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 3pm9_1_A DATA FIRST_RESID 11 DATA SEQUENCE TLSPELIARF TAIVGDKHAL TDPLELEAYI TEERNLYRGH SPLVLRPGST DATA SEQUENCE EEVVAICKLA NEARVALVPQ GGNTGLVGGQ TPHNGEVVIS LKRXDKIREI DATA SEQUENCE DTSSNTITVE AGAILQRVQE KAAEVDRLFP LSLGAQGSCT IGGNLSTNAG DATA SEQUENCE GTAALAYGLA RDXALGVEVV LADGRVXNLL SKLKKDNTGY DLRDLFIGAE DATA SEQUENCE GTLGIITAAT LKLFPKPRAV ETAFVGLQSP DDALKLLGIA QGEAAGNLTS DATA SEQUENCE FELIAETPLD FSVRHANNRD PLEARYPWYV LIELSSPRDD ARAALESILE DATA SEQUENCE RGFEDGIVVD AAIANSVQQQ QAFWKLREEI SPAQKPEGGS IKHDISVPVA DATA SEQUENCE AVPQFIEQAN AAVVALIPGA RPVPFGHLGD GNIHYNVSQP VGADKAEFLA DATA SEQUENCE RWHDVSQVVF EVVLRLGGSI SAEHGIGVXK RDELAEVKDK TAIELXRSIK DATA SEQUENCE ALLDPHGIXN PGKVV 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.727 174.700 0.046 0.000 1.109 11 T CA 0.000 62.128 62.100 0.046 0.000 1.349 11 T CB 0.000 68.894 68.868 0.044 0.000 0.612 12 L N 3.495 124.750 121.223 0.053 0.000 2.410 12 L HA 0.574 4.914 4.340 0.000 0.000 0.273 12 L C 0.684 177.587 176.870 0.056 0.000 1.144 12 L CA 0.366 55.244 54.840 0.064 0.000 0.863 12 L CB 0.564 42.670 42.059 0.078 0.000 1.140 12 L HN 0.730 nan 8.230 nan 0.000 0.463 13 S N 4.947 120.677 115.700 0.051 0.000 2.585 13 S HA 0.366 4.836 4.470 0.000 0.000 0.273 13 S C -1.756 172.866 174.600 0.035 0.000 1.339 13 S CA -0.829 57.391 58.200 0.034 0.000 1.028 13 S CB 0.609 63.821 63.200 0.020 0.000 0.906 13 S HN 0.626 nan 8.310 nan 0.000 0.528 14 P HA -0.151 nan 4.420 nan 0.000 0.216 14 P C 1.491 178.797 177.300 0.011 0.000 1.150 14 P CA 1.530 64.642 63.100 0.020 0.000 0.843 14 P CB 0.023 31.730 31.700 0.011 0.000 0.787 15 E N 0.005 120.203 120.200 -0.002 0.000 2.033 15 E HA -0.193 4.157 4.350 0.000 0.000 0.199 15 E C 1.872 178.444 176.600 -0.046 0.000 1.011 15 E CA 1.463 57.849 56.400 -0.024 0.000 0.815 15 E CB -1.169 28.514 29.700 -0.029 0.000 0.755 15 E HN 0.115 nan 8.360 nan 0.000 0.451 16 L N 0.124 121.326 121.223 -0.035 0.000 2.093 16 L HA -0.112 4.228 4.340 0.000 0.000 0.208 16 L C 2.625 179.514 176.870 0.032 0.000 1.085 16 L CA 0.949 55.740 54.840 -0.082 0.000 0.755 16 L CB -0.410 41.662 42.059 0.022 0.000 0.904 16 L HN 0.247 nan 8.230 nan 0.000 0.435 17 I N 0.036 120.676 120.570 0.117 0.000 2.163 17 I HA -0.312 3.858 4.170 0.000 0.000 0.243 17 I C 2.838 179.017 176.117 0.104 0.000 1.085 17 I CA 1.255 62.652 61.300 0.161 0.000 1.347 17 I CB -0.497 37.559 38.000 0.094 0.000 1.044 17 I HN 0.219 nan 8.210 nan 0.000 0.408 18 A N 0.944 123.785 122.820 0.035 0.000 1.908 18 A HA -0.212 4.108 4.320 0.000 0.000 0.218 18 A C 2.401 179.980 177.584 -0.008 0.000 1.181 18 A CA 1.571 53.616 52.037 0.012 0.000 0.627 18 A CB -0.578 18.418 19.000 -0.007 0.000 0.818 18 A HN 0.338 nan 8.150 nan 0.000 0.445 19 R N -1.877 118.578 120.500 -0.076 0.000 2.092 19 R HA -0.054 4.286 4.340 0.000 0.000 0.231 19 R C 1.826 178.049 176.300 -0.128 0.000 1.119 19 R CA 1.419 57.432 56.100 -0.146 0.000 0.970 19 R CB -0.426 29.720 30.300 -0.257 0.000 0.864 19 R HN 0.539 nan 8.270 nan 0.000 0.440 20 F N 0.705 120.653 119.950 -0.003 0.000 2.146 20 F HA -0.110 4.417 4.527 0.000 0.000 0.298 20 F C 2.564 178.364 175.800 -0.001 0.000 1.096 20 F CA 1.237 59.235 58.000 -0.004 0.000 1.275 20 F CB -0.875 38.120 39.000 -0.010 0.000 1.008 20 F HN -0.073 nan 8.300 nan 0.000 0.480 21 T N -0.019 114.645 114.554 0.182 0.000 2.720 21 T HA -0.227 4.123 4.350 0.000 0.000 0.268 21 T C 2.291 177.035 174.700 0.074 0.000 1.037 21 T CA 1.433 63.594 62.100 0.102 0.000 1.144 21 T CB -0.699 68.209 68.868 0.066 0.000 0.864 21 T HN 0.286 nan 8.240 nan 0.000 0.444 22 A N 0.951 123.801 122.820 0.050 0.000 1.933 22 A HA -0.007 4.313 4.320 0.000 0.000 0.218 22 A C 2.273 179.883 177.584 0.043 0.000 1.175 22 A CA 1.123 53.179 52.037 0.032 0.000 0.628 22 A CB -0.750 18.253 19.000 0.006 0.000 0.814 22 A HN 0.541 nan 8.150 nan 0.000 0.444 23 I N -0.054 120.551 120.570 0.058 0.000 2.226 23 I HA -0.214 3.956 4.170 0.000 0.000 0.245 23 I C 2.209 178.366 176.117 0.068 0.000 1.100 23 I CA 1.772 63.109 61.300 0.061 0.000 1.374 23 I CB -0.069 37.985 38.000 0.090 0.000 1.057 23 I HN 0.355 nan 8.210 nan 0.000 0.413 24 V N -2.190 117.777 119.914 0.089 0.000 3.661 24 V HA 0.548 4.668 4.120 0.000 0.000 0.271 24 V C 0.792 176.994 176.094 0.180 0.000 1.315 24 V CA 0.177 62.538 62.300 0.102 0.000 1.072 24 V CB -0.511 31.369 31.823 0.095 0.000 0.830 24 V HN 0.455 nan 8.190 nan 0.000 0.443 25 G N 2.237 111.114 108.800 0.128 0.000 3.039 25 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 25 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 25 G C 0.109 175.031 174.900 0.036 0.000 1.066 25 G CA 0.116 45.276 45.100 0.101 0.000 0.774 25 G HN 0.629 nan 8.290 nan 0.000 0.591 26 D N 1.469 121.860 120.400 -0.015 0.000 2.182 26 D HA -0.156 4.484 4.640 0.000 0.000 0.201 26 D C 1.770 178.010 176.300 -0.101 0.000 0.986 26 D CA 1.534 55.512 54.000 -0.036 0.000 0.847 26 D CB -0.026 40.757 40.800 -0.030 0.000 0.942 26 D HN 0.674 nan 8.370 nan 0.000 0.467 27 K N -0.441 119.824 120.400 -0.225 0.000 2.209 27 K HA -0.122 4.198 4.320 0.000 0.000 0.204 27 K C 0.829 177.193 176.600 -0.392 0.000 1.048 27 K CA 1.026 57.099 56.287 -0.358 0.000 0.940 27 K CB -0.200 31.984 32.500 -0.527 0.000 0.729 27 K HN 0.495 nan 8.250 nan 0.000 0.451 28 H N -1.316 117.753 119.070 -0.002 0.000 2.469 28 H HA 0.357 4.913 4.556 0.000 0.000 0.286 28 H C -0.688 174.621 175.328 -0.032 0.000 1.106 28 H CA -0.428 55.612 56.048 -0.013 0.000 1.055 28 H CB 0.948 30.706 29.762 -0.008 0.000 1.618 28 H HN 0.030 nan 8.280 nan 0.000 0.559 29 A N 1.874 124.708 122.820 0.024 0.000 2.545 29 A HA 0.420 4.740 4.320 0.000 0.000 0.300 29 A C -0.738 176.830 177.584 -0.026 0.000 1.252 29 A CA -0.622 51.414 52.037 -0.002 0.000 0.753 29 A CB 0.202 19.217 19.000 0.024 0.000 1.144 29 A HN 0.284 nan 8.150 nan 0.000 0.457 30 L N 2.428 123.615 121.223 -0.060 0.000 2.292 30 L HA 0.530 4.870 4.340 0.000 0.000 0.284 30 L C 1.302 178.147 176.870 -0.042 0.000 1.065 30 L CA -0.066 54.744 54.840 -0.049 0.000 0.806 30 L CB 1.568 43.586 42.059 -0.069 0.000 1.175 30 L HN 0.846 nan 8.230 nan 0.000 0.431 31 T N -3.781 110.765 114.554 -0.013 0.000 3.009 31 T HA 0.051 4.401 4.350 0.000 0.000 0.267 31 T C 0.282 174.988 174.700 0.011 0.000 0.942 31 T CA -0.402 61.697 62.100 -0.002 0.000 0.883 31 T CB 0.177 69.048 68.868 0.005 0.000 1.192 31 T HN 0.401 nan 8.240 nan 0.000 0.524 32 D N 3.186 123.595 120.400 0.015 0.000 2.371 32 D HA 0.264 4.904 4.640 0.000 0.000 0.256 32 D C -1.525 174.794 176.300 0.032 0.000 1.193 32 D CA -2.229 51.784 54.000 0.021 0.000 0.881 32 D CB 1.794 42.607 40.800 0.021 0.000 1.143 32 D HN -0.023 nan 8.370 nan 0.000 0.473 33 P HA -0.153 nan 4.420 nan 0.000 0.217 33 P C 1.575 178.901 177.300 0.044 0.000 1.148 33 P CA 1.038 64.161 63.100 0.038 0.000 0.834 33 P CB 0.184 31.901 31.700 0.029 0.000 0.783 34 L N -0.861 120.384 121.223 0.037 0.000 2.093 34 L HA -0.158 4.182 4.340 0.000 0.000 0.208 34 L C 2.265 179.167 176.870 0.053 0.000 1.085 34 L CA 1.556 56.418 54.840 0.037 0.000 0.755 34 L CB -0.830 41.245 42.059 0.027 0.000 0.904 34 L HN 0.067 nan 8.230 nan 0.000 0.435 35 E N 0.134 120.375 120.200 0.068 0.000 2.122 35 E HA -0.095 4.255 4.350 0.000 0.000 0.190 35 E C 2.338 179.053 176.600 0.191 0.000 0.977 35 E CA 0.582 57.048 56.400 0.111 0.000 0.820 35 E CB 0.026 29.783 29.700 0.095 0.000 0.770 35 E HN 0.425 nan 8.360 nan 0.000 0.462 36 L N 1.098 122.410 121.223 0.149 0.000 2.201 36 L HA -0.159 4.181 4.340 0.000 0.000 0.212 36 L C 2.456 179.438 176.870 0.187 0.000 1.105 36 L CA 0.707 55.659 54.840 0.187 0.000 0.775 36 L CB -0.239 41.873 42.059 0.089 0.000 0.913 36 L HN 0.100 nan 8.230 nan 0.000 0.440 37 E N 1.123 121.387 120.200 0.106 0.000 2.114 37 E HA -0.266 4.084 4.350 0.000 0.000 0.199 37 E C 2.090 178.701 176.600 0.018 0.000 1.008 37 E CA 1.761 58.194 56.400 0.056 0.000 0.810 37 E CB -0.110 29.610 29.700 0.033 0.000 0.739 37 E HN 0.405 nan 8.360 nan 0.000 0.456 38 A N -1.287 121.514 122.820 -0.032 0.000 2.119 38 A HA -0.081 4.239 4.320 0.000 0.000 0.217 38 A C 1.443 178.835 177.584 -0.321 0.000 1.153 38 A CA 1.148 53.061 52.037 -0.206 0.000 0.692 38 A CB -0.483 18.314 19.000 -0.338 0.000 0.799 38 A HN 0.430 nan 8.150 nan 0.000 0.458 39 Y N -0.746 119.548 120.300 -0.011 0.000 2.524 39 Y HA 0.204 4.755 4.550 0.000 0.000 0.270 39 Y C 1.924 177.801 175.900 -0.039 0.000 1.094 39 Y CA 0.409 58.494 58.100 -0.024 0.000 1.276 39 Y CB 0.030 38.474 38.460 -0.027 0.000 1.130 39 Y HN 0.390 nan 8.280 nan 0.000 0.536 40 I N -2.512 118.122 120.570 0.107 0.000 3.793 40 I HA 0.198 4.368 4.170 0.000 0.000 0.315 40 I C 0.531 176.653 176.117 0.009 0.000 1.275 40 I CA 0.599 61.919 61.300 0.032 0.000 1.214 40 I CB 0.263 38.288 38.000 0.042 0.000 1.018 40 I HN -0.000 nan 8.210 nan 0.000 0.439 41 T N 1.400 115.962 114.554 0.013 0.000 2.865 41 T HA 0.452 4.802 4.350 0.000 0.000 0.294 41 T C -1.015 173.687 174.700 0.002 0.000 1.119 41 T CA -0.602 61.507 62.100 0.015 0.000 1.007 41 T CB 1.859 70.737 68.868 0.017 0.000 1.225 41 T HN 0.466 nan 8.240 nan 0.000 0.515 42 E N 0.845 121.054 120.200 0.015 0.000 2.393 42 E HA 0.532 4.882 4.350 0.000 0.000 0.265 42 E C 1.055 177.657 176.600 0.003 0.000 0.941 42 E CA -0.102 56.303 56.400 0.007 0.000 0.801 42 E CB 0.340 30.058 29.700 0.029 0.000 1.313 42 E HN 0.676 nan 8.360 nan 0.000 0.435 43 E N 0.426 120.626 120.200 0.000 0.000 2.049 43 E HA -0.278 4.072 4.350 0.000 0.000 0.198 43 E C 2.172 178.777 176.600 0.008 0.000 1.007 43 E CA 3.205 59.606 56.400 0.003 0.000 0.809 43 E CB -1.218 28.486 29.700 0.007 0.000 0.749 43 E HN 0.695 nan 8.360 nan 0.000 0.450 44 R N 0.548 121.054 120.500 0.010 0.000 2.323 44 R HA 0.045 4.385 4.340 0.000 0.000 0.198 44 R C 1.370 177.664 176.300 -0.011 0.000 0.988 44 R CA 0.774 56.878 56.100 0.008 0.000 1.041 44 R CB -0.976 29.329 30.300 0.009 0.000 0.926 44 R HN 0.597 nan 8.270 nan 0.000 0.476 45 N N -0.592 118.103 118.700 -0.009 0.000 2.721 45 N HA -0.183 4.557 4.740 0.000 0.000 0.249 45 N C 0.656 176.128 175.510 -0.063 0.000 1.072 45 N CA 1.131 54.170 53.050 -0.017 0.000 0.710 45 N CB -1.675 36.805 38.487 -0.013 0.000 0.993 45 N HN 0.560 nan 8.380 nan 0.000 0.547 46 L N -1.622 119.546 121.223 -0.091 0.000 2.023 46 L HA -0.033 4.307 4.340 0.000 0.000 0.205 46 L C 0.515 177.149 176.870 -0.393 0.000 1.073 46 L CA 1.411 56.088 54.840 -0.272 0.000 0.745 46 L CB -0.155 41.745 42.059 -0.265 0.000 0.900 46 L HN 0.151 nan 8.230 nan 0.000 0.435 47 Y N -1.564 118.742 120.300 0.009 0.000 2.536 47 Y HA 0.550 5.100 4.550 0.000 0.000 0.347 47 Y C -0.122 175.802 175.900 0.040 0.000 1.000 47 Y CA -1.037 57.098 58.100 0.057 0.000 1.051 47 Y CB 1.529 40.098 38.460 0.182 0.000 1.259 47 Y HN -0.153 nan 8.280 nan 0.000 0.468 48 R N 1.174 121.812 120.500 0.230 0.000 2.435 48 R HA 0.629 4.969 4.340 0.000 0.000 0.308 48 R C -0.403 175.986 176.300 0.149 0.000 0.975 48 R CA -0.341 55.841 56.100 0.137 0.000 0.867 48 R CB 0.747 31.105 30.300 0.097 0.000 1.171 48 R HN 0.949 nan 8.270 nan 0.000 0.470 49 G N 1.954 110.790 108.800 0.060 0.000 2.642 49 G HA2 0.387 4.347 3.960 0.000 0.000 0.291 49 G HA3 0.387 4.347 3.960 0.000 0.000 0.291 49 G C -1.024 173.926 174.900 0.084 0.000 1.345 49 G CA -0.423 44.676 45.100 -0.000 0.000 1.043 49 G HN 0.757 nan 8.290 nan 0.000 0.528 50 H N -2.258 116.805 119.070 -0.011 0.000 2.894 50 H HA 0.733 5.289 4.556 0.000 0.000 0.367 50 H C -1.643 173.677 175.328 -0.014 0.000 1.144 50 H CA -0.789 55.259 56.048 -0.001 0.000 1.180 50 H CB 1.615 31.385 29.762 0.013 0.000 1.758 50 H HN 0.578 nan 8.280 nan 0.000 0.541 51 S N 2.079 117.822 115.700 0.073 0.000 2.533 51 S HA 0.333 4.803 4.470 0.000 0.000 0.271 51 S C -2.311 172.307 174.600 0.029 0.000 1.143 51 S CA -1.088 57.116 58.200 0.007 0.000 0.891 51 S CB 1.894 65.068 63.200 -0.043 0.000 1.105 51 S HN 0.646 nan 8.310 nan 0.000 0.468 52 P HA 0.334 nan 4.420 nan 0.000 0.251 52 P C -0.452 176.842 177.300 -0.011 0.000 1.223 52 P CA 0.092 63.203 63.100 0.018 0.000 0.796 52 P CB 0.121 31.839 31.700 0.030 0.000 1.068 53 L N -0.733 120.459 121.223 -0.053 0.000 2.666 53 L HA 0.359 4.699 4.340 0.000 0.000 0.259 53 L C -1.715 175.057 176.870 -0.164 0.000 0.919 53 L CA -0.844 53.941 54.840 -0.092 0.000 0.927 53 L CB 2.300 44.306 42.059 -0.089 0.000 1.423 53 L HN -0.407 nan 8.230 nan 0.000 0.426 54 V N 5.636 125.428 119.914 -0.203 0.000 2.448 54 V HA 0.564 4.684 4.120 0.000 0.000 0.295 54 V C -0.347 175.589 176.094 -0.263 0.000 1.025 54 V CA -0.478 61.629 62.300 -0.322 0.000 0.859 54 V CB 1.727 33.187 31.823 -0.605 0.000 0.988 54 V HN 0.605 nan 8.190 nan 0.000 0.431 55 L N 5.734 126.816 121.223 -0.235 0.000 2.322 55 L HA 0.643 4.983 4.340 0.000 0.000 0.281 55 L C 0.172 176.968 176.870 -0.122 0.000 1.014 55 L CA -0.648 54.105 54.840 -0.146 0.000 0.815 55 L CB 1.829 43.803 42.059 -0.142 0.000 1.247 55 L HN 0.557 nan 8.230 nan 0.000 0.421 56 R N 3.123 123.590 120.500 -0.055 0.000 2.860 56 R HA 0.286 4.626 4.340 0.000 0.000 0.282 56 R C -2.484 173.778 176.300 -0.062 0.000 1.408 56 R CA -1.649 54.427 56.100 -0.040 0.000 1.636 56 R CB 0.454 30.762 30.300 0.012 0.000 1.187 56 R HN 0.341 nan 8.270 nan 0.000 0.611 57 P HA -0.002 nan 4.420 nan 0.000 0.270 57 P C 0.365 177.603 177.300 -0.104 0.000 1.223 57 P CA 0.154 63.214 63.100 -0.067 0.000 0.785 57 P CB 1.004 32.681 31.700 -0.037 0.000 0.923 58 G N -0.490 108.240 108.800 -0.116 0.000 3.519 58 G HA2 0.352 4.312 3.960 0.000 0.000 0.269 58 G HA3 0.352 4.312 3.960 0.000 0.000 0.269 58 G C -0.178 174.678 174.900 -0.072 0.000 1.028 58 G CA 0.026 45.054 45.100 -0.120 0.000 0.809 58 G HN 0.751 nan 8.290 nan 0.000 0.521 59 S N -2.710 112.958 115.700 -0.053 0.000 2.597 59 S HA 0.313 4.783 4.470 0.000 0.000 0.274 59 S C 0.603 175.185 174.600 -0.031 0.000 1.132 59 S CA 0.111 58.288 58.200 -0.038 0.000 0.835 59 S CB 1.052 64.233 63.200 -0.031 0.000 1.092 59 S HN -0.126 nan 8.310 nan 0.000 0.457 60 T N 1.198 115.734 114.554 -0.030 0.000 2.759 60 T HA -0.124 4.226 4.350 0.000 0.000 0.269 60 T C 1.565 176.253 174.700 -0.019 0.000 1.042 60 T CA 1.923 64.006 62.100 -0.028 0.000 1.140 60 T CB -0.563 68.285 68.868 -0.032 0.000 0.864 60 T HN 0.778 nan 8.240 nan 0.000 0.455 61 E N 1.015 121.205 120.200 -0.016 0.000 2.085 61 E HA -0.226 4.124 4.350 0.000 0.000 0.194 61 E C 2.035 178.634 176.600 -0.001 0.000 0.994 61 E CA 1.374 57.769 56.400 -0.009 0.000 0.801 61 E CB -0.031 29.664 29.700 -0.009 0.000 0.743 61 E HN 0.602 nan 8.360 nan 0.000 0.453 62 E N -0.228 119.971 120.200 -0.002 0.000 2.107 62 E HA -0.131 4.220 4.350 0.000 0.000 0.191 62 E C 2.208 178.818 176.600 0.018 0.000 0.982 62 E CA 1.056 57.462 56.400 0.010 0.000 0.809 62 E CB 0.179 29.880 29.700 0.002 0.000 0.756 62 E HN 0.149 nan 8.360 nan 0.000 0.459 63 V N 0.956 120.872 119.914 0.002 0.000 2.343 63 V HA -0.235 3.885 4.120 0.000 0.000 0.247 63 V C 2.314 178.418 176.094 0.017 0.000 1.051 63 V CA 1.251 63.553 62.300 0.004 0.000 1.036 63 V CB -0.353 31.462 31.823 -0.014 0.000 0.654 63 V HN 0.135 nan 