904 346 E N 0.100 120.282 120.200 -0.030 0.000 2.465 346 E HA 0.268 4.618 4.350 -0.001 0.000 0.260 346 E C 1.219 177.799 176.600 -0.035 0.000 0.980 346 E CA 1.796 58.178 56.400 -0.030 0.000 0.927 346 E CB -0.507 29.181 29.700 -0.020 0.000 0.934 346 E HN 0.665 nan 8.360 nan 0.000 0.459 347 G N 3.928 112.701 108.800 -0.045 0.000 2.211 347 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.201 347 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.201 347 G C 0.468 175.327 174.900 -0.070 0.000 0.997 347 G CA 0.083 45.154 45.100 -0.048 0.000 0.652 347 G HN 0.580 nan 8.290 nan 0.000 0.500 348 N N 1.415 120.065 118.700 -0.084 0.000 2.251 348 N HA 0.165 4.904 4.740 -0.001 0.000 0.217 348 N C -0.501 174.911 175.510 -0.164 0.000 1.124 348 N CA 0.028 53.016 53.050 -0.103 0.000 0.843 348 N CB 0.533 38.972 38.487 -0.080 0.000 1.024 348 N HN 0.374 nan 8.380 nan 0.000 0.501 349 D N 0.347 120.628 120.400 -0.198 0.000 2.344 349 D HA 0.501 5.140 4.640 -0.001 0.000 0.244 349 D C 1.382 177.362 176.300 -0.533 0.000 1.134 349 D CA 0.759 54.567 54.000 -0.320 0.000 0.930 349 D CB 1.036 41.682 40.800 -0.256 0.000 1.175 349 D HN 0.283 nan 8.370 nan 0.000 0.437 350 G N -0.245 107.970 108.800 -0.976 0.000 2.378 350 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.198 350 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.198 350 G C -1.199 172.953 174.900 -1.247 0.000 1.223 350 G CA -0.725 43.359 45.100 -1.694 0.000 1.088 350 G HN 0.406 nan 8.290 nan 0.000 0.530 351 W N 2.178 123.095 121.300 -0.638 0.000 2.251 351 W HA 0.529 5.188 4.660 -0.001 0.000 0.327 351 W C 0.715 177.123 176.519 -0.186 0.000 1.361 351 W CA -0.063 57.143 57.345 -0.231 0.000 1.234 351 W CB 0.624 30.056 29.460 -0.047 0.000 1.212 351 W HN 0.407 nan 8.180 nan 0.000 0.557 352 Q N 2.400 122.295 119.800 0.158 0.000 2.353 352 Q HA 0.414 4.753 4.340 -0.001 0.000 0.268 352 Q C -0.851 175.245 176.000 0.161 0.000 1.045 352 Q CA -1.138 54.721 55.803 0.093 0.000 0.811 352 Q CB 2.231 30.982 28.738 0.022 0.000 1.305 352 Q HN 0.227 nan 8.270 nan 0.000 0.447 353 V N 3.148 123.142 119.914 0.133 0.000 2.461 353 V HA 0.186 4.306 4.120 -0.001 0.000 0.275 353 V C -0.425 175.700 176.094 0.052 0.000 1.047 353 V CA -0.408 61.968 62.300 0.126 0.000 0.955 353 V CB 0.926 32.733 31.823 -0.025 0.000 0.988 353 V HN 0.489 nan 8.190 nan 0.000 0.471 354 L N 4.998 126.279 121.223 0.098 0.000 2.342 354 L HA 0.533 4.872 4.340 -0.001 0.000 0.276 354 L C -0.414 176.511 176.870 0.091 0.000 0.997 354 L CA -0.288 54.583 54.840 0.051 0.000 0.838 354 L CB 1.371 43.456 42.059 0.045 0.000 1.224 354 L HN 0.590 nan 8.230 nan 0.000 0.416 355 D N 5.739 126.166 120.400 0.045 0.000 2.427 355 D HA 0.410 5.049 4.640 -0.001 0.000 0.226 355 D C -1.846 174.523 176.300 0.116 0.000 1.076 355 D CA -1.860 52.214 54.000 0.123 0.000 0.849 355 D CB 2.368 43.213 40.800 0.075 0.000 1.052 355 D HN 0.193 nan 8.370 nan 0.000 0.515 356 P HA -0.009 nan 4.420 nan 0.000 0.225 356 P C 0.139 177.493 177.300 0.090 0.000 1.156 356 P CA 0.439 63.583 63.100 0.073 0.000 0.787 356 P CB 0.117 31.867 31.700 0.082 0.000 0.802 357 T N 2.957 117.704 114.554 0.322 0.000 2.784 357 T HA 0.165 4.514 4.350 -0.001 0.000 0.291 357 T C -2.311 172.534 174.700 0.240 0.000 0.942 357 T CA -0.866 61.490 62.100 0.427 0.000 1.161 357 T CB -0.247 68.950 68.868 0.547 0.000 0.885 357 T HN 0.013 nan 8.240 nan 0.000 0.534 358 P HA 0.087 nan 4.420 nan 0.000 0.268 358 P C -0.214 177.143 177.300 0.095 0.000 1.208 358 P CA -0.403 62.747 63.100 0.084 0.000 0.777 358 P CB 0.453 32.174 31.700 0.035 0.000 0.875 359 Q N 2.169 121.955 119.800 -0.023 0.000 2.314 359 Q HA 0.006 4.346 4.340 -0.001 0.000 0.258 359 Q C 1.198 177.094 176.000 -0.173 0.000 0.954 359 Q CA 0.326 56.035 55.803 -0.156 0.000 0.890 359 Q CB 0.059 28.584 28.738 -0.355 0.000 1.210 359 Q HN 0.326 nan 8.270 nan 0.000 0.410 360 E N 2.378 122.406 120.200 -0.286 0.000 2.242 360 E HA -0.258 4.092 4.350 -0.001 0.000 0.247 360 E C 0.590 177.125 176.600 -0.108 0.000 1.056 360 E CA 1.713 57.991 56.400 -0.203 0.000 0.999 360 E CB -0.145 29.415 29.700 -0.233 0.000 0.891 360 E HN 0.502 nan 8.360 nan 0.000 0.512 361 L N 0.432 121.616 121.223 -0.065 0.000 2.805 361 L HA 0.174 4.513 4.340 -0.001 0.000 0.237 361 L C 0.320 177.145 176.870 -0.076 0.000 1.252 361 L CA 0.330 55.142 54.840 -0.046 0.000 1.064 361 L CB -0.334 41.725 42.059 -0.000 0.000 1.361 361 L HN -0.116 nan 8.230 nan 0.000 0.474 362 S N 0.910 116.501 115.700 -0.181 0.000 2.496 362 S HA 0.140 4.609 4.470 -0.001 0.000 0.221 362 S C -0.477 173.891 174.600 -0.386 0.000 1.260 362 S CA -0.923 57.058 58.200 -0.364 0.000 1.181 362 S CB 0.242 62.954 63.200 -0.812 0.000 1.136 362 S HN 0.521 nan 8.310 nan 0.000 0.467 363 D N 3.419 123.679 120.400 -0.233 0.000 2.659 363 D HA -0.010 4.629 4.640 -0.001 0.000 0.264 363 D C 1.095 177.311 176.300 -0.140 0.000 1.329 363 D CA 1.062 54.973 54.000 -0.148 0.000 0.963 363 D CB -0.336 40.416 40.800 -0.080 0.000 1.136 363 D HN 0.916 nan 8.370 nan 0.000 0.554 364 G N 2.996 111.744 108.800 -0.087 0.000 2.379 364 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.297 364 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.297 364 G C 0.659 175.496 174.900 -0.106 0.000 1.004 364 G CA 0.513 45.595 45.100 -0.031 0.000 0.921 364 G HN 0.641 nan 8.290 nan 0.000 0.511 365 E N -1.304 118.753 120.200 -0.239 0.000 2.306 365 E HA 0.167 4.517 4.350 -0.001 0.000 0.201 365 E C 0.531 177.031 176.600 -0.167 0.000 0.874 365 E CA 0.174 56.374 56.400 -0.334 0.000 0.972 365 E CB 0.395 29.680 29.700 -0.692 0.000 0.957 365 E HN 0.546 nan 8.360 nan 0.000 0.492 366 F N 2.222 122.107 119.950 -0.109 0.000 2.332 366 F HA 0.210 4.737 4.527 -0.001 0.000 0.368 366 F C 1.030 176.737 175.800 -0.154 0.000 1.110 366 F CA -1.320 56.588 58.000 -0.153 0.000 1.087 366 F CB 0.560 39.423 39.000 -0.229 0.000 1.235 366 F HN 0.015 nan 8.300 nan 0.000 0.470 367 C N 1.154 120.492 119.300 0.064 0.000 2.563 367 C HA 0.652 5.112 4.460 -0.001 0.000 0.358 367 C C 0.359 175.323 174.990 -0.043 0.000 1.336 367 C CA -0.874 58.143 59.018 -0.002 0.000 2.454 367 C CB 0.502 28.217 27.740 -0.041 0.000 2.448 367 C HN 0.869 nan 8.230 nan 0.000 0.670 368 C N 2.022 121.301 119.300 -0.036 0.000 2.456 368 C HA 0.933 5.393 4.460 -0.001 0.000 0.325 368 C C 0.873 175.834 174.990 -0.048 0.000 1.217 368 C CA 1.260 60.249 59.018 -0.049 0.000 1.687 368 C CB 0.295 28.015 27.740 -0.033 0.000 2.270 368 C HN 1.904 nan 8.230 nan 0.000 0.499 369 G N 4.285 113.074 108.800 -0.019 0.000 2.728 369 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.294 369 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.294 369 G C -3.092 171.746 174.900 -0.104 0.000 1.342 369 G CA -0.938 44.169 45.100 0.012 0.000 0.866 369 G HN 0.568 nan 8.290 nan 0.000 0.534 370 P HA 0.395 nan 4.420 nan 0.000 0.271 370 P C -0.077 177.332 177.300 0.181 0.000 1.233 370 P CA 0.214 63.369 63.100 0.091 0.000 0.764 370 P CB 1.000 32.744 31.700 0.073 0.000 0.825 371 C N 6.659 126.019 119.300 0.099 0.000 2.319 371 C HA 0.494 4.953 4.460 -0.001 0.000 0.323 371 C C -2.557 172.462 174.990 0.047 0.000 1.277 371 C CA -2.671 56.394 59.018 0.078 0.000 1.517 371 C CB 0.696 28.475 27.740 0.066 0.000 2.206 371 C HN 0.399 nan 8.230 nan 0.000 0.486 372 P HA 0.008 nan 4.420 nan 0.000 0.260 372 P C 0.776 178.079 177.300 0.005 0.000 1.185 372 P CA 0.464 63.556 63.100 -0.014 0.000 0.763 372 P CB 0.574 32.250 31.700 -0.039 0.000 0.776 373 V N 3.708 123.615 119.914 -0.011 0.000 2.720 373 V HA -0.269 3.851 4.120 -0.001 0.000 0.256 373 V C 2.185 178.222 176.094 -0.094 0.000 1.082 373 V CA 2.487 64.737 62.300 -0.083 0.000 1.101 373 V CB -1.353 30.329 31.823 -0.235 0.000 0.693 373 V HN 0.629 nan 8.190 nan 0.000 0.479 374 A N -0.057 122.724 122.820 -0.066 0.000 1.968 374 A HA 0.072 4.391 4.320 -0.001 0.000 0.217 374 A C 2.387 179.974 177.584 0.005 0.000 1.169 374 A CA 1.507 53.514 52.037 -0.050 0.000 0.638 374 A CB -0.455 18.509 19.000 -0.060 0.000 0.812 374 A HN 0.539 nan 8.150 nan 0.000 0.446 375 A N -0.080 122.752 122.820 0.021 0.000 1.968 375 A HA 0.038 4.358 4.320 -0.001 0.000 0.217 375 A C 1.929 179.592 177.584 0.132 0.000 1.169 375 A CA 1.331 53.398 52.037 0.050 0.000 0.638 375 A CB -0.357 18.660 19.000 0.029 0.000 0.812 375 A HN 0.389 nan 8.150 nan 0.000 0.446 376 I N -0.227 120.441 120.570 0.163 0.000 2.193 376 I HA -0.139 4.031 4.170 -0.001 0.000 0.240 376 I C 2.359 178.657 176.117 0.300 0.000 1.084 376 I CA 1.273 62.762 61.300 0.314 0.000 1.365 376 I CB -1.181 36.985 38.000 0.276 0.000 1.064 376 I HN 0.225 nan 8.210 nan 0.000 0.410 377 K N 1.010 121.486 120.400 0.127 0.000 2.074 377 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 377 K C 1.658 178.352 176.600 0.156 0.000 1.048 377 K CA 1.531 57.841 56.287 0.037 0.000 0.926 377 K CB -0.019 32.408 32.500 -0.122 0.000 0.713 377 K HN 0.274 nan 8.250 nan 0.000 0.444 378 E N -1.022 119.283 120.200 0.175 0.000 2.479 378 E HA 0.065 4.415 4.350 -0.001 0.000 0.193 378 E C 0.694 177.415 176.600 0.202 0.000 1.049 378 E CA 0.588 57.118 56.400 0.218 0.000 0.870 378 E CB 0.228 30.010 29.700 0.135 0.000 0.944 378 E HN 0.489 nan 8.360 nan 0.000 0.492 379 G N 2.700 111.649 108.800 0.248 0.000 2.182 379 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.248 379 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.248 379 G C 0.016 174.869 174.900 -0.079 0.000 1.042 379 G CA 0.328 45.481 45.100 0.087 0.000 0.775 379 G HN 0.234 nan 8.290 nan 0.000 0.501 380 N N 0.075 118.764 118.700 -0.019 0.000 2.500 380 N HA 0.449 5.189 4.740 -0.001 0.000 0.236 380 N C 1.165 176.631 175.510 -0.074 0.000 1.022 380 N CA -0.888 52.130 53.050 -0.053 0.000 0.935 380 N CB 0.659 39.133 38.487 -0.022 0.000 1.147 380 N HN -0.014 nan 8.380 nan 0.000 0.512 381 L N 2.561 123.703 121.223 -0.136 0.000 2.591 381 L HA 0.328 4.668 4.340 -0.001 0.000 0.228 381 L C 1.968 178.790 176.870 -0.081 0.000 1.133 381 L CA 0.377 55.143 54.840 -0.123 0.000 0.880 381 L CB -0.404 41.535 42.059 -0.200 0.000 1.033 381 L HN 0.713 nan 8.230 nan 0.000 0.450 382 G N -0.762 107.993 108.800 -0.075 0.000 2.985 382 G HA2 0.202 4.161 3.960 -0.001 0.000 0.209 382 G HA3 0.202 4.161 3.960 -0.001 0.000 0.209 382 G C 0.482 175.338 174.900 -0.072 0.000 1.165 382 G CA 0.496 45.556 45.100 -0.067 0.000 0.776 382 G HN 0.185 nan 8.290 nan 0.000 0.541 383 V N -1.650 118.220 119.914 -0.072 0.000 2.612 383 V HA 0.643 4.762 4.120 -0.001 0.000 0.301 383 V C -0.128 175.885 176.094 -0.136 0.000 1.046 383 V CA -1.769 60.470 62.300 -0.102 0.000 0.946 383 V CB 1.559 33.331 31.823 -0.084 0.000 1.003 383 V HN 0.309 nan 8.190 nan 0.000 0.459 384 K N 2.478 122.718 120.400 -0.266 0.000 2.237 384 K HA 0.518 4.838 4.320 -0.001 0.000 0.270 384 K C -1.469 174.927 176.600 -0.341 0.000 1.015 384 K CA -0.372 55.631 56.287 -0.472 0.000 0.949 384 K CB 0.493 32.351 32.500 -1.071 0.000 0.976 384 K HN 0.741 nan 8.250 nan 0.000 0.472 385 Y N 0.290 120.578 120.300 -0.019 0.000 2.409 385 Y HA 0.151 4.701 4.550 -0.001 0.000 0.343 385 Y C -0.324 175.570 175.900 -0.011 0.000 0.973 385 Y CA -0.933 57.153 58.100 -0.024 0.000 1.064 385 Y CB 1.615 40.050 38.460 -0.041 0.000 1.207 385 Y HN 0.771 nan 8.280 nan 0.000 0.452 386 D N 0.678 121.176 120.400 0.163 0.000 2.772 386 D HA -0.256 4.384 4.640 -0.001 0.000 0.233 386 D C 1.195 177.600 176.300 