8.190 nan 0.000 0.451 64 V N 0.376 120.296 119.914 0.010 0.000 2.261 64 V HA -0.285 3.835 4.120 0.000 0.000 0.246 64 V C 2.743 178.856 176.094 0.032 0.000 1.047 64 V CA 2.159 64.468 62.300 0.014 0.000 1.015 64 V CB -1.207 30.618 31.823 0.003 0.000 0.642 64 V HN 0.565 nan 8.190 nan 0.000 0.446 65 A N -0.205 122.635 122.820 0.034 0.000 1.908 65 A HA -0.214 4.106 4.320 0.000 0.000 0.218 65 A C 2.189 179.823 177.584 0.084 0.000 1.181 65 A CA 2.138 54.201 52.037 0.043 0.000 0.627 65 A CB -0.601 18.420 19.000 0.035 0.000 0.818 65 A HN 0.518 nan 8.150 nan 0.000 0.445 66 I N -0.685 119.957 120.570 0.120 0.000 2.127 66 I HA -0.354 3.816 4.170 0.000 0.000 0.241 66 I C 2.599 178.843 176.117 0.213 0.000 1.075 66 I CA 1.451 62.887 61.300 0.227 0.000 1.334 66 I CB -0.516 37.567 38.000 0.138 0.000 1.040 66 I HN 0.401 nan 8.210 nan 0.000 0.405 67 C N 0.749 120.117 119.300 0.113 0.000 2.432 67 C HA -0.162 4.299 4.460 0.000 0.000 0.277 67 C C 2.749 177.798 174.990 0.098 0.000 1.249 67 C CA 0.815 59.889 59.018 0.094 0.000 1.725 67 C CB -0.981 26.790 27.740 0.052 0.000 2.028 67 C HN 0.422 nan 8.230 nan 0.000 0.477 68 K N 0.253 120.698 120.400 0.074 0.000 2.063 68 K HA -0.199 4.121 4.320 0.000 0.000 0.208 68 K C 1.860 178.496 176.600 0.059 0.000 1.048 68 K CA 1.270 57.592 56.287 0.059 0.000 0.928 68 K CB -0.398 32.123 32.500 0.035 0.000 0.713 68 K HN 0.347 nan 8.250 nan 0.000 0.442 69 L N 0.850 122.108 121.223 0.059 0.000 2.044 69 L HA -0.056 4.284 4.340 0.000 0.000 0.205 69 L C 2.199 179.118 176.870 0.080 0.000 1.075 69 L CA 1.765 56.605 54.840 0.000 0.000 0.747 69 L CB -0.735 41.234 42.059 -0.149 0.000 0.903 69 L HN 0.106 nan 8.230 nan 0.000 0.435 70 A N -0.412 122.546 122.820 0.230 0.000 1.908 70 A HA -0.283 4.037 4.320 0.000 0.000 0.218 70 A C 2.202 179.880 177.584 0.157 0.000 1.181 70 A CA 1.998 54.193 52.037 0.264 0.000 0.627 70 A CB -1.026 18.116 19.000 0.237 0.000 0.818 70 A HN 0.613 nan 8.150 nan 0.000 0.445 71 N N -0.363 118.422 118.700 0.143 0.000 2.188 71 N HA -0.170 4.570 4.740 0.000 0.000 0.184 71 N C 1.773 177.377 175.510 0.157 0.000 1.018 71 N CA 1.757 54.916 53.050 0.182 0.000 0.858 71 N CB -0.235 38.354 38.487 0.169 0.000 0.989 71 N HN 0.671 nan 8.380 nan 0.000 0.426 72 E N -0.764 119.488 120.200 0.086 0.000 2.072 72 E HA -0.030 4.320 4.350 0.000 0.000 0.190 72 E C 1.110 177.703 176.600 -0.012 0.000 0.982 72 E CA 0.928 57.343 56.400 0.025 0.000 0.803 72 E CB -0.125 29.583 29.700 0.013 0.000 0.755 72 E HN 0.407 nan 8.360 nan 0.000 0.453 73 A N 0.591 123.416 122.820 0.010 0.000 2.251 73 A HA 0.104 4.424 4.320 0.000 0.000 0.209 73 A C 0.341 177.937 177.584 0.019 0.000 1.187 73 A CA -0.100 51.939 52.037 0.004 0.000 0.823 73 A CB 0.055 19.058 19.000 0.006 0.000 0.846 73 A HN 0.184 nan 8.150 nan 0.000 0.486 74 R N -1.525 118.987 120.500 0.021 0.000 3.525 74 R HA -0.133 4.207 4.340 0.000 0.000 0.276 74 R C -0.580 175.755 176.300 0.059 0.000 1.116 74 R CA 0.791 56.906 56.100 0.026 0.000 0.745 74 R CB -3.048 27.240 30.300 -0.020 0.000 1.185 74 R HN 0.298 nan 8.270 nan 0.000 0.454 75 V N 0.903 120.876 119.914 0.097 0.000 2.406 75 V HA 0.522 4.642 4.120 0.000 0.000 0.272 75 V C 1.176 177.311 176.094 0.069 0.000 1.043 75 V CA -0.317 62.046 62.300 0.105 0.000 0.915 75 V CB 1.668 33.615 31.823 0.206 0.000 0.988 75 V HN 0.412 nan 8.190 nan 0.000 0.466 76 A N 6.830 129.670 122.820 0.033 0.000 2.401 76 A HA 0.676 4.996 4.320 0.000 0.000 0.259 76 A C -0.400 177.167 177.584 -0.029 0.000 1.103 76 A CA -0.174 51.869 52.037 0.010 0.000 0.789 76 A CB 0.080 19.082 19.000 0.003 0.000 1.035 76 A HN 0.804 nan 8.150 nan 0.000 0.491 77 L N 2.364 123.569 121.223 -0.030 0.000 2.334 77 L HA 0.593 4.933 4.340 0.000 0.000 0.273 77 L C -0.798 176.042 176.870 -0.051 0.000 1.013 77 L CA -0.931 53.870 54.840 -0.064 0.000 0.816 77 L CB 2.075 44.102 42.059 -0.054 0.000 1.278 77 L HN 0.382 nan 8.230 nan 0.000 0.431 78 V N 2.882 122.755 119.914 -0.069 0.000 2.380 78 V HA 0.310 4.430 4.120 0.000 0.000 0.286 78 V C -2.307 173.762 176.094 -0.043 0.000 1.015 78 V CA -1.631 60.638 62.300 -0.052 0.000 0.834 78 V CB 1.577 33.358 31.823 -0.070 0.000 1.009 78 V HN 0.563 nan 8.190 nan 0.000 0.428 79 P HA 0.283 nan 4.420 nan 0.000 0.271 79 P C -0.847 176.455 177.300 0.003 0.000 1.216 79 P CA -0.030 63.064 63.100 -0.010 0.000 0.771 79 P CB 0.578 32.281 31.700 0.005 0.000 0.864 80 Q N 1.748 121.556 119.800 0.013 0.000 2.315 80 Q HA 0.581 4.921 4.340 0.000 0.000 0.273 80 Q C -0.369 175.661 176.000 0.049 0.000 1.053 80 Q CA -0.697 55.128 55.803 0.038 0.000 0.817 80 Q CB 1.590 30.366 28.738 0.063 0.000 1.326 80 Q HN 0.501 nan 8.270 nan 0.000 0.423 81 G N 1.417 110.245 108.800 0.046 0.000 2.992 81 G HA2 0.251 4.211 3.960 0.000 0.000 0.201 81 G HA3 0.251 4.211 3.960 0.000 0.000 0.201 81 G C 0.623 175.550 174.900 0.045 0.000 2.057 81 G CA 0.259 45.386 45.100 0.044 0.000 0.800 81 G HN 0.724 nan 8.290 nan 0.000 0.700 82 G N -0.308 108.512 108.800 0.033 0.000 2.744 82 G HA2 0.064 4.024 3.960 0.000 0.000 0.211 82 G HA3 0.064 4.024 3.960 0.000 0.000 0.211 82 G C 0.838 175.742 174.900 0.005 0.000 1.143 82 G CA 0.908 46.019 45.100 0.019 0.000 0.788 82 G HN 0.702 nan 8.290 nan 0.000 0.534 83 N N -0.169 118.540 118.700 0.015 0.000 2.735 83 N HA -0.194 4.546 4.740 0.000 0.000 0.248 83 N C 1.230 176.742 175.510 0.004 0.000 1.083 83 N CA 1.466 54.520 53.050 0.005 0.000 0.703 83 N CB -1.457 37.014 38.487 -0.026 0.000 1.005 83 N HN 0.443 nan 8.380 nan 0.000 0.550 84 T N -4.047 110.517 114.554 0.016 0.000 3.054 84 T HA 0.392 4.742 4.350 0.000 0.000 0.255 84 T C 1.048 175.758 174.700 0.017 0.000 1.035 84 T CA 0.141 62.251 62.100 0.018 0.000 0.941 84 T CB 0.229 69.114 68.868 0.027 0.000 1.026 84 T HN 0.437 nan 8.240 nan 0.000 0.533 85 G N 1.231 110.047 108.800 0.026 0.000 2.491 85 G HA2 0.446 4.406 3.960 0.000 0.000 0.238 85 G HA3 0.446 4.406 3.960 0.000 0.000 0.238 85 G C 0.283 175.191 174.900 0.014 0.000 1.277 85 G CA -0.525 44.593 45.100 0.030 0.000 0.851 85 G HN 0.523 nan 8.290 nan 0.000 0.573 86 L N 1.724 122.932 121.223 -0.024 0.000 2.965 86 L HA 0.186 4.526 4.340 0.000 0.000 0.254 86 L C 1.033 177.945 176.870 0.071 0.000 1.220 86 L CA -0.190 54.622 54.840 -0.046 0.000 1.023 86 L CB 0.497 42.378 42.059 -0.297 0.000 1.355 86 L HN 0.501 nan 8.230 nan 0.000 0.545 87 V N -4.746 115.246 119.914 0.131 0.000 3.111 87 V HA 0.528 4.648 4.120 0.000 0.000 0.343 87 V C 1.063 177.262 176.094 0.176 0.000 1.417 87 V CA 0.098 62.514 62.300 0.194 0.000 1.142 87 V CB 0.142 32.060 31.823 0.159 0.000 1.114 87 V HN 0.313 nan 8.190 nan 0.000 0.520 88 G N 0.606 109.518 108.800 0.187 0.000 2.203 88 G HA2 -0.257 3.704 3.960 0.000 0.000 0.263 88 G HA3 -0.257 3.704 3.960 0.000 0.000 0.263 88 G C 1.019 175.936 174.900 0.027 0.000 1.012 88 G CA 0.638 45.762 45.100 0.040 0.000 0.749 88 G HN 1.296 nan 8.290 nan 0.000 0.512 89 G N -0.010 108.812 108.800 0.037 0.000 2.403 89 G HA2 0.032 3.993 3.960 0.000 0.000 0.216 89 G HA3 0.032 3.993 3.960 0.000 0.000 0.216 89 G C 1.506 176.409 174.900 0.004 0.000 1.154 89 G CA 1.468 46.584 45.100 0.026 0.000 0.784 89 G HN 0.904 nan 8.290 nan 0.000 0.538 90 Q N 0.866 120.663 119.800 -0.004 0.000 2.246 90 Q HA 0.105 4.445 4.340 0.000 0.000 0.202 90 Q C -0.354 175.604 176.000 -0.070 0.000 0.883 90 Q CA 0.158 55.950 55.803 -0.019 0.000 0.952 90 Q CB -0.452 28.292 28.738 0.009 0.000 1.078 90 Q HN 0.180 nan 8.270 nan 0.000 0.493 91 T N 4.759 119.217 114.554 -0.159 0.000 2.795 91 T HA 0.399 4.749 4.350 0.000 0.000 0.282 91 T C -2.739 171.676 174.700 -0.476 0.000 0.980 91 T CA -1.473 60.432 62.100 -0.324 0.000 1.012 91 T CB 1.706 70.304 68.868 -0.449 0.000 0.936 91 T HN 0.146 nan 8.240 nan 0.000 0.457 92 P HA 0.249 nan 4.420 nan 0.000 0.280 92 P C 0.282 177.334 177.300 -0.413 0.000 1.386 92 P CA -0.391 62.529 63.100 -0.300 0.000 0.899 92 P CB 0.357 31.939 31.700 -0.196 0.000 1.098 93 H N 1.677 120.617 119.070 -0.217 0.000 2.551 93 H HA 0.097 4.653 4.556 0.000 0.000 0.266 93 H C 0.312 175.402 175.328 -0.398 0.000 0.964 93 H CA 0.556 56.455 56.048 -0.249 0.000 1.180 93 H CB 0.325 29.985 29.762 -0.169 0.000 1.408 93 H HN 0.363 nan 8.280 nan 0.000 0.563 94 N N -0.468 118.057 118.700 -0.292 0.000 2.646 94 N HA 0.143 4.883 4.740 0.000 0.000 0.296 94 N C 0.264 175.687 175.510 -0.145 0.000 1.886 94 N CA 0.532 53.447 53.050 -0.225 0.000 0.855 94 N CB 0.281 38.755 38.487 -0.023 0.000 1.336 94 N HN 0.337 nan 8.380 nan 0.000 0.496 95 G N 0.736 109.382 108.800 -0.256 0.000 2.176 95 G HA2 -0.278 3.683 3.960 0.000 0.000 0.252 95 G HA3 -0.278 3.683 3.960 0.000 0.000 0.252 95 G C -0.201 174.678 174.900 -0.036 0.000 1.024 95 G CA 0.294 45.392 45.100 -0.003 0.000 0.755 95 G HN 0.495 nan 8.290 nan 0.000 0.507 96 E N -1.025 119.120 120.200 -0.092 0.000 2.318 96 E HA 0.531 4.881 4.350 0.000 0.000 0.265 96 E C 0.437 176.975 176.600 -0.103 0.000 1.069 96 E CA -0.758 55.593 56.400 -0.082 0.000 0.893 96 E CB 1.708 31.354 29.700 -0.090 0.000 1.076 96 E HN 0.114 nan 8.360 nan 0.000 0.414 97 V N 2.669 122.504 119.914 -0.132 0.000 2.461 97 V HA 0.099 4.219 4.120 0.000 0.000 0.275 97 V C -0.120 175.860 176.094 -0.190 0.000 1.047 97 V CA -0.608 61.572 62.300 -0.200 0.000 0.955 97 V CB 1.182 32.793 31.823 -0.353 0.000 0.988 97 V HN 0.395 nan 8.190 nan 0.000 0.471 98 V N 6.415 126.220 119.914 -0.181 0.000 2.530 98 V HA 0.300 4.420 4.120 0.000 0.000 0.282 98 V C 0.157 176.144 176.094 -0.178 0.000 1.048 98 V CA -0.307 61.900 62.300 -0.156 0.000 0.997 98 V CB 1.327 33.064 31.823 -0.143 0.000 0.987 98 V HN 0.562 nan 8.190 nan 0.000 0.477 99 I N 4.322 124.816 120.570 -0.126 0.000 2.388 99 I HA 0.260 4.430 4.170 0.000 0.000 0.281 99 I C 0.418 176.498 176.117 -0.062 0.000 1.046 99 I CA 0.295 61.529 61.300 -0.109 0.000 1.187 99 I CB 0.990 38.937 38.000 -0.089 0.000 1.351 99 I HN 0.607 nan 8.210 nan 0.000 0.472 100 S N 5.795 121.455 115.700 -0.066 0.000 2.537 100 S HA 0.513 4.983 4.470 0.000 0.000 0.275 100 S C 0.678 175.279 174.600 0.002 0.000 1.272 100 S CA -0.363 57.841 58.200 0.007 0.000 1.050 100 S CB 0.811 64.047 63.200 0.061 0.000 0.961 100 S HN 0.534 nan 8.310 nan 0.000 0.496 101 L N 5.036 126.270 121.223 0.019 0.000 2.769 101 L HA 0.322 4.662 4.340 0.000 0.000 0.240 101 L C 1.872 178.748 176.870 0.009 0.000 1.163 101 L CA -0.064 54.777 54.840 0.002 0.000 0.962 101 L CB -0.009 42.050 42.059 -0.001 0.000 1.258 101 L HN 0.653 nan 8.230 nan 0.000 0.513 102 K N 0.353 120.773 120.400 0.033 0.000 2.211 102 K HA -0.075 4.245 4.320 0.000 0.000 0.204 102 K C 0.924 177.531 176.600 0.012 0.000 1.047 102 K CA 0.893 57.201 56.287 0.035 0.000 0.935 102 K CB 0.032 32.575 32.500 0.072 0.000 0.728 102 K HN 0.354 nan 8.250 nan 0.000 0.452 106 K N 0.953 121.333 120.400 -0.033 0.000 2.326 106 K HA 0.301 4.621 4.320 0.000 0.000 0.275 106 K C -0.123 176.452 176.600 -0.042 0.000 1.018 106 K CA -0.432 55.834 56.287 -0.034 0.000 0.962 106 K CB 0.670 33.152 32.500 -0.031 0.000 0.953 106 K HN -0.014 nan 8.250 nan 0.000 0.475 107 I N 5.617 126.161 120.570 -0.043 0.000 2.304 107 I HA 0.146 4.316 4.170 0.000 0.000 0.291 107 I C 1.196 177.287 176.117 -0.044 0.000 1.018 107 I CA 0.058 61.326 61.300 -0.053 0.000 1.260 107 I CB 1.119 39.086 38.000 -0.055 0.000 1.390 107 I HN 0.773 nan 8.210 nan 0.000 0.475 108 R N 3.401 123.874 120.500 -0.045 0.000 2.112 108 R HA 0.151 4.491 4.340 0.000 0.000 0.216 108 R C 0.323 176.603 176.300 -0.034 0.000 1.080 108 R CA 0.521 56.599 56.100 -0.037 0.000 0.996 108 R CB 0.621 30.899 30.300 -0.036 0.000 0.902 108 R HN 0.652 nan 8.270 nan 0.000 0.449 109 E N 0.368 120.545 120.200 -0.038 0.000 2.381 109 E HA 0.253 4.603 4.350 0.000 0.000 0.286 109 E C -1.630 174.948 176.600 -0.037 0.000 0.960 109 E CA -0.399 55.982 56.400 -0.033 0.000 0.793 109 E CB 1.595 31.278 29.700 -0.029 0.000 1.225 109 E HN -0.019 nan 8.360 nan 0.000 0.420 110 I N 3.236 123.788 120.570 -0.030 0.000 2.410 110 I HA 0.290 4.460 4.170 0.000 0.000 0.286 110 I C -0.872 175.232 176.117 -0.021 0.000 1.009 110 I CA -0.800 60.483 61.300 -0.028 0.000 1.111 110 I CB 1.611 39.596 38.000 -0.025 0.000 1.262 110 I HN 0.380 nan 8.210 nan 0.000 0.443 111 D N 4.664 125.052 120.400 -0.021 0.000 2.414 111 D HA 0.171 4.811 4.640 0.000 0.000 0.232 111 D C 1.058 177.349 176.300 -0.015 0.000 1.070 111 D CA -0.330 53.660 54.000 -0.017 0.000 0.839 111 D CB 1.612 42.400 40.800 -0.019 0.000 1.079 111 D HN 0.655 nan 8.370 nan 0.000 0.521 112 T N -0.096 114.452 114.554 -0.010 0.000 3.088 112 T HA 0.007 4.357 4.350 0.000 0.000 0.259 112 T C 1.542 176.237 174.700 -0.009 0.000 1.122 112 T CA 0.387 62.483 62.100 -0.006 0.000 1.095 112 T CB 0.195 69.064 68.868 0.000 0.000 0.930 112 T HN 0.127 nan 8.240 nan 0.000 0.508 113 S N 1.671 117.364 115.700 -0.011 0.000 2.371 113 S HA 0.055 4.525 4.470 0.000 0.000 0.221 113 S C 2.293 176.881 174.600 -0.019 0.000 1.036 113 S CA 0.798 58.990 58.200 -0.012 0.000 0.965 113 S CB -0.244 62.950 63.200 -0.010 0.000 0.845 113 S HN 0.549 nan 8.310 nan 0.000 0.475 114 S N 1.583 117.270 115.700 -0.022 0.000 2.489 114 S HA 0.113 4.583 4.470 0.000 0.000 0.228 114 S C 0.249 174.823 174.600 -0.043 0.000 0.995 114 S CA 0.007 58.189 58.200 -0.029 0.000 0.934 114 S CB -0.210 62.975 63.200 -0.025 0.000 0.771 114 S HN 0.464 nan 8.310 nan 0.000 0.522 115 N N 2.287 120.963 118.700 -0.039 0.000 2.699 115 N HA -0.115 4.625 4.740 0.000 0.000 0.257 115 N C -0.521 174.956 175.510 -0.055 0.000 1.077 115 N CA 1.249 54.268 53.050 -0.052 0.000 0.702 115 N CB -1.397 37.038 38.487 -0.086 0.000 0.886 115 N HN 0.670 nan 8.380 nan 0.000 0.549 116 T N -2.175 112.360 114.554 -0.032 0.000 2.864 116 T HA 0.821 5.171 4.350 0.000 0.000 0.299 116 T C -0.132 174.551 174.700 -0.029 0.000 1.166 116 T CA -0.884 61.200 62.100 -0.026 0.000 1.007 116 T CB 3.105 71.957 68.868 -0.027 0.000 1.219 116 T HN 0.233 nan 8.240 nan 0.000 0.506 117 I N 0.873 121.418 120.570 -0.042 0.000 2.610 117 I HA 0.518 4.688 4.170 0.000 0.000 0.289 117 I C -1.330 174.738 176.117 -0.081 0.000 1.163 117 I CA -0.412 60.844 61.300 -0.073 0.000 1.044 117 I CB 2.161 40.090 38.000 -0.118 0.000 1.251 117 I HN 0.844 nan 8.210 nan 0.000 0.424 118 T N 7.045 121.557 114.554 -0.069 0.000 2.771 118 T HA 0.648 4.998 4.350 0.000 0.000 0.281 118 T C -0.603 174.054 174.700 -0.073 0.000 0.982 118 T CA -0.458 61.605 62.100 -0.062 0.000 0.978 118 T CB 1.348 70.189 68.868 -0.044 0.000 0.930 118 T HN 0.499 nan 8.240 nan 0.000 0.447 119 V N 0.705 120.572 119.914 -0.077 0.000 3.114 119 V HA 0.674 4.794 4.120 0.000 0.000 0.308 119 V C -0.636 175.423 176.094 -0.059 0.000 1.168 119 V CA -1.314 60.940 62.300 -0.078 0.000 1.015 119 V CB 2.013 33.769 31.823 -0.112 0.000 1.050 119 V HN 0.778 nan 8.190 nan 0.000 0.433 120 E N 1.177 121.346 120.200 -0.051 0.000 2.349 120 E HA 0.557 4.907 4.350 0.000 0.000 0.262 120 E C 1.265 177.844 176.600 -0.035 0.000 1.088 120 E CA -0.042 56.333 56.400 -0.041 0.000 0.899 120 E CB 1.817 31.494 29.700 -0.038 0.000 1.044 120 E HN 0.973 nan 8.360 nan 0.000 0.420 121 A N 2.286 125.089 122.820 -0.027 0.000 1.948 121 A HA -0.166 4.154 4.320 0.000 0.000 0.220 121 A C 1.932 179.512 177.584 -0.008 0.000 1.177 121 A CA 1.985 54.013 52.037 -0.015 0.000 0.636 121 A CB -0.788 18.205 19.000 -0.013 0.000 0.815 121 A HN 0.731 nan 8.150 nan 0.000 0.449 122 G N -1.062 107.731 108.800 -0.011 0.000 2.920 122 G HA2 0.378 4.338 3.960 0.000 0.000 0.208 122 G HA3 0.378 4.338 3.960 0.000 0.000 0.208 122 G C 0.638 175.534 174.900 -0.007 0.000 1.159 122 G CA 0.518 45.616 45.100 -0.003 0.000 0.784 122 G HN 0.819 nan 8.290 nan 0.000 0.535 123 A N 0.482 123.290 122.820 -0.019 0.000 2.520 123 A HA 0.432 4.753 4.320 0.000 0.000 0.245 123 A C 0.354 177.930 177.584 -0.014 0.000 1.072 123 A CA -0.126 51.895 52.037 -0.026 0.000 0.761 123 A CB 0.116 19.085 19.000 -0.052 0.000 1.004 123 A HN 0.290 nan 8.150 nan 0.000 0.499 124 I N 3.507 124.072 120.570 -0.007 0.000 2.471 124 I HA -0.032 4.138 4.170 0.000 0.000 0.286 124 I C 1.497 177.621 176.117 0.011 0.000 1.079 124 I CA -0.350 60.954 61.300 0.007 0.000 1.398 124 I CB 0.976 38.981 38.000 0.008 0.000 1.403 124 I HN 0.857 nan 8.210 nan 0.000 0.530 125 L N 6.112 127.357 121.223 0.037 0.000 2.089 125 L HA -0.278 4.062 4.340 0.000 0.000 0.213 125 L C 2.348 179.259 176.870 0.069 0.000 1.079 125 L CA 2.058 56.943 54.840 0.073 0.000 0.758 125 L CB -0.694 41.429 42.059 0.107 0.000 0.891 125 L HN 0.760 nan 8.230 nan 0.000 0.433 126 Q N -0.793 119.033 119.800 0.043 0.000 2.119 126 Q HA -0.263 4.077 4.340 0.000 0.000 0.201 126 Q C 2.453 178.466 176.000 0.021 0.000 0.972 126 Q CA 1.721 57.543 55.803 0.032 0.000 0.847 126 Q CB -0.148 28.602 28.738 0.021 0.000 0.903 126 Q HN 0.573 nan 8.270 nan 0.000 0.433 127 R N -0.583 119.922 120.500 0.008 0.000 2.090 127 R HA -0.073 4.267 4.340 0.000 0.000 0.228 127 R C 2.072 178.359 176.300 -0.020 0.000 1.110 127 R CA 1.122 57.218 56.100 -0.006 0.000 0.973 127 R CB -0.010 30.282 30.300 -0.012 0.000 0.869 127 R HN 0.165 nan 8.270 nan 0.000 0.440 128 V N 1.237 121.127 119.914 -0.040 0.000 2.343 128 V HA -0.267 3.853 4.120 0.000 0.000 0.247 128 V C 2.240 178.315 176.094 -0.033 0.000 1.051 128 V CA 1.909 64.148 62.300 -0.103 0.000 1.036 128 V CB -0.504 31.168 31.823 -0.251 0.000 0.654 128 V HN 0.450 nan 8.190 nan 0.000 0.451 129 Q N -0.321 119.514 119.800 0.059 0.000 2.096 129 Q HA -0.263 4.077 4.340 0.000 0.000 0.204 129 Q C 2.296 178.324 176.000 0.047 0.000 0.982 129 Q CA 2.021 57.886 55.803 0.104 0.000 0.850 129 Q CB -0.206 28.585 28.738 0.090 0.000 0.901 129 Q HN 0.705 nan 8.270 nan 0.000 0.422 130 E N 0.366 120.579 120.200 0.021 0.000 2.051 130 E HA -0.170 4.180 4.350 0.000 0.000 0.192 130 E C 2.013 178.616 176.600 0.006 0.000 0.991 130 E CA 0.805 57.211 56.400 0.010 0.000 0.799 130 E CB 0.107 29.809 29.700 0.004 0.000 0.748 130 E HN 0.119 nan 8.360 nan 0.000 0.449 131 K N 0.466 120.863 120.400 -0.004 0.000 2.097 131 K HA -0.081 4.239 4.320 0.000 0.000 0.206 131 K C 2.104 178.704 176.600 -0.001 0.000 1.049 131 K CA 1.048 57.329 56.287 -0.010 0.000 0.933 131 K CB -0.405 32.077 32.500 -0.029 0.000 0.717 131 K HN 0.098 nan 8.250 nan 0.000 0.442 132 A N 1.618 124.445 122.820 0.011 0.000 1.883 132 A HA -0.134 4.186 4.320 0.000 0.000 0.217 132 A C 2.446 180.053 177.584 0.038 0.000 1.186 132 A CA 2.285 54.345 52.037 0.039 0.000 0.624 132 A CB -0.699 18.360 19.000 0.098 0.000 0.822 132 A HN 0.309 nan 8.150 nan 0.000 0.444 133 A N -0.332 122.508 122.820 0.033 0.000 1.933 133 A HA -0.178 4.142 4.320 0.000 0.000 0.218 133 A C 1.854 179.449 177.584 0.017 0.000 1.175 133 A CA 1.644 53.696 52.037 0.024 0.000 0.628 133 A CB -0.553 18.457 19.000 0.016 0.000 0.814 133 A HN 0.655 nan 8.150 nan 0.000 0.444 134 E N -0.436 119.771 120.200 0.012 0.000 2.265 134 E HA -0.084 4.266 4.350 0.000 0.000 0.196 134 E C 1.068 177.673 176.600 0.009 0.000 0.996 134 E CA 1.228 57.633 56.400 0.008 0.000 0.832 134 E CB -0.113 29.588 29.700 0.003 0.000 0.756 134 E HN 0.638 nan 8.360 nan 0.000 0.491 135 V N -1.998 117.923 119.914 0.012 0.000 3.043 135 V HA 0.208 4.328 4.120 0.000 0.000 0.357 135 V C -0.230 175.875 176.094 0.018 0.000 1.372 135 V CA -0.150 62.157 62.300 0.012 0.000 1.214 135 V CB -0.022 31.806 31.823 0.008 0.000 1.224 135 V HN 0.040 nan 8.190 nan 0.000 0.507 136 D N 1.244 121.657 120.400 0.021 0.000 2.699 136 D HA -0.169 4.471 4.640 0.000 0.000 0.239 136 D C 0.185 176.508 176.300 0.038 0.000 1.136 136 D CA 0.902 54.918 54.000 0.027 0.000 0.668 136 D CB -0.318 40.496 40.800 0.023 0.000 1.060 136 D HN 0.632 nan 8.370 nan 0.000 0.429 137 R N -0.484 120.044 120.500 0.046 0.000 2.869 137 R HA 0.804 5.144 4.340 0.000 0.000 0.263 137 R C -0.884 175.463 176.300 0.078 0.000 1.066 137 R CA -1.029 55.112 56.100 0.069 0.000 0.960 137 R CB 0.853 31.195 30.300 0.070 0.000 1.221 137 R HN 0.149 nan 8.270 nan 0.000 0.474 138 L N 0.773 122.063 121.223 0.112 0.000 2.385 138 L HA 0.536 4.876 4.340 0.000 0.000 0.273 138 L C -1.473 175.486 176.870 0.150 0.000 0.990 138 L CA -0.546 54.338 54.840 0.072 0.000 0.821 138 L CB 1.547 43.594 42.059 -0.021 0.000 1.279 138 L HN 0.492 nan 8.230 nan 0.000 0.412 139 F N 7.996 127.917 119.950 -0.049 0.000 2.308 139 F HA 0.595 5.122 4.527 0.000 0.000 0.370 139 F C -1.698 173.980 175.800 -0.202 0.000 1.100 139 F CA -2.330 55.642 58.000 -0.047 0.000 1.108 139 F CB 1.103 40.094 39.000 -0.014 0.000 1.293 139 F HN 0.497 nan 8.300 nan 0.000 0.478 140 P HA -0.081 nan 4.420 nan 0.000 0.233 140 P C 0.433 177.287 177.300 -0.743 0.000 1.167 140 P CA 0.385 62.883 63.100 -1.005 0.000 0.770 140 P CB 0.205 30.763 31.700 -1.903 0.000 0.837 141 L N 0.794 121.505 121.223 -0.853 0.000 2.600 141 L HA 0.201 4.541 4.340 0.000 0.000 0.278 141 L C 0.095 176.822 176.870 -0.239 0.000 1.139 141 L CA 0.168 54.729 54.840 -0.465 0.000 0.933 141 L CB -0.690 41.131 42.059 -0.396 0.000 1.266 141 L HN -0.164 nan 8.230 nan 0.000 0.471 142 S N 5.541 121.134 115.700 -0.179 0.000 2.503 142 S HA 0.830 5.300 4.470 0.000 0.000 0.301 142 S C -0.842 173.724 174.600 -0.056 0.000 1.087 142 S CA -0.662 57.472 58.200 -0.111 0.000 1.042 142 S CB 0.972 64.081 63.200 -0.151 0.000 1.043 142 S HN 0.719 nan 8.310 nan 0.000 0.489 143 L N 3.037 124.252 121.223 -0.012 0.000 2.630 143 L HA 0.662 5.002 4.340 0.000 0.000 0.258 143 L C 1.058 177.962 176.870 0.057 0.000 1.072 143 L CA -0.511 54.353 54.840 0.040 0.000 0.885 143 L CB 0.922 43.015 42.059 0.057 0.000 1.502 143 L HN 0.784 nan 8.230 nan 0.000 0.406 144 G N -0.147 108.713 108.800 0.099 0.000 2.394 144 G HA2 -0.024 3.936 3.960 0.000 0.000 0.215 144 G HA3 -0.024 3.936 3.960 0.000 0.000 0.215 144 G C 0.785 175.731 174.900 0.077 0.000 1.165 144 G CA 0.725 45.885 45.100 0.100 0.000 0.784 144 G HN 0.687 nan 8.290 nan 0.000 0.535 145 A N 0.033 122.900 122.820 0.078 0.000 2.411 145 A HA 0.350 4.670 4.320 0.000 0.000 0.251 145 A C 1.811 179.424 177.584 0.049 0.000 1.317 145 A CA 0.264 52.337 52.037 0.059 0.000 0.904 145 A CB -0.233 18.803 19.000 0.059 0.000 0.993 145 A HN 0.419 nan 8.150 nan 0.000 0.504 146 Q N -0.278 119.549 119.800 0.046 0.000 2.197 146 Q HA -0.244 4.096 4.340 0.000 0.000 0.211 146 Q C 2.062 178.082 176.000 0.032 0.000 0.993 146 Q CA 1.734 57.560 55.803 0.040 0.000 0.883 146 Q CB -0.326 28.429 28.738 0.028 0.000 0.916 146 Q HN 0.735 nan 8.270 nan 0.000 0.418 147 G N -0.424 108.391 108.800 0.026 0.000 2.448 147 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 147 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 147 G C 1.267 176.177 174.900 0.017 0.000 1.127 147 G CA 1.275 46.387 45.100 0.020 0.000 0.766 147 G HN 0.474 nan 8.290 nan 0.000 0.552 148 S N -1.476 114.236 115.700 0.020 0.000 2.651 148 S HA 0.077 4.547 4.470 0.000 0.000 0.259 148 S C 1.101 175.714 174.600 0.021 0.000 1.073 148 S CA 0.060 58.269 58.200 0.015 0.000 1.090 148 S CB -0.610 62.593 63.200 0.005 0.000 1.042 148 S HN 0.662 nan 8.310 nan 0.000 0.581 149 C N 3.713 123.033 119.300 0.033 0.000 2.605 149 C HA 0.766 5.226 4.460 0.000 0.000 0.404 149 C C 0.901 175.916 174.990 0.042 0.000 1.284 149 C CA -0.180 58.863 59.018 0.041 0.000 2.199 149 C CB -0.057 27.717 27.740 0.056 0.000 2.647 149 C HN 0.551 nan 8.230 nan 0.000 0.604 150 T N 1.063 115.642 114.554 0.043 0.000 2.950 150 T HA 0.471 4.821 4.350 0.000 0.000 0.288 150 T C 1.068 175.796 174.700 0.047 0.000 1.035 150 T CA -0.831 61.291 62.100 0.036 0.000 1.028 150 T CB 0.863 69.748 68.868 0.027 0.000 1.109 150 T HN 0.562 nan 8.240 nan 0.000 0.514 151 I N 1.313 121.903 120.570 0.034 0.000 2.226 151 I HA -0.033 4.137 4.170 0.000 0.000 0.245 151 I C 2.738 178.884 176.117 0.048 0.000 1.100 151 I CA 1.903 63.229 61.300 0.044 0.000 1.374 151 I CB -1.885 36.113 38.000 -0.003 0.000 1.057 151 I HN 0.978 nan 8.210 nan 0.000 0.413 152 G N 0.562 109.382 108.800 0.032 0.000 2.422 152 G HA2 -0.160 3.800 3.960 0.000 0.000 0.218 152 G HA3 -0.160 3.800 3.960 0.000 0.000 0.218 152 G C 1.739 176.668 174.900 0.049 0.000 1.146 152 G CA 0.837 45.957 45.100 0.034 0.000 0.769 152 G HN 0.477 nan 8.290 nan 0.000 0.547 153 G N 0.722 109.552 108.800 0.051 0.000 2.404 153 G HA2 -0.191 3.769 3.960 0.000 0.000 0.215 153 G HA3 -0.191 3.769 3.960 0.000 0.000 0.215 153 G C 1.650 176.593 174.900 0.072 0.000 1.174 153 G CA 0.977 46.112 45.100 0.058 0.000 0.780 153 G HN 0.553 nan 8.290 nan 0.000 0.537 154 N N 0.137 118.885 118.700 0.080 0.000 2.104 154 N HA -0.046 4.694 4.740 0.000 0.000 0.190 154 N C 2.205 177.771 175.510 0.094 0.000 1.024 154 N CA 0.775 53.881 53.050 0.094 0.000 0.853 154 N CB -0.176 38.380 38.487 0.115 0.000 1.008 154 N HN 0.232 nan 8.380 nan 0.000 0.424 155 L N 0.371 121.649 121.223 0.092 0.000 2.056 155 L HA -0.090 4.250 4.340 0.000 0.000 0.207 155 L C 2.273 179.197 176.870 0.090 0.000 1.078 155 L CA 0.857 55.753 54.840 0.093 0.000 0.749 155 L CB -0.330 41.783 42.059 0.090 0.000 0.901 155 L HN 0.136 nan 8.230 nan 0.000 0.433 156 S N -0.786 114.965 115.700 0.084 0.000 2.402 156 S HA -0.149 4.321 4.470 0.000 0.000 0.229 156 S C 1.957 176.602 174.600 0.076 0.000 1.021 156 S CA 1.773 60.023 58.200 0.084 0.000 0.974 156 S CB -0.312 62.933 63.200 0.075 0.000 0.800 156 S HN 0.647 nan 8.310 nan 0.000 0.484 157 T N -1.294 113.306 114.554 0.078 0.000 3.044 157 T HA 0.159 4.509 4.350 0.000 0.000 0.250 157 T C 0.563 175.308 174.700 0.076 0.000 1.081 157 T CA 0.408 62.556 62.100 0.080 0.000 1.040 157 T CB -0.413 68.513 68.868 0.096 0.000 0.962 157 T HN 0.234 nan 8.240 nan 0.000 0.506 158 N N 1.352 120.097 118.700 0.075 0.000 2.708 158 N HA -0.140 4.600 4.740 0.000 0.000 0.255 158 N C -0.095 175.456 175.510 0.068 0.000 1.046 158 N CA 0.549 53.640 53.050 0.067 0.000 0.715 158 N CB -1.586 36.933 38.487 0.052 0.000 0.895 158 N HN 0.934 nan 8.380 nan 0.000 0.545 159 A N 0.149 123.016 122.820 0.080 0.000 2.483 159 A HA 0.597 4.917 4.320 0.000 0.000 0.238 159 A C 1.105 178.724 177.584 0.058 0.000 1.070 159 A CA 0.690 52.778 52.037 0.084 0.000 0.770 159 A CB 0.430 19.487 19.000 0.096 0.000 1.008 159 A HN 0.898 nan 8.150 nan 0.000 0.497 160 G N -0.418 108.417 108.800 0.058 0.000 2.659 160 G HA2 0.667 4.627 3.960 0.000 0.000 0.296 160 G HA3 0.667 4.627 3.960 0.000 0.000 0.296 160 G C -0.282 174.634 174.900 0.028 0.000 1.369 160 G CA 0.069 45.185 45.100 0.027 0.000 0.937 160 G HN 1.294 nan 8.290 nan 0.000 0.485 161 G N -0.975 107.802 108.800 -0.037 0.000 3.211 161 G HA2 0.488 4.448 3.960 0.000 0.000 0.262 161 G HA3 0.488 4.448 3.960 0.000 0.000 0.262 161 G C 0.919 175.634 174.900 -0.309 0.000 1.352 161 G CA 0.480 45.531 45.100 -0.082 0.000 1.004 161 G HN 0.543 nan 8.290 nan 0.000 0.559 162 T N 0.960 115.314 114.554 -0.332 0.000 2.759 162 T HA -0.080 4.270 4.350 0.000 0.000 0.269 162 T C 2.325 176.905 174.700 -0.201 0.000 1.042 162 T CA 1.913 63.757 62.100 -0.427 0.000 1.140 162 T CB -0.254 68.601 68.868 -0.022 0.000 0.864 162 T HN 0.648 nan 8.240 nan 0.000 0.455 163 A N 0.685 123.446 122.820 -0.099 0.000 2.259 163 A HA 0.610 4.930 4.320 0.000 0.000 0.208 163 A C 2.397 179.970 177.584 -0.017 0.000 1.201 163 A CA 0.879 52.914 52.037 -0.002 0.000 0.824 163 A CB -0.671 18.410 19.000 0.135 0.000 0.838 163 A HN 0.440 nan 8.150 nan 0.000 0.485 164 A N 1.011 123.789 122.820 -0.071 0.000 1.958 164 A HA -0.200 4.120 4.320 0.000 0.000 0.221 164 A C 2.107 179.657 177.584 -0.058 0.000 1.178 164 A CA 1.705 53.712 52.037 -0.051 0.000 0.642 164 A CB -0.868 18.099 19.000 -0.054 0.000 0.816 164 A HN 1.157 nan 8.150 nan 0.000 0.453 165 L N -3.482 117.702 121.223 -0.065 0.000 2.261 165 L HA -0.006 4.334 4.340 0.000 0.000 0.216 165 L C 2.212 179.003 176.870 -0.132 0.000 1.114 165 L CA 1.730 56.527 54.840 -0.070 0.000 0.777 165 L CB -0.507 41.528 42.059 -0.040 0.000 0.910 165 L HN 0.260 nan 8.230 nan 0.000 0.440 166 A N -0.870 121.806 122.820 -0.240 0.000 1.944 166 A HA 0.118 4.438 4.320 0.000 0.000 0.207 166 A C 1.611 178.912 177.584 -0.472 0.000 1.265 166 A CA 0.404 52.176 52.037 -0.441 0.000 0.712 166 A CB -0.450 18.093 19.000 -0.760 0.000 0.915 166 A HN 0.472 nan 8.150 nan 0.000 0.470 167 Y N -0.309 119.889 120.300 -0.170 0.000 2.449 167 Y HA 0.426 4.976 4.550 0.000 0.000 0.254 167 Y C 1.614 177.423 175.900 -0.151 0.000 1.140 167 Y CA -0.012 57.932 58.100 -0.260 0.000 1.272 167 Y CB -0.057 38.109 38.460 -0.490 0.000 1.114 167 Y HN 0.547 nan 8.280 nan 0.000 0.525 168 G N 0.487 109.300 108.800 0.022 0.000 2.615 168 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 168 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 168 G C -0.686 174.219 174.900 0.008 0.000 1.339 168 G CA -0.414 44.699 45.100 0.022 0.000 0.884 168 G HN 0.127 nan 8.290 nan 0.000 0.559 169 L N -0.267 120.967 121.223 0.019 0.000 2.421 169 L HA 0.693 5.033 4.340 0.000 0.000 0.267 169 L C 2.382 179.269 176.870 0.028 0.000 1.036 169 L CA -0.370 54.479 54.840 0.015 0.000 0.829 169 L CB 0.835 42.909 42.059 0.025 0.000 1.437 169 L HN 1.139 nan 8.230 nan 0.000 0.488 170 A N -0.062 122.783 122.820 0.042 0.000 1.948 170 A HA -0.209 4.111 4.320 0.000 0.000 0.220 170 A C 2.274 179.916 177.584 0.096 0.000 1.177 170 A CA 2.019 54.102 52.037 0.078 0.000 0.636 170 A CB -0.715 18.340 19.000 0.092 0.000 0.815 170 A HN 0.824 nan 8.150 nan 0.000 0.449 171 R N 0.094 120.640 120.500 0.077 0.000 2.091 171 R HA -0.123 4.217 4.340 0.000 0.000 0.238 171 R C 0.174 176.527 176.300 0.088 0.000 1.136 171 R CA 1.540 57.687 56.100 0.078 0.000 0.959 171 R CB -0.301 30.033 30.300 0.058 0.000 0.856 171 R HN 0.549 nan 8.270 nan 0.000 0.437 175 L N 1.305 122.567 121.223 0.066 0.000 2.575 175 L HA 0.534 4.874 4.340 0.000 0.000 0.228 175 L C 1.128 178.019 176.870 0.035 0.000 1.075 175 L CA 0.804 55.669 54.840 0.042 0.000 0.867 175 L CB 0.870 42.944 42.059 0.024 0.000 1.097 175 L HN 0.997 nan 8.230 nan 0.000 0.485 176 G N -0.140 108.681 108.800 0.034 0.000 2.632 176 G HA2 0.530 4.490 3.960 0.000 0.000 0.292 176 G HA3 0.530 4.490 3.960 0.000 0.000 0.292 176 G C -1.802 173.107 174.900 0.015 0.000 1.465 176 G CA -0.231 44.883 45.100 0.023 0.000 0.824 176 G HN -0.175 nan 8.290 nan 0.000 0.509 177 V N -2.124 117.790 119.914 0.001 0.000 3.049 177 V HA 0.889 5.009 4.120 0.000 0.000 