0.175 0.000 1.143 386 D CA 0.846 54.947 54.000 0.168 0.000 0.700 386 D CB -1.097 39.763 40.800 0.100 0.000 1.076 386 D HN 0.791 nan 8.370 nan 0.000 0.430 387 A N -0.142 122.745 122.820 0.111 0.000 1.908 387 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 387 A C -0.079 177.565 177.584 0.101 0.000 1.181 387 A CA 1.760 53.852 52.037 0.091 0.000 0.627 387 A CB -0.960 18.065 19.000 0.040 0.000 0.818 387 A HN 0.321 nan 8.150 nan 0.000 0.445 388 P HA -0.108 nan 4.420 nan 0.000 0.216 388 P C 1.047 178.272 177.300 -0.124 0.000 1.153 388 P CA 0.967 64.022 63.100 -0.075 0.000 0.848 388 P CB -0.175 31.416 31.700 -0.181 0.000 0.787 389 F N -0.989 118.964 119.950 0.004 0.000 2.186 389 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 389 F C 2.246 178.020 175.800 -0.044 0.000 1.090 389 F CA 1.119 59.101 58.000 -0.029 0.000 1.307 389 F CB -1.175 37.797 39.000 -0.047 0.000 1.019 389 F HN -0.287 nan 8.300 nan 0.000 0.489 390 V N -0.987 119.002 119.914 0.126 0.000 2.719 390 V HA -0.250 3.869 4.120 -0.001 0.000 0.252 390 V C 1.982 178.084 176.094 0.014 0.000 1.065 390 V CA 1.252 63.536 62.300 -0.028 0.000 1.086 390 V CB -0.759 31.023 31.823 -0.067 0.000 0.700 390 V HN 0.311 nan 8.190 nan 0.000 0.467 391 F N 1.503 121.430 119.950 -0.038 0.000 2.259 391 F HA 0.019 4.545 4.527 -0.001 0.000 0.298 391 F C 2.233 178.010 175.800 -0.038 0.000 1.088 391 F CA 1.114 59.110 58.000 -0.006 0.000 1.358 391 F CB -0.238 38.761 39.000 -0.002 0.000 1.040 391 F HN 0.077 nan 8.300 nan 0.000 0.505 392 A N 0.065 122.935 122.820 0.084 0.000 1.898 392 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 392 A C 2.020 179.555 177.584 -0.080 0.000 1.181 392 A CA 1.591 53.614 52.037 -0.023 0.000 0.620 392 A CB -0.951 17.992 19.000 -0.095 0.000 0.819 392 A HN 0.447 nan 8.150 nan 0.000 0.442 393 E N -0.409 119.746 120.200 -0.074 0.000 2.147 393 E HA -0.170 4.180 4.350 -0.001 0.000 0.199 393 E C 1.436 178.014 176.600 -0.037 0.000 1.005 393 E CA 1.899 58.264 56.400 -0.059 0.000 0.810 393 E CB -0.259 29.378 29.700 -0.106 0.000 0.736 393 E HN 0.229 nan 8.360 nan 0.000 0.460 394 V N -0.012 119.843 119.914 -0.099 0.000 3.661 394 V HA 0.168 4.288 4.120 -0.001 0.000 0.271 394 V C 0.663 176.671 176.094 -0.142 0.000 1.315 394 V CA 0.632 62.877 62.300 -0.092 0.000 1.072 394 V CB 0.043 31.799 31.823 -0.112 0.000 0.830 394 V HN 0.278 nan 8.190 nan 0.000 0.443 395 N N -0.029 118.536 118.700 -0.225 0.000 2.168 395 N HA 0.274 5.013 4.740 -0.001 0.000 0.216 395 N C 0.760 176.162 175.510 -0.181 0.000 1.259 395 N CA 0.560 53.466 53.050 -0.240 0.000 0.902 395 N CB 0.869 39.009 38.487 -0.578 0.000 1.079 395 N HN 0.318 nan 8.380 nan 0.000 0.507 396 A N 1.248 123.997 122.820 -0.118 0.000 2.587 396 A HA -0.024 4.295 4.320 -0.001 0.000 0.235 396 A C -0.089 177.454 177.584 -0.070 0.000 1.044 396 A CA 0.592 52.579 52.037 -0.083 0.000 0.754 396 A CB -0.103 18.862 19.000 -0.058 0.000 0.968 396 A HN 0.111 nan 8.150 nan 0.000 0.509 397 D N 1.286 121.647 120.400 -0.064 0.000 2.412 397 D HA 0.430 5.069 4.640 -0.001 0.000 0.224 397 D C -0.542 175.768 176.300 0.017 0.000 1.093 397 D CA 0.328 54.312 54.000 -0.027 0.000 0.850 397 D CB 0.661 41.439 40.800 -0.036 0.000 1.046 397 D HN 0.319 nan 8.370 nan 0.000 0.507 398 T N 4.741 119.315 114.554 0.034 0.000 2.743 398 T HA 0.440 4.789 4.350 -0.001 0.000 0.292 398 T C 0.102 174.855 174.700 0.089 0.000 0.972 398 T CA -0.437 61.692 62.100 0.048 0.000 0.967 398 T CB 0.270 69.136 68.868 -0.003 0.000 0.926 398 T HN 0.295 nan 8.240 nan 0.000 0.459 399 I N 4.332 124.983 120.570 0.135 0.000 2.362 399 I HA 0.347 4.517 4.170 -0.001 0.000 0.289 399 I C -0.655 175.550 176.117 0.147 0.000 0.994 399 I CA -0.921 60.451 61.300 0.119 0.000 1.158 399 I CB 1.113 39.202 38.000 0.149 0.000 1.315 399 I HN 0.553 nan 8.210 nan 0.000 0.451 400 Y N 4.670 124.942 120.300 -0.047 0.000 2.309 400 Y HA 0.265 4.815 4.550 -0.001 0.000 0.327 400 Y C -0.577 175.242 175.900 -0.136 0.000 1.172 400 Y CA 0.255 58.408 58.100 0.089 0.000 1.280 400 Y CB 0.934 39.425 38.460 0.051 0.000 1.234 400 Y HN 0.428 nan 8.280 nan 0.000 0.512 401 W N 3.384 124.863 121.300 0.299 0.000 3.022 401 W HA 0.537 5.196 4.660 -0.001 0.000 0.335 401 W C -1.333 175.283 176.519 0.161 0.000 1.133 401 W CA -0.755 56.698 57.345 0.180 0.000 1.219 401 W CB 1.046 30.572 29.460 0.109 0.000 1.409 401 W HN 0.113 nan 8.180 nan 0.000 0.507 402 I N 4.104 124.880 120.570 0.343 0.000 2.291 402 I HA 0.190 4.359 4.170 -0.001 0.000 0.290 402 I C -0.330 175.915 176.117 0.212 0.000 1.050 402 I CA -0.693 60.744 61.300 0.229 0.000 1.245 402 I CB 0.205 38.297 38.000 0.154 0.000 1.405 402 I HN 0.078 nan 8.210 nan 0.000 0.478 403 V N 7.387 127.402 119.914 0.168 0.000 2.370 403 V HA 0.235 4.355 4.120 -0.001 0.000 0.279 403 V C 0.413 176.554 176.094 0.077 0.000 1.029 403 V CA -0.714 61.651 62.300 0.108 0.000 0.870 403 V CB 1.289 33.148 31.823 0.061 0.000 0.984 403 V HN 0.693 nan 8.190 nan 0.000 0.451 404 Q N 3.337 123.177 119.800 0.065 0.000 2.396 404 Q HA 0.304 4.643 4.340 -0.001 0.000 0.221 404 Q C 0.625 176.644 176.000 0.032 0.000 1.025 404 Q CA -0.799 55.033 55.803 0.049 0.000 0.946 404 Q CB 0.820 29.587 28.738 0.048 0.000 1.224 404 Q HN 0.382 nan 8.270 nan 0.000 0.539 405 K N 1.105 121.521 120.400 0.027 0.000 2.442 405 K HA -0.120 4.200 4.320 -0.001 0.000 0.198 405 K C 0.332 176.939 176.600 0.012 0.000 1.044 405 K CA 0.952 57.249 56.287 0.018 0.000 0.948 405 K CB -0.305 32.205 32.500 0.017 0.000 0.762 405 K HN 0.619 nan 8.250 nan 0.000 0.472 406 D N -1.692 118.717 120.400 0.015 0.000 2.424 406 D HA 0.190 4.829 4.640 -0.001 0.000 0.220 406 D C 0.984 177.288 176.300 0.008 0.000 1.150 406 D CA 0.275 54.281 54.000 0.011 0.000 0.831 406 D CB 0.205 41.013 40.800 0.013 0.000 0.981 406 D HN 0.093 nan 8.370 nan 0.000 0.500 407 G N 0.128 108.932 108.800 0.007 0.000 2.212 407 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.266 407 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.266 407 G C 0.175 175.077 174.900 0.004 0.000 0.978 407 G CA 0.074 45.172 45.100 -0.003 0.000 0.632 407 G HN 0.468 nan 8.290 nan 0.000 0.537 408 Q N 0.540 120.354 119.800 0.023 0.000 2.271 408 Q HA 0.420 4.759 4.340 -0.001 0.000 0.273 408 Q C 0.527 176.570 176.000 0.071 0.000 1.051 408 Q CA 0.194 56.021 55.803 0.041 0.000 0.901 408 Q CB 0.437 29.204 28.738 0.048 0.000 1.174 408 Q HN 0.436 nan 8.270 nan 0.000 0.385 409 R N 2.859 123.409 120.500 0.083 0.000 2.229 409 R HA 0.321 4.660 4.340 -0.001 0.000 0.332 409 R C -0.548 175.966 176.300 0.356 0.000 0.989 409 R CA -0.441 55.764 56.100 0.175 0.000 0.842 409 R CB 1.041 31.342 30.300 0.003 0.000 1.119 409 R HN 0.379 nan 8.270 nan 0.000 0.456 410 R N 2.318 123.032 120.500 0.356 0.000 2.255 410 R HA 0.183 4.522 4.340 -0.001 0.000 0.326 410 R C -0.319 176.123 176.300 0.236 0.000 0.986 410 R CA -0.697 55.570 56.100 0.278 0.000 0.847 410 R CB 1.526 31.916 30.300 0.150 0.000 1.111 410 R HN 0.252 nan 8.270 nan 0.000 0.452 411 K N 4.134 124.536 120.400 0.003 0.000 2.383 411 K HA 0.143 4.462 4.320 -0.001 0.000 0.286 411 K C -0.249 176.147 176.600 -0.340 0.000 1.051 411 K CA -0.095 55.798 56.287 -0.657 0.000 0.974 411 K CB 0.516 32.501 32.500 -0.858 0.000 0.968 411 K HN 0.522 nan 8.250 nan 0.000 0.475 412 I N 3.908 124.284 120.570 -0.324 0.000 2.395 412 I HA 0.035 4.205 4.170 -0.001 0.000 0.289 412 I C 0.286 176.304 176.117 -0.166 0.000 1.023 412 I CA -0.240 60.965 61.300 -0.158 0.000 1.350 412 I CB 1.499 39.447 38.000 -0.087 0.000 1.409 412 I HN 0.561 nan 8.210 nan 0.000 0.507 413 T N 6.128 120.616 114.554 -0.111 0.000 2.780 413 T HA 0.209 4.558 4.350 -0.001 0.000 0.294 413 T C -0.107 174.556 174.700 -0.062 0.000 0.949 413 T CA -0.454 61.596 62.100 -0.084 0.000 1.074 413 T CB 0.885 69.719 68.868 -0.057 0.000 0.910 413 T HN 0.484 nan 8.240 nan 0.000 0.501 414 E N 2.189 122.362 120.200 -0.045 0.000 2.199 414 E HA 0.178 4.528 4.350 -0.001 0.000 0.265 414 E C -1.359 175.246 176.600 0.008 0.000 0.882 414 E CA -0.579 55.806 56.400 -0.024 0.000 0.759 414 E CB 1.322 31.008 29.700 -0.023 0.000 1.148 414 E HN 0.495 nan 8.360 nan 0.000 0.412 415 D N 3.203 123.622 120.400 0.031 0.000 2.441 415 D HA 0.179 4.819 4.640 -0.001 0.000 0.231 415 D C 0.105 176.493 176.300 0.146 0.000 1.073 415 D CA 0.201 54.233 54.000 0.053 0.000 0.850 415 D CB 0.264 41.087 40.800 0.040 0.000 1.062 415 D HN 0.776 nan 8.370 nan 0.000 0.524 416 H N 2.800 121.867 119.070 -0.005 0.000 1.796 416 H HA -0.090 4.466 4.556 -0.001 0.000 0.115 416 H C 0.808 176.096 175.328 -0.068 0.000 0.922 416 H CA 0.698 56.760 56.048 0.023 0.000 0.412 416 H CB -0.684 29.137 29.762 0.099 0.000 0.314 416 H HN 0.442 nan 8.280 nan 0.000 0.207 417 A N 1.621 124.392 122.820 -0.082 0.000 5.670 417 A HA -0.262 4.058 4.320 -0.001 0.000 0.904 417 A C 1.126 178.559 177.584 -0.252 0.000 1.625 417 A CA 3.394 55.357 52.037 -0.124 0.000 3.016 417 A CB -1.921 17.036 19.000 -0.071 0.000 1.660 417 A HN 1.763 nan 8.150 nan 0.000 0.964 418 S N -3.188 112.420 115.700 -0.154 0.000 3.661 418 S HA 0.051 4.521 4.470 -0.001 0.000 0.856 418 S C 0.101 174.609 174.600 -0.154 0.000 1.259 418 S CA 0.965 59.079 58.200 -0.142 0.000 0.753 418 S CB -1.350 61.753 63.200 -0.161 0.000 0.736 418 S HN 2.314 nan 8.310 nan 0.000 0.290 419 V N 2.854 122.724 119.914 -0.073 0.000 3.211 419 V HA 0.910 5.030 4.120 -0.001 0.000 0.319 419 V C 1.671 177.747 176.094 -0.029 0.000 1.096 419 V CA -0.408 61.873 62.300 -0.032 0.000 1.029 419 V CB 0.511 32.330 31.823 -0.007 0.000 1.137 419 V HN 2.530 nan 8.190 nan 0.000 0.453 420 G N 0.768 109.580 108.800 0.021 0.000 2.374 420 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.289 420 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.289 420 G C 0.214 175.116 174.900 0.004 0.000 1.004 420 G CA 0.792 45.907 45.100 0.024 0.000 1.292 420 G HN 0.962 nan 8.290 nan 0.000 0.502 421 K N 0.119 120.543 120.400 0.040 0.000 2.017 421 K HA 0.107 4.426 4.320 -0.001 0.000 0.207 421 K C 1.247 177.883 176.600 0.059 0.000 1.035 421 K CA 1.130 57.404 56.287 -0.021 0.000 0.947 421 K CB 0.089 32.495 32.500 -0.156 0.000 0.749 421 K HN 0.328 nan 8.250 nan 0.000 0.443 422 N N 1.544 120.383 118.700 0.231 0.000 2.818 422 N HA 0.172 4.911 4.740 -0.001 0.000 0.301 422 N C -1.058 174.571 175.510 0.199 0.000 1.821 422 N CA -0.168 52.981 53.050 0.165 0.000 0.930 422 N CB 0.445 38.990 38.487 0.096 0.000 1.263 422 N HN 0.139 nan 8.380 nan 0.000 0.487 423 I N 0.817 121.426 120.570 0.065 0.000 3.015 423 I HA -0.140 4.029 4.170 -0.001 0.000 0.309 423 I C 0.418 176.491 176.117 -0.074 0.000 1.229 423 I CA 1.116 62.375 61.300 -0.069 0.000 1.430 423 I CB -0.485 37.443 38.000 -0.120 0.000 1.347 423 I HN 0.025 nan 8.210 nan 0.000 0.544 424 S N 4.180 119.816 115.700 -0.107 0.000 2.568 424 S HA 0.708 5.177 4.470 -0.001 0.000 0.293 424 S C -0.107 174.432 174.600 -0.102 0.000 1.089 424 S CA -0.559 57.560 58.200 -0.135 0.000 0.945 424 S CB 2.762 65.865 63.200 -0.161 0.000 1.077 424 S HN 0.784 nan 8.310 nan 0.000 0.485 425 T N 1.009 115.519 114.554 -0.073 0.000 2.868 425 T HA 0.422 4.772 4.350 -0.001 0.000 0.306 425 T C -1.359 173.435 174.700 0.156 0.000 1.224 425 T CA -0.735 61.384 62.100 0.032 0.000 1.012 425 T CB 1.258 70.071 68.868 -0.092 0.000 1.221 425 T HN 0.581 nan 8.240 nan 0.000 0.499 426 K N 1.657 122.207 120.400 0.250 0.000 2.355 426 K HA 0.382 4.701 4.320 -0.001 0.000 0.270 426 K C 0.165 176.841 176.600 0.125 0.000 1.003 426 K CA -0.238 56.200 56.287 0.252 0.000 0.957 426 K CB 0.633 33.244 32.500 0.186 0.000 0.939 426 K HN 0.530 nan 8.250 nan 0.000 0.482 427 S N 2.280 118.020 115.700 0.066 0.000 2.580 427 S HA 0.048 4.518 4.470 -0.001 0.000 0.274 427 S C 1.222 175.759 174.600 -0.106 0.000 1.329 427 S CA -0.816 57.374 58.200 -0.017 0.000 1.036 427 S CB 1.111 64.270 63.200 -0.067 0.000 0.919 427 S HN 0.473 nan 8.310 nan 0.000 0.515 428 V N 4.312 124.112 119.914 -0.191 0.000 2.759 428 V HA -0.013 4.106 4.120 -0.001 0.000 0.256 428 V C -0.277 175.537 176.094 -0.467 0.000 1.080 428 V CA 1.217 63.262 62.300 -0.426 0.000 1.101 428 V CB -0.768 30.678 31.823 -0.629 0.000 0.698 428 V HN 0.791 nan 8.190 nan 0.000 0.477 429 Y N -0.395 119.826 120.300 -0.132 0.000 2.327 429 Y HA 0.655 5.205 4.550 -0.001 0.000 0.325 429 Y C 0.546 176.243 175.900 -0.339 0.000 0.999 429 Y CA -0.534 57.482 58.100 -0.139 0.000 1.195 429 Y CB 1.140 39.570 38.460 -0.050 0.000 1.132 429 Y HN 0.207 nan 8.280 nan 0.000 0.455 430 G N 2.820 111.536 108.800 -0.140 0.000 2.655 430 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.680 430 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.680 430 G C -0.414 174.275 174.900 -0.352 0.000 1.302 430 G CA -0.909 43.963 45.100 -0.381 0.000 0.872 430 G HN 0.549 nan 8.290 nan 0.000 0.540 431 N N 0.236 118.832 118.700 -0.174 0.000 2.389 431 N HA 0.300 5.039 4.740 -0.001 0.000 0.260 431 N C 0.252 175.852 175.510 0.150 0.000 1.191 431 N CA -0.110 52.941 53.050 0.003 0.000 0.885 431 N CB 0.108 38.627 38.487 0.053 0.000 1.162 431 N HN 0.714 nan 8.380 nan 0.000 0.512 432 H N -0.506 118.636 119.070 0.119 0.000 2.607 432 H HA 0.217 4.772 4.556 -0.001 0.000 0.367 432 H C 0.499 175.884 175.328 0.095 0.000 1.181 432 H CA -0.817 55.289 56.048 0.097 0.000 1.402 432 H CB 1.215 31.008 29.762 0.050 0.000 1.474 432 H HN 0.003 nan 8.280 nan 0.000 0.596 433 R N 1.762 122.313 120.500 0.086 0.000 2.308 433 R HA 0.062 4.401 4.340 -0.001 0.000 0.305 433 R C -0.697 175.511 176.300 -0.155 0.000 1.053 433 R CA -0.558 55.348 56.100 -0.322 0.000 0.957 433 R CB 0.664 30.542 30.300 -0.702 0.000 1.022 433 R HN 0.816 nan 8.270 nan 0.000 0.461 434 E N 3.717 123.826 120.200 -0.151 0.000 2.113 434 E HA 0.046 4.395 4.350 -0.001 0.000 0.273 434 E C -1.233 175.285 176.600 -0.136 0.000 0.924 434 E CA -0.733 55.619 56.400 -0.080 0.000 0.764 434 E CB 1.119 30.805 29.700 -0.023 0.000 1.104 434 E HN 0.478 nan 8.360 nan 0.000 0.406 435 D N 4.548 124.877 120.400 -0.118 0.000 2.338 435 D HA 0.016 4.655 4.640 -0.001 0.000 0.255 435 D C -0.175 176.022 176.300 -0.172 0.000 1.237 435 D CA -0.021 53.905 54.000 -0.124 0.000 0.883 435 D CB 1.533 42.282 40.800 -0.085 0.000 1.087 435 D HN 0.374 nan 8.370 nan 0.000 0.485 436 V N 4.036 123.815 119.914 -0.225 0.000 3.444 436 V HA -0.072 4.048 4.120 -0.001 0.000 0.308 436 V C 1.854 177.785 176.094 -0.272 0.000 1.371 436 V CA 0.450 62.473 62.300 -0.461 0.000 1.141 436 V CB 0.086 31.682 31.823 -0.378 0.000 1.037 436 V HN 0.622 nan 8.190 nan 0.000 0.433 437 T N 0.779 115.276 114.554 -0.095 0.000 2.635 437 T HA -0.266 4.084 4.350 -0.001 0.000 0.267 437 T C 1.822 176.558 174.700 0.060 0.000 1.040 437 T CA 1.966 64.082 62.100 0.027 0.000 1.156 437 T CB -0.317 68.551 68.868 0.001 0.000 0.863 437 T HN 0.380 nan 8.240 nan 0.000 0.430 438 L N 0.846 122.067 121.223 -0.002 0.000 2.349 438 L HA -0.111 4.229 4.340 -0.001 0.000 0.220 438 L C 2.035 178.947 176.870 0.070 0.000 1.130 438 L CA 1.611 56.464 54.840 0.022 0.000 0.791 438 L CB -0.611 41.466 42.059 0.031 0.000 0.918 438 L HN 0.277 nan 8.230 nan 0.000 0.444 439 H N -2.307 116.741 119.070 -0.038 0.000 2.462 439 H HA -0.052 4.503 4.556 -0.001 0.000 0.292 439 H C 1.574 176.743 175.328 -0.264 0.000 1.049 439 H CA 1.515 57.467 56.048 -0.160 0.000 1.334 439 H CB -0.298 29.322 29.762 -0.236 0.000 1.404 439 H HN 0.449 nan 8.280 nan 0.000 0.544 440 Y N 0.538 120.879 120.300 0.069 0.000 2.389 440 Y HA 0.109 4.658 4.550 -0.001 0.000 0.292 440 Y C 0.674 176.542 175.900 -0.053 0.000 1.117 440 Y CA 0.272 58.388 58.100 0.027 0.000 1.195 440 Y CB 0.715 39.210 38.460 0.058 0.000 1.076 440 Y HN 0.022 nan 8.280 nan 0.000 0.548 441 K N -1.393 119.044 120.400 0.062 0.000 2.527 441 K HA 0.307 4.626 4.320 -0.001 0.000 0.260 441 K C -1.803 174.742 176.600 -0.092 0.000 0.937 441 K CA -0.994 55.273 56.287 -0.033 0.000 0.826 441 K CB 1.203 33.717 32.500 0.024 0.000 1.359 441 K HN -0.207 nan 8.250 nan 0.000 0.434 442 Y N 1.700 121.989 120.300 -0.018 0.000 2.457 442 Y HA 0.104 4.653 4.550 -0.001 0.000 0.341 442 Y C -1.734 174.133 175.900 -0.056 0.000 1.240 442 Y CA -1.256 56.822 58.100 -0.036 0.000 1.437 442 Y CB 0.072 38.492 38.460 -0.066 0.000 1.328 442 Y HN 0.463 nan 8.280 nan 0.000 0.588 443 P HA -0.100 nan 4.420 nan 0.000 0.267 443 P C -0.449 176.861 177.300 0.016 0.000 1.200 443 P CA -0.041 63.091 63.100 0.054 0.000 0.772 443 P CB 0.458 32.188 31.700 0.050 0.000 0.855 444 E N 1.092 121.288 120.200 -0.007 0.000 2.480 444 E HA 0.124 4.473 4.350 -0.001 0.000 0.258 444 E C 1.268 177.856 176.600 -0.020 0.000 0.984 444 E CA 1.058 57.446 56.400 -0.020 0.000 0.930 444 E CB -0.515 29.174 29.700 -0.018 0.000 0.936 444 E HN 0.774 nan 8.360 nan 0.000 0.466 445 G N 3.178 111.960 108.800 -0.029 0.000 2.268 445 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.240 445 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.240 445 G C 0.314 175.191 174.900 -0.038 0.000 1.010 445 G CA 0.302 45.389 45.100 -0.023 0.000 0.618 445 G HN 0.915 nan 8.290 nan 0.000 0.516 446 S N 0.272 115.944 115.700 -0.046 0.000 2.559 446 S HA 0.285 4.754 4.470 -0.001 0.000 0.282 446 S C 1.164 175.705 174.600 -0.098 0.000 1.336 446 S CA 1.100 59.263 58.200 -0.062 0.000 1.037 446 S CB 1.381 64.549 63.200 -0.052 0.000 0.853 446 S HN 0.776 nan 8.310 nan 0.000 0.523 447 Q N 1.273 121.012 119.800 -0.101 0.000 2.297 447 Q HA 0.016 4.356 4.340 -0.001 0.000 0.204 447 Q C 1.746 177.644 176.000 -0.169 0.000 0.962 447 Q CA 1.445 57.186 55.803 -0.103 0.000 0.879 447 Q CB -0.119 28.570 28.738 -0.082 0.000 0.947 447 Q HN 0.711 nan 8.270 nan 0.000 0.462 448 K N 0.290 120.531 120.400 -0.266 0.000 2.103 448 K HA -0.148 4.172 4.320 -0.001 0.000 0.204 448 K C 1.834 178.183 176.600 -0.418 0.000 1.052 448 K CA 1.306 57.297 56.287 -0.494 0.000 0.945 448 K CB 0.014 31.934 32.500 -0.966 0.000 0.722 448 K HN 0.467 nan 8.250 nan 0.000 0.443 449 E N 1.086 121.119 120.200 -0.279 0.000 2.072 449 E HA -0.218 4.132 4.350 -0.001 0.000 0.191 449 E C 2.099 178.516 176.600 -0.306 0.000 0.985 449 E CA 0.937 57.164 56.400 -0.288 0.000 0.801 449 E CB 0.046 29.568 29.700 -0.296 0.000 0.750 449 E HN 0.141 nan 8.360 nan 0.000 0.452 450 R N 0.774 121.176 120.500 -0.162 0.000 2.096 450 R HA -0.152 4.187 4.340 -0.001 0.000 0.235 450 R C 2.225 178.524 176.300 -0.001 0.000 1.127 450 R CA 1.911 57.985 56.100 -0.044 0.000 0.968 450 R CB -0.147 30.141 30.300 -0.020 0.000 0.861 450 R HN 0.309 nan 8.270 nan 0.000 0.440 451 E N -0.527 119.645 120.200 -0.048 0.000 2.371 451 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 451 E C 1.602 178.221 176.600 0.031 0.000 1.012 451 E CA 0.709 57.101 56.400 -0.013 0.000 0.860 451 E CB 0.200 29.871 29.700 -0.048 0.000 0.811 451 E HN 0.190 nan 8.360 nan 0.000 0.502 452 V N 0.650 120.593 119.914 0.047 0.000 2.535 452 V HA -0.167 3.953 4.120 -0.001 0.000 0.246 452 V C 1.858 178.138 176.094 0.310 0.000 1.045 452 V CA 1.036 63.433 62.300 0.161 0.000 1.058 452 V CB -0.605 31.364 31.823 0.243 0.000 0.689 452 V HN 0.238 nan 8.190 nan 0.000 0.461 453 Y N 1.128 121.521 120.300 0.156 0.000 2.242 453 Y HA -0.112 4.437 4.550 -0.001 0.000 0.291 453 Y C 2.450 178.393 175.900 0.071 0.000 1.137 453 Y CA 0.796 58.994 58.100 0.164 0.000 1.181 453 Y CB -0.588 37.953 38.460 0.135 0.000 0.989 453 Y HN 0.278 nan 8.280 nan 0.000 0.527 454 K N 0.237 120.769 120.400 0.221 0.000 2.002 454 K HA -0.213 4.106 4.320 -0.001 0.000 0.209 454 K C 2.219 178.852 176.600 0.055 0.000 1.048 454 K CA 1.574 57.925 56.287 0.106 0.000 0.930 454 K CB -0.201 32.341 32.500 0.070 0.000 0.714 454 K HN 0.161 nan 8.250 nan 0.000 0.438 455 K N 0.818 121.247 120.400 0.049 0.000 2.032 455 K HA -0.148 4.171 4.320 -0.001 0.000 0.209 455 K C 1.873 178.442 176.600 -0.052 0.000 1.048 455 K CA 1.598 57.886 56.287 0.001 0.000 0.927 455 K CB -0.103 32.401 32.500 0.008 0.000 0.712 455 K HN 0.128 nan 8.250 nan 0.000 0.441 456 A N -0.198 122.575 122.820 -0.079 0.000 2.169 456 A HA 0.208 4.528 4.320 -0.001 0.000 0.212 456 A C 1.305 178.768 177.584 -0.201 0.000 1.153 456 A CA 0.875 52.759 52.037 -0.256 0.000 0.756 456 A CB -0.169 18.446 19.000 -0.641 0.000 0.813 456 A HN 0.633 nan 8.150 nan 0.000 0.471 457 G N -1.353 107.398 108.800 -0.082 0.000 2.130 457 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.216 457 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.216 457 G C 0.100 174.965 174.900 -0.059 0.000 0.999 457 G CA 0.012 45.072 45.100 -0.066 0.000 0.686 457 G HN 0.387 nan 8.290 nan 0.000 0.515 458 R N 1.141 121.611 120.500 -0.049 0.000 2.234 458 R HA 0.332 4.671 4.340 -0.001 0.000 0.324 458 R C 1.343 177.571 176.300 -0.120 0.000 1.054 458 R CA -0.780 55.212 56.100 -0.181 0.000 0.912 458 R CB 0.268 30.194 30.300 -0.624 0.000 1.030 458 R HN 0.722 nan 8.270 nan 0.000 0.455 459 R N 1.133 121.581 120.500 -0.086 0.000 2.640 459 R HA 0.124 4.463 4.340 -0.001 0.000 0.270 459 R C -0.243 176.067 176.300 0.017 0.000 1.024 459 R CA -0.265 55.826 56.100 -0.014 0.000 1.085 459 R CB 0.436 30.739 30.300 0.006 0.000 0.963 459 R HN 0.199 nan 8.270 nan 0.000 0.426 460 V N 4.291 124.248 119.914 0.073 0.000 2.380 460 V HA 0.123 4.243 4.120 -0.001 0.000 0.268 460 V C -0.172 175.978 176.094 0.093 0.000 1.008 460 V CA -0.447 61.929 62.300 0.127 0.000 0.823 460 V CB 1.158 33.100 31.823 0.198 0.000 1.053 460 V HN 1.072 nan 8.190 nan 0.000 0.446 473 L N 2.039 123.251 121.223 -0.018 0.000 2.416 473 L HA 0.286 4.625 4.340 -0.001 0.000 0.272 473 L C -0.108 176.762 176.870 0.000 0.000 1.161 473 L CA 0.820 55.653 54.840 -0.012 0.000 0.845 473 L CB 0.255 42.303 42.059 -0.017 0.000 1.119 473 L HN 0.423 nan 8.230 nan 0.000 0.464 474 Q N 3.601 123.406 119.800 0.008 0.000 2.275 474 Q HA 0.392 4.731 4.340 -0.001 0.000 0.266 474 Q C -1.273 174.739 176.000 0.019 0.000 1.002 474 Q CA -0.757 55.054 55.803 0.014 0.000 0.761 474 Q CB 2.597 31.345 28.738 0.018 0.000 1.255 474 Q HN 0.324 nan 8.270 nan 0.000 0.446 475 L N 2.281 123.514 121.223 0.018 0.000 2.325 475 L HA 0.699 5.039 4.340 -0.001 0.000 0.279 475 L C -0.388 176.496 176.870 0.023 0.000 1.054 475 L CA 0.168 55.020 54.840 0.021 0.000 0.804 475 L CB 1.574 43.641 42.059 0.013 0.000 1.200 475 L HN 0.767 nan 8.230 nan 0.000 0.436 476 S N 3.938 119.651 115.700 0.022 0.000 2.537 476 S HA 0.720 5.190 4.470 -0.001 0.000 0.271 476 S C -0.991 173.614 174.600 0.009 0.000 1.148 476 S CA -0.846 57.366 58.200 0.019 0.000 0.868 476 S CB 0.822 64.034 63.200 0.019 0.000 1.115 476 S HN 0.392 nan 8.310 nan 0.000 0.461 477 I N 2.163 122.734 120.570 0.000 0.000 2.493 477 I HA 0.576 4.745 4.170 -0.001 0.000 0.298 477 I C -0.396 175.702 176.117 -0.031 0.000 0.998 477 I CA -0.654 60.646 61.300 0.000 0.000 1.137 477 I CB 2.009 40.014 38.000 0.009 0.000 1.310 477 I