0.309 177 V C -0.818 175.235 176.094 -0.069 0.000 1.148 177 V CA -1.119 61.165 62.300 -0.027 0.000 0.990 177 V CB 1.952 33.763 31.823 -0.021 0.000 1.039 177 V HN 0.968 nan 8.190 nan 0.000 0.430 178 E N 1.670 121.817 120.200 -0.087 0.000 2.165 178 E HA 0.733 5.083 4.350 0.000 0.000 0.266 178 E C -1.730 174.774 176.600 -0.160 0.000 0.889 178 E CA -0.615 55.719 56.400 -0.109 0.000 0.756 178 E CB 2.103 31.759 29.700 -0.074 0.000 1.131 178 E HN 0.742 nan 8.360 nan 0.000 0.411 179 V N 4.430 124.203 119.914 -0.235 0.000 2.656 179 V HA 0.361 4.481 4.120 0.000 0.000 0.307 179 V C -0.494 175.469 176.094 -0.219 0.000 1.051 179 V CA -0.907 61.205 62.300 -0.312 0.000 0.893 179 V CB 2.017 33.410 31.823 -0.716 0.000 0.999 179 V HN 0.520 nan 8.190 nan 0.000 0.426 180 V N 5.622 125.448 119.914 -0.146 0.000 2.394 180 V HA 0.467 4.587 4.120 0.000 0.000 0.282 180 V C 0.114 176.173 176.094 -0.057 0.000 1.031 180 V CA -0.403 61.848 62.300 -0.082 0.000 0.881 180 V CB 1.436 33.232 31.823 -0.046 0.000 0.982 180 V HN 0.619 nan 8.190 nan 0.000 0.451 181 L N 3.239 124.445 121.223 -0.028 0.000 2.454 181 L HA 0.468 4.808 4.340 0.000 0.000 0.256 181 L C 1.903 178.788 176.870 0.025 0.000 1.136 181 L CA -0.262 54.590 54.840 0.019 0.000 0.804 181 L CB 0.548 42.630 42.059 0.038 0.000 1.181 181 L HN 0.710 nan 8.230 nan 0.000 0.469 182 A N 0.765 123.606 122.820 0.035 0.000 1.948 182 A HA -0.225 4.095 4.320 0.000 0.000 0.220 182 A C 1.563 179.167 177.584 0.033 0.000 1.177 182 A CA 2.037 54.094 52.037 0.033 0.000 0.636 182 A CB -0.723 18.291 19.000 0.022 0.000 0.815 182 A HN 0.946 nan 8.150 nan 0.000 0.449 183 D N -2.754 117.656 120.400 0.017 0.000 2.349 183 D HA 0.295 4.935 4.640 0.000 0.000 0.224 183 D C 1.165 177.481 176.300 0.026 0.000 1.029 183 D CA 1.064 55.077 54.000 0.021 0.000 0.879 183 D CB -0.395 40.405 40.800 -0.000 0.000 0.906 183 D HN 0.838 nan 8.370 nan 0.000 0.528 184 G N -0.017 108.796 108.800 0.022 0.000 2.195 184 G HA2 -0.281 3.679 3.960 0.000 0.000 0.224 184 G HA3 -0.281 3.679 3.960 0.000 0.000 0.224 184 G C 0.302 175.204 174.900 0.004 0.000 0.990 184 G CA -0.226 44.884 45.100 0.016 0.000 0.639 184 G HN 0.419 nan 8.290 nan 0.000 0.514 185 R N 0.014 120.515 120.500 0.002 0.000 2.643 185 R HA 0.506 4.846 4.340 0.000 0.000 0.270 185 R C 0.497 176.785 176.300 -0.020 0.000 1.061 185 R CA 0.208 56.305 56.100 -0.005 0.000 1.107 185 R CB 1.012 31.314 30.300 0.002 0.000 0.999 185 R HN 0.137 nan 8.270 nan 0.000 0.460 189 L N 3.416 124.619 121.223 -0.034 0.000 3.062 189 L HA 0.404 4.744 4.340 0.000 0.000 0.255 189 L C 0.402 177.266 176.870 -0.010 0.000 1.274 189 L CA -0.228 54.605 54.840 -0.012 0.000 1.047 189 L CB 0.237 42.301 42.059 0.007 0.000 1.402 189 L HN 0.327 nan 8.230 nan 0.000 0.550 190 L N 0.290 121.502 121.223 -0.018 0.000 2.453 190 L HA 0.236 4.576 4.340 0.000 0.000 0.272 190 L C 0.523 177.387 176.870 -0.010 0.000 1.182 190 L CA 0.596 55.426 54.840 -0.016 0.000 0.858 190 L CB 1.052 43.097 42.059 -0.023 0.000 1.120 190 L HN 0.229 nan 8.230 nan 0.000 0.474 191 S N 1.813 117.510 115.700 -0.006 0.000 2.565 191 S HA 0.323 4.793 4.470 0.000 0.000 0.274 191 S C -0.490 174.107 174.600 -0.005 0.000 1.144 191 S CA -0.843 57.354 58.200 -0.005 0.000 0.849 191 S CB 1.517 64.718 63.200 0.001 0.000 1.103 191 S HN 0.665 nan 8.310 nan 0.000 0.455 192 K N 2.281 122.676 120.400 -0.009 0.000 2.455 192 K HA 0.367 4.687 4.320 0.000 0.000 0.206 192 K C -0.388 176.205 176.600 -0.012 0.000 1.027 192 K CA -0.059 56.221 56.287 -0.012 0.000 1.113 192 K CB 0.147 32.637 32.500 -0.016 0.000 0.850 192 K HN 0.471 nan 8.250 nan 0.000 0.503 193 L N 1.366 122.585 121.223 -0.007 0.000 2.350 193 L HA 0.207 4.547 4.340 0.000 0.000 0.275 193 L C 1.195 178.062 176.870 -0.004 0.000 1.099 193 L CA -0.461 54.376 54.840 -0.006 0.000 0.808 193 L CB 0.857 42.915 42.059 -0.002 0.000 1.149 193 L HN -0.050 nan 8.230 nan 0.000 0.442 194 K N 1.460 121.855 120.400 -0.008 0.000 2.334 194 K HA 0.180 4.500 4.320 0.000 0.000 0.195 194 K C 0.018 176.619 176.600 0.002 0.000 1.045 194 K CA 0.624 56.907 56.287 -0.007 0.000 1.004 194 K CB 0.413 32.903 32.500 -0.017 0.000 0.837 194 K HN 0.460 nan 8.250 nan 0.000 0.510 195 K N 1.518 121.919 120.400 0.002 0.000 2.463 195 K HA 0.184 4.505 4.320 0.000 0.000 0.255 195 K C -1.548 175.055 176.600 0.006 0.000 0.942 195 K CA -0.419 55.871 56.287 0.005 0.000 0.814 195 K CB 1.604 34.106 32.500 0.003 0.000 1.122 195 K HN -0.185 nan 8.250 nan 0.000 0.425 196 D N 2.651 123.057 120.400 0.010 0.000 2.312 196 D HA 0.123 4.763 4.640 0.000 0.000 0.229 196 D C -1.355 174.954 176.300 0.014 0.000 1.337 196 D CA -0.459 53.547 54.000 0.010 0.000 0.964 196 D CB 0.600 41.406 40.800 0.010 0.000 1.456 196 D HN 0.285 nan 8.370 nan 0.000 0.547 197 N N 2.137 120.844 118.700 0.012 0.000 3.194 197 N HA 0.212 4.952 4.740 0.000 0.000 0.271 197 N C -0.653 174.861 175.510 0.006 0.000 1.308 197 N CA -0.147 52.912 53.050 0.016 0.000 1.042 197 N CB 1.148 39.645 38.487 0.017 0.000 1.310 197 N HN 0.330 nan 8.380 nan 0.000 0.502 198 T N -1.556 112.998 114.554 0.001 0.000 3.390 198 T HA 0.676 5.026 4.350 0.000 0.000 0.351 198 T C 0.668 175.345 174.700 -0.038 0.000 1.759 198 T CA -0.474 61.615 62.100 -0.019 0.000 1.561 198 T CB 0.500 69.358 68.868 -0.017 0.000 1.011 198 T HN 0.442 nan 8.240 nan 0.000 0.689 199 G N 1.642 110.407 108.800 -0.057 0.000 2.610 199 G HA2 -0.059 3.901 3.960 0.000 0.000 0.304 199 G HA3 -0.059 3.901 3.960 0.000 0.000 0.304 199 G C -0.955 173.939 174.900 -0.009 0.000 1.309 199 G CA -1.115 43.898 45.100 -0.144 0.000 0.906 199 G HN 0.536 nan 8.290 nan 0.000 0.521 200 Y N 0.594 120.903 120.300 0.015 0.000 2.457 200 Y HA 0.421 4.971 4.550 0.000 0.000 0.341 200 Y C 1.114 177.028 175.900 0.024 0.000 1.240 200 Y CA -0.467 57.642 58.100 0.015 0.000 1.437 200 Y CB 0.538 39.004 38.460 0.011 0.000 1.328 200 Y HN 0.525 nan 8.280 nan 0.000 0.588 201 D N 2.484 123.001 120.400 0.194 0.000 2.453 201 D HA 0.128 4.768 4.640 0.000 0.000 0.223 201 D C 0.363 176.733 176.300 0.117 0.000 1.183 201 D CA 0.214 54.287 54.000 0.121 0.000 0.933 201 D CB -0.014 40.835 40.800 0.082 0.000 1.038 201 D HN 0.583 nan 8.370 nan 0.000 0.513 202 L N 2.912 124.223 121.223 0.147 0.000 2.270 202 L HA 0.080 4.420 4.340 0.000 0.000 0.210 202 L C 2.508 179.527 176.870 0.248 0.000 1.104 202 L CA -0.030 54.917 54.840 0.179 0.000 0.804 202 L CB -0.198 42.008 42.059 0.244 0.000 0.937 202 L HN 0.333 nan 8.230 nan 0.000 0.450 203 R N 0.983 121.607 120.500 0.207 0.000 2.115 203 R HA -0.232 4.108 4.340 0.000 0.000 0.239 203 R C 1.686 178.108 176.300 0.204 0.000 1.133 203 R CA 2.312 58.540 56.100 0.213 0.000 0.935 203 R CB -0.253 30.122 30.300 0.125 0.000 0.853 203 R HN 0.284 nan 8.270 nan 0.000 0.433 204 D N 0.398 120.868 120.400 0.116 0.000 2.309 204 D HA -0.137 4.503 4.640 0.000 0.000 0.212 204 D C 1.755 178.068 176.300 0.022 0.000 0.968 204 D CA 0.583 54.626 54.000 0.071 0.000 0.882 204 D CB 0.032 40.859 40.800 0.045 0.000 0.918 204 D HN 0.201 nan 8.370 nan 0.000 0.503 205 L N -0.419 120.783 121.223 -0.035 0.000 2.109 205 L HA -0.070 4.270 4.340 0.000 0.000 0.207 205 L C 1.741 178.429 176.870 -0.305 0.000 1.086 205 L CA 1.344 56.050 54.840 -0.224 0.000 0.760 205 L CB -0.430 41.402 42.059 -0.378 0.000 0.910 205 L HN -0.102 nan 8.230 nan 0.000 0.437 206 F N -0.804 119.157 119.950 0.019 0.000 2.416 206 F HA 0.094 4.621 4.527 0.000 0.000 0.296 206 F C 1.217 177.031 175.800 0.023 0.000 1.099 206 F CA 0.004 58.015 58.000 0.019 0.000 1.427 206 F CB -0.381 38.630 39.000 0.019 0.000 1.079 206 F HN -0.186 nan 8.300 nan 0.000 0.536 207 I N 0.715 121.388 120.570 0.172 0.000 2.436 207 I HA 0.232 4.402 4.170 0.000 0.000 0.289 207 I C 1.250 177.408 176.117 0.068 0.000 1.083 207 I CA 0.453 61.822 61.300 0.115 0.000 1.372 207 I CB -0.034 38.028 38.000 0.103 0.000 1.408 207 I HN 0.414 nan 8.210 nan 0.000 0.516 208 G N 4.568 113.407 108.800 0.066 0.000 2.176 208 G HA2 -0.269 3.691 3.960 0.000 0.000 0.232 208 G HA3 -0.269 3.691 3.960 0.000 0.000 0.232 208 G C 0.908 175.826 174.900 0.030 0.000 0.986 208 G CA 0.170 45.296 45.100 0.042 0.000 0.643 208 G HN 0.769 nan 8.290 nan 0.000 0.522 209 A N 0.358 123.202 122.820 0.040 0.000 2.208 209 A HA 0.501 4.821 4.320 0.000 0.000 0.209 209 A C 1.299 178.908 177.584 0.041 0.000 1.161 209 A CA 1.626 53.677 52.037 0.023 0.000 0.782 209 A CB -0.412 18.601 19.000 0.022 0.000 0.816 209 A HN 1.270 nan 8.150 nan 0.000 0.477 210 E N -2.262 117.971 120.200 0.054 0.000 2.440 210 E HA -0.258 4.092 4.350 0.000 0.000 0.246 210 E C 0.816 177.447 176.600 0.051 0.000 1.165 210 E CA 0.381 56.812 56.400 0.052 0.000 0.726 210 E CB -2.191 27.534 29.700 0.042 0.000 1.271 210 E HN 1.472 nan 8.360 nan 0.000 0.397 211 G N -0.353 108.488 108.800 0.068 0.000 2.168 211 G HA2 -0.426 3.534 3.960 0.000 0.000 0.257 211 G HA3 -0.426 3.534 3.960 0.000 0.000 0.257 211 G C 0.780 175.716 174.900 0.060 0.000 0.997 211 G CA 1.349 46.489 45.100 0.067 0.000 0.708 211 G HN 0.708 nan 8.290 nan 0.000 0.520 212 T N -2.388 112.199 114.554 0.055 0.000 3.067 212 T HA 0.403 4.753 4.350 0.000 0.000 0.257 212 T C 2.005 176.734 174.700 0.048 0.000 1.105 212 T CA 1.016 63.139 62.100 0.038 0.000 1.104 212 T CB 0.079 68.957 68.868 0.016 0.000 0.925 212 T HN 0.377 nan 8.240 nan 0.000 0.498 213 L N 0.265 121.541 121.223 0.089 0.000 2.766 213 L HA 0.574 4.914 4.340 0.000 0.000 0.242 213 L C 1.167 178.205 176.870 0.281 0.000 1.136 213 L CA -0.171 54.745 54.840 0.127 0.000 0.933 213 L CB 0.410 42.464 42.059 -0.007 0.000 1.241 213 L HN 0.587 nan 8.230 nan 0.000 0.522 214 G N 0.315 109.247 108.800 0.219 0.000 2.356 214 G HA2 0.220 4.180 3.960 0.000 0.000 0.300 214 G HA3 0.220 4.180 3.960 0.000 0.000 0.300 214 G C -1.611 173.334 174.900 0.074 0.000 1.331 214 G CA -0.851 44.334 45.100 0.142 0.000 0.905 214 G HN -0.109 nan 8.290 nan 0.000 0.587 215 I N 0.891 121.462 120.570 0.002 0.000 2.354 215 I HA 0.400 4.570 4.170 0.000 0.000 0.292 215 I C 0.191 176.273 176.117 -0.058 0.000 0.989 215 I CA -0.706 60.586 61.300 -0.014 0.000 1.188 215 I CB 1.578 39.568 38.000 -0.016 0.000 1.342 215 I HN 0.270 nan 8.210 nan 0.000 0.457 216 I N 5.676 126.222 120.570 -0.041 0.000 2.371 216 I HA 0.092 4.262 4.170 0.000 0.000 0.290 216 I C 1.305 177.395 176.117 -0.045 0.000 1.028 216 I CA 0.104 61.368 61.300 -0.060 0.000 1.345 216 I CB 1.383 39.370 38.000 -0.021 0.000 1.407 216 I HN 0.709 nan 8.210 nan 0.000 0.501 217 T N 1.806 116.325 114.554 -0.058 0.000 2.990 217 T HA 0.528 4.879 4.350 0.000 0.000 0.249 217 T C 0.393 175.068 174.700 -0.042 0.000 1.039 217 T CA 0.043 62.116 62.100 -0.045 0.000 1.036 217 T CB 0.565 69.404 68.868 -0.048 0.000 0.994 217 T HN 0.647 nan 8.240 nan 0.000 0.489 218 A N 0.127 122.919 122.820 -0.046 0.000 2.610 218 A HA 0.919 5.239 4.320 0.000 0.000 0.291 218 A C -1.477 176.084 177.584 -0.037 0.000 1.086 218 A CA -0.591 51.422 52.037 -0.041 0.000 0.677 218 A CB 1.054 20.029 19.000 -0.042 0.000 1.278 218 A HN 1.188 nan 8.150 nan 0.000 0.414 219 A N -0.169 122.631 122.820 -0.033 0.000 2.604 219 A HA 0.865 5.185 4.320 0.000 0.000 0.295 219 A C -0.480 177.088 177.584 -0.026 0.000 1.067 219 A CA 0.169 52.194 52.037 -0.020 0.000 0.683 219 A CB 1.085 20.085 19.000 -0.001 0.000 1.281 219 A HN 2.146 nan 8.150 nan 0.000 0.407 220 T N 0.337 114.884 114.554 -0.011 0.000 2.770 220 T HA 0.720 5.070 4.350 0.000 0.000 0.283 220 T C -0.360 174.347 174.700 0.012 0.000 0.988 220 T CA -0.446 61.645 62.100 -0.014 0.000 0.957 220 T CB 0.308 69.170 68.868 -0.010 0.000 0.930 220 T HN 0.555 nan 8.240 nan 0.000 0.443 221 L N 1.818 123.044 121.223 0.004 0.000 2.303 221 L HA 0.605 4.945 4.340 0.000 0.000 0.266 221 L C 0.428 177.363 176.870 0.108 0.000 1.011 221 L CA -1.457 53.437 54.840 0.090 0.000 0.818 221 L CB 1.682 43.774 42.059 0.055 0.000 1.326 221 L HN 0.511 nan 8.230 nan 0.000 0.435 222 K N 1.353 121.873 120.400 0.200 0.000 2.237 222 K HA 0.538 4.858 4.320 0.000 0.000 0.270 222 K C -0.977 175.736 176.600 0.189 0.000 1.015 222 K CA -0.329 56.000 56.287 0.070 0.000 0.949 222 K CB 0.979 33.424 32.500 -0.091 0.000 0.976 222 K HN 0.351 nan 8.250 nan 0.000 0.472 223 L N 2.739 123.962 121.223 0.001 0.000 2.330 223 L HA 0.541 4.881 4.340 0.000 0.000 0.271 223 L C -0.728 176.083 176.870 -0.097 0.000 1.013 223 L CA -0.875 54.036 54.840 0.119 0.000 0.816 223 L CB 0.807 42.908 42.059 0.069 0.000 1.287 223 L HN 0.458 nan 8.230 nan 0.000 0.435 224 F N 0.544 120.519 119.950 0.043 0.000 2.611 224 F HA 0.554 5.081 4.527 0.000 0.000 0.324 224 F C -2.166 173.651 175.800 0.028 0.000 1.061 224 F CA -2.458 55.559 58.000 0.028 0.000 0.954 224 F CB 1.058 40.053 39.000 -0.008 0.000 1.301 224 F HN 0.184 nan 8.300 nan 0.000 0.482 225 P HA 0.062 nan 4.420 nan 0.000 0.268 225 P C -1.085 176.299 177.300 0.139 0.000 1.205 225 P CA -0.423 62.766 63.100 0.148 0.000 0.771 225 P CB 0.534 32.313 31.700 0.132 0.000 0.858 226 K N 4.594 125.049 120.400 0.091 0.000 2.312 226 K HA 0.238 4.558 4.320 0.000 0.000 0.287 226 K C -1.999 174.642 176.600 0.068 0.000 1.062 226 K CA -1.823 54.504 56.287 0.068 0.000 0.934 226 K CB -0.072 32.457 32.500 0.048 0.000 1.027 226 K HN 0.346 nan 8.250 nan 0.000 0.478 227 P HA 0.031 nan 4.420 nan 0.000 0.271 227 P C -0.398 176.932 177.300 0.050 0.000 1.216 227 P CA -0.065 63.076 63.100 0.068 0.000 0.776 227 P CB 1.130 32.877 31.700 0.078 0.000 0.881 228 R N 1.525 122.053 120.500 0.047 0.000 2.173 228 R HA 0.255 4.595 4.340 0.000 0.000 0.208 228 R C 0.230 176.552 176.300 0.036 0.000 1.035 228 R CA 0.480 56.602 56.100 0.038 0.000 1.004 228 R CB 0.261 30.582 30.300 0.035 0.000 0.917 228 R HN 0.629 nan 8.270 nan 0.000 0.462 229 A N 0.563 123.408 122.820 0.041 0.000 2.393 229 A HA 0.605 4.925 4.320 0.000 0.000 0.306 229 A C -1.376 176.239 177.584 0.050 0.000 1.050 229 A CA -0.559 51.503 52.037 0.042 0.000 0.724 229 A CB 2.170 21.194 19.000 0.039 0.000 1.248 229 A HN 0.020 nan 8.150 nan 0.000 0.424 230 V N 2.750 122.696 119.914 0.054 0.000 2.577 230 V HA 0.548 4.668 4.120 0.000 0.000 0.303 230 V C -0.875 175.265 176.094 0.076 0.000 1.042 230 V CA -0.597 61.746 62.300 0.071 0.000 0.872 230 V CB 1.783 33.650 31.823 0.074 0.000 0.998 230 V HN 0.934 nan 8.190 nan 0.000 0.423 231 E N 2.220 122.472 120.200 0.086 0.000 2.266 231 E HA 0.726 5.076 4.350 0.000 0.000 0.268 231 E C -0.968 175.696 176.600 0.107 0.000 0.879 231 E CA -0.511 55.938 56.400 0.082 0.000 0.762 231 E CB 2.701 32.440 29.700 0.065 0.000 1.199 231 E HN 0.684 nan 8.360 nan 0.000 0.422 232 T N 0.224 114.842 114.554 0.107 0.000 2.906 232 T HA 0.834 5.184 4.350 0.000 0.000 0.295 232 T C -0.957 173.836 174.700 0.155 0.000 1.061 232 T CA -0.831 61.343 62.100 0.125 0.000 1.000 232 T CB 1.958 70.930 68.868 0.174 0.000 1.103 232 T HN 0.535 nan 8.240 nan 0.000 0.486 233 A N 1.462 124.344 122.820 0.103 0.000 2.547 233 A HA 0.771 5.091 4.320 0.000 0.000 0.297 233 A C -1.879 175.629 177.584 -0.127 0.000 1.056 233 A CA -0.697 51.423 52.037 0.138 0.000 0.688 233 A CB 1.099 20.140 19.000 0.068 0.000 1.282 233 A HN 0.664 nan 8.150 nan 0.000 0.400 234 F N 1.382 121.217 119.950 -0.191 0.000 2.420 234 F HA 0.602 5.129 4.527 0.000 0.000 0.342 234 F C 0.089 175.768 175.800 -0.201 0.000 1.113 234 F CA -0.049 57.727 58.000 -0.373 0.000 1.059 234 F CB 2.116 40.690 39.000 -0.710 0.000 1.128 234 F HN 0.369 nan 8.300 nan 0.000 0.475 235 V N 2.734 122.659 119.914 0.018 0.000 2.735 235 V HA 0.708 4.828 4.120 0.000 0.000 0.310 235 V C 0.029 176.068 176.094 -0.091 0.000 1.061 235 V CA -0.983 61.265 62.300 -0.085 0.000 0.913 235 V CB 1.767 33.479 31.823 -0.185 0.000 1.005 235 V HN 0.860 nan 8.190 nan 0.000 0.428 236 G N 3.726 112.309 108.800 -0.362 0.000 2.368 236 G HA2 0.708 4.668 3.960 0.000 0.000 0.320 236 G HA3 0.708 4.668 3.960 0.000 0.000 0.320 236 G C -1.261 173.252 174.900 -0.646 0.000 1.158 236 G CA -0.247 44.379 45.100 -0.789 0.000 0.912 236 G HN 0.446 nan 8.290 nan 0.000 0.456 237 L N 0.940 121.941 121.223 -0.370 0.000 2.341 237 L HA 0.499 4.840 4.340 0.000 0.000 0.254 237 L C 1.015 177.892 176.870 0.012 0.000 1.040 237 L CA -0.869 53.878 54.840 -0.156 0.000 0.837 237 L CB 1.749 43.757 42.059 -0.087 0.000 1.425 237 L HN 0.296 nan 8.230 nan 0.000 0.414 238 Q N 0.055 119.881 119.800 0.045 0.000 2.302 238 Q HA 0.210 4.550 4.340 0.000 0.000 0.202 238 Q C 0.040 176.134 176.000 0.156 0.000 0.936 238 Q CA 0.586 56.457 55.803 0.114 0.000 0.886 238 Q CB 0.664 29.443 28.738 0.069 0.000 0.986 238 Q HN 0.783 nan 8.270 nan 0.000 0.487 239 S N -1.969 113.736 115.700 0.008 0.000 2.565 239 S HA 0.405 4.875 4.470 0.000 0.000 0.269 239 S C -2.620 171.699 174.600 -0.469 0.000 1.153 239 S CA -1.180 56.883 58.200 -0.228 0.000 0.835 239 S CB 2.016 65.135 63.200 -0.135 0.000 1.122 239 S HN -0.290 nan 8.310 nan 0.000 0.462 240 P HA -0.029 nan 4.420 nan 0.000 0.220 240 P C 0.833 177.950 177.300 -0.306 0.000 1.148 240 P CA 0.954 63.650 63.100 -0.672 0.000 0.803 240 P CB 0.043 31.263 31.700 -0.801 0.000 0.782 241 D N -0.709 119.544 120.400 -0.244 0.000 2.144 241 D HA -0.139 4.501 4.640 0.000 0.000 0.200 241 D C 1.264 177.502 176.300 -0.104 0.000 0.978 241 D CA 1.042 54.956 54.000 -0.142 0.000 0.833 241 D CB -0.192 40.541 40.800 -0.112 0.000 0.961 241 D HN 0.034 nan 8.370 nan 0.000 0.470 242 D N 0.137 120.474 120.400 -0.104 0.000 2.178 242 D HA -0.066 4.574 4.640 0.000 0.000 0.202 242 D C 1.920 178.196 176.300 -0.040 0.000 0.974 242 D CA 0.876 54.836 54.000 -0.067 0.000 0.841 242 D CB -0.216 40.547 40.800 -0.062 0.000 0.953 242 D HN 0.178 nan 8.370 nan 0.000 0.478 243 A N 0.604 123.401 122.820 -0.038 0.000 1.930 243 A HA -0.121 4.199 4.320 0.000 0.000 0.217 243 A C 2.098 179.734 177.584 0.088 0.000 1.175 243 A CA 0.800 52.882 52.037 0.075 0.000 0.627 243 A CB -0.579 18.468 19.000 0.079 0.000 0.815 243 A HN 0.234 nan 8.150 nan 0.000 0.443 244 L N -0.265 120.943 121.223 -0.025 0.000 2.141 244 L HA -0.081 4.259 4.340 0.000 0.000 0.209 244 L C 2.106 178.920 176.870 -0.094 0.000 1.094 244 L CA 2.013 56.804 54.840 -0.081 0.000 0.763 244 L CB -0.426 41.581 42.059 -0.086 0.000 0.908 244 L HN 0.329 nan 8.230 nan 0.000 0.437 245 K N -1.192 119.173 120.400 -0.059 0.000 2.103 245 K HA -0.124 4.196 4.320 0.000 0.000 0.204 245 K C 1.940 178.515 176.600 -0.042 0.000 1.052 245 K CA 1.166 57.421 56.287 -0.053 0.000 0.945 245 K CB -0.274 32.201 32.500 -0.041 0.000 0.722 245 K HN 0.196 nan 8.250 nan 0.000 0.443 246 L N 1.331 122.557 121.223 0.004 0.000 2.056 246 L HA -0.121 4.219 4.340 0.000 0.000 0.207 246 L C 2.015 178.885 176.870 -0.001 0.000 1.078 246 L CA 1.286 56.170 54.840 0.073 0.000 0.749 246 L CB -0.548 41.628 42.059 0.195 0.000 0.901 246 L HN 0.086 nan 8.230 nan 0.000 0.433 247 L N -0.080 120.989 121.223 -0.256 0.000 2.013 247 L HA -0.112 4.228 4.340 0.000 0.000 0.212 247 L C 2.345 179.005 176.870 -0.350 0.000 1.073 247 L CA 2.240 56.625 54.840 -0.757 0.000 0.753 247 L CB -1.503 40.042 42.059 -0.856 0.000 0.890 247 L HN 0.323 nan 8.230 nan 0.000 0.432 248 G N -0.356 108.321 108.800 -0.206 0.000 2.440 248 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 248 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 248 G C 1.637 176.485 174.900 -0.087 0.000 1.154 248 G CA 1.290 46.314 45.100 -0.128 0.000 0.767 248 G HN 0.505 nan 8.290 nan 0.000 0.552 249 I N 1.242 121.776 120.570 -0.061 0.000 2.202 249 I HA -0.151 4.019 4.170 0.000 0.000 0.242 249 I C 3.323 179.432 176.117 -0.013 0.000 1.091 249 I CA 0.960 62.246 61.300 -0.023 0.000 1.368 249 I CB -0.295 37.706 38.000 0.002 0.000 1.058 249 I HN 0.250 nan 8.210 nan 0.000 0.410 250 A N 0.330 123.145 122.820 -0.009 0.000 1.883 250 A HA -0.281 4.039 4.320 0.000 0.000 0.217 250 A C 2.258 179.829 177.584 -0.021 0.000 1.186 250 A CA 1.750 53.801 52.037 0.025 0.000 0.624 250 A CB -0.754 18.313 19.000 0.112 0.000 0.822 250 A HN 0.470 nan 8.150 nan 0.000 0.444 251 Q N -1.012 118.740 119.800 -0.081 0.000 2.061 251 Q HA -0.150 4.191 4.340 0.000 0.000 0.204 251 Q C 2.169 178.141 176.000 -0.047 0.000 0.984 251 Q CA 1.405 57.162 55.803 -0.077 0.000 0.846 251 Q CB -0.496 28.176 28.738 -0.110 0.000 0.902 251 Q HN 0.690 nan 8.270 nan 0.000 0.421 252 G N 0.201 108.977 108.800 -0.041 0.000 2.484 252 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 252 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 252 G C 1.251 176.143 174.900 -0.012 0.000 1.130 252 G CA 0.807 45.891 45.100 -0.026 0.000 0.784 252 G HN 0.232 nan 8.290 nan 0.000 0.543 253 E N -0.328 119.870 120.200 -0.005 0.000 2.389 253 E HA 0.399 4.749 4.350 0.000 0.000 0.199 253 E C 2.014 178.620 176.600 0.010 0.000 0.978 253 E CA 0.886 57.290 56.400 0.007 0.000 0.912 253 E CB 0.167 29.878 29.700 0.018 0.000 0.907 253 E HN 0.211 nan 8.360 nan 0.000 0.494 254 A N -0.326 122.497 122.820 0.005 0.000 2.226 254 A HA 0.724 5.044 4.320 0.000 0.000 0.207 254 A C 1.409 178.987 177.584 -0.010 0.000 1.293 254 A CA 0.782 52.823 52.037 0.005 0.000 0.968 254 A CB -0.112 18.899 19.000 0.018 0.000 1.044 254 A HN 0.351 nan 8.150 nan 0.000 0.493 255 A N -0.770 122.037 122.820 -0.022 0.000 5.318 255 A HA -0.221 4.099 4.320 0.000 0.000 0.329 255 A C 2.210 179.763 177.584 -0.052 0.000 1.789 255 A CA 2.060 54.076 52.037 -0.034 0.000 0.711 255 A CB -1.992 16.995 19.000 -0.023 0.000 1.398 255 A HN 1.772 nan 8.150 nan 0.000 0.392 256 G N -1.177 107.592 108.800 -0.053 0.000 2.498 256 G HA2 -0.079 3.881 3.960 0.000 0.000 0.219 256 G HA3 -0.079 3.881 3.960 0.000 0.000 0.219 256 G C 0.863 175.695 174.900 -0.114 0.000 1.119 256 G CA 1.524 46.570 45.100 -0.090 0.000 0.766 256 G HN 0.733 nan 8.290 nan 0.000 0.552 257 N N -0.384 118.281 118.700 -0.059 0.000 2.446 257 N HA 0.032 4.772 4.740 0.000 0.000 0.179 257 N C 0.586 176.075 175.510 -0.035 0.000 1.054 257 N CA -0.099 52.928 53.050 -0.038 0.000 0.905 257 N CB -0.014 38.473 38.487 0.001 0.000 0.973 257 N HN 0.286 nan 8.380 nan 0.000 0.448 258 L N 1.853 123.053 121.223 -0.038 0.000 2.433 258 L HA 0.136 4.476 4.340 0.000 0.000 0.284 258 L C 1.054 177.899 176.870 -0.041 0.000 1.120 258 L CA 0.384 55.225 54.840 0.002 0.000 0.879 258 L CB -0.026 42.045 42.059 0.020 0.000 1.232 258 L HN 0.103 nan 8.230 nan 0.000 0.454 259 T N -0.778 113.770 114.554 -0.009 0.000 3.069 259 T HA 0.361 4.711 4.350 0.000 0.000 0.252 259 T C 0.472 175.217 174.700 0.074 0.000 1.053 259 T CA 0.002 62.080 62.100 -0.038 0.000 0.964 259 T CB -0.092 68.770 68.868 -0.009 0.000 1.005 259 T HN 0.489 nan 8.240 nan 0.000 0.532 260 S N 0.194 115.983 115.700 0.148 0.000 2.548 260 S HA 0.614 5.084 4.470 0.000 0.000 0.278 260 S C -2.126 172.623 174.600 0.248 0.000 1.150 260 S CA -0.790 57.548 58.200 0.229 0.000 0.907 260 S CB 1.655 65.088 63.200 0.389 0.000 1.108 260 S HN 0.342 nan 8.310 nan 0.000 0.459 261 F N 2.569 122.572 119.950 0.088 0.000 3.228 261 F HA 0.356 4.883 4.527 0.000 0.000 0.385 261 F C -0.858 174.994 175.800 0.086 0.000 1.247 261 F CA -0.194 57.833 58.000 0.045 0.000 1.211 261 F CB 0.761 39.775 39.000 0.024 0.000 1.719 261 F HN 0.407 nan 8.300 nan 0.000 0.630 262 E N 4.547 124.753 120.200 0.010 0.000 2.175 262 E HA 0.346 4.696 4.350 0.000 0.000 0.278 262 E C -1.272 175.355 176.600 0.045 0.000 0.969 262 E CA -0.939 55.525 56.400 0.107 0.000 0.796 262 E CB 2.821 32.557 29.700 0.060 0.000 1.104 262 E HN 0.519 nan 8.360 nan 0.000 0.395 263 L N 4.452 125.794 121.223 0.199 0.000 2.272 263 L HA 0.447 4.787 4.340 0.000 0.000 0.289 263 L C -0.955 176.134 176.870 0.364 0.000 1.032 263 L CA -0.185 54.813 54.840 0.264 0.000 0.810 263 L CB 0.473 42.695 42.059 0.272 0.000 1.205 263 L HN 0.425 nan 8.230 nan 0.000 0.422 264 I N 5.093 125.898 120.570 0.391 0.000 2.466 264 I HA 0.599 4.769 4.170 0.000 0.000 0.289 264 I C 0.143 176.435 176.117 0.291 0.000 1.026 264 I CA -0.775 60.724 61.300 0.332 0.000 1.078 264 I CB 1.877 39.988 38.000 0.185 0.000 1.249 264 I HN 0.742 nan 8.210 nan 0.000 0.429 265 A N 4.295 127.102 122.820 -0.022 0.000 2.313 265 A HA 0.225 4.545 4.320 0.000 0.000 0.261 265 A C 1.236 178.632 177.584 -0.314 0.000 1.090 265 A CA -0.189 51.438 52.037 -0.684 0.000 0.807 265 A CB 0.551 18.989 19.000 -0.937 0.000 1.055 265 A HN 0.922 nan 8.150 nan 0.000 0.492 266 E N 0.400 120.381 120.200 -0.366 0.000 2.085 266 E HA -0.188 4.162 4.350 0.000 0.000 0.194 266 E C 1.592 178.069 176.600 -0.206 0.000 0.994 266 E CA 2.063 58.402 56.400 -0.101 0.000 0.801 266 E CB -0.187 29.438 29.700 -0.126 0.000 0.743 266 E HN 0.794 nan 8.360 nan 0.000 0.453 267 T N 1.444 115.799 114.554 -0.331 0.000 2.622 267 T HA -0.125 4.225 4.350 0.000 0.000 0.266 267 T C -1.060 173.217 174.700 -0.705 0.000 1.047 267 T CA 1.958 63.769 62.100 -0.482 0.000 1.159 267 T CB -1.175 67.375 68.868 -0.531 0.000 0.863 267 T HN 0.313 nan 8.240 nan 0.000 0.422 268 P HA -0.038 nan 4.420 nan 0.000 0.216 268 P C 1.839 178.941 177.300 -0.330 0.000 1.150 268 P CA 0.903 63.693 63.100 -0.516 0.000 0.837 268 P CB -0.250 31.223 31.700 -0.378 0.000 0.786 269 L N 0.320 121.375 121.223 -0.281 0.000 2.017 269 L HA -0.184 4.156 4.340 0.000 0.000 0.208 269 L C 2.297 179.056 176.870 -0.186 0.000 1.073 269 L CA 2.209 56.884 54.840 -0.275 0.000 0.745 269 L CB -1.080 40.722 42.059 -0.429 0.000 0.894 269 L HN -0.121 nan 8.230 nan 0.000 0.432 270 D N -0.869 119.454 120.400 -0.128 0.000 2.149 270 D HA -0.256 4.384 4.640 0.000 0.000 0.198 270 D C 1.949 178.352 176.300 0.172 0.000 0.990 270 D CA 1.542 55.541 54.000 -0.002 0.000 0.839 270 D CB -0.087 40.737 40.800 0.039 0.000 0.948 270 D HN 0.331 nan 8.370 nan 0.000 0.460 271 F N 0.468 120.382 119.950 -0.060 0.000 2.113 271 F HA -0.041 4.486 4.527 0.000 0.000 0.297 271 F C 2.902 178.715 175.800 0.023 0.000 1.103 271 F CA 0.953 58.981 58.000 0.047 0.000 1.248 271 F CB -1.339 37.670 39.000 0.016 0.000 0.999 271 F HN -0.006 nan 8.300 nan 0.000 0.475 272 S N -0.187 115.592 115.700 0.132 0.000 2.382 272 S HA -0.110 4.360 4.470 0.000 0.000 0.228 272 S C 2.259 176.852 174.600 -0.012 0.000 1.027 272 S CA 1.193 59.410 58.200 0.029 0.000 0.991 272 S CB -0.448 62.717 63.200 -0.058 0.000 0.823 272 S HN 0.070 nan 8.310 nan 0.000 0.469 273 V N 1.996 121.877 119.914 -0.054 0.000 2.270 273 V HA -0.076 4.044 4.120 0.000 0.000 0.245 273 V C 2.584 178.615 176.094 -0.105 0.000 1.043 273 V CA 1.870 64.116 62.300 -0.091 0.000 1.014 273 V CB -0.590 31.160 31.823 -0.121 0.000 0.645 273 V HN 0.441 nan 8.190 nan 0.000 0.447 274 R N -1.146 119.263 120.500 -0.151 0.000 2.193 274 R HA -0.003 4.337 4.340 0.000 0.000 0.213 274 R C 1.832 177.849 176.300 -0.472 0.000 1.055 274 R CA 0.883 56.785 56.100 -0.330 0.000 0.995 274 R CB -0.103 29.925 30.300 -0.454 0.000 0.893 274 R HN 0.637 nan 8.270 nan 0.000 0.459 275 H N -1.897 117.144 119.070 -0.049 0.000 3.058 275 H HA 0.294 4.851 4.556 0.000 0.000 0.258 275 H C 0.672 175.978 175.328 -0.035 0.000 1.015 275 H CA 0.393 56.407 56.048 -0.057 0.000 1.210 275 H CB 1.161 30.870 29.762 -0.089 0.000 1.481 275 H HN 0.119 nan 8.280 nan 0.000 0.492 276 A N 1.026 123.885 122.820 0.065 0.000 2.564 276 A HA 0.118 4.438 4.320 0.000 0.000 0.279 276 A C 0.528 178.120 177.584 0.013 0.000 1.232 276 A CA -0.135 51.925 52.037 0.040 0.000 0.950 276 A CB -0.169 18.855 19.000 0.040 0.000 1.138 276 A HN 0.300 nan 8.150 nan 0.000 0.526 277 N N 0.953 119.648 118.700 -0.008 0.000 2.705 277 N HA -0.151 4.589 4.740 0.000 0.000 0.255 277 N C -1.075 174.426 175.510 -0.015 0.000 1.008 277 N CA 0.841 53.880 53.050 -0.018 0.000 0.742 277 N CB -1.350 37.133 38.487 -0.007 0.000 0.906 277 N HN 0.585 nan 8.380 nan 0.000 0.541 278 N N 0.464 119.147 118.700 -0.029 0.000 2.404 278 N HA 0.310 5.050 4.740 0.000 0.000 0.297 278 N C -0.176 175.299 175.510 -0.059 0.000 1.163 278 N CA -0.556 52.475 53.050 -0.031 0.000 0.864 278 N CB 1.282 39.747 38.487 -0.036 0.000 1.247 278 N HN 0.308 nan 8.380 nan 0.000 0.510 279 R N 0.757 121.227 120.500 -0.051 0.000 2.308 279 R HA 0.076 4.416 4.340 0.000 0.000 0.305 279 R C -0.674 175.538 176.300 -0.146 0.000 1.053 279 R CA -0.483 55.577 56.100 -0.066 0.000 0.957 279 R CB 0.485 30.776 30.300 -0.015 0.000 1.022 279 R HN 0.423 nan 8.270 nan 0.000 0.461 280 D N 5.965 126.270 120.400 -0.158 0.000 2.382 280 D HA 0.020 4.660 4.640 0.000 0.000 0.259 280 D C -1.367 174.790 176.300 -0.239 0.000 1.224 280 D CA -1.782 52.077 54.000 -0.235 0.000 0.894 280 D CB 1.474 42.178 40.800 -0.159 0.000 1.127 280 D HN 0.411 nan 8.370 nan 0.000 0.487 281 P HA 0.005 nan 4.420 nan 0.000 0.225 281 P C 0.186 177.386 177.300 -0.167 0.000 1.156 281 P CA 0.519 63.384 63.100 -0.392 0.000 0.787 281 P CB 0.537 31.583 31.700 -1.090 0.000 0.802 282 L N -0.934 120.229 121.223 -0.099 0.000 2.341 282 L HA 0.317 4.657 4.340 0.000 0.000 0.267 282 L C 1.884 178.806 176.870 0.087 0.000 1.009 282 L CA -0.807 54.077 54.840 0.074 0.000 0.819 282 L CB 1.925 44.123 42.059 0.233 0.000 1.323 282 L HN -0.299 nan 8.230 nan 0.000 0.425 283 E N 1.673 121.938 120.200 0.108 0.000 2.070 283 E HA -0.142 4.208 4.350 0.000 0.000 0.197 283 E C 0.351 176.972 176.600 0.035 0.000 1.004 283 E CA 1.748 58.189 56.400 0.068 0.000 0.805 283 E CB 0.264 30.014 29.700 0.082 0.000 0.744 283 E HN 0.659 nan 8.360 nan 0.000 0.451 284 A N -0.593 122.254 122.820 0.046 0.000 2.346 284 A HA 0.672 4.992 4.320 0.000 0.000 0.313 284 A C -0.627 176.828 177.584 -0.215 0.000 1.140 284 A CA -0.762 51.198 52.037 -0.128 0.000 0.826 284 A CB 1.159 20.010 19.000 -0.247 0.000 1.332 284 A HN 0.033 nan 8.150 nan 0.000 0.457 285 R N -0.519 119.791 120.500 -0.316 0.000 2.459 285 R HA 0.528 4.868 4.340 0.000 0.000 0.281 285 R C -1.675 174.265 176.300 -0.600 0.000 1.050 285 R CA 0.124 56.097 56.100 -0.213 0.000 1.055 285 R CB 0.615 30.852 30.300 -0.105 0.000 1.045 285 R HN 0.681 nan 8.270 nan 0.000 0.495 286 Y N 1.170 121.403 120.300 -0.113 0.000 2.512 286 Y HA 0.277 4.828 4.550 0.000 0.000 0.348 286 Y C -1.328 174.335 175.900 -0.395 0.000 0.990 286 Y CA -2.083 55.804 58.100 -0.355 0.000 1.033 286 Y CB 2.038 40.124 38.460 -0.622 0.000 1.259 286 Y HN 0.412 nan 8.280 nan 0.000 0.461 287 P HA -0.106 nan 4.420 nan 0.000 0.221 287 P C -0.726 176.277 177.300 -0.495 0.000 1.150 287 P CA 1.447 64.418 63.100 -0.214 0.000 