HN 0.709 nan 8.210 nan 0.000 0.445 478 K N 5.308 125.695 120.400 -0.021 0.000 2.502 478 K HA 0.636 4.955 4.320 -0.001 0.000 0.257 478 K C -1.316 175.280 176.600 -0.007 0.000 0.938 478 K CA -0.931 55.305 56.287 -0.086 0.000 0.819 478 K CB 2.723 35.178 32.500 -0.075 0.000 1.333 478 K HN 0.776 nan 8.250 nan 0.000 0.434 479 H N -1.783 117.248 119.070 -0.065 0.000 3.037 479 H HA 0.491 5.047 4.556 -0.001 0.000 0.355 479 H C -1.165 174.085 175.328 -0.130 0.000 1.263 479 H CA -1.012 54.993 56.048 -0.072 0.000 1.129 479 H CB 2.061 31.776 29.762 -0.079 0.000 1.861 479 H HN 0.658 nan 8.280 nan 0.000 0.546 480 A N 1.769 124.657 122.820 0.113 0.000 2.476 480 A HA 0.089 4.408 4.320 -0.001 0.000 0.263 480 A C 0.233 177.801 177.584 -0.026 0.000 1.342 480 A CA -0.159 51.883 52.037 0.009 0.000 0.926 480 A CB -0.827 18.166 19.000 -0.011 0.000 1.019 480 A HN 0.756 nan 8.150 nan 0.000 0.515 481 Q N -0.162 119.692 119.800 0.091 0.000 2.448 481 Q HA -0.124 4.215 4.340 -0.001 0.000 0.357 481 Q C -2.259 173.626 176.000 -0.192 0.000 1.443 481 Q CA 0.398 56.133 55.803 -0.114 0.000 0.996 481 Q CB -1.349 27.250 28.738 -0.232 0.000 1.180 481 Q HN 0.631 nan 8.270 nan 0.000 0.338 482 P HA 0.113 nan 4.420 nan 0.000 0.272 482 P C -0.230 176.938 177.300 -0.220 0.000 1.223 482 P CA -0.184 62.660 63.100 -0.426 0.000 0.784 482 P CB 0.886 31.912 31.700 -1.123 0.000 0.923 483 V N 3.523 123.382 119.914 -0.092 0.000 2.439 483 V HA 0.141 4.261 4.120 -0.001 0.000 0.282 483 V C 0.575 176.708 176.094 0.065 0.000 1.039 483 V CA -0.687 61.603 62.300 -0.016 0.000 0.913 483 V CB 0.465 32.285 31.823 -0.006 0.000 0.983 483 V HN 0.455 nan 8.190 nan 0.000 0.460 484 F N 4.100 124.003 119.950 -0.077 0.000 2.629 484 F HA 0.440 4.966 4.527 -0.001 0.000 0.377 484 F C 1.262 177.084 175.800 0.036 0.000 1.101 484 F CA 1.426 59.438 58.000 0.020 0.000 1.301 484 F CB 0.363 39.258 39.000 -0.176 0.000 1.062 484 F HN 0.797 nan 8.300 nan 0.000 0.583 485 G N 2.787 111.185 108.800 -0.669 0.000 2.278 485 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.210 485 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.210 485 G C 0.249 174.851 174.900 -0.496 0.000 1.000 485 G CA 0.051 44.544 45.100 -1.010 0.000 0.635 485 G HN 1.173 nan 8.290 nan 0.000 0.495 486 T N -0.216 114.329 114.554 -0.015 0.000 2.945 486 T HA 0.632 4.981 4.350 -0.001 0.000 0.286 486 T C -0.801 174.108 174.700 0.348 0.000 1.025 486 T CA -0.213 61.961 62.100 0.124 0.000 1.039 486 T CB 2.381 71.320 68.868 0.119 0.000 1.068 486 T HN 0.067 nan 8.240 nan 0.000 0.497 487 D N 1.671 122.182 120.400 0.186 0.000 2.210 487 D HA 0.580 5.219 4.640 -0.001 0.000 0.249 487 D C -0.208 176.139 176.300 0.079 0.000 1.062 487 D CA -0.062 53.957 54.000 0.031 0.000 0.891 487 D CB 1.075 41.840 40.800 -0.058 0.000 1.186 487 D HN 0.679 nan 8.370 nan 0.000 0.432 488 F N -1.753 118.174 119.950 -0.038 0.000 2.745 488 F HA 0.505 5.032 4.527 -0.001 0.000 0.316 488 F C -1.165 174.600 175.800 -0.059 0.000 1.155 488 F CA -1.203 56.776 58.000 -0.034 0.000 0.937 488 F CB 1.180 40.178 39.000 -0.003 0.000 1.361 488 F HN -0.103 nan 8.300 nan 0.000 0.472 489 D N 0.900 121.426 120.400 0.211 0.000 2.269 489 D HA 0.612 5.252 4.640 -0.001 0.000 0.244 489 D C -1.057 175.392 176.300 0.249 0.000 0.992 489 D CA -0.396 53.672 54.000 0.112 0.000 0.894 489 D CB 2.612 43.447 40.800 0.059 0.000 1.248 489 D HN 0.455 nan 8.370 nan 0.000 0.468 490 V N 2.084 122.100 119.914 0.171 0.000 2.483 490 V HA 0.340 4.460 4.120 -0.001 0.000 0.297 490 V C -0.151 175.998 176.094 0.092 0.000 1.027 490 V CA -0.732 61.678 62.300 0.182 0.000 0.855 490 V CB 1.513 33.460 31.823 0.206 0.000 0.995 490 V HN 0.355 nan 8.190 nan 0.000 0.424 491 I N 4.861 125.470 120.570 0.065 0.000 2.440 491 I HA 0.412 4.581 4.170 -0.001 0.000 0.294 491 I C -0.068 176.062 176.117 0.022 0.000 0.995 491 I CA -0.260 61.055 61.300 0.025 0.000 1.306 491 I CB 1.696 39.697 38.000 0.001 0.000 1.407 491 I HN 0.271 nan 8.210 nan 0.000 0.501 492 V N 5.555 125.479 119.914 0.016 0.000 2.350 492 V HA 0.336 4.455 4.120 -0.001 0.000 0.285 492 V C -0.148 175.958 176.094 0.021 0.000 1.014 492 V CA -0.634 61.681 62.300 0.025 0.000 0.831 492 V CB 1.156 33.004 31.823 0.041 0.000 1.000 492 V HN 0.764 nan 8.190 nan 0.000 0.433 493 E N 4.471 124.681 120.200 0.017 0.000 2.171 493 E HA 0.600 4.950 4.350 -0.001 0.000 0.271 493 E C -1.510 175.117 176.600 0.044 0.000 0.916 493 E CA -0.572 55.839 56.400 0.018 0.000 0.774 493 E CB 2.065 31.764 29.700 -0.002 0.000 1.128 493 E HN 0.440 nan 8.360 nan 0.000 0.403 494 V N 4.971 124.933 119.914 0.079 0.000 2.350 494 V HA 0.301 4.420 4.120 -0.001 0.000 0.276 494 V C -0.295 175.834 176.094 0.059 0.000 1.028 494 V CA -0.665 61.678 62.300 0.072 0.000 0.860 494 V CB 1.150 33.031 31.823 0.097 0.000 0.990 494 V HN 0.639 nan 8.190 nan 0.000 0.453 495 K N 3.583 124.004 120.400 0.036 0.000 2.293 495 K HA 0.357 4.676 4.320 -0.001 0.000 0.267 495 K C -0.163 176.447 176.600 0.017 0.000 1.010 495 K CA -0.447 55.858 56.287 0.031 0.000 0.875 495 K CB 0.793 33.310 32.500 0.028 0.000 1.106 495 K HN 0.582 nan 8.250 nan 0.000 0.450 496 N N 3.169 121.873 118.700 0.007 0.000 2.469 496 N HA 0.026 4.766 4.740 -0.001 0.000 0.239 496 N C -1.015 174.481 175.510 -0.023 0.000 1.053 496 N CA -0.281 52.753 53.050 -0.027 0.000 0.937 496 N CB 0.692 39.141 38.487 -0.063 0.000 1.163 496 N HN 0.438 nan 8.380 nan 0.000 0.509 497 E N 1.207 121.412 120.200 0.009 0.000 2.462 497 E HA 0.366 4.715 4.350 -0.001 0.000 0.255 497 E C 0.410 177.041 176.600 0.051 0.000 1.311 497 E CA -0.632 55.817 56.400 0.083 0.000 1.629 497 E CB 0.421 30.179 29.700 0.097 0.000 1.510 497 E HN 0.518 nan 8.360 nan 0.000 0.438 498 G N -0.766 107.964 108.800 -0.117 0.000 2.685 498 G HA2 0.472 4.431 3.960 -0.001 0.000 0.298 498 G HA3 0.472 4.431 3.960 -0.001 0.000 0.298 498 G C 0.634 175.296 174.900 -0.397 0.000 1.277 498 G CA -0.607 44.409 45.100 -0.140 0.000 0.986 498 G HN 0.217 nan 8.290 nan 0.000 0.487 499 G N -0.993 107.687 108.800 -0.199 0.000 2.453 499 G HA2 0.116 4.075 3.960 -0.001 0.000 0.215 499 G HA3 0.116 4.075 3.960 -0.001 0.000 0.215 499 G C 0.797 175.595 174.900 -0.171 0.000 1.147 499 G CA -0.034 44.954 45.100 -0.187 0.000 0.802 499 G HN 0.561 nan 8.290 nan 0.000 0.535 500 R N 0.713 121.129 120.500 -0.139 0.000 2.598 500 R HA 0.405 4.744 4.340 -0.001 0.000 0.279 500 R C -1.343 174.863 176.300 -0.156 0.000 0.984 500 R CA -0.914 55.117 56.100 -0.114 0.000 0.999 500 R CB 0.989 31.242 30.300 -0.078 0.000 1.114 500 R HN -0.063 nan 8.270 nan 0.000 0.493 501 D N 0.766 121.077 120.400 -0.148 0.000 2.423 501 D HA 0.237 4.876 4.640 -0.001 0.000 0.238 501 D C -0.639 175.437 176.300 -0.374 0.000 1.142 501 D CA 0.852 54.731 54.000 -0.201 0.000 0.884 501 D CB 0.900 41.624 40.800 -0.126 0.000 1.199 501 D HN 0.583 nan 8.370 nan 0.000 0.438 502 A N 2.995 125.583 122.820 -0.386 0.000 2.353 502 A HA 0.448 4.767 4.320 -0.001 0.000 0.299 502 A C -1.124 176.229 177.584 -0.386 0.000 1.089 502 A CA -0.852 50.925 52.037 -0.434 0.000 0.736 502 A CB 0.915 19.787 19.000 -0.213 0.000 1.195 502 A HN 0.615 nan 8.150 nan 0.000 0.447 503 H N 1.466 120.513 119.070 -0.038 0.000 2.476 503 H HA 0.781 5.336 4.556 -0.001 0.000 0.328 503 H C 0.000 175.305 175.328 -0.039 0.000 1.073 503 H CA -0.066 55.955 56.048 -0.044 0.000 1.229 503 H CB 1.640 31.381 29.762 -0.036 0.000 1.432 503 H HN 0.871 nan 8.280 nan 0.000 0.477 504 A N 2.375 125.222 122.820 0.045 0.000 2.583 504 A HA 0.418 4.737 4.320 -0.001 0.000 0.289 504 A C -1.039 176.546 177.584 0.002 0.000 1.151 504 A CA -0.825 51.222 52.037 0.017 0.000 0.695 504 A CB 2.196 21.192 19.000 -0.006 0.000 1.290 504 A HN 0.546 nan 8.150 nan 0.000 0.419 505 Q N 0.524 120.327 119.800 0.004 0.000 2.325 505 Q HA 0.556 4.896 4.340 -0.001 0.000 0.262 505 Q C -1.487 174.515 176.000 0.003 0.000 0.968 505 Q CA -0.171 55.633 55.803 0.002 0.000 0.877 505 Q CB 1.399 30.143 28.738 0.010 0.000 1.253 505 Q HN 0.622 nan 8.270 nan 0.000 0.448 506 L N 4.679 125.903 121.223 0.002 0.000 2.283 506 L HA 0.527 4.866 4.340 -0.001 0.000 0.281 506 L C -1.071 175.812 176.870 0.023 0.000 1.033 506 L CA -0.105 54.743 54.840 0.014 0.000 0.848 506 L CB 1.134 43.206 42.059 0.021 0.000 1.226 506 L HN 0.650 nan 8.230 nan 0.000 0.429 507 T N 6.206 120.773 114.554 0.022 0.000 2.799 507 T HA 0.589 4.938 4.350 -0.001 0.000 0.286 507 T C -0.007 174.708 174.700 0.025 0.000 0.973 507 T CA -0.269 61.845 62.100 0.024 0.000 1.035 507 T CB 1.203 70.086 68.868 0.024 0.000 0.932 507 T HN 0.520 nan 8.240 nan 0.000 0.469 508 M N 4.043 123.660 119.600 0.030 0.000 2.393 508 M HA 0.633 5.112 4.480 -0.001 0.000 0.299 508 M C -1.623 174.696 176.300 0.031 0.000 1.103 508 M CA -0.998 54.320 55.300 0.030 0.000 0.910 508 M CB 1.768 34.389 32.600 0.036 0.000 1.659 508 M HN 0.260 nan 8.290 nan 0.000 0.445 509 L N 1.675 122.917 121.223 0.031 0.000 2.371 509 L HA 1.032 5.371 4.340 -0.001 0.000 0.262 509 L C -0.755 176.140 176.870 0.040 0.000 1.006 509 L CA -0.892 53.970 54.840 0.036 0.000 0.818 509 L CB 2.063 44.144 42.059 0.038 0.000 1.354 509 L HN 0.831 nan 8.230 nan 0.000 0.415 510 A N 3.161 126.009 122.820 0.046 0.000 2.385 510 A HA 0.880 5.200 4.320 -0.001 0.000 0.290 510 A C -0.739 176.881 177.584 0.061 0.000 1.094 510 A CA -0.433 51.638 52.037 0.056 0.000 0.729 510 A CB 1.314 20.348 19.000 0.057 0.000 1.194 510 A HN 0.799 nan 8.150 nan 0.000 0.442 511 M N 2.257 121.894 119.600 0.061 0.000 2.518 511 M HA 0.873 5.352 4.480 -0.001 0.000 0.300 511 M C -0.240 176.098 176.300 0.063 0.000 1.175 511 M CA -0.629 54.708 55.300 0.062 0.000 0.890 511 M CB 2.039 34.672 32.600 0.055 0.000 1.710 511 M HN 0.836 nan 8.290 nan 0.000 0.453 512 A N 2.185 125.044 122.820 0.065 0.000 2.366 512 A HA 0.719 5.039 4.320 -0.001 0.000 0.249 512 A C -0.510 177.098 177.584 0.039 0.000 1.084 512 A CA -0.482 51.590 52.037 0.058 0.000 0.794 512 A CB 0.831 19.869 19.000 0.064 0.000 1.034 512 A HN 0.811 nan 8.150 nan 0.000 0.491 513 V N -0.372 119.560 119.914 0.030 0.000 3.206 513 V HA 0.694 4.814 4.120 -0.001 0.000 0.305 513 V C 0.066 176.167 176.094 0.010 0.000 1.257 513 V CA 0.188 62.500 62.300 0.020 0.000 1.057 513 V CB 2.825 34.671 31.823 0.038 0.000 1.075 513 V HN 1.393 nan 8.190 nan 0.000 0.443 514 T N -0.946 113.598 114.554 -0.016 0.000 2.940 514 T HA 0.438 4.788 4.350 -0.001 0.000 0.288 514 T C 0.744 175.445 174.700 0.002 0.000 1.033 514 T CA 0.284 62.376 62.100 -0.014 0.000 1.033 514 T CB 1.305 70.121 68.868 -0.086 0.000 1.079 514 T HN 0.930 nan 8.240 nan 0.000 0.496 515 Y N 2.512 122.809 120.300 -0.006 0.000 2.207 515 Y HA -0.124 4.425 4.550 -0.001 0.000 0.287 515 Y C 1.432 177.181 175.900 -0.252 0.000 1.156 515 Y CA 1.671 59.756 58.100 -0.025 0.000 1.182 515 Y CB -1.170 37.324 38.460 0.057 0.000 0.979 515 Y HN 0.787 nan 8.280 nan 0.000 0.521 516 N N -0.207 117.747 118.700 -1.243 0.000 2.441 516 N HA 0.083 4.823 4.740 -0.001 0.000 0.225 516 N C -0.020 174.897 175.510 -0.989 0.000 1.208 516 N CA 0.527 52.509 53.050 -1.779 0.000 0.847 516 N CB -0.044 37.018 38.487 -2.375 0.000 1.121 516 N HN 0.215 nan 8.380 nan 0.000 0.479 517 S N -0.656 114.776 115.700 -0.446 0.000 3.641 517 S HA -0.144 4.325 4.470 -0.001 0.000 0.346 517 S C -0.330 174.194 174.600 -0.126 0.000 1.074 517 S CA 0.128 58.225 58.200 -0.171 0.000 1.026 517 S CB -0.994 62.179 63.200 -0.045 0.000 