0.800 287 P CB 0.560 32.257 31.700 -0.007 0.000 0.787 288 W N -1.326 119.855 121.300 -0.197 0.000 3.022 288 W HA 0.487 5.147 4.660 0.000 0.000 0.335 288 W C -0.792 175.513 176.519 -0.356 0.000 1.133 288 W CA -0.530 56.728 57.345 -0.144 0.000 1.219 288 W CB 1.222 30.650 29.460 -0.053 0.000 1.409 288 W HN -0.246 nan 8.180 nan 0.000 0.507 289 Y N 0.829 121.291 120.300 0.271 0.000 2.570 289 Y HA 0.752 5.302 4.550 0.000 0.000 0.345 289 Y C -0.366 175.573 175.900 0.064 0.000 1.014 289 Y CA -1.406 56.778 58.100 0.141 0.000 1.063 289 Y CB 1.916 40.479 38.460 0.172 0.000 1.272 289 Y HN -0.018 nan 8.280 nan 0.000 0.477 290 V N 3.240 123.185 119.914 0.052 0.000 2.531 290 V HA 0.352 4.472 4.120 0.000 0.000 0.301 290 V C -1.288 174.493 176.094 -0.521 0.000 1.034 290 V CA -0.737 61.406 62.300 -0.262 0.000 0.865 290 V CB 1.961 33.504 31.823 -0.467 0.000 0.995 290 V HN 0.509 nan 8.190 nan 0.000 0.424 291 L N 6.839 127.649 121.223 -0.689 0.000 2.264 291 L HA 0.636 4.976 4.340 0.000 0.000 0.287 291 L C -0.580 175.893 176.870 -0.660 0.000 1.039 291 L CA 0.222 54.467 54.840 -0.991 0.000 0.829 291 L CB 0.835 42.171 42.059 -1.204 0.000 1.211 291 L HN 0.665 nan 8.230 nan 0.000 0.427 292 I N 4.230 124.480 120.570 -0.532 0.000 2.441 292 I HA 0.512 4.682 4.170 0.000 0.000 0.295 292 I C -0.914 175.146 176.117 -0.095 0.000 0.994 292 I CA -0.302 60.817 61.300 -0.302 0.000 1.144 292 I CB 1.480 39.309 38.000 -0.285 0.000 1.314 292 I HN 0.768 nan 8.210 nan 0.000 0.445 293 E N 6.338 126.571 120.200 0.055 0.000 2.314 293 E HA 0.500 4.850 4.350 0.000 0.000 0.272 293 E C -2.023 174.653 176.600 0.125 0.000 0.884 293 E CA -0.733 55.753 56.400 0.145 0.000 0.753 293 E CB 2.010 31.902 29.700 0.320 0.000 1.213 293 E HN 0.473 nan 8.360 nan 0.000 0.432 294 L N 2.062 123.348 121.223 0.106 0.000 2.346 294 L HA 0.501 4.841 4.340 0.000 0.000 0.276 294 L C -0.832 176.084 176.870 0.076 0.000 1.006 294 L CA -0.434 54.452 54.840 0.077 0.000 0.817 294 L CB 2.151 44.248 42.059 0.064 0.000 1.272 294 L HN 0.416 nan 8.230 nan 0.000 0.421 295 S N 1.061 116.796 115.700 0.059 0.000 2.659 295 S HA 0.696 5.166 4.470 0.000 0.000 0.312 295 S C -0.735 173.898 174.600 0.055 0.000 1.114 295 S CA -0.586 57.653 58.200 0.066 0.000 1.063 295 S CB 1.679 64.932 63.200 0.088 0.000 0.996 295 S HN 0.530 nan 8.310 nan 0.000 0.478 296 S N 2.957 118.690 115.700 0.056 0.000 2.542 296 S HA 0.640 5.110 4.470 0.000 0.000 0.293 296 S C -2.106 172.527 174.600 0.054 0.000 1.089 296 S CA -1.964 56.266 58.200 0.050 0.000 0.961 296 S CB 1.415 64.640 63.200 0.042 0.000 1.062 296 S HN 0.387 nan 8.310 nan 0.000 0.483 297 P HA 0.060 nan 4.420 nan 0.000 0.225 297 P C 0.090 177.415 177.300 0.042 0.000 1.156 297 P CA 0.579 63.711 63.100 0.053 0.000 0.787 297 P CB 0.252 31.985 31.700 0.056 0.000 0.802 298 R N -0.185 120.338 120.500 0.038 0.000 2.700 298 R HA 0.307 4.647 4.340 0.000 0.000 0.253 298 R C 0.125 176.444 176.300 0.032 0.000 1.091 298 R CA -0.745 55.374 56.100 0.032 0.000 1.104 298 R CB 0.612 30.929 30.300 0.028 0.000 1.202 298 R HN -0.141 nan 8.270 nan 0.000 0.532 299 D N 1.792 122.208 120.400 0.028 0.000 3.057 299 D HA 0.023 4.663 4.640 0.000 0.000 0.246 299 D C -0.321 175.995 176.300 0.027 0.000 1.238 299 D CA 0.454 54.470 54.000 0.028 0.000 0.949 299 D CB 0.229 41.044 40.800 0.024 0.000 1.086 299 D HN 0.463 nan 8.370 nan 0.000 0.487 300 D N -1.746 118.672 120.400 0.030 0.000 2.563 300 D HA 0.108 4.748 4.640 0.000 0.000 0.237 300 D C 1.363 177.682 176.300 0.033 0.000 1.282 300 D CA -0.444 53.574 54.000 0.029 0.000 0.816 300 D CB 0.040 40.855 40.800 0.026 0.000 1.066 300 D HN 0.017 nan 8.370 nan 0.000 0.501 301 A N 0.835 123.677 122.820 0.037 0.000 1.929 301 A HA -0.071 4.249 4.320 0.000 0.000 0.216 301 A C 2.234 179.845 177.584 0.045 0.000 1.176 301 A CA 1.073 53.135 52.037 0.042 0.000 0.628 301 A CB -0.476 18.552 19.000 0.047 0.000 0.816 301 A HN 0.184 nan 8.150 nan 0.000 0.444 302 R N -0.352 120.173 120.500 0.042 0.000 2.092 302 R HA -0.071 4.269 4.340 0.000 0.000 0.231 302 R C 2.271 178.598 176.300 0.044 0.000 1.119 302 R CA 1.278 57.404 56.100 0.045 0.000 0.970 302 R CB -0.338 29.986 30.300 0.040 0.000 0.864 302 R HN 0.441 nan 8.270 nan 0.000 0.440 303 A N 0.640 123.483 122.820 0.038 0.000 1.933 303 A HA -0.106 4.214 4.320 0.000 0.000 0.218 303 A C 2.298 179.906 177.584 0.040 0.000 1.175 303 A CA 1.650 53.709 52.037 0.037 0.000 0.628 303 A CB -0.644 18.374 19.000 0.031 0.000 0.814 303 A HN 0.519 nan 8.150 nan 0.000 0.444 304 A N -0.511 122.333 122.820 0.040 0.000 1.873 304 A HA 0.009 4.329 4.320 0.000 0.000 0.215 304 A C 2.115 179.729 177.584 0.049 0.000 1.186 304 A CA 1.685 53.746 52.037 0.041 0.000 0.616 304 A CB -0.639 18.383 19.000 0.037 0.000 0.823 304 A HN 0.632 nan 8.150 nan 0.000 0.442 305 L N 0.335 121.590 121.223 0.054 0.000 1.989 305 L HA -0.176 4.164 4.340 0.000 0.000 0.211 305 L C 2.180 179.091 176.870 0.068 0.000 1.071 305 L CA 2.533 57.409 54.840 0.061 0.000 0.749 305 L CB -0.955 41.141 42.059 0.062 0.000 0.890 305 L HN 0.546 nan 8.230 nan 0.000 0.431 306 E N -1.177 119.064 120.200 0.068 0.000 2.085 306 E HA -0.246 4.104 4.350 0.000 0.000 0.194 306 E C 2.277 178.925 176.600 0.081 0.000 0.994 306 E CA 1.401 57.849 56.400 0.079 0.000 0.801 306 E CB -0.260 29.479 29.700 0.065 0.000 0.743 306 E HN 0.555 nan 8.360 nan 0.000 0.453 307 S N 0.414 116.152 115.700 0.063 0.000 2.368 307 S HA -0.141 4.329 4.470 0.000 0.000 0.225 307 S C 1.973 176.611 174.600 0.063 0.000 1.030 307 S CA 0.847 59.082 58.200 0.058 0.000 0.999 307 S CB -0.166 63.061 63.200 0.044 0.000 0.844 307 S HN 0.172 nan 8.310 nan 0.000 0.459 308 I N 1.264 121.871 120.570 0.061 0.000 2.142 308 I HA -0.187 3.983 4.170 0.000 0.000 0.240 308 I C 2.229 178.381 176.117 0.059 0.000 1.078 308 I CA 1.195 62.530 61.300 0.058 0.000 1.343 308 I CB -0.387 37.653 38.000 0.067 0.000 1.046 308 I HN 0.299 nan 8.210 nan 0.000 0.405 309 L N 0.172 121.438 121.223 0.072 0.000 2.083 309 L HA -0.209 4.131 4.340 0.000 0.000 0.209 309 L C 2.701 179.690 176.870 0.199 0.000 1.083 309 L CA 1.129 56.015 54.840 0.076 0.000 0.752 309 L CB -0.667 41.469 42.059 0.128 0.000 0.899 309 L HN 0.338 nan 8.230 nan 0.000 0.433 310 E N 1.049 121.371 120.200 0.204 0.000 2.051 310 E HA -0.216 4.134 4.350 0.000 0.000 0.192 310 E C 2.285 178.990 176.600 0.174 0.000 0.991 310 E CA 1.393 57.925 56.400 0.220 0.000 0.799 310 E CB 0.034 29.806 29.700 0.121 0.000 0.748 310 E HN 0.425 nan 8.360 nan 0.000 0.449 311 R N -0.555 120.006 120.500 0.102 0.000 2.120 311 R HA -0.089 4.252 4.340 0.000 0.000 0.234 311 R C 2.477 178.811 176.300 0.056 0.000 1.123 311 R CA 1.051 57.192 56.100 0.068 0.000 0.975 311 R CB -0.452 29.873 30.300 0.042 0.000 0.866 311 R HN 0.215 nan 8.270 nan 0.000 0.446 312 G N 0.216 109.034 108.800 0.030 0.000 2.408 312 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 312 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 312 G C 1.076 175.942 174.900 -0.057 0.000 1.150 312 G CA 0.283 45.355 45.100 -0.047 0.000 0.776 312 G HN 0.130 nan 8.290 nan 0.000 0.542 313 F N 1.104 121.057 119.950 0.004 0.000 2.113 313 F HA 0.016 4.543 4.527 0.000 0.000 0.297 313 F C 2.625 178.428 175.800 0.004 0.000 1.103 313 F CA 1.549 59.550 58.000 0.002 0.000 1.248 313 F CB -0.305 38.697 39.000 0.005 0.000 0.999 313 F HN 0.202 nan 8.300 nan 0.000 0.475 314 E N 0.611 120.935 120.200 0.206 0.000 2.085 314 E HA -0.219 4.131 4.350 0.000 0.000 0.194 314 E C 1.471 178.116 176.600 0.074 0.000 0.994 314 E CA 1.926 58.395 56.400 0.114 0.000 0.801 314 E CB -0.460 29.289 29.700 0.082 0.000 0.743 314 E HN 0.238 nan 8.360 nan 0.000 0.453 315 D N -1.062 119.371 120.400 0.055 0.000 2.363 315 D HA 0.093 4.733 4.640 0.000 0.000 0.220 315 D C 1.027 177.339 176.300 0.021 0.000 0.994 315 D CA 1.058 55.074 54.000 0.027 0.000 0.890 315 D CB 0.077 40.882 40.800 0.009 0.000 0.906 315 D HN 0.385 nan 8.370 nan 0.000 0.530 316 G N 1.381 110.202 108.800 0.034 0.000 2.143 316 G HA2 -0.318 3.642 3.960 0.000 0.000 0.248 316 G HA3 -0.318 3.642 3.960 0.000 0.000 0.248 316 G C 1.045 175.936 174.900 -0.015 0.000 0.991 316 G CA 0.636 45.752 45.100 0.027 0.000 0.689 316 G HN 0.518 nan 8.290 nan 0.000 0.522 317 I N -2.851 117.690 120.570 -0.049 0.000 3.035 317 I HA 0.437 4.607 4.170 0.000 0.000 0.271 317 I C 0.642 176.671 176.117 -0.146 0.000 1.190 317 I CA -0.069 61.186 61.300 -0.075 0.000 1.472 317 I CB 0.189 38.154 38.000 -0.058 0.000 1.116 317 I HN -0.027 nan 8.210 nan 0.000 0.443 318 V N 2.228 121.991 119.914 -0.253 0.000 2.407 318 V HA 0.173 4.293 4.120 0.000 0.000 0.278 318 V C 1.080 176.920 176.094 -0.423 0.000 1.037 318 V CA -0.251 61.772 62.300 -0.462 0.000 0.900 318 V CB 1.772 33.077 31.823 -0.864 0.000 0.983 318 V HN 0.148 nan 8.190 nan 0.000 0.459 319 V N 2.879 122.599 119.914 -0.324 0.000 2.672 319 V HA 0.205 4.325 4.120 0.000 0.000 0.242 319 V C 0.353 176.440 176.094 -0.012 0.000 1.059 319 V CA 0.912 63.144 62.300 -0.114 0.000 1.081 319 V CB 0.183 31.964 31.823 -0.070 0.000 0.752 319 V HN 0.940 nan 8.190 nan 0.000 0.472 320 D N -1.558 118.709 120.400 -0.222 0.000 2.655 320 D HA 0.679 5.319 4.640 0.000 0.000 0.229 320 D C -1.171 175.085 176.300 -0.074 0.000 1.229 320 D CA 0.272 54.276 54.000 0.006 0.000 0.807 320 D CB 2.221 43.053 40.800 0.052 0.000 1.514 320 D HN 0.309 nan 8.370 nan 0.000 0.444 321 A N 0.766 123.658 122.820 0.120 0.000 2.549 321 A HA 0.847 5.167 4.320 0.000 0.000 0.297 321 A C -1.608 176.071 177.584 0.159 0.000 1.061 321 A CA -0.220 51.871 52.037 0.089 0.000 0.690 321 A CB 1.761 20.802 19.000 0.069 0.000 1.287 321 A HN 0.810 nan 8.150 nan 0.000 0.402 322 A N 2.082 125.005 122.820 0.171 0.000 2.375 322 A HA 0.667 4.987 4.320 0.000 0.000 0.291 322 A C -0.673 177.108 177.584 0.329 0.000 1.160 322 A CA -0.265 51.918 52.037 0.244 0.000 0.747 322 A CB 0.166 19.337 19.000 0.284 0.000 1.170 322 A HN 0.728 nan 8.150 nan 0.000 0.458 323 I N 2.593 123.303 120.570 0.232 0.000 2.371 323 I HA 0.339 4.509 4.170 0.000 0.000 0.290 323 I C 1.121 177.318 176.117 0.133 0.000 1.028 323 I CA -0.240 61.176 61.300 0.194 0.000 1.345 323 I CB 1.592 39.664 38.000 0.120 0.000 1.407 323 I HN 0.745 nan 8.210 nan 0.000 0.501 324 A N 5.736 128.586 122.820 0.051 0.000 2.546 324 A HA 0.062 4.382 4.320 0.000 0.000 0.243 324 A C 0.735 178.265 177.584 -0.089 0.000 1.063 324 A CA 0.012 51.923 52.037 -0.210 0.000 0.757 324 A CB -0.087 18.699 19.000 -0.355 0.000 0.991 324 A HN 0.803 nan 8.150 nan 0.000 0.503 325 N N 0.052 118.695 118.700 -0.095 0.000 2.236 325 N HA 0.089 4.829 4.740 0.000 0.000 0.196 325 N C -0.125 175.359 175.510 -0.044 0.000 1.114 325 N CA 0.922 53.947 53.050 -0.042 0.000 0.859 325 N CB 0.325 38.800 38.487 -0.020 0.000 0.982 325 N HN 0.822 nan 8.380 nan 0.000 0.493 326 S N -2.430 113.226 115.700 -0.073 0.000 2.625 326 S HA 0.353 4.823 4.470 0.000 0.000 0.271 326 S C 0.869 175.435 174.600 -0.056 0.000 1.161 326 S CA -0.738 57.431 58.200 -0.050 0.000 0.820 326 S CB 1.258 64.432 63.200 -0.043 0.000 1.137 326 S HN -0.238 nan 8.310 nan 0.000 0.470 327 V N 1.442 121.341 119.914 -0.026 0.000 2.407 327 V HA -0.122 3.998 4.120 0.000 0.000 0.248 327 V C 3.472 179.558 176.094 -0.014 0.000 1.055 327 V CA 2.752 65.046 62.300 -0.009 0.000 1.049 327 V CB -1.792 30.034 31.823 0.005 0.000 0.662 327 V HN 1.002 nan 8.190 nan 0.000 0.455 328 Q N -0.383 119.404 119.800 -0.023 0.000 2.084 328 Q HA -0.303 4.037 4.340 0.000 0.000 0.202 328 Q C 2.154 178.125 176.000 -0.048 0.000 0.978 328 Q CA 2.206 57.999 55.803 -0.018 0.000 0.844 328 Q CB -0.724 28.005 28.738 -0.015 0.000 0.898 328 Q HN 0.756 nan 8.270 nan 0.000 0.426 329 Q N -0.855 118.876 119.800 -0.116 0.000 2.172 329 Q HA -0.162 4.178 4.340 0.000 0.000 0.200 329 Q C 2.322 178.071 176.000 -0.419 0.000 0.964 329 Q CA 1.283 56.932 55.803 -0.257 0.000 0.855 329 Q CB 0.063 28.613 28.738 -0.312 0.000 0.918 329 Q HN 0.829 nan 8.270 nan 0.000 0.444 330 Q N -0.106 119.547 119.800 -0.245 0.000 2.050 330 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 330 Q C 2.054 178.145 176.000 0.151 0.000 0.980 330 Q CA 1.555 57.305 55.803 -0.088 0.000 0.840 330 Q CB 0.031 28.808 28.738 0.064 0.000 0.898 330 Q HN 0.471 nan 8.270 nan 0.000 0.424 331 Q N -0.154 119.724 119.800 0.130 0.000 2.170 331 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 331 Q C 2.000 178.121 176.000 0.202 0.000 0.976 331 Q CA 1.154 57.073 55.803 0.193 0.000 0.858 331 Q CB -0.117 28.686 28.738 0.108 0.000 0.907 331 Q HN 0.351 nan 8.270 nan 0.000 0.433 332 A N 0.529 123.428 122.820 0.133 0.000 1.873 332 A HA -0.171 4.149 4.320 0.000 0.000 0.215 332 A C 1.694 179.468 177.584 0.317 0.000 1.186 332 A CA 1.087 53.224 52.037 0.167 0.000 0.616 332 A CB -0.666 18.401 19.000 0.111 0.000 0.823 332 A HN 0.277 nan 8.150 nan 0.000 0.442 333 F N -1.480 118.526 119.950 0.095 0.000 2.091 333 F HA -0.194 4.333 4.527 0.000 0.000 0.299 333 F C 2.159 177.984 175.800 0.042 0.000 1.103 333 F CA 0.459 58.536 58.000 0.129 0.000 1.228 333 F CB -1.380 37.646 39.000 0.045 0.000 0.984 333 F HN 0.415 nan 8.300 nan 0.000 0.477 334 W N 0.405 121.890 121.300 0.309 0.000 2.436 334 W HA -0.086 4.574 4.660 0.000 0.000 0.284 334 W C 2.561 179.155 176.519 0.125 0.000 1.225 334 W CA 1.104 58.550 57.345 0.169 0.000 1.271 334 W CB -0.452 29.074 29.460 0.110 0.000 1.114 334 W HN -0.098 nan 8.180 nan 0.000 0.559 335 K N 0.907 121.501 120.400 0.324 0.000 2.063 335 K HA -0.222 4.098 4.320 0.000 0.000 0.208 335 K C 1.992 178.677 176.600 0.141 0.000 1.048 335 K CA 1.490 57.897 56.287 0.199 0.000 0.928 335 K CB -0.540 32.045 32.500 0.143 0.000 0.713 335 K HN 0.205 nan 8.250 nan 0.000 0.442 336 L N 0.857 122.154 121.223 0.123 0.000 1.989 336 L HA -0.244 4.096 4.340 0.000 0.000 0.211 336 L C 2.662 179.551 176.870 0.032 0.000 1.071 336 L CA 1.648 56.511 54.840 0.037 0.000 0.749 336 L CB -0.348 41.691 42.059 -0.034 0.000 0.890 336 L HN 0.159 nan 8.230 nan 0.000 0.431 337 R N 0.496 121.049 120.500 0.088 0.000 2.073 337 R HA -0.201 4.139 4.340 0.000 0.000 0.234 337 R C 2.020 178.372 176.300 0.086 0.000 1.134 337 R CA 2.103 58.240 56.100 0.061 0.000 0.952 337 R CB -0.558 29.786 30.300 0.073 0.000 0.850 337 R HN 0.489 nan 8.270 nan 0.000 0.433 338 E N -0.034 120.278 120.200 0.186 0.000 2.268 338 E HA -0.132 4.218 4.350 0.000 0.000 0.195 338 E C 0.909 177.557 176.600 0.080 0.000 0.995 338 E CA 1.123 57.617 56.400 0.157 0.000 0.836 338 E CB 0.075 29.884 29.700 0.181 0.000 0.763 338 E HN 0.525 nan 8.360 nan 0.000 0.491 339 E N 0.053 120.282 120.200 0.049 0.000 2.465 339 E HA 0.091 4.441 4.350 0.000 0.000 0.195 339 E C 1.400 177.992 176.600 -0.014 0.000 1.028 339 E CA -0.219 56.197 56.400 0.028 0.000 0.899 339 E CB 0.346 30.070 29.700 0.039 0.000 1.032 339 E HN 0.272 nan 8.360 nan 0.000 0.468 340 I N 0.454 120.964 120.570 -0.099 0.000 2.252 340 I HA -0.267 3.903 4.170 0.000 0.000 0.245 340 I C 2.546 178.603 176.117 -0.101 0.000 1.102 340 I CA 0.790 61.962 61.300 -0.215 0.000 1.385 340 I CB -0.195 37.421 38.000 -0.641 0.000 1.064 340 I HN 0.126 nan 8.210 nan 0.000 0.414 341 S N 1.306 116.989 115.700 -0.028 0.000 2.354 341 S HA -0.107 4.363 4.470 0.000 0.000 0.219 341 S C -0.195 174.454 174.600 0.082 0.000 1.035 341 S CA 1.960 60.218 58.200 0.095 0.000 1.037 341 S CB -1.195 62.087 63.200 0.137 0.000 0.956 341 S HN 0.219 nan 8.310 nan 0.000 0.428 342 P HA 0.073 nan 4.420 nan 0.000 0.223 342 P C 1.108 178.421 177.300 0.022 0.000 1.151 342 P CA 1.292 64.418 63.100 0.042 0.000 0.787 342 P CB -0.297 31.426 31.700 0.038 0.000 0.788 343 A N 0.033 122.876 122.820 0.039 0.000 2.121 343 A HA -0.172 4.148 4.320 0.000 0.000 0.218 343 A C 2.268 179.843 177.584 -0.014 0.000 1.154 343 A CA 1.136 53.202 52.037 0.048 0.000 0.679 343 A CB -1.022 18.052 19.000 0.123 0.000 0.795 343 A HN 0.219 nan 8.150 nan 0.000 0.458 344 Q N -0.597 119.238 119.800 0.059 0.000 2.187 344 Q HA -0.113 4.227 4.340 0.000 0.000 0.199 344 Q C 2.233 178.174 176.000 -0.099 0.000 0.957 344 Q CA 1.397 57.241 55.803 0.069 0.000 0.857 344 Q CB -0.088 28.759 28.738 0.183 0.000 0.929 344 Q HN 0.532 nan 8.270 nan 0.000 0.453 345 K N 0.537 120.890 120.400 -0.078 0.000 2.034 345 K HA -0.161 4.159 4.320 0.000 0.000 0.214 345 K C -0.719 175.773 176.600 -0.180 0.000 1.051 345 K CA 1.746 57.981 56.287 -0.088 0.000 0.931 345 K CB -1.803 30.668 32.500 -0.049 0.000 0.715 345 K HN 0.460 nan 8.250 nan 0.000 0.446 346 P HA -0.048 nan 4.420 nan 0.000 0.230 346 P C 0.667 177.699 177.300 -0.447 0.000 1.158 346 P CA 1.092 63.968 63.100 -0.374 0.000 0.769 346 P CB 0.101 31.484 31.700 -0.529 0.000 0.807 347 E N 0.006 119.897 120.200 -0.515 0.000 2.479 347 E HA 0.319 4.669 4.350 0.000 0.000 0.193 347 E C 0.911 177.346 176.600 -0.274 0.000 1.049 347 E CA 0.354 56.454 56.400 -0.499 0.000 0.870 347 E CB -0.034 29.136 29.700 -0.885 0.000 0.944 347 E HN 0.248 nan 8.360 nan 0.000 0.492 348 G N -1.352 107.333 108.800 -0.191 0.000 2.396 348 G HA2 -0.008 3.952 3.960 0.000 0.000 0.254 348 G HA3 -0.008 3.952 3.960 0.000 0.000 0.254 348 G C 0.225 175.097 174.900 -0.047 0.000 1.248 348 G CA -0.609 44.419 45.100 -0.119 0.000 1.033 348 G HN 0.401 nan 8.290 nan 0.000 0.502 349 G N -0.488 108.307 108.800 -0.008 0.000 2.353 349 G HA2 0.543 4.503 3.960 0.000 0.000 0.239 349 G HA3 0.543 4.503 3.960 0.000 0.000 0.239 349 G C 0.325 175.345 174.900 0.199 0.000 1.295 349 G CA 1.435 46.636 45.100 0.169 0.000 0.884 349 G HN 1.729 nan 8.290 nan 0.000 0.537 350 S N 1.630 117.482 115.700 0.254 0.000 2.647 350 S HA 0.491 4.962 4.470 0.000 0.000 0.300 350 S C -0.238 174.375 174.600 0.022 0.000 1.129 350 S CA -0.798 57.513 58.200 0.186 0.000 1.029 350 S CB 0.552 63.830 63.200 0.131 0.000 1.007 350 S HN 0.449 nan 8.310 nan 0.000 0.484 351 I N 5.224 125.687 120.570 -0.179 0.000 2.297 351 I HA 0.332 4.502 4.170 0.000 0.000 0.291 351 I C 0.086 175.747 176.117 -0.760 0.000 1.033 351 I CA -0.370 60.344 61.300 -0.977 0.000 1.253 351 I CB 0.967 38.398 38.000 -0.948 0.000 1.396 351 I HN 0.444 nan 8.210 nan 0.000 0.476 352 K N 5.543 125.433 120.400 -0.850 0.000 2.138 352 K HA 0.653 4.973 4.320 0.000 0.000 0.263 352 K C -1.164 175.188 176.600 -0.413 0.000 0.965 352 K CA -0.817 55.300 56.287 -0.282 0.000 0.868 352 K CB 1.526 34.073 32.500 0.078 0.000 1.083 352 K HN 0.496 nan 8.250 nan 0.000 0.443 353 H N 0.101 119.226 119.070 0.092 0.000 2.947 353 H HA 0.130 4.686 4.556 0.000 0.000 0.354 353 H C -1.698 173.680 175.328 0.083 0.000 1.085 353 H CA -0.825 55.319 56.048 0.159 0.000 1.253 353 H CB 1.726 31.580 29.762 0.153 0.000 1.757 353 H HN 0.580 nan 8.280 nan 0.000 0.523 354 D N 3.582 124.064 120.400 0.136 0.000 2.460 354 D HA 0.383 5.023 4.640 0.000 0.000 0.232 354 D C -0.745 175.486 176.300 -0.115 0.000 1.079 354 D CA -0.571 53.318 54.000 -0.184 0.000 0.864 354 D CB 0.403 40.931 40.800 -0.452 0.000 1.048 354 D HN 0.425 nan 8.370 nan 0.000 0.523 355 I N 0.452 120.943 120.570 -0.133 0.000 3.206 355 I HA 0.832 5.002 4.170 0.000 0.000 0.313 355 I C -0.786 175.185 176.117 -0.244 0.000 1.103 355 I CA -0.982 60.227 61.300 -0.152 0.000 0.985 355 I CB 1.964 39.877 38.000 -0.144 0.000 1.240 355 I HN 0.256 nan 8.210 nan 0.000 0.464 356 S N 1.249 116.800 115.700 -0.248 0.000 2.556 356 S HA 0.935 5.406 4.470 0.000 0.000 0.271 356 S C -0.746 173.706 174.600 -0.246 0.000 1.135 356 S CA -0.135 57.926 58.200 -0.232 0.000 0.858 356 S CB 1.333 64.449 63.200 -0.140 0.000 1.114 356 S HN 1.937 nan 8.310 nan 0.000 0.468 357 V N -2.591 117.191 119.914 -0.220 0.000 3.181 357 V HA 0.813 4.933 4.120 0.000 0.000 0.308 357 V C -3.255 172.777 176.094 -0.104 0.000 1.214 357 V CA -2.785 59.414 62.300 -0.167 0.000 1.053 357 V CB 0.714 32.424 31.823 -0.189 0.000 1.069 357 V HN 0.719 nan 8.190 nan 0.000 0.441 358 P HA 0.182 nan 4.420 nan 0.000 0.266 358 P C 1.138 178.404 177.300 -0.055 0.000 1.195 358 P CA 0.167 63.233 63.100 -0.058 0.000 0.768 358 P CB 0.810 32.482 31.700 -0.047 0.000 0.838 359 V N 3.262 123.144 119.914 -0.054 0.000 2.317 359 V HA -0.345 3.775 4.120 0.000 0.000 0.251 359 V C 2.309 178.370 176.094 -0.054 0.000 1.065 359 V CA 2.711 64.978 62.300 -0.055 0.000 1.049 359 V CB -1.597 30.187 31.823 -0.065 0.000 0.651 359 V HN 0.707 nan 8.190 nan 0.000 0.450 360 A N -0.307 122.481 122.820 -0.052 0.000 2.019 360 A HA -0.020 4.300 4.320 0.000 0.000 0.219 360 A C 2.151 179.712 177.584 -0.039 0.000 1.164 360 A CA 1.793 53.800 52.037 -0.049 0.000 0.644 360 A CB -0.512 18.462 19.000 -0.044 0.000 0.805 360 A HN 0.658 nan 8.150 nan 0.000 0.449 361 A N -0.784 122.018 122.820 -0.031 0.000 2.278 361 A HA 0.409 4.729 4.320 0.000 0.000 0.212 361 A C 1.725 179.321 177.584 0.019 0.000 1.213 361 A CA 0.615 52.646 52.037 -0.010 0.000 0.840 361 A CB -0.388 18.607 19.000 -0.008 0.000 0.866 361 A HN 0.240 nan 8.150 nan 0.000 0.489 362 V N 0.807 120.722 119.914 0.001 0.000 2.358 362 V HA -0.133 3.987 4.120 0.000 0.000 0.246 362 V C -0.246 175.873 176.094 0.042 0.000 1.047 362 V CA 2.436 64.758 62.300 0.036 0.000 1.035 362 V CB -1.105 30.721 31.823 0.005 0.000 0.658 362 V HN 0.378 nan 8.190 nan 0.000 0.452 363 P HA -0.141 nan 4.420 nan 0.000 0.217 363 P C 1.733 179.003 177.300 -0.049 0.000 1.150 363 P CA 1.274 64.321 63.100 -0.088 0.000 0.832 363 P CB -0.010 31.622 31.700 -0.113 0.000 0.787 364 Q N -1.878 117.913 119.800 -0.015 0.000 2.079 364 Q HA -0.160 4.180 4.340 0.000 0.000 0.200 364 Q C 1.990 177.984 176.000 -0.011 0.000 0.974 364 Q CA 1.136 56.930 55.803 -0.015 0.000 0.840 364 Q CB -0.699 28.038 28.738 -0.001 0.000 0.898 364 Q HN 0.208 nan 8.270 nan 0.000 0.430 365 F N 1.305 121.204 119.950 -0.086 0.000 2.069 365 F HA -0.230 4.297 4.527 0.000 0.000 0.298 365 F C 1.829 177.551 175.800 -0.130 0.000 1.113 365 F CA 1.398 59.329 58.000 -0.114 0.000 1.214 365 F CB -0.260 38.672 39.000 -0.113 0.000 0.978 365 F HN -0.044 nan 8.300 nan 0.000 0.474 366 I N 0.342 120.790 120.570 -0.204 0.000 2.127 366 I HA -0.303 3.867 4.170 0.000 0.000 0.241 366 I C 2.638 178.645 176.117 -0.182 0.000 1.075 366 I CA 1.892 63.084 61.300 -0.180 0.000 1.334 366 I CB -0.736 37.312 38.000 0.080 0.000 1.040 366 I HN 0.255 nan 8.210 nan 0.000 0.405 367 E N 1.028 121.160 120.200 -0.113 0.000 2.085 367 E HA -0.271 4.079 4.350 0.000 0.000 0.194 367 E C 2.106 178.630 176.600 -0.127 0.000 0.994 367 E CA 1.777 58.134 56.400 -0.072 0.000 0.801 367 E CB -0.075 29.592 29.700 -0.055 0.000 0.743 367 E HN 0.579 nan 8.360 nan 0.000 0.453 368 Q N -0.280 119.399 119.800 -0.201 0.000 2.083 368 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 368 Q C 2.230 178.058 176.000 -0.287 0.000 0.969 368 Q CA 1.249 56.930 55.803 -0.202 0.000 0.838 368 Q CB -0.142 28.495 28.738 -0.168 0.000 0.900 368 Q HN 0.306 nan 8.270 nan 0.000 0.436 369 A N 1.707 124.195 122.820 -0.553 0.000 1.858 369 A HA -0.251 4.069 4.320 0.000 0.000 0.216 369 A C 1.785 179.217 177.584 -0.253 0.000 1.190 369 A CA 1.722 53.368 52.037 -0.651 0.000 0.617 369 A CB -0.711 17.348 19.000 -1.568 0.000 0.827 369 A HN 0.286 nan 8.150 nan 0.000 0.443 370 N N 0.570 119.204 118.700 -0.110 0.000 2.037 370 N HA -0.210 4.530 4.740 0.000 0.000 0.196 370 N C 1.876 177.395 175.510 0.013 0.000 1.034 370 N CA 2.061 55.152 53.050 0.068 0.000 0.861 370 N CB -0.759 37.782 38.487 0.090 0.000 1.039 370 N HN 0.491 nan 8.380 nan 0.000 0.427 371 A N 0.542 123.345 122.820 -0.029 0.000 1.902 371 A HA 0.011 4.332 4.320 0.000 0.000 0.217 371 A C 2.349 179.915 177.584 -0.030 0.000 1.181 371 A CA 2.201 54.224 52.037 -0.024 0.000 0.623 371 A CB -0.973 18.007 19.000 -0.033 0.000 0.818 371 A HN 0.365 nan 8.150 nan 0.000 0.443 372 A N -0.659 122.126 122.820 -0.059 0.000 1.873 372 A HA 0.026 4.346 4.320 0.000 0.000 0.215 372 A C 2.229 179.794 177.584 -0.033 0.000 1.186 372 A CA 1.744 53.747 52.037 -0.057 0.000 0.616 372 A CB -0.935 18.010 19.000 -0.091 0.000 0.823 372 A HN 0.398 nan 8.150 nan 0.000 0.442 373 V N -0.419 119.486 119.914 -0.016 0.000 2.343 373 V HA -0.208 3.912 4.120 0.000 0.000 0.247 373 V C 2.519 178.635 176.094 0.037 0.000 1.051 373 V CA 1.931 64.246 62.300 0.025 0.000 1.036 373 V CB -0.676 31.206 31.823 0.099 0.000 0.654 373 V HN 0.355 nan 8.190 nan 0.000 0.451 374 V N 0.202 120.137 119.914 0.035 0.000 2.515 374 V HA -0.172 3.948 4.120 0.000 0.000 0.250 374 V C 2.609 178.717 176.094 0.022 0.000 1.058 374 V CA 1.691 64.011 62.300 0.033 0.000 1.064 374 V CB -0.804 31.036 31.823 0.028 0.000 0.675 374 V HN 0.554 nan 8.190 nan 0.000 0.461 375 A N -0.414 122.412 122.820 0.010 0.000 1.969 375 A HA -0.130 4.190 4.320 0.000 0.000 0.218 375 A C 2.104 179.693 177.584 0.008 0.000 1.169 375 A CA 1.715 53.755 52.037 0.005 0.000 0.635 375 A CB -0.361 18.636 19.000 -0.005 0.000 0.810 375 A HN 0.459 nan 8.150 nan 0.000 0.445 376 L N -0.700 120.527 121.223 0.007 0.000 2.068 376 L HA 0.242 4.582 4.340 0.000 0.000 0.204 376 L C 0.504 177.389 176.870 0.026 0.000 1.076 376 L CA 1.572 56.416 54.840 0.006 0.000 0.753 376 L CB 0.037 42.091 42.059 -0.009 0.000 0.910 376 L HN 0.318 nan 8.230 nan 0.000 0.439 377 I N 0.775 121.373 120.570 0.046 0.000 2.623 377 I HA 0.278 4.448 4.170 0.000 0.000 0.275 377 I C -2.319 173.840 176.117 0.070 0.000 1.108 377 I CA -1.871 59.475 61.300 0.077 0.000 1.120 377 I CB 0.975 39.061 38.000 0.143 0.000 1.249 377 I HN -0.016 nan 8.210 nan 0.000 0.500 378 P HA 0.037 nan 4.420 nan 0.000 0.262 378 P C 1.063 178.382 177.300 0.033 0.000 1.182 378 P CA 0.975 64.096 63.100 0.034 0.000 0.761 378 P CB 0.633 32.348 31.700 0.025 0.000 0.795 379 G N 1.790 110.603 108.800 0.022 0.000 2.199 379 G HA2 -0.201 3.759 3.960 0.000 0.000 0.254 379 G HA3 -0.201 3.759 3.960 0.000 0.000 0.254 379 G C 0.469 175.368 174.900 -0.001 0.000 0.982 379 G CA -0.014 45.090 45.100 0.007 0.000 0.632 379 G HN 0.854 nan 8.290 nan 0.000 0.529 380 A N 0.167 123.005 122.820 0.030 0.000 2.498 380 A HA 0.632 4.952 4.320 0.000 0.000 0.239 380 A C 0.724 178.314 177.584 0.009 0.000 1.068 380 A CA 0.518 52.578 52.037 0.038 0.000 0.766 380 A CB 0.178 19.265 19.000 0.145 0.000 1.003 380 A HN 0.540 nan 8.150 nan 0.000 0.497 381 R N 2.567 123.056 120.500 -0.019 0.000 2.272 381 R HA 0.338 4.678 4.340 0.000 0.000 0.323 381 R C -2.860 173.407 176.300 -0.055 0.000 1.002 381 R CA -1.680 54.405 56.100 -0.025 0.000 0.900 381 R CB 1.163 31.462 30.300 -0.001 0.000 1.151 381 R HN 0.450 nan 8.270 nan 0.000 0.507 382 P HA -0.018 nan 4.420 nan 0.000 0.268 382 P C -0.502 176.681 177.300 -0.196 0.000 1.204 382 P CA -0.077 62.923 63.100 -0.167 0.000 0.768 382 P CB 0.815 32.477 31.700 -0.065 0.000 0.842 383 V N 5.487 125.258 119.914 -0.237 0.000 2.313 383 V HA 0.272 4.392 4.120 0.000 0.000 0.262 383 V C -2.229 173.868 176.094 0.005 0.000 1.011 383 V CA -1.525 60.693 62.300 -0.137 0.000 0.858 383 V CB 1.112 32.885 31.823 -0.084 0.000 1.104 383 V HN 0.532 nan 8.190 nan 0.000 0.456 384 P HA 0.707 nan 4.420 nan 0.000 0.298 384 P C -1.086 176.457 177.300 0.405 0.000 1.314 384 P CA -0.443 62.779 63.100 0.203 0.000 0.854 384 P CB 1.501 33.432 31.700 0.385 0.000 1.019 385 F N -0.286 119.779 119.950 0.191 0.000 2.688 385 F HA 0.848 5.375 4.527 0.000 0.000 0.308 385 F C -0.515 175.370 175.800 0.140 0.000 1.117 385 F CA -0.706 57.390 58.000 0.161 0.000 0.976 385 F CB 1.102 40.139 39.000 0.061 0.000 1.291 385 F HN 0.704 nan 8.300 nan 0.000 0.439 386 G N 0.329 109.256 108.800 0.211 0.000 2.341 386 G HA2 0.348 4.309 3.960 0.000 0.000 0.299 386 G HA3 0.348 4.309 3.960 0.000 0.000 0.299 386 G C -2.302 172.627 174.900 0.048 0.000 1.274 386 G CA -1.060 44.018 45.100 -0.037 0.000 0.853 386 G HN 0.935 nan 8.290 nan 0.000 0.493 387 H N 1.502 120.696 119.070 0.205 0.000 2.821 387 H HA 0.287 4.843 4.556 0.000 0.000 0.262 387 H C 1.337 176.750 175.328 0.141 0.000 1.402 387 H CA -0.628 55.527 56.048 0.179 0.000 1.293 387 H CB 1.188 31.038 29.762 0.147 0.000 1.533 387 H HN 0.300 nan 8.280 nan 0.000 0.528 388 L N 2.810 124.195 121.223 0.270 0.000 2.191 388 L HA -0.018 4.322 4.340 0.000 0.000 0.212 388 L C 2.158 179.071 176.870 0.071 0.000 1.103 388 L CA 1.677 56.620 54.840 0.172 0.000 0.769 388 L CB -0.647 41.559 42.059 0.245 0.000 0.908 388 L HN 0.680 nan 8.230 nan 0.000 0.438 389 G N -0.781 108.073 108.800 0.090 0.000 2.484 389 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 389 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 389 G C 0.781 175.679 174.900 -0.004 0.000 1.130 389 G CA 0.807 45.896 45.100 -0.017 0.000 0.784 389 G HN 0.641 nan 8.290 nan 0.000 0.543 390 D N -2.435 117.995 120.400 0.050 0.000 2.513 390 D HA 0.268 4.908 4.640 0.000 0.000 0.222 390 D C 1.472 177.784 176.300 0.019 0.000 1.210 390 D CA 0.111 54.127 54.000 0.028 0.000 0.825 390 D CB -0.418 40.407 40.800 0.041 0.000 1.037 390 D HN 0.269 nan 8.370 nan 0.000 0.506 391 G N 1.103 109.913 108.800 0.016 0.000 2.168 391 G HA2 -0.362 3.598 3.960 0.000 0.000 0.257 391 G HA3 -0.362 3.598 3.960 0.000 0.000 0.257 391 G C -0.114 174.755 174.900 -0.051 0.000 0.997 391 G CA 0.290 45.375 45.100 -0.024 0.000 0.708 391 G HN 0.659 nan 8.290 nan 0.000 0.520 392 N N 0.183 118.884 118.700 0.001 0.000 2.439 392 N HA 0.472 5.212 4.740 0.000 0.000 0.249 392 N C -0.199 175.245 175.510 -0.111 0.000 1.003 392 N CA -0.853 52.165 53.050 -0.055 0.000 0.942 392 N CB 0.238 38.753 38.487 0.047 0.000 1.115 392 N HN 0.014 nan 8.380 nan 0.000 0.505 393 I N 3.457 123.935 120.570 -0.153 0.000 2.377 393 I HA 0.188 4.358 4.170 0.000 0.000 0.293 393 I C 0.340 176.366 176.117 -0.152 0.000 0.987 393 I CA -0.699 60.550 61.300 -0.085 0.000 1.185 393 I CB 1.292 39.322 38.000 0.049 0.000 1.341 393 I HN 0.479 nan 8.210 nan 0.000 0.455 394 H N 6.250 125.126 119.070 -0.323 0.000 2.911 394 H HA 0.078 4.634 4.556 0.000 0.000 0.273 394 H C -1.073 174.106 175.328 -0.248 0.000 1.157 394 H CA -0.058 55.749 56.048 -0.402 0.000 1.402 394 H CB 0.537 29.744 29.762 -0.926 0.000 1.463 394 H HN 0.414 nan 8.280 nan 0.000 0.475 395 Y N 5.230 125.526 120.300 -0.006 0.000 2.700 395 Y HA 0.133 4.683 4.550 0.000 0.000 0.333 395 Y C -0.638 175.325 175.900 0.106 0.000 1.036 395 Y CA -0.937 57.231 58.100 0.115 0.000 1.287 395 Y CB -0.186 38.450 38.460 0.294 0.000 1.132 395 Y HN 0.502 nan 8.280 nan 