0.908 517 S HN 0.429 nan 8.310 nan 0.000 0.479 518 L N 2.107 123.237 121.223 -0.156 0.000 2.268 518 L HA 0.389 4.728 4.340 -0.001 0.000 0.289 518 L C 0.856 177.704 176.870 -0.037 0.000 1.064 518 L CA 0.220 55.006 54.840 -0.089 0.000 0.824 518 L CB 0.685 42.680 42.059 -0.107 0.000 1.202 518 L HN 0.274 nan 8.230 nan 0.000 0.433 519 R N 3.360 123.861 120.500 0.002 0.000 2.538 519 R HA 0.068 4.407 4.340 -0.001 0.000 0.282 519 R C 0.470 176.776 176.300 0.011 0.000 1.009 519 R CA 0.585 56.698 56.100 0.022 0.000 1.063 519 R CB 0.590 30.919 30.300 0.050 0.000 0.945 519 R HN 0.700 nan 8.270 nan 0.000 0.414 520 R N 1.806 122.314 120.500 0.014 0.000 2.096 520 R HA 0.264 4.604 4.340 -0.001 0.000 0.130 520 R C 0.029 176.340 176.300 0.020 0.000 1.990 520 R CA 0.053 56.158 56.100 0.008 0.000 1.660 520 R CB 0.244 30.544 30.300 0.000 0.000 1.387 520 R HN 0.662 nan 8.270 nan 0.000 0.482 521 G N 1.402 110.220 108.800 0.030 0.000 2.468 521 G HA2 0.197 4.156 3.960 -0.001 0.000 0.315 521 G HA3 0.197 4.156 3.960 -0.001 0.000 0.315 521 G C -1.029 173.899 174.900 0.048 0.000 1.203 521 G CA -0.302 44.820 45.100 0.037 0.000 0.962 521 G HN 0.226 nan 8.290 nan 0.000 0.476 522 E N 1.693 121.918 120.200 0.043 0.000 1.800 522 E HA 0.038 4.388 4.350 -0.001 0.000 0.262 522 E C 1.270 177.899 176.600 0.048 0.000 1.219 522 E CA -0.474 55.954 56.400 0.046 0.000 1.051 522 E CB -0.988 28.736 29.700 0.041 0.000 1.074 522 E HN 0.446 nan 8.360 nan 0.000 0.433 523 C N 4.231 123.568 119.300 0.062 0.000 2.340 523 C HA 0.254 4.713 4.460 -0.001 0.000 0.375 523 C C 0.049 175.074 174.990 0.058 0.000 1.306 523 C CA -0.060 58.997 59.018 0.066 0.000 1.622 523 C CB -2.344 25.458 27.740 0.104 0.000 1.719 523 C HN 0.799 nan 8.230 nan 0.000 0.592 524 Q N -1.364 118.464 119.800 0.047 0.000 3.487 524 Q HA 0.039 4.379 4.340 -0.001 0.000 0.130 524 Q C -1.744 174.280 176.000 0.039 0.000 0.981 524 Q CA -0.404 55.423 55.803 0.040 0.000 1.225 524 Q CB -0.190 28.574 28.738 0.043 0.000 1.756 524 Q HN 0.726 nan 8.270 nan 0.000 0.591 525 R N 1.993 122.513 120.500 0.034 0.000 2.930 525 R HA 0.831 5.171 4.340 -0.001 0.000 0.257 525 R C -1.715 174.604 176.300 0.031 0.000 1.107 525 R CA -0.538 55.582 56.100 0.033 0.000 0.999 525 R CB 2.102 32.422 30.300 0.033 0.000 1.209 525 R HN 0.797 nan 8.270 nan 0.000 0.486 526 K N 1.216 121.635 120.400 0.031 0.000 2.609 526 K HA 0.158 4.477 4.320 -0.001 0.000 0.261 526 K C -2.127 174.492 176.600 0.031 0.000 0.945 526 K CA -0.391 55.915 56.287 0.031 0.000 0.898 526 K CB 2.040 34.561 32.500 0.034 0.000 1.349 526 K HN 0.635 nan 8.250 nan 0.000 0.420 527 T N 4.205 118.776 114.554 0.028 0.000 2.807 527 T HA 0.588 4.938 4.350 -0.001 0.000 0.279 527 T C -0.976 173.739 174.700 0.024 0.000 0.993 527 T CA -0.503 61.612 62.100 0.026 0.000 0.970 527 T CB 0.807 69.689 68.868 0.022 0.000 0.950 527 T HN 0.415 nan 8.240 nan 0.000 0.441 528 I N 1.484 122.068 120.570 0.023 0.000 2.846 528 I HA 0.539 4.708 4.170 -0.001 0.000 0.307 528 I C -0.154 175.960 176.117 -0.006 0.000 1.053 528 I CA -0.413 60.897 61.300 0.017 0.000 1.050 528 I CB 2.465 40.488 38.000 0.038 0.000 1.239 528 I HN 0.484 nan 8.210 nan 0.000 0.439 529 S N 2.462 118.150 115.700 -0.020 0.000 2.451 529 S HA 0.756 5.226 4.470 -0.001 0.000 0.301 529 S C -0.988 173.563 174.600 -0.083 0.000 1.116 529 S CA -0.459 57.720 58.200 -0.034 0.000 1.093 529 S CB 1.363 64.550 63.200 -0.022 0.000 1.017 529 S HN 0.351 nan 8.310 nan 0.000 0.482 530 V N 2.779 122.631 119.914 -0.103 0.000 2.735 530 V HA 0.694 4.813 4.120 -0.001 0.000 0.310 530 V C -0.352 175.686 176.094 -0.095 0.000 1.061 530 V CA -0.413 61.762 62.300 -0.208 0.000 0.913 530 V CB 2.443 34.067 31.823 -0.332 0.000 1.005 530 V HN 0.824 nan 8.190 nan 0.000 0.428 531 T N 4.586 119.085 114.554 -0.091 0.000 2.930 531 T HA 0.579 4.929 4.350 -0.001 0.000 0.313 531 T C -1.273 173.410 174.700 -0.028 0.000 1.019 531 T CA -0.267 61.847 62.100 0.023 0.000 1.004 531 T CB 0.666 69.634 68.868 0.167 0.000 0.987 531 T HN 0.398 nan 8.240 nan 0.000 0.456 532 V N 8.601 128.483 119.914 -0.053 0.000 2.398 532 V HA 0.497 4.616 4.120 -0.001 0.000 0.286 532 V C -2.174 173.889 176.094 -0.052 0.000 1.026 532 V CA -2.131 60.155 62.300 -0.024 0.000 0.868 532 V CB 1.457 33.279 31.823 -0.001 0.000 0.982 532 V HN 0.688 nan 8.190 nan 0.000 0.443 533 P HA 0.262 nan 4.420 nan 0.000 0.274 533 P C -0.182 177.063 177.300 -0.093 0.000 1.237 533 P CA -0.192 62.877 63.100 -0.052 0.000 0.793 533 P CB 0.546 32.239 31.700 -0.011 0.000 0.977 534 A N 1.917 124.643 122.820 -0.157 0.000 2.586 534 A HA -0.052 4.268 4.320 -0.001 0.000 0.231 534 A C 0.212 177.641 177.584 -0.259 0.000 1.055 534 A CA 0.350 52.177 52.037 -0.349 0.000 0.756 534 A CB -1.429 17.308 19.000 -0.438 0.000 0.988 534 A HN 0.849 nan 8.150 nan 0.000 0.509 535 H N -1.264 117.803 119.070 -0.005 0.000 2.580 535 H HA -0.178 4.378 4.556 -0.001 0.000 0.316 535 H C -0.092 175.238 175.328 0.004 0.000 1.073 535 H CA 1.482 57.530 56.048 -0.000 0.000 1.135 535 H CB -1.251 28.511 29.762 -0.001 0.000 1.437 535 H HN 0.565 nan 8.280 nan 0.000 0.404 536 K N -0.129 120.306 120.400 0.058 0.000 2.433 536 K HA 0.891 5.210 4.320 -0.001 0.000 0.252 536 K C -1.057 175.569 176.600 0.043 0.000 1.015 536 K CA -0.277 56.041 56.287 0.052 0.000 0.860 536 K CB 2.127 34.651 32.500 0.040 0.000 1.359 536 K HN 0.197 nan 8.250 nan 0.000 0.452 537 A N 0.952 123.800 122.820 0.048 0.000 2.374 537 A HA 0.470 4.790 4.320 -0.001 0.000 0.305 537 A C -1.720 175.909 177.584 0.075 0.000 1.053 537 A CA -0.525 51.545 52.037 0.055 0.000 0.726 537 A CB 0.636 19.656 19.000 0.034 0.000 1.229 537 A HN 0.804 nan 8.150 nan 0.000 0.431 538 H N 1.838 120.910 119.070 0.004 0.000 2.562 538 H HA 0.532 5.087 4.556 -0.001 0.000 0.314 538 H C -0.472 174.861 175.328 0.009 0.000 1.079 538 H CA 0.108 56.160 56.048 0.007 0.000 1.349 538 H CB 0.645 30.412 29.762 0.008 0.000 1.432 538 H HN 0.473 nan 8.280 nan 0.000 0.479 539 K N 4.849 124.944 120.400 -0.507 0.000 2.339 539 K HA 0.232 4.551 4.320 -0.001 0.000 0.264 539 K C -0.565 175.756 176.600 -0.464 0.000 0.986 539 K CA -0.858 55.219 56.287 -0.351 0.000 0.866 539 K CB 1.606 34.002 32.500 -0.174 0.000 1.103 539 K HN 0.637 nan 8.250 nan 0.000 0.441 540 E N 2.089 122.143 120.200 -0.244 0.000 2.207 540 E HA 0.378 4.727 4.350 -0.001 0.000 0.270 540 E C -0.837 175.744 176.600 -0.031 0.000 0.927 540 E CA -0.815 55.529 56.400 -0.093 0.000 0.799 540 E CB 2.538 32.289 29.700 0.085 0.000 1.172 540 E HN 0.187 nan 8.360 nan 0.000 0.404 541 V N 2.970 122.877 119.914 -0.011 0.000 2.715 541 V HA 0.474 4.594 4.120 -0.001 0.000 0.310 541 V C -0.105 175.997 176.094 0.013 0.000 1.054 541 V CA -0.737 61.565 62.300 0.003 0.000 0.928 541 V CB 1.896 33.717 31.823 -0.003 0.000 1.007 541 V HN 0.635 nan 8.190 nan 0.000 0.437 542 M N 4.622 124.229 119.600 0.011 0.000 2.142 542 M HA 0.569 5.048 4.480 -0.001 0.000 0.299 542 M C -0.704 175.560 176.300 -0.059 0.000 0.960 542 M CA -0.615 54.683 55.300 -0.004 0.000 0.920 542 M CB 1.286 33.894 32.600 0.014 0.000 1.541 542 M HN 0.676 nan 8.290 nan 0.000 0.429 543 R N 4.908 125.349 120.500 -0.098 0.000 2.198 543 R HA 0.485 4.824 4.340 -0.001 0.000 0.339 543 R C -1.532 174.511 176.300 -0.428 0.000 1.020 543 R CA -0.555 55.385 56.100 -0.267 0.000 0.864 543 R CB 0.749 30.907 30.300 -0.238 0.000 1.105 543 R HN 0.647 nan 8.270 nan 0.000 0.463 544 L N 4.684 125.526 121.223 -0.635 0.000 2.334 544 L HA 0.367 4.707 4.340 -0.001 0.000 0.277 544 L C -0.231 176.230 176.870 -0.682 0.000 1.075 544 L CA -0.414 54.088 54.840 -0.563 0.000 0.804 544 L CB 1.180 42.816 42.059 -0.704 0.000 1.174 544 L HN 0.775 nan 8.230 nan 0.000 0.438 545 H N 1.154 120.129 119.070 -0.159 0.000 2.622 545 H HA 0.180 4.736 4.556 -0.001 0.000 0.363 545 H C 0.215 175.273 175.328 -0.450 0.000 1.151 545 H CA -0.541 55.398 56.048 -0.182 0.000 1.184 545 H CB 1.433 31.110 29.762 -0.141 0.000 1.643 545 H HN 0.462 nan 8.280 nan 0.000 0.531 546 Y N 2.455 122.459 120.300 -0.493 0.000 2.053 546 Y HA -0.298 4.251 4.550 -0.001 0.000 0.277 546 Y C 1.759 177.272 175.900 -0.645 0.000 1.159 546 Y CA 2.366 59.908 58.100 -0.930 0.000 1.125 546 Y CB -0.175 38.009 38.460 -0.459 0.000 0.969 546 Y HN 0.807 nan 8.280 nan 0.000 0.492 547 D N -1.101 119.032 120.400 -0.446 0.000 2.351 547 D HA -0.169 4.471 4.640 -0.001 0.000 0.216 547 D C 1.049 177.148 176.300 -0.335 0.000 0.968 547 D CA 1.250 54.996 54.000 -0.423 0.000 0.899 547 D CB -0.229 40.461 40.800 -0.183 0.000 0.907 547 D HN 0.444 nan 8.370 nan 0.000 0.514 548 D N 0.557 120.780 120.400 -0.295 0.000 2.320 548 D HA -0.080 4.560 4.640 -0.001 0.000 0.228 548 D C 1.960 178.195 176.300 -0.108 0.000 0.978 548 D CA 0.627 54.539 54.000 -0.146 0.000 0.905 548 D CB -0.513 40.264 40.800 -0.037 0.000 1.051 548 D HN 0.409 nan 8.370 nan 0.000 0.471 549 Y N 0.845 121.130 120.300 -0.025 0.000 2.583 549 Y HA 0.079 4.628 4.550 -0.001 0.000 0.293 549 Y C 1.724 177.644 175.900 0.034 0.000 1.157 549 Y CA -0.019 58.101 58.100 0.033 0.000 1.315 549 Y CB -1.167 37.368 38.460 0.125 0.000 1.021 549 Y HN -0.187 nan 8.280 nan 0.000 0.536 550 V N -0.040 119.781 119.914 -0.155 0.000 2.626 550 V HA -0.197 3.922 4.120 -0.001 0.000 0.252 550 V C 2.385 178.505 176.094 0.042 0.000 1.067 550 V CA 1.803 64.088 62.300 -0.025 0.000 1.081 550 V CB -0.885 30.678 31.823 -0.433 0.000 0.686 550 V HN 0.230 nan 8.190 nan 0.000 0.468 551 R N 0.102 120.587 120.500 -0.025 0.000 2.096 551 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 551 R C 2.049 178.370 176.300 0.033 0.000 1.127 551 R CA 2.163 58.261 56.100 -0.004 0.000 0.968 551 R CB -0.515 29.769 30.300 -0.027 0.000 0.861 551 R HN 0.688 nan 8.270 nan 0.000 0.440 552 C N -2.283 117.061 119.300 0.073 0.000 3.097 552 C HA 0.360 4.819 4.460 -0.001 0.000 0.335 552 C C 0.980 176.007 174.990 0.062 0.000 1.283 552 C CA -0.935 58.120 59.018 0.063 0.000 1.778 552 C CB 0.026 27.808 27.740 0.069 0.000 2.365 552 C HN 0.063 nan 8.230 nan 0.000 0.627 553 V N 1.936 121.918 119.914 0.113 0.000 2.924 553 V HA 0.320 4.439 4.120 -0.001 0.000 0.305 553 V C 0.580 176.650 176.094 -0.040 0.000 1.073 553 V CA 0.907 63.247 62.300 0.066 0.000 1.098 553 V CB 1.669 33.599 31.823 0.180 0.000 1.000 553 V HN 0.540 nan 8.190 nan 0.000 0.484 554 S N 1.062 116.674 115.700 -0.148 0.000 2.713 554 S HA 0.256 4.725 4.470 -0.001 0.000 0.296 554 S C 1.211 175.493 174.600 -0.529 0.000 1.114 554 S CA -0.189 57.866 58.200 -0.242 0.000 0.997 554 S CB 1.041 64.133 63.200 -0.179 0.000 1.249 554 S HN 0.908 nan 8.310 nan 0.000 0.534 555 E N 0.765 120.645 120.200 -0.533 0.000 2.267 555 E HA -0.237 4.113 4.350 -0.001 0.000 0.197 555 E C 0.546 176.673 176.600 -0.787 0.000 0.998 555 E CA 1.649 57.556 56.400 -0.822 0.000 0.830 555 E CB -0.380 28.704 29.700 -1.026 0.000 0.751 555 E HN 0.555 nan 8.360 nan 0.000 0.491 556 H N 0.432 119.164 119.070 -0.563 0.000 2.553 556 H HA 0.105 4.661 4.556 -0.001 0.000 0.265 556 H C -0.136 175.055 175.328 -0.229 0.000 0.964 556 H CA 0.510 56.379 56.048 -0.299 0.000 1.156 556 H CB -0.275 29.427 29.762 -0.102 0.000 1.411 556 H HN 0.318 nan 8.280 nan 0.000 0.558 557 H N -0.774 118.214 119.070 -0.136 0.000 2.672 557 H HA -0.176 4.380 4.556 -0.001 0.000 0.325 557 H C -0.358 174.909 175.328 -0.102 0.000 1.158 557 H CA 0.337 56.277 56.048 -0.179 0.000 1.134 557 H CB -2.228 27.348 29.762 -0.310 0.000 1.553 557 H HN 0.263 nan 8.280 nan 0.000 0.419 558 L N 1.434 122.664 121.223 0.011 0.000 2.317 558 L HA 0.569 4.908 4.340 -0.001 0.000 0.281 558 L C 0.717 177.597 176.870 0.017 0.000 1.024 558 L CA -0.568 54.282 54.840 0.017 0.000 0.810 558 L CB 1.726 43.820 42.059 0.059 0.000 1.240 558 L HN 0.161 nan 8.230 nan 0.000 0.427 559 I N 3.422 124.001 120.570 0.014 0.000 2.439 559 I HA 0.341 4.510 4.170 -0.001 0.000 0.283 559 I C -0.241 175.907 176.117 0.052 0.000 1.023 559 I CA -0.459 60.866 61.300 0.042 0.000 1.100 559 I CB 1.830 39.868 38.000 0.063 0.000 1.238 559 I HN 0.534 nan 8.210 nan 0.000 0.445 560 R N 5.997 126.529 120.500 0.055 0.000 2.216 560 R HA 0.542 4.881 4.340 -0.001 0.000 0.332 560 R C -1.220 175.108 176.300 0.047 0.000 1.056 560 R CA -0.357 55.773 56.100 0.051 0.000 0.901 560 R CB 0.868 31.199 30.300 0.052 0.000 1.039 560 R HN 0.401 nan 8.270 nan 0.000 0.456 561 V N 5.341 125.281 119.914 0.043 0.000 2.472 561 V HA 0.364 4.483 4.120 -0.001 0.000 0.290 561 V C -0.147 175.949 176.094 0.004 0.000 1.037 561 V CA -0.517 61.806 62.300 0.040 0.000 0.908 561 V CB 1.657 33.519 31.823 0.065 0.000 0.985 561 V HN 0.755 nan 8.190 nan 0.000 0.454 562 K N 2.850 123.250 120.400 0.001 0.000 2.375 562 K HA 0.895 5.214 4.320 -0.001 0.000 0.249 562 K C -0.916 175.675 176.600 -0.014 0.000 0.942 562 K CA -0.673 55.597 56.287 -0.027 0.000 0.806 562 K CB 2.654 35.134 32.500 -0.034 0.000 1.227 562 K HN 0.770 nan 8.250 nan 0.000 0.430 563 A N 2.664 125.468 122.820 -0.027 0.000 2.422 563 A HA 0.591 4.911 4.320 -0.001 0.000 0.302 563 A C -1.598 175.975 177.584 -0.020 0.000 1.041 563 A CA -0.726 51.306 52.037 -0.008 0.000 0.708 563 A CB 1.236 20.238 19.000 0.004 0.000 1.257 563 A HN 0.577 nan 8.150 nan 0.000 0.414 564 L N 3.153 124.372 121.223 -0.007 0.000 2.346 564 L HA 0.580 4.919 4.340 -0.001 0.000 0.276 564 L C -1.372 175.499 176.870 0.001 0.000 1.006 564 L CA -0.716 54.118 54.840 -0.010 0.000 0.817 564 L CB 1.645 43.703 42.059 -0.001 0.000 1.272 564 L HN 0.726 nan 8.230 nan 0.000 0.421 565 L N 4.779 126.000 121.223 -0.003 0.000 2.401 565 L HA 0.305 4.644 4.340 -0.001 0.000 0.263 565 L C -0.730 176.140 176.870 -0.000 0.000 1.004 565 L CA -0.364 54.477 54.840 0.001 0.000 0.881 565 L CB 1.546 43.605 42.059 0.001 0.000 1.219 565 L HN 0.600 nan 8.230 nan 0.000 0.441 566 D N 3.980 124.383 120.400 0.005 0.000 2.359 566 D HA 0.189 4.828 4.640 -0.001 0.000 0.250 566 D C 0.263 176.566 176.300 0.006 0.000 1.264 566 D CA 0.150 54.155 54.000 0.008 0.000 0.911 566 D CB 1.350 42.160 40.800 0.016 0.000 1.056 566 D HN 0.548 nan 8.370 nan 0.000 0.499 567 A N 5.862 128.682 122.820 0.000 0.000 2.444 567 A HA 0.317 4.637 4.320 -0.001 0.000 0.273 567 A C -1.569 176.016 177.584 0.001 0.000 1.136 567 A CA -0.984 51.050 52.037 -0.005 0.000 0.799 567 A CB -0.017 18.977 19.000 -0.011 0.000 1.081 567 A HN 0.453 nan 8.150 nan 0.000 0.509 573 P HA 0.468 nan 4.420 nan 0.000 0.271 573 P C -0.630 176.652 177.300 -0.029 0.000 1.218 573 P CA 0.027 63.120 63.100 -0.011 0.000 0.780 573 P CB 1.203 32.903 31.700 0.001 0.000 0.901 574 I N 2.622 123.178 120.570 -0.025 0.000 2.433 574 I HA 0.434 4.604 4.170 -0.001 0.000 0.292 574 I C 0.418 176.512 176.117 -0.038 0.000 1.001 574 I CA -0.720 60.561 61.300 -0.031 0.000 1.119 574 I CB 1.699 39.688 38.000 -0.018 0.000 1.289 574 I HN 0.245 nan 8.210 nan 0.000 0.438 575 M N 4.221 123.788 119.600 -0.056 0.000 2.644 575 M HA 0.577 5.057 4.480 -0.001 0.000 0.304 575 M C -1.401 174.863 176.300 -0.060 0.000 1.215 575 M CA -0.245 55.008 55.300 -0.079 0.000 0.871 575 M CB 2.678 35.186 32.600 -0.154 0.000 1.740 575 M HN 0.513 nan 8.290 nan 0.000 0.464 576 T N 1.654 116.166 114.554 -0.070 0.000 3.295 576 T HA 0.486 4.835 4.350 -0.001 0.000 0.331 576 T C -1.417 173.210 174.700 -0.122 0.000 1.142 576 T CA -0.529 61.537 62.100 -0.057 0.000 1.078 576 T CB 1.804 70.663 68.868 -0.016 0.000 1.150 576 T HN 0.414 nan 8.240 nan 0.000 0.465 577 V N 1.947 121.712 119.914 -0.247 0.000 2.815 577 V HA 0.991 5.110 4.120 -0.001 0.000 0.314 577 V C -0.254 175.622 176.094 -0.364 0.000 1.064 577 V CA -0.787 61.352 62.300 -0.268 0.000 0.952 577 V CB 1.896 33.586 31.823 -0.223 0.000 1.020 577 V HN 1.122 nan 8.190 nan 0.000 0.439 578 A N 2.900 125.624 122.820 -0.159 0.000 2.455 578 A HA 0.710 5.030 4.320 -0.001 0.000 0.300 578 A C -0.912 176.672 177.584 0.001 0.000 1.040 578 A CA -0.729 51.256 52.037 -0.087 0.000 0.697 578 A CB 1.306 20.294 19.000 -0.020 0.000 1.265 578 A HN 0.741 nan 8.150 nan 0.000 0.407 579 N N 1.933 120.650 118.700 0.028 0.000 2.417 579 N HA 0.441 5.181 4.740 -0.001 0.000 0.274 579 N C -1.151 174.400 175.510 0.068 0.000 0.987 579 N CA -0.167 52.918 53.050 0.057 0.000 0.912 579 N CB 1.574 40.113 38.487 0.087 0.000 1.177 579 N HN 0.580 nan 8.380 nan 0.000 0.490 580 I N 3.792 124.380 120.570 0.031 0.000 2.307 580 I HA 0.265 4.435 4.170 -0.001 0.000 0.289 580 I C -2.209 173.833 176.117 -0.124 0.000 1.021 580 I CA -1.970 59.287 61.300 -0.071 0.000 1.224 580 I CB 1.478 39.339 38.000 -0.232 0.000 1.376 580 I HN 0.127 nan 8.210 nan 0.000 0.470 581 P HA 0.258 nan 4.420 nan 0.000 0.291 581 P C -0.780 176.393 177.300 -0.211 0.000 1.340 581 P CA -0.588 62.377 63.100 -0.224 0.000 0.799 581 P CB 0.880 32.322 31.700 -0.430 0.000 0.917 582 L N 3.234 124.368 121.223 -0.148 0.000 2.360 582 L HA 0.204 4.543 4.340 -0.001 0.000 0.276 582 L C 1.087 177.886 176.870 -0.119 0.000 1.121 582 L CA 0.389 55.150 54.840 -0.132 0.000 0.845 582 L CB -0.101 41.939 42.059 -0.031 0.000 1.143 582 L HN 0.389 nan 8.230 nan 0.000 0.452 583 S N 1.118 116.763 115.700 -0.090 0.000 2.585 583 S HA 0.608 5.077 4.470 -0.001 0.000 0.273 583 S C 0.253 174.789 174.600 -0.107 0.000 1.339 583 S CA -0.747 57.397 58.200 -0.094 0.000 1.028 583 S CB 0.677 63.861 63.200 -0.027 0.000 0.906 583 S HN 0.684 nan 8.310 nan 0.000 0.528 584 T N -1.003 113.472 114.554 -0.132 0.000 2.940 584 T HA 0.665 5.014 4.350 -0.001 0.000 0.288 584 T C -2.854 171.810 174.700 -0.059 0.000 1.033 584 T CA -1.990 60.045 62.100 -0.108 0.000 1.033 584 T CB 0.662 69.439 68.868 -0.151 0.000 1.079 584 T HN 0.542 nan 8.240 nan 0.000 0.496 585 P HA 0.189 nan 4.420 nan 0.000 0.269 585 P C -0.613 176.645 177.300 -0.070 0.000 1.215 585 P CA -0.300 62.795 63.100 -0.008 0.000 0.780 585 P CB 0.573 32.343 31.700 0.117 0.000 0.898 586 E N 1.821 122.007 120.200 -0.023 0.000 2.115 586 E HA 0.224 4.573 4.350 -0.001 0.000 0.282 586 E C -0.145 176.454 176.600 -0.002 0.000 0.987 586 E CA -0.645 55.739 56.400 -0.027 0.000 0.797 586 E CB 0.383 30.078 29.700 -0.009 0.000 1.086 586 E HN 0.370 nan 8.360 nan 0.000 0.397 587 L N 4.448 125.658 121.223 -0.021 0.000 2.514 587 L HA -0.007 4.332 4.340 -0.001 0.000 0.280 587 L C 0.501 177.403 176.870 0.055 0.000 1.223 587 L CA 0.314 55.176 54.840 0.038 0.000 0.864 587 L CB 0.147 42.240 42.059 0.057 0.000 1.118 587 L HN 0.486 nan 8.230 nan 0.000 0.494 588 L N 4.739 126.008 121.223 0.078 0.000 2.270 588 L HA 0.361 4.700 4.340 -0.001 0.000 0.286 588 L C -0.660 176.246 176.870 0.059 0.000 1.059 588 L CA -0.413 54.462 54.840 0.059 0.000 0.839 588 L CB 1.170 43.263 42.059 0.057 0.000 1.221 588 L HN 0.322 nan 8.230 nan 0.000 0.431 589 V N 5.120 125.065 119.914 0.052 0.000 2.398 589 V HA 0.440 4.560 4.120 -0.001 0.000 0.286 589 V C -0.367 175.769 176.094 0.070 0.000 1.026 589 V CA -0.543 61.791 62.300 0.057 0.000 0.868 589 V CB 1.665 33.514 31.823 0.043 0.000 0.982 589 V HN 0.740 nan 8.190 nan 0.000 0.443 590 Q N 2.961 122.827 119.800 0.110 0.000 2.289 590 Q HA 0.649 4.988 4.340 -0.001 0.000 0.270 590 Q C -1.140 174.978 176.000 0.197 0.000 1.038 590 Q CA -0.643 55.237 55.803 0.128 0.000 0.812 590 Q CB 3.233 32.036 28.738 0.108 0.000 1.300 590 Q HN 0.572 nan 8.270 nan 0.000 0.427 591 V N 3.128 123.130 119.914 0.148 0.000 2.465 591 V HA 0.393 4.513 4.120 -0.001 0.000 0.263 591 V C -2.446 173.713 176.094 0.109 0.000 0.981 591 V CA -1.774 60.614 62.300 0.147 0.000 0.838 591 V CB 0.759 32.643 31.823 0.102 0.000 1.068 591 V HN 0.646 nan 8.190 nan 0.000 0.458 592 P HA 0.408 nan 4.420 nan 0.000 0.268 592 P C 0.437 177.769 177.300 0.053 0.000 1.208 592 P CA 1.540 64.684 63.100 0.074 0.000 0.777 592 P CB 0.789 32.519 31.700 0.050 0.000 0.875 593 G N 0.847 109.667 108.800 0.034 0.000 2.755 593 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.686 593 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.686 593 G C -0.521 174.398 174.900 0.033 0.000 1.427 593 G CA -0.266 44.849 45.100 0.026 0.000 0.873 593 G HN 0.864 nan 8.290 nan 0.000 0.580 594 K N 0.347 120.767 120.400 0.034 0.000 2.511 594 K HA 0.482 4.801 4.320 -0.001 0.000 0.280 594 K C 0.787 177.427 176.600 0.068 0.000 1.008 594 K CA 0.686 57.013 56.287 0.067 0.000 1.050 594 K CB 0.121 32.634 32.500 0.023 0.000 0.889 594 K HN 1.508 nan 8.250 nan 0.000 0.484 595 A N 3.876 126.761 122.820 0.108 0.000 2.301 595 A HA 0.563 4.882 4.320 -0.001 0.000 0.312 595 A C -1.066 176.561 177.584 0.072 0.000 1.182 595 A CA -0.727 51.329 52.037 0.031 0.000 0.826 595 A CB 1.183 20.169 19.000 -0.023 0.000 1.134 595 A HN 0.483 nan 8.150 nan 0.000 0.501 596 V N 2.819 122.741 119.914 0.013 0.000 2.760 596 V HA 0.319 4.438 4.120 -0.001 0.000 0.309 596 V C -0.042 176.032 176.094 -0.032 0.000 1.077 596 V CA -0.733 61.584 62.300 0.029 0.000 0.910 596 V CB 1.979 33.831 31.823 0.048 0.000 1.008 596 V HN 0.801 nan 8.190 nan 0.000 0.424 597 V N 2.709 122.583 119.914 -0.067 0.000 2.720 597 V HA 0.006 4.125 4.120 -0.001 0.000 0.307 597 V C 0.735 176.800 176.094 -0.049 0.000 1.071 597 V CA 0.394 62.555 62.300 -0.232 0.000 1.199 597 V CB -1.190 30.453 31.823 -0.301 0.000 0.900 597 V HN 1.128 nan 8.190 nan 0.000 0.494 598 W N 0.801 122.110 121.300 0.015 0.000 4.233 598 W HA -0.197 4.462 4.660 -0.001 0.000 0.328 598 W C 0.596 177.112 176.519 -0.004 0.000 1.212 598 W CA 0.754 58.107 57.345 0.012 0.000 0.752 598 W CB -0.949 28.522 29.460 0.019 0.000 2.277 598 W HN 0.704 nan 8.180 nan 0.000 1.465 599 E N 0.190 120.474 120.200 0.141 0.000 2.155 599 E HA 0.339 4.688 4.350 -0.001 0.000 0.264 599 E C -2.105 174.487 176.600 -0.014 0.000 0.886 599 E CA -2.316 54.124 56.400 0.066 0.000 0.752 599 E CB 1.097 30.819 29.700 0.035 0.000 1.133 599 E HN -0.330 nan 8.360 nan 0.000 0.414 600 P HA -0.012 nan 4.420 nan 0.000 0.261 600 P C -1.326 175.894 177.300 -0.134 0.000 1.183 600 P CA 0.179 63.240 63.100 -0.065 0.000 0.761 600 P CB 0.239 31.931 31.700 -0.013 0.000 0.785 601 L N 1.082 122.138 121.223 -0.277 0.000 2.341 601 L HA 0.830 5.170 4.340 -0.001 0.000 0.254 601 L C -0.419 176.264 176.870 -0.312 0.000 1.040 601 L CA -0.555 54.114 54.840 -0.285 0.000 0.837 601 L CB 0.894 42.744 42.059 -0.349 0.000 1.425 601 L HN -0.001 nan 8.230 nan 0.000 0.414 602 T N 0.795 115.232 114.554 -0.196 0.000 2.809 602 T HA 0.849 5.198 4.350 -0.001 0.000 0.284 602 T C -0.349 174.187 174.700 -0.275 0.000 0.992 602 T CA -0.244 61.712 62.100 -0.239 0.000 0.957 602 T CB 1.456 70.185 68.868 -0.231 0.000 0.942 602 T HN 0.970 nan 8.240 nan 0.000 0.439 603 A N 3.224 125.887 122.820 -0.262 0.000 2.312 603 A HA 0.798 5.117 4.320 -0.001 0.000 0.326 603 A C -1.430 175.894 177.584 -0.432 0.000 1.172 603 A CA -0.625 51.337 52.037 -0.126 0.000 0.821 603 A CB 0.549 19.642 19.000 0.155 0.000 1.166 603 A HN 0.836 nan 8.150 nan 0.000 0.493 604 Y N 0.894 121.197 120.300 0.006 0.000 2.338 604 Y HA 0.508 5.057 4.550 -0.001 0.000 0.333 604 Y C 0.044 175.904 175.900 -0.066 0.000 0.968 604 Y CA -0.649 57.427 58.100 -0.040 0.000 1.123 604 Y CB 2.158 40.599 38.460 -0.031 0.000 1.165 604 Y HN 0.576 nan 8.280 nan 0.000 0.452 605 V N 3.420 123.313 119.914 -0.035 0.000 2.680 605 V HA 0.930 5.049 4.120 -0.001 0.000 0.309 605 V C -0.889 175.138 176.094 -0.112 0.000 1.052 605 V CA -0.225 62.024 62.300 -0.086 0.000 0.908 605 V CB 1.830 33.546 31.823 -0.177 0.000 1.001 605 V HN 0.809 nan 8.190 nan 0.000 0.431 606 S N 6.261 121.978 115.700 0.028 0.000 2.537 606 S HA 0.870 5.339 4.470 -0.001 0.000 0.271 606 S C -1.132 173.604 174.600 0.226 0.000 1.148 606 S CA -0.292 57.958 58.200 0.084 0.000 0.868 606 S CB 1.657 64.876 63.200 0.031 0.000 1.115 606 S HN 2.078 nan 8.310 nan 0.000 0.461 607 F N -0.502 119.437 119.950 -0.019 0.000 2.779 607 F HA 0.831 5.358 4.527 -0.001 0.000 0.316 607 F C -1.432 174.336 175.800 -0.053 0.000 1.164 607 F CA -0.792 57.185 58.000 -0.039 0.000 0.924 607 F CB 1.289 40.251 39.000 -0.063 0.000 1.348 607 F HN 0.529 nan 8.300 nan 0.000 0.467 608 T N 2.108 116.558 114.554 -0.172 0.000 2.809 608 T HA 0.256 4.606 4.350 -0.001 0.000 0.284 608 T C -0.894 173.646 174.700 -0.268 0.000 0.992 608 T CA -0.561 61.354 62.100 -0.308 0.000 0.957 608 T CB 0.710 69.520 68.868 -0.097 0.000 0.942 608 T HN 0.719 nan 8.240 nan 0.000 0.439 609 N N 5.119 123.569 118.700 -0.417 0.000 2.386 609 N HA 0.007 4.747 4.740 -0.001 0.000 0.273 609 N C -1.390 174.111 175.510 -0.014 0.000 1.331 609 N CA -1.571 51.400 53.050 -0.132 0.000 0.891 609 N CB 0.874 39.280 38.487 -0.136 0.000 1.139 609 N HN 0.276 nan 8.380 nan 0.000 0.487 610 P HA 0.053 nan 4.420 nan 0.000 0.255 610 P C -0.193 177.049 177.300 -0.097 0.000 1.248 610 P CA 0.036 63.134 63.100 -0.003 0.000 0.807 610 P CB 0.487 32.208 31.700 0.035 0.000 1.150 611 L N 2.982 124.163 121.223 -0.070 0.000 2.292 611 L HA 0.337 4.677 4.340 -0.001 0.000 0.284 611 L C -1.739 175.069 176.870 -0.105 0.000 1.065 611 L CA -2.177 52.569 54.840 -0.157 0.000 0.806 611 L CB 0.956 42.998 42.059 -0.029 0.000 1.175 611 L HN -0.173 nan 8.230 nan 0.000 0.431 612 P HA 0.091 nan 4.420 nan 0.000 0.249 612 P C -0.839 176.457 177.300 -0.008 0.000 1.593 612 P CA 0.260 63.321 63.100 -0.066 0.000 0.896 612 P CB 0.109 31.764 31.700 -0.075 0.000 1.581 613 V N -0.023 119.900 119.914 0.016 0.000 3.007 613 V HA 0.491 4.610 4.120 -0.001 0.000 0.311 613 V C -2.557 173.577 176.094 0.065 0.000 1.120 613 V CA -2.701 59.636 62.300 0.061 0.000 0.980 613 V CB 2.703 34.596 31.823 0.116 0.000 1.033 613 V HN -0.087 nan 8.190 nan 0.000 0.429 614 P HA 0.466 nan 4.420 nan 0.000 0.282 614 P C -1.365 176.001 177.300 0.110 0.000 1.249 614 P CA -0.321 62.822 63.100 0.072 0.000 0.806 614 P CB 1.183 32.918 31.700 0.058 0.000 0.984 615 L N 2.040 123.346 121.223 0.139 0.000 2.329 615 L HA 0.654 4.993 4.340 -0.001 0.000 0.279 615 L C 0.538 177.508 176.870 0.165 0.000 1.014 615 L CA -0.816 54.136 54.840 0.187 0.000 0.814 615 L CB 1.409 43.649 42.059 0.301 0.000 1.257 615 L HN 0.360 nan 8.230 nan 0.000 0.424 616 K N 0.315 120.792 120.400 0.129 0.000 2.400 616 K HA 0.843 5.162 4.320 -0.001 0.000 0.246 616 K C 0.434 177.078 176.600 0.073 0.000 0.995 616 K CA -0.663 55.688 56.287 0.106 0.000 0.840 616 K CB 1.962 34.512 32.500 0.082 0.000 1.293 616 K HN 0.685 nan 8.250 nan 0.000 0.445 617 G N -0.211 108.628 108.800 0.066 0.000 2.136 617 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.242 617 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.242 617 G C 0.403 175.275 174.900 -0.046 0.000 0.989 617 G CA -0.296 44.821 45.100 0.029 0.000 0.682 617 G HN 0.979 nan 8.290 nan 0.000 0.522 618 G N -0.296 108.509 108.800 0.007 0.000 2.248 618 G HA2 0.560 4.520 3.960 -0.001 0.000 0.260 618 G HA3 0.560 4.520 3.960 -0.001 0.000 0.260 618 G C 0.163 174.980 174.900 -0.138 0.000 1.214 618 G CA 0.650 45.704 45.100 -0.077 0.000 0.979 618 G HN 1.391 nan 8.290 nan 0.000 0.454 619 V N 1.684 121.309 119.914 -0.482 0.000 2.588 619 V HA 0.624 4.744 4.120 -0.001 0.000 0.304 619 V C -0.718 175.129 176.094 -0.413 0.000 1.042 619 V CA -1.261 60.789 62.300 -0.416 0.000 0.877 619 V CB 1.535 33.066 31.823 -0.486 0.000 0.996 619 V HN 0.502 nan 8.190 nan 0.000 0.425 620 F N 1.200 121.112 119.950 -0.062 0.000 2.443 620 F HA 0.725 5.251 4.527 -0.001 0.000 0.335 620 F C 0.661 176.408 175.800 -0.089 0.000 1.104 620 F CA -0.254 57.764 58.000 0.030 0.000 1.013 620 F CB 2.428 41.489 39.000 0.102 0.000 1.136 620 F HN 0.477 nan 8.300 nan 0.000 0.470 621 T N 5.045 119.640 114.554 0.068 0.000 2.812 621 T HA 0.605 4.955 4.350 -0.001 0.000 0.282 621 T C -0.704 173.985 174.700 -0.018 0.000 0.990 621 T CA -0.669 61.417 62.100 -0.024 0.000 0.960 621 T CB 0.978 69.789 68.868 -0.095 0.000 0.948 621 T HN 0.230 nan 8.240 nan 0.000 0.438 622 L N 3.410 124.599 121.223 -0.057 0.000 2.346 622 L HA 0.796 5.135 4.340 -0.001 0.000 0.274 622 L C 0.016 176.785 176.870 -0.169 0.000 1.007 622 L CA -0.872 53.902 54.840 -0.110 0.000 0.818 622 L CB 1.969 43.939 42.059 -0.148 0.000 1.284 622 L HN 0.854 nan 8.230 nan 0.000 0.424 623 E N 1.211 121.299 120.200 -0.185 0.000 2.401 623 E HA 0.764 5.113 4.350 -0.001 0.000 0.280 623 E C -1.220 175.265 176.600 -0.190 0.000 1.039 623 E CA -0.963 55.317 56.400 -0.199 0.000 0.814 623 E CB 2.516 32.116 29.700 -0.165 0.000 1.275 623 E HN 0.674 nan 8.360 nan 0.000 0.448 624 G N 0.293 108.989 108.800 -0.174 0.000 2.715 624 G HA2 0.556 4.516 3.960 -0.001 0.000 0.297 624 G HA3 0.556 4.516 3.960 -0.001 0.000 0.297 624 G C -0.902 173.943 174.900 -0.092 0.000 1.386 624 G CA -0.369 44.655 45.100 -0.127 0.000 1.157 624 G HN 0.717 nan 8.290 nan 0.000 0.585 625 A N 0.639 123.417 122.820 -0.069 0.000 2.548 625 A HA 0.550 4.869 4.320 -0.001 0.000 0.247 625 A C 1.769 179.341 177.584 -0.021 0.000 1.067 625 A CA 1.549 53.566 52.037 -0.033 0.000 0.757 625 A CB -0.087 18.908 19.000 -0.008 0.000 0.996 625 A HN 2.801 nan 8.150 nan 0.000 0.504 626 G N 1.190 109.978 108.800 -0.020 0.000 2.245 626 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.264 626 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.264 626 G C 0.751 175.622 174.900 -0.049 0.000 0.985 626 G CA 0.841 45.919 45.100 -0.037 0.000 0.625 626 G HN 0.701 nan 8.290 nan 0.000 0.536 627 L N -1.165 120.046 121.223 -0.020 0.000 2.488 627 L HA 0.551 4.891 4.340 -0.001 0.000 0.186 627 L C 0.854 177.727 176.870 0.006 0.000 1.124 627 L CA 1.133 56.015 54.840 0.070 0.000 0.838 627 L CB -0.106 41.999 42.059 0.077 0.000 1.107 627 L HN 0.401 nan 8.230 nan 0.000 0.494 628 L N -4.037 117.084 121.223 -0.170 0.000 2.622 628 L HA 0.496 4.836 4.340 -0.001 0.000 0.258 628 L C -0.617 176.158 176.870 -0.159 0.000 0.996 628 L CA -0.904 53.814 54.840 -0.204 0.000 0.858 628 L CB 1.198 42.977 42.059 -0.467 0.000 1.449 628 L HN -0.152 nan 8.230 nan 0.000 0.411 629 S N 0.271 115.915 115.700 -0.093 0.000 2.584 629 S HA 0.748 5.218 4.470 -0.001 0.000 0.273 629 S C 0.555 175.104 174.600 -0.085 0.000 1.311 629 S CA -0.273 57.888 58.200 -0.066 0.000 1.034 629 S CB 1.136 64.329 63.200 -0.012 0.000 0.939 629 S HN 1.234 nan 8.310 nan 0.000 0.513 630 A N 2.760 125.536 122.820 -0.073 0.000 2.608 630 A HA 0.313 4.632 4.320 -0.001 0.000 0.246 630 A C 0.450 178.002 177.584 -0.054 0.000 0.998 630 A CA 0.322 52.317 52.037 -0.069 0.000 0.796 630 A CB -0.638 18.344 19.000 -0.030 0.000 0.895 630 A HN 0.721 nan 8.150 nan 0.000 0.508 631 T N 3.719 118.231 114.554 -0.071 0.000 2.916 631 T HA 0.470 4.820 4.350 -0.001 0.000 0.298 631 T C -0.507 174.175 174.700 -0.029 0.000 1.031 631 T CA -0.467 61.607 62.100 -0.045 0.000 0.993 631 T CB 1.461 70.285 68.868 -0.072 0.000 1.045 631 T HN 0.742 nan 8.240 nan 0.000 0.454 632 Q N 1.811 121.612 119.800 0.002 0.000 2.235 632 Q HA 0.650 4.990 4.340 -0.001 0.000 0.256 632 Q C -0.749 175.276 176.000 0.042 0.000 0.951 632 Q CA -0.732 55.062 55.803 -0.015 0.000 0.890 632 Q CB 2.021 30.721 28.738 -0.064 0.000 1.279 632 Q HN 0.565 nan 8.270 nan 0.000 0.444 633 I N 2.255 122.850 120.570 0.041 0.000 2.439 633 I HA 0.252 4.421 4.170 -0.001 0.000 0.283 633 I C -1.006 175.191 176.117 0.133 0.000 1.023 633 I CA -0.738 60.645 61.300 0.138 0.000 1.100 633 I CB 1.095 39.193 38.000 0.163 0.000 1.238 633 I HN 0.537 nan 8.210 nan 0.000 0.445 634 H N 4.615 123.777 119.070 0.153 0.000 2.604 634 H HA 0.274 4.830 4.556 -0.001 0.000 0.306 634 H C -0.235 175.204 175.328 0.184 0.000 1.075 634 H CA -0.314 55.819 56.048 0.142 0.000 1.357 634 H CB 1.275 31.083 29.762 0.076 0.000 1.426 634 H HN 0.251 nan 8.280 nan 0.000 0.470 635 V N 4.385 124.489 119.914 0.318 0.000 2.485 635 V HA -0.068 4.051 4.120 -0.001 0.000 0.287 635 V C 0.318 176.540 176.094 0.215 0.000 1.022 635 V CA 0.107 62.587 62.300 0.300 0.000 1.067 635 V CB -0.373 31.662 31.823 0.353 0.000 0.967 635 V HN 0.868 nan 8.190 nan 0.000 0.479 636 N N 4.589 123.390 118.700 0.168 0.000 2.415 636 N HA 0.570 5.310 4.740 -0.001 0.000 0.246 636 N C 0.508 176.079 175.510 0.101 0.000 1.078 636 N CA 0.549 53.671 53.050 0.121 0.000 0.942 636 N CB 1.009 39.552 38.487 0.094 0.000 1.140 636 N HN 1.046 nan 8.380 nan 0.000 0.501 637 G N 1.128 109.985 108.800 0.095 0.000 2.342 637 G HA2 0.254 4.213 3.960 -0.001 0.000 0.220 637 G HA3 0.254 4.213 3.960 -0.001 0.000 0.220 637 G C -1.698 173.257 174.900 0.092 0.000 1.243 637 G CA -0.396 44.752 45.100 0.079 0.000 1.083 637 G HN 0.719 nan 8.290 nan 0.000 0.500 638 A N -1.189 121.679 122.820 0.080 0.000 2.422 638 A HA 0.789 5.109 4.320 -0.001 0.000 0.302 638 A C -0.274 177.354 177.584 0.074 0.000 1.041 638 A CA -0.080 52.010 52.037 0.089 0.000 0.708 638 A CB 1.939 20.983 19.000 0.074 0.000 1.257 638 A HN 1.879 nan 8.150 nan 0.000 0.414 639 V N 2.487 122.453 119.914 0.087 0.000 2.470 639 V HA 0.413 4.532 4.120 -0.001 0.000 0.276 639 V C 1.160 177.264 176.094 0.016 0.000 1.040 639 V CA 0.255 62.574 62.300 0.031 0.000 1.008 639 V CB 0.491 32.313 31.823 -0.002 0.000 0.990 639 V HN 1.166 nan 8.190 nan 0.000 0.477 640 A N 8.418 131.233 122.820 -0.008 0.000 2.448 640 A HA 0.466 4.785 4.320 -0.001 0.000 0.239 640 A C -2.216 175.356 177.584 -0.021 0.000 1.080 640 A CA -1.121 50.911 52.037 -0.007 0.000 0.779 640 A CB -0.355 18.637 19.000 -0.013 0.000 1.026 640 A HN 0.698 nan 8.150 nan 0.000 0.499 641 P HA 0.095 nan 4.420 nan 0.000 0.262 641 P C 0.302 177.577 177.300 -0.041 0.000 1.182 641 P CA 1.120 64.209 63.100 -0.018 0.000 0.761 641 P CB 0.452 32.146 31.700 -0.011 0.000 0.795 642 S N 0.118 115.785 115.700 -0.056 0.000 3.358 642 S HA -0.169 4.300 4.470 -0.001 0.000 0.309 642 S C 0.882 175.428 174.600 -0.088 0.000 1.247 642 S CA 1.084 59.243 58.200 -0.068 0.000 0.961 642 S CB -2.154 61.014 63.200 -0.053 0.000 1.074 642 S HN 0.896 nan 8.310 nan 0.000 0.625 643 G N 0.628 109.362 108.800 -0.111 0.000 2.389 643 G HA2 0.530 4.490 3.960 -0.001 0.000 0.317 643 G HA3 0.530 4.490 3.960 -0.001 0.000 0.317 643 G C -0.541 174.230 174.900 -0.214 0.000 1.137 643 G CA -0.735 44.290 45.100 -0.125 0.000 0.870 643 G HN 0.331 nan 8.290 nan 0.000 0.496 644 K N 1.071 121.363 120.400 -0.180 0.000 2.276 644 K HA 0.414 4.734 4.320 -0.001 0.000 0.283 644 K C -0.315 176.150 176.600 -0.225 0.000 1.044 644 K CA -0.457 55.694 56.287 -0.228 0.000 0.944 644 K CB 0.828 33.249 32.500 -0.131 0.000 1.012 644 K HN 0.194 nan 8.250 nan 0.000 0.472 645 V N 2.361 122.076 119.914 -0.330 0.000 2.532 645 V HA 0.446 4.565 4.120 -0.001 0.000 0.295 645 V C -0.644 175.423 176.094 -0.045 0.000 1.041 645 V CA -0.783 61.417 62.300 -0.166 0.000 0.926 645 V CB 1.625 33.326 31.823 -0.203 0.000 0.992 645 V HN 0.847 nan 8.190 nan 0.000 0.457 646 S N 2.337 118.034 115.700 -0.004 0.000 2.652 646 S HA 0.643 5.112 4.470 -0.001 0.000 0.273 646 S C -0.526 174.035 174.600 -0.064 0.000 1.172 646 S CA -0.689 57.486 58.200 -0.041 0.000 1.009 646 S CB 1.528 64.719 63.200 -0.013 0.000 1.094 646 S HN 0.846 nan 8.310 nan 0.000 0.471 647 V N 0.519 120.304 119.914 -0.216 0.000 3.182 647 V HA 1.000 5.119 4.120 -0.001 0.000 0.311 647 V C -1.006 174.990 176.094 -0.162 0.000 1.221 647 V CA -1.353 60.830 62.300 -0.195 0.000 1.060 647 V CB 1.685 33.301 31.823 -0.343 0.000 1.164 647 V HN 0.918 nan 8.190 nan 0.000 0.466 648 K N 0.204 120.509 120.400 -0.159 0.000 2.587 648 K HA 0.779 5.098 4.320 -0.001 0.000 0.276 648 K C -1.741 174.752 176.600 -0.178 0.000 0.956 648 K CA -0.602 55.532 56.287 -0.257 0.000 0.857 648 K CB 1.864 34.126 32.500 -0.397 0.000 1.431 648 K HN 0.804 nan 8.250 nan 0.000 0.420 649 L N 0.539 121.657 121.223 -0.175 0.000 2.409 649 L HA 0.654 4.994 4.340 -0.001 0.000 0.262 649 L C -1.151 175.732 176.870 0.022 0.000 0.992 649 L CA -0.780 54.038 54.840 -0.036 0.000 0.817 649 L CB 2.697 44.760 42.059 0.005 0.000 1.350 649 L HN 0.877 nan 8.230 nan 0.000 0.411 650 S N 1.961 117.707 115.700 0.076 0.000 2.501 650 S HA 0.887 5.357 4.470 -0.001 0.000 0.301 650 S C -1.177 173.559 174.600 0.226 0.000 1.096 650 S CA -0.381 57.859 58.200 0.067 0.000 1.063 650 S CB 1.315 64.520 63.200 0.009 0.000 1.042 650 S HN 0.427 nan 8.310 nan 0.000 0.494 651 F N -0.388 119.548 119.950 -0.023 0.000 2.807 651 F HA 0.672 5.198 4.527 -0.001 0.000 0.316 651 F C -1.132 174.677 175.800 0.015 0.000 1.162 651 F CA -0.943 57.059 58.000 0.003 0.000 0.910 651 F CB 0.876 39.871 39.000 -0.009 0.000 1.314 651 F HN 0.277 nan 8.300 nan 0.000 0.454 652 S N 2.796 118.549 115.700 0.088 0.000 2.566 652 S HA 0.585 5.054 4.470 -0.001 0.000 0.324 652 S C -2.728 171.889 174.600 0.028 0.000 1.081 652 S CA -1.184 57.019 58.200 0.004 0.000 1.105 652 S CB 1.210 64.519 63.200 0.182 0.000 0.981 652 S HN 0.424 nan 8.310 nan 0.000 0.464 653 P HA 0.073 nan 4.420 nan 0.000 0.268 653 P C 0.403 177.405 177.300 -0.495 0.000 1.189 653 P CA 0.355 63.378 63.100 -0.128 0.000 0.771 653 P CB 0.407 32.013 31.700 -0.157 0.000 0.822 654 M N 0.255 119.561 119.600 -0.490 0.000 2.657 654 M HA 0.106 4.586 4.480 -0.001 0.000 0.262 654 M C 0.884 176.749 176.300 -0.726 0.000 1.213 654 M CA 1.167 55.950 55.300 -0.860 0.000 1.182 654 M CB 0.289 32.701 32.600 -0.313 0.000 1.303 654 M HN 0.236 nan 8.290 nan 0.000 0.501 655 R N -0.681 119.595 120.500 -0.374 0.000 2.854 655 R HA 0.440 4.779 4.340 -0.001 0.000 0.271 655 R C -0.451 175.738 176.300 -0.184 0.000 0.994 655 R CA -0.469 55.494 56.100 -0.228 0.000 0.945 655 R CB 2.047 32.289 30.300 -0.096 0.000 1.194 655 R HN -0.086 nan 8.270 nan 0.000 0.476 656 T N -0.540 113.939 114.554 -0.125 0.000 2.847 656 T HA 0.685 5.034 4.350 -0.001 0.000 0.279 656 T C 0.201 174.856 174.700 -0.075 0.000 0.984 656 T CA 0.679 62.718 62.100 -0.100 0.000 0.988 656 T CB 1.016 69.848 68.868 -0.060 0.000 1.040 656 T HN 0.797 nan 8.240 nan 0.000 0.528 657 G N 0.331 109.076 108.800 -0.091 0.000 2.354 657 G HA2 0.079 4.038 3.960 -0.001 0.000 0.582 657 G HA3 0.079 4.038 3.960 -0.001 0.000 0.582 657 G C -1.185 173.665 174.900 -0.084 0.000 1.316 657 G CA -0.428 44.631 45.100 -0.068 0.000 0.995 657 G HN 0.934 nan 8.290 nan 0.000 0.573 658 V N 2.179 122.063 119.914 -0.050 0.000 2.387 658 V HA 0.465 4.585 4.120 -0.001 0.000 0.260 658 V C 0.832 176.914 176.094 -0.021 0.000 1.054 658 V CA 0.017 62.292 62.300 -0.043 0.000 0.967 658 V CB 0.167 31.979 31.823 -0.019 0.000 1.036 658 V HN 0.675 nan 8.190 nan 0.000 0.481 659 R N 4.325 124.810 120.500 -0.026 0.000 2.873 659 R HA 0.699 5.039 4.340 -0.001 0.000 0.264 659 R C -0.982 175.314 176.300 -0.007 0.000 1.026 659 R CA -1.095 54.998 56.100 -0.012 0.000 1.002 659 R CB 2.172 32.463 30.300 -0.014 0.000 1.174 659 R HN 0.424 nan 8.270 nan 0.000 0.488 660 K N 1.717 122.110 120.400 -0.012 0.000 2.345 660 K HA 0.350 4.670 4.320 -0.001 0.000 0.255 660 K C -1.078 175.503 176.600 -0.031 0.000 0.934 660 K CA -1.040 55.236 56.287 -0.018 0.000 0.801 660 K CB 2.168 34.652 32.500 -0.027 0.000 1.137 660 K HN 0.229 nan 8.250 nan 0.000 0.424 661 L N 4.005 125.216 121.223 -0.019 0.000 2.272 661 L HA 0.382 4.722 4.340 -0.001 0.000 0.289 661 L C -1.394 175.446 176.870 -0.050 0.000 1.032 661 L CA -0.633 54.185 54.840 -0.037 0.000 0.810 661 L CB 0.722 42.785 42.059 0.008 0.000 1.205 661 L HN 0.400 nan 8.230 nan 0.000 0.422 662 L N 5.928 127.100 121.223 -0.085 0.000 2.325 662 L HA 0.748 5.087 4.340 -0.001 0.000 0.278 662 L C -0.605 176.223 176.870 -0.070 0.000 1.023 662 L CA -0.403 54.386 54.840 -0.085 0.000 0.811 662 L CB 2.004 43.983 42.059 -0.134 0.000 1.249 662 L HN 0.338 nan 8.230 nan 0.000 0.431 663 V N 1.200 121.095 119.914 -0.032 0.000 2.808 663 V HA 0.482 4.602 4.120 -0.001 0.000 0.308 663 V C -1.219 174.893 176.094 0.031 0.000 1.099 663 V CA -0.752 61.558 62.300 0.017 0.000 0.920 663 V CB 2.315 34.185 31.823 0.077 0.000 1.014 663 V HN 0.788 nan 8.190 nan 0.000 0.425 664 D N 2.133 122.552 120.400 0.031 0.000 2.481 664 D HA 0.650 5.289 4.640 -0.001 0.000 0.244 664 D C -1.523 174.787 176.300 0.016 0.000 1.057 664 D CA -0.319 53.682 54.000 0.002 0.000 0.848 664 D CB 2.007 42.759 40.800 -0.080 0.000 1.388 664 D HN 0.384 nan 8.370 nan 0.000 0.475 665 F N 2.725 122.560 119.950 -0.192 0.000 2.518 665 F HA 0.485 5.011 4.527 -0.000 0.000 0.323 665 F C -1.479 174.174 175.800 -0.246 0.000 1.129 665 F CA -0.686 57.087 58.000 -0.377 0.000 0.920 665 F CB 1.776 40.420 39.000 -0.593 0.000 1.160 665 F HN 0.259 nan 8.300 nan 0.000 0.440 666 D N 2.956 122.692 120.400 -1.107 0.000 2.575 666 D HA 0.711 5.351 4.640 -0.001 0.000 0.236 666 D C -1.397 174.326 176.300 -0.961 0.000 1.075 666 D CA -0.054 53.496 54.000 -0.750 0.000 0.860 666 D CB 2.273 42.859 40.800 -0.357 0.000 1.475 666 D HN 0.649 nan 8.370 nan 0.000 0.474 667 S N 1.120 116.553 115.700 -0.445 0.000 2.656 667 S HA 0.340 4.809 4.470 -0.001 0.000 0.273 667 S C 0.418 175.006 174.600 -0.019 0.000 1.168 667 S CA -0.612 57.462 58.200 -0.211 0.000 0.817 667 S CB 1.253 64.462 63.200 0.015 0.000 1.146 667 S HN 0.417 nan 8.310 nan 0.000 0.475 668 D N 1.326 121.751 120.400 0.042 0.000 2.104 668 D HA -0.158 4.481 4.640 -0.001 0.000 0.194 668 D C 1.412 177.786 176.300 0.124 0.000 0.994 668 D CA 1.202 55.247 54.000 0.074 0.000 0.830 668 D CB -0.227 40.620 40.800 0.078 0.000 0.959 668 D HN 0.445 nan 8.370 nan 0.000 0.452 669 R N -0.482 120.127 120.500 0.181 0.000 2.265 669 R HA 0.320 4.660 4.340 -0.001 0.000 0.194 669 R C 0.464 176.983 176.300 0.365 0.000 0.931 669 R CA -0.184 56.079 56.100 0.271 0.000 1.032 669 R CB 0.690 31.157 30.300 0.280 0.000 0.980 669 R HN 0.272 nan 8.270 nan 0.000 0.497 670 L N 2.320 123.732 121.223 0.315 0.000 2.316 670 L HA 0.370 4.709 4.340 -0.001 0.000 0.280 670 L C -0.851 176.143 176.870 0.208 0.000 1.006 670 L CA -0.259 54.790 54.840 0.348 0.000 0.836 670 L CB 1.339 43.680 42.059 0.469 0.000 1.221 670 L HN -0.086 nan 8.230 nan 0.000 0.418 671 K N 2.654 123.144 120.400 0.150 0.000 2.395 671 K HA 0.415 4.735 4.320 -0.001 0.000 0.247 671 K C -0.837 175.807 176.600 0.074 0.000 0.973 671 K CA -0.956 55.373 56.287 0.070 0.000 0.828 671 K CB 1.895 34.337 32.500 -0.096 0.000 1.272 671 K HN 0.365 nan 8.250 nan 0.000 0.439 672 D N 0.499 120.996 120.400 0.163 0.000 2.760 672 D HA -0.126 4.514 4.640 -0.001 0.000 0.244 672 D C -1.637 174.712 176.300 0.082 0.000 1.096 672 D CA 0.381 54.481 54.000 0.165 0.000 0.716 672 D CB -0.606 40.196 40.800 0.004 0.000 1.075 672 D HN 0.214 nan 8.370 nan 0.000 0.434 673 V N 2.296 122.253 119.914 0.071 0.000 2.378 673 V HA 0.540 4.659 4.120 -0.001 0.000 0.288 673 V C 0.490 176.574 176.094 -0.016 0.000 1.016 673 V CA -0.592 61.696 62.300 -0.021 0.000 0.840 673 V CB 1.831 33.603 31.823 -0.085 0.000 0.994 673 V HN 0.064 nan 8.190 nan 0.000 0.431 674 K N 2.839 123.216 120.400 -0.038 0.000 2.346 674 K HA 0.944 5.264 4.320 -0.001 0.000 0.238 674 K C -0.077 176.511 176.600 -0.020 0.000 1.039 674 K CA -0.810 55.465 56.287 -0.020 0.000 0.861 674 K CB 2.583 35.069 32.500 -0.025 0.000 1.278 674 K HN 0.829 nan 8.250 nan 0.000 0.460 675 G N -0.616 108.181 108.800 -0.005 0.000 2.667 675 G HA2 0.531 4.490 3.960 -0.001 0.000 0.294 675 G HA3 0.531 4.490 3.960 -0.001 0.000 0.294 675 G C -1.578 173.319 174.900 -0.005 0.000 1.467 675 G CA -0.656 44.446 45.100 0.002 0.000 0.852 675 G HN 0.320 nan 8.290 nan 0.000 0.521 676 V N -0.979 118.931 119.914 -0.005 0.000 3.012 676 V HA 0.921 5.040 4.120 -0.001 0.000 0.307 676 V C -0.312 175.784 176.094 0.003 0.000 1.166 676 V CA -0.819 61.474 62.300 -0.011 0.000 0.974 676 V CB 1.459 33.269 31.823 -0.022 0.000 1.040 676 V HN 1.079 nan 8.190 nan 0.000 0.428 677 T N 0.803 115.360 114.554 0.006 0.000 2.900 677 T HA 0.611 4.961 4.350 -0.001 0.000 0.303 677 T C -0.800 173.909 174.700 0.015 0.000 1.142 677 T CA -0.153 61.958 62.100 0.018 0.000 1.007 677 T CB 2.114 71.002 68.868 0.033 0.000 1.156 677 T HN 0.904 nan 8.240 nan 0.000 0.490 678 T N 2.697 117.262 114.554 0.017 0.000 2.767 678 T HA 0.622 4.972 4.350 -0.001 0.000 0.284 678 T C -0.740 173.969 174.700 0.014 0.000 0.973 678 T CA -0.445 61.663 62.100 0.012 0.000 0.996 678 T CB 0.954 69.829 68.868 0.012 0.000 0.927 678 T HN 0.434 nan 8.240 nan 0.000 0.456 679 V N 4.198 124.116 119.914 0.007 0.000 2.443 679 V HA 0.298 4.418 4.120 -0.001 0.000 0.293 679 V C -0.069 175.999 176.094 -0.043 0.000 1.021 679 V CA -0.932 61.368 62.300 0.001 0.000 0.848 679 V CB 1.842 33.681 31.823 0.028 0.000 0.998 679 V HN 0.727 nan 8.190 nan 0.000 0.424 680 V N 5.919 125.786 119.914 -0.079 0.000 2.405 680 V HA 0.199 4.319 4.120 -0.001 0.000 0.264 680 V C 0.289 176.189 176.094 -0.323 0.000 1.048 680 V CA -0.295 61.890 62.300 -0.193 0.000 0.966 680 V CB 1.227 32.920 31.823 -0.217 0.000 1.015 680 V HN 0.610 nan 8.190 nan 0.000 0.477 681 V N 6.476 126.233 119.914 -0.261 0.000 2.432 681 V HA 0.302 4.422 4.120 -0.001 0.000 0.271 681 V C 0.405 176.330 176.094 -0.282 0.000 1.046 681 V CA -0.410 61.757 62.300 -0.222 0.000 0.945 681 V CB 0.266 32.006 31.823 -0.139 0.000 0.992 681 V HN 0.794 nan 8.190 nan 0.000 0.471 682 H N 4.326 123.376 119.070 -0.034 0.000 2.585 682 H HA 0.619 5.175 4.556 -0.001 0.000 0.338 682 H C -0.258 175.058 175.328 -0.021 0.000 1.295 682 H CA -0.779 55.256 56.048 -0.021 0.000 1.356 682 H CB 1.342 31.096 29.762 -0.013 0.000 1.736 682 H HN 0.397 nan 8.280 nan 0.000 0.629 683 K N 1.202 121.707 120.400 0.175 0.000 1.176 683 K HA -0.067 4.253 4.320 -0.001 0.000 1.054 683 K C -0.822 175.824 176.600 0.076 0.000 0.564 683 K CA -0.212 56.136 56.287 0.100 0.000 0.796 683 K CB -0.234 32.316 32.500 0.083 0.000 3.508 683 K HN 0.586 nan 8.250 nan 0.000 0.110 684 K N 0.000 120.442 120.400 0.070 0.000 2.780 684 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 684 K CA 0.000 56.319 56.287 0.053 0.000 0.838 684 K CB 0.000 32.525 32.500 0.041 0.000 1.064 684 K HN 0.000 nan 8.250 nan 0.000 0.543