0.000 0.510 396 N N 3.381 121.897 118.700 -0.307 0.000 2.430 396 N HA 0.544 5.284 4.740 0.000 0.000 0.298 396 N C -1.401 173.919 175.510 -0.316 0.000 1.130 396 N CA -0.568 52.364 53.050 -0.197 0.000 0.894 396 N CB 2.310 40.795 38.487 -0.004 0.000 1.209 396 N HN 0.219 nan 8.380 nan 0.000 0.503 397 V N 0.717 120.539 119.914 -0.153 0.000 2.483 397 V HA 0.378 4.498 4.120 0.000 0.000 0.297 397 V C 0.023 176.185 176.094 0.113 0.000 1.027 397 V CA -0.730 61.543 62.300 -0.045 0.000 0.855 397 V CB 1.544 33.391 31.823 0.040 0.000 0.995 397 V HN 0.571 nan 8.190 nan 0.000 0.424 398 S N 3.479 119.202 115.700 0.038 0.000 2.616 398 S HA 0.402 4.872 4.470 0.000 0.000 0.277 398 S C 0.007 174.369 174.600 -0.397 0.000 1.234 398 S CA -0.684 57.491 58.200 -0.043 0.000 1.028 398 S CB 1.217 64.472 63.200 0.091 0.000 0.988 398 S HN 0.900 nan 8.310 nan 0.000 0.522 399 Q N 1.372 120.604 119.800 -0.947 0.000 2.479 399 Q HA 0.195 4.535 4.340 0.000 0.000 0.267 399 Q C -2.668 172.973 176.000 -0.598 0.000 1.071 399 Q CA -1.133 53.744 55.803 -1.542 0.000 0.935 399 Q CB -0.701 27.338 28.738 -1.165 0.000 1.295 399 Q HN 0.186 nan 8.270 nan 0.000 0.476 400 P HA -0.019 nan 4.420 nan 0.000 0.268 400 P C -0.767 176.444 177.300 -0.149 0.000 1.205 400 P CA -0.304 62.691 63.100 -0.175 0.000 0.771 400 P CB 0.535 32.186 31.700 -0.082 0.000 0.858 401 V N 3.459 123.316 119.914 -0.094 0.000 2.539 401 V HA 0.145 4.265 4.120 0.000 0.000 0.300 401 V C 1.746 177.802 176.094 -0.064 0.000 1.019 401 V CA 2.113 64.367 62.300 -0.076 0.000 1.160 401 V CB -0.768 31.027 31.823 -0.046 0.000 0.901 401 V HN 1.057 nan 8.190 nan 0.000 0.481 402 G N 3.518 112.278 108.800 -0.066 0.000 2.199 402 G HA2 -0.127 3.833 3.960 0.000 0.000 0.254 402 G HA3 -0.127 3.833 3.960 0.000 0.000 0.254 402 G C 0.443 175.321 174.900 -0.036 0.000 0.982 402 G CA 0.239 45.312 45.100 -0.045 0.000 0.632 402 G HN 1.484 nan 8.290 nan 0.000 0.529 403 A N -0.118 122.672 122.820 -0.050 0.000 2.296 403 A HA 0.568 4.888 4.320 0.000 0.000 0.264 403 A C 0.301 177.882 177.584 -0.005 0.000 1.097 403 A CA 0.676 52.701 52.037 -0.020 0.000 0.811 403 A CB 0.293 19.281 19.000 -0.021 0.000 1.072 403 A HN 0.611 nan 8.150 nan 0.000 0.495 404 D N -0.448 119.973 120.400 0.035 0.000 2.351 404 D HA 0.162 4.802 4.640 0.000 0.000 0.251 404 D C 1.058 177.410 176.300 0.087 0.000 1.137 404 D CA 0.040 54.069 54.000 0.047 0.000 0.879 404 D CB 0.970 41.801 40.800 0.053 0.000 1.181 404 D HN 0.506 nan 8.370 nan 0.000 0.448 405 K N 3.058 123.502 120.400 0.072 0.000 2.002 405 K HA -0.191 4.129 4.320 0.000 0.000 0.209 405 K C 1.774 178.476 176.600 0.170 0.000 1.048 405 K CA 1.373 57.730 56.287 0.117 0.000 0.930 405 K CB -0.184 32.359 32.500 0.071 0.000 0.714 405 K HN 0.506 nan 8.250 nan 0.000 0.438 406 A N 1.237 124.125 122.820 0.112 0.000 1.908 406 A HA -0.224 4.096 4.320 0.000 0.000 0.218 406 A C 1.869 179.518 177.584 0.108 0.000 1.181 406 A CA 1.950 54.047 52.037 0.099 0.000 0.627 406 A CB -0.557 18.481 19.000 0.063 0.000 0.818 406 A HN 0.524 nan 8.150 nan 0.000 0.445 407 E N -1.734 118.534 120.200 0.113 0.000 2.150 407 E HA -0.129 4.221 4.350 0.000 0.000 0.193 407 E C 1.694 178.378 176.600 0.140 0.000 0.985 407 E CA 1.144 57.608 56.400 0.107 0.000 0.814 407 E CB -0.205 29.551 29.700 0.094 0.000 0.752 407 E HN 0.740 nan 8.360 nan 0.000 0.466 408 F N 1.015 120.993 119.950 0.046 0.000 2.163 408 F HA -0.048 4.479 4.527 0.000 0.000 0.297 408 F C 1.750 177.596 175.800 0.077 0.000 1.094 408 F CA 0.994 59.022 58.000 0.046 0.000 1.290 408 F CB -0.000 39.017 39.000 0.029 0.000 1.017 408 F HN -0.107 nan 8.300 nan 0.000 0.483 409 L N 0.110 121.374 121.223 0.068 0.000 2.275 409 L HA -0.115 4.225 4.340 0.000 0.000 0.215 409 L C 2.618 179.535 176.870 0.078 0.000 1.119 409 L CA 0.823 55.706 54.840 0.072 0.000 0.790 409 L CB -1.070 41.121 42.059 0.219 0.000 0.919 409 L HN 0.257 nan 8.230 nan 0.000 0.443 410 A N -0.246 122.598 122.820 0.040 0.000 2.121 410 A HA -0.107 4.213 4.320 0.000 0.000 0.218 410 A C 2.020 179.629 177.584 0.041 0.000 1.154 410 A CA 0.924 52.990 52.037 0.049 0.000 0.679 410 A CB -0.241 18.784 19.000 0.042 0.000 0.795 410 A HN 0.247 nan 8.150 nan 0.000 0.458 411 R N -1.192 119.276 120.500 -0.052 0.000 2.310 411 R HA -0.026 4.314 4.340 0.000 0.000 0.202 411 R C 1.428 177.711 176.300 -0.029 0.000 0.933 411 R CA -0.326 55.731 56.100 -0.072 0.000 1.054 411 R CB -0.742 29.446 30.300 -0.187 0.000 0.985 411 R HN 0.816 nan 8.270 nan 0.000 0.489 412 W N 1.969 123.183 121.300 -0.144 0.000 2.290 412 W HA -0.315 4.345 4.660 0.000 0.000 0.328 412 W C 1.980 178.505 176.519 0.010 0.000 1.272 412 W CA 2.021 59.320 57.345 -0.077 0.000 1.262 412 W CB -0.723 28.705 29.460 -0.052 0.000 1.151 412 W HN 0.330 nan 8.180 nan 0.000 0.473 413 H N 0.218 119.464 119.070 0.293 0.000 2.352 413 H HA -0.159 4.397 4.556 0.000 0.000 0.299 413 H C 1.710 177.081 175.328 0.072 0.000 1.097 413 H CA 2.117 58.278 56.048 0.187 0.000 1.311 413 H CB -0.298 29.539 29.762 0.125 0.000 1.377 413 H HN 0.048 nan 8.280 nan 0.000 0.504 414 D N 0.213 120.596 120.400 -0.027 0.000 2.144 414 D HA -0.120 4.520 4.640 0.000 0.000 0.199 414 D C 2.459 178.662 176.300 -0.161 0.000 0.984 414 D CA 0.882 54.816 54.000 -0.111 0.000 0.834 414 D CB -0.179 40.604 40.800 -0.029 0.000 0.955 414 D HN 0.249 nan 8.370 nan 0.000 0.465 415 V N 0.834 120.662 119.914 -0.143 0.000 2.358 415 V HA -0.195 3.925 4.120 0.000 0.000 0.246 415 V C 2.512 178.409 176.094 -0.328 0.000 1.047 415 V CA 1.485 63.675 62.300 -0.182 0.000 1.035 415 V CB -0.482 31.237 31.823 -0.173 0.000 0.658 415 V HN 0.129 nan 8.190 nan 0.000 0.452 416 S N -0.601 114.889 115.700 -0.350 0.000 2.359 416 S HA -0.297 4.173 4.470 0.000 0.000 0.224 416 S C 1.999 176.151 174.600 -0.746 0.000 1.035 416 S CA 1.708 59.453 58.200 -0.758 0.000 1.018 416 S CB -0.359 62.638 63.200 -0.339 0.000 0.876 416 S HN 0.637 nan 8.310 nan 0.000 0.448 417 Q N 0.210 119.752 119.800 -0.430 0.000 2.077 417 Q HA -0.137 4.203 4.340 0.000 0.000 0.206 417 Q C 2.326 178.222 176.000 -0.173 0.000 0.989 417 Q CA 1.646 57.306 55.803 -0.238 0.000 0.853 417 Q CB -0.410 28.188 28.738 -0.233 0.000 0.907 417 Q HN 0.372 nan 8.270 nan 0.000 0.418 418 V N -0.109 119.680 119.914 -0.208 0.000 2.307 418 V HA -0.221 3.899 4.120 0.000 0.000 0.245 418 V C 2.236 178.224 176.094 -0.177 0.000 1.045 418 V CA 1.412 63.619 62.300 -0.156 0.000 1.024 418 V CB -0.411 31.330 31.823 -0.136 0.000 0.651 418 V HN 0.190 nan 8.190 nan 0.000 0.449 419 V N -0.479 119.256 119.914 -0.298 0.000 2.343 419 V HA -0.236 3.884 4.120 0.000 0.000 0.247 419 V C 2.267 178.330 176.094 -0.052 0.000 1.051 419 V CA 2.069 64.203 62.300 -0.277 0.000 1.036 419 V CB -0.765 30.761 31.823 -0.496 0.000 0.654 419 V HN 0.443 nan 8.190 nan 0.000 0.451 420 F N 0.536 120.417 119.950 -0.114 0.000 2.234 420 F HA -0.085 4.442 4.527 0.000 0.000 0.299 420 F C 2.402 178.178 175.800 -0.040 0.000 1.087 420 F CA 1.396 59.358 58.000 -0.063 0.000 1.340 420 F CB -0.916 38.054 39.000 -0.049 0.000 1.031 420 F HN 0.247 nan 8.300 nan 0.000 0.500 421 E N 0.675 120.948 120.200 0.122 0.000 2.106 421 E HA -0.123 4.227 4.350 0.000 0.000 0.192 421 E C 2.146 178.775 176.600 0.048 0.000 0.984 421 E CA 1.167 57.603 56.400 0.060 0.000 0.806 421 E CB -0.377 29.333 29.700 0.016 0.000 0.750 421 E HN 0.147 nan 8.360 nan 0.000 0.458 422 V N -0.230 119.709 119.914 0.042 0.000 2.358 422 V HA -0.212 3.908 4.120 0.000 0.000 0.246 422 V C 2.410 178.590 176.094 0.143 0.000 1.047 422 V CA 1.461 63.794 62.300 0.056 0.000 1.035 422 V CB -0.454 31.352 31.823 -0.028 0.000 0.658 422 V HN 0.172 nan 8.190 nan 0.000 0.452 423 V N 0.006 120.029 119.914 0.182 0.000 2.287 423 V HA -0.271 3.849 4.120 0.000 0.000 0.248 423 V C 2.426 178.536 176.094 0.027 0.000 1.053 423 V CA 2.318 64.671 62.300 0.088 0.000 1.027 423 V CB -0.634 31.232 31.823 0.072 0.000 0.646 423 V HN 0.544 nan 8.190 nan 0.000 0.447 424 L N 1.431 122.675 121.223 0.035 0.000 2.012 424 L HA -0.205 4.135 4.340 0.000 0.000 0.210 424 L C 2.716 179.587 176.870 0.002 0.000 1.073 424 L CA 2.465 57.307 54.840 0.004 0.000 0.748 424 L CB -0.818 41.248 42.059 0.012 0.000 0.891 424 L HN 0.474 nan 8.230 nan 0.000 0.431 425 R N -0.464 120.045 120.500 0.015 0.000 2.189 425 R HA -0.084 4.256 4.340 0.000 0.000 0.223 425 R C 1.645 177.948 176.300 0.004 0.000 1.092 425 R CA 1.541 57.645 56.100 0.007 0.000 0.989 425 R CB -0.725 29.579 30.300 0.006 0.000 0.876 425 R HN 0.479 nan 8.270 nan 0.000 0.457 426 L N 0.612 121.843 121.223 0.013 0.000 2.592 426 L HA 0.294 4.634 4.340 0.000 0.000 0.227 426 L C 0.774 177.633 176.870 -0.018 0.000 1.127 426 L CA 0.430 55.273 54.840 0.006 0.000 0.884 426 L CB 0.331 42.410 42.059 0.033 0.000 1.065 426 L HN 0.629 nan 8.230 nan 0.000 0.457 427 G N 0.269 109.055 108.800 -0.024 0.000 2.147 427 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 427 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 427 G C 0.500 175.368 174.900 -0.055 0.000 1.005 427 G CA -0.009 45.069 45.100 -0.037 0.000 0.713 427 G HN 0.500 nan 8.290 nan 0.000 0.515 428 G N -0.804 107.955 108.800 -0.067 0.000 2.525 428 G HA2 0.662 4.622 3.960 0.000 0.000 0.287 428 G HA3 0.662 4.622 3.960 0.000 0.000 0.287 428 G C 0.162 174.999 174.900 -0.104 0.000 1.350 428 G CA 0.612 45.651 45.100 -0.102 0.000 1.039 428 G HN 1.309 nan 8.290 nan 0.000 0.513 429 S N -1.348 114.276 115.700 -0.126 0.000 2.482 429 S HA 0.309 4.779 4.470 0.000 0.000 0.303 429 S C 1.300 175.810 174.600 -0.151 0.000 1.091 429 S CA -0.667 57.456 58.200 -0.129 0.000 1.057 429 S CB 1.124 64.259 63.200 -0.109 0.000 1.031 429 S HN 0.722 nan 8.310 nan 0.000 0.485 430 I N 2.042 122.479 120.570 -0.221 0.000 3.111 430 I HA 0.291 4.461 4.170 0.000 0.000 0.272 430 I C 0.638 176.665 176.117 -0.150 0.000 1.268 430 I CA 0.249 61.336 61.300 -0.355 0.000 1.467 430 I CB 0.091 37.589 38.000 -0.837 0.000 1.087 430 I HN 0.411 nan 8.210 nan 0.000 0.467 431 S N 0.500 116.139 115.700 -0.102 0.000 2.673 431 S HA 0.706 5.176 4.470 0.000 0.000 0.256 431 S C 0.433 174.990 174.600 -0.071 0.000 1.141 431 S CA -0.122 58.053 58.200 -0.042 0.000 1.109 431 S CB 1.457 64.654 63.200 -0.005 0.000 1.101 431 S HN 0.344 nan 8.310 nan 0.000 0.471 432 A N 3.795 126.548 122.820 -0.112 0.000 1.975 432 A HA 0.288 4.608 4.320 0.000 0.000 0.215 432 A C 1.528 179.055 177.584 -0.095 0.000 1.170 432 A CA 0.759 52.728 52.037 -0.113 0.000 0.656 432 A CB -0.059 18.855 19.000 -0.144 0.000 0.821 432 A HN 0.766 nan 8.150 nan 0.000 0.449 433 E N -2.301 117.807 120.200 -0.153 0.000 2.713 433 E HA 0.094 4.444 4.350 0.000 0.000 0.201 433 E C 1.635 178.251 176.600 0.027 0.000 0.935 433 E CA 0.082 56.432 56.400 -0.084 0.000 1.273 433 E CB 0.005 29.627 29.700 -0.130 0.000 1.221 433 E HN 0.741 nan 8.360 nan 0.000 0.547 434 H N 0.734 119.840 119.070 0.060 0.000 2.387 434 H HA 0.044 4.600 4.556 0.000 0.000 0.299 434 H C 1.108 176.477 175.328 0.068 0.000 1.090 434 H CA 0.575 56.668 56.048 0.076 0.000 1.332 434 H CB 0.196 30.016 29.762 0.096 0.000 1.386 434 H HN 0.267 nan 8.280 nan 0.000 0.516 435 G N -0.253 108.642 108.800 0.158 0.000 2.466 435 G HA2 -0.188 3.772 3.960 0.000 0.000 0.316 435 G HA3 -0.188 3.772 3.960 0.000 0.000 0.316 435 G C 0.032 174.989 174.900 0.095 0.000 1.270 435 G CA -0.181 44.979 45.100 0.100 0.000 0.982 435 G HN 0.073 nan 8.290 nan 0.000 0.506 436 I N 1.196 121.806 120.570 0.066 0.000 3.132 436 I HA 0.315 4.485 4.170 0.000 0.000 0.255 436 I C 2.644 178.796 176.117 0.058 0.000 1.118 436 I CA 2.334 63.667 61.300 0.054 0.000 1.463 436 I CB -1.585 36.428 38.000 0.021 0.000 1.356 436 I HN 2.102 nan 8.210 nan 0.000 0.463 437 G N 2.044 110.870 108.800 0.043 0.000 2.634 437 G HA2 -0.287 3.673 3.960 0.000 0.000 0.309 437 G HA3 -0.287 3.673 3.960 0.000 0.000 0.309 437 G C 0.345 175.241 174.900 -0.006 0.000 1.265 437 G CA 0.590 45.706 45.100 0.027 0.000 0.998 437 G HN 0.219 nan 8.290 nan 0.000 0.551 441 R N 1.819 122.338 120.500 0.031 0.000 2.091 441 R HA -0.156 4.184 4.340 0.000 0.000 0.238 441 R C 1.029 177.334 176.300 0.009 0.000 1.136 441 R CA 2.271 58.375 56.100 0.008 0.000 0.959 441 R CB 0.092 30.387 30.300 -0.009 0.000 0.856 441 R HN 0.113 nan 8.270 nan 0.000 0.437 442 D N 0.004 120.418 120.400 0.024 0.000 2.097 442 D HA -0.160 4.480 4.640 0.000 0.000 0.197 442 D C 1.769 178.087 176.300 0.031 0.000 0.984 442 D CA 1.158 55.175 54.000 0.029 0.000 0.826 442 D CB -0.231 40.595 40.800 0.043 0.000 0.973 442 D HN 0.258 nan 8.370 nan 0.000 0.460 443 E N 0.485 120.711 120.200 0.043 0.000 2.204 443 E HA -0.134 4.216 4.350 0.000 0.000 0.195 443 E C 1.909 178.483 176.600 -0.043 0.000 0.990 443 E CA 0.274 56.682 56.400 0.013 0.000 0.821 443 E CB -0.261 29.442 29.700 0.004 0.000 0.750 443 E HN 0.110 nan 8.360 nan 0.000 0.477 444 L N 0.161 121.363 121.223 -0.037 0.000 2.017 444 L HA -0.015 4.325 4.340 0.000 0.000 0.208 444 L C 2.167 179.015 176.870 -0.036 0.000 1.073 444 L CA 2.247 57.058 54.840 -0.047 0.000 0.745 444 L CB -1.091 40.948 42.059 -0.033 0.000 0.894 444 L HN 0.164 nan 8.230 nan 0.000 0.432 445 A N -0.870 121.938 122.820 -0.020 0.000 1.933 445 A HA -0.220 4.100 4.320 0.000 0.000 0.218 445 A C 2.133 179.709 177.584 -0.013 0.000 1.175 445 A CA 1.852 53.880 52.037 -0.015 0.000 0.628 445 A CB -0.583 18.413 19.000 -0.007 0.000 0.814 445 A HN 0.648 nan 8.150 nan 0.000 0.444 446 E N -0.449 119.745 120.200 -0.009 0.000 2.072 446 E HA -0.097 4.253 4.350 0.000 0.000 0.190 446 E C 2.028 178.616 176.600 -0.019 0.000 0.982 446 E CA 1.529 57.926 56.400 -0.005 0.000 0.803 446 E CB -0.224 29.484 29.700 0.013 0.000 0.755 446 E HN 0.657 nan 8.360 nan 0.000 0.453 447 V N -0.723 119.167 119.914 -0.040 0.000 2.949 447 V HA 0.111 4.231 4.120 0.000 0.000 0.245 447 V C 0.934 176.997 176.094 -0.051 0.000 1.086 447 V CA 0.012 62.280 62.300 -0.054 0.000 1.097 447 V CB -0.116 31.650 31.823 -0.094 0.000 0.762 447 V HN -0.109 nan 8.190 nan 0.000 0.470 448 K N 2.313 122.683 120.400 -0.050 0.000 2.319 448 K HA 0.127 4.447 4.320 0.000 0.000 0.265 448 K C -0.042 176.537 176.600 -0.036 0.000 1.000 448 K CA 0.214 56.474 56.287 -0.046 0.000 0.943 448 K CB 0.324 32.797 32.500 -0.044 0.000 0.950 448 K HN 0.591 nan 8.250 nan 0.000 0.485 449 D N 2.034 122.413 120.400 -0.036 0.000 2.533 449 D HA -0.084 4.556 4.640 0.000 0.000 0.236 449 D C 0.799 177.082 176.300 -0.028 0.000 1.137 449 D CA 0.692 54.673 54.000 -0.031 0.000 0.867 449 D CB 0.719 41.500 40.800 -0.032 0.000 1.170 449 D HN 0.521 nan 8.370 nan 0.000 0.474 450 K N 1.727 122.113 120.400 -0.024 0.000 2.063 450 K HA -0.163 4.157 4.320 0.000 0.000 0.208 450 K C 1.601 178.187 176.600 -0.023 0.000 1.048 450 K CA 1.565 57.839 56.287 -0.021 0.000 0.928 450 K CB 0.051 32.541 32.500 -0.017 0.000 0.713 450 K HN 0.518 nan 8.250 nan 0.000 0.442 451 T N 0.524 115.063 114.554 -0.025 0.000 2.777 451 T HA -0.082 4.268 4.350 0.000 0.000 0.266 451 T C 1.797 176.478 174.700 -0.032 0.000 1.040 451 T CA 1.132 63.215 62.100 -0.027 0.000 1.141 451 T CB -0.245 68.607 68.868 -0.028 0.000 0.868 451 T HN 0.387 nan 8.240 nan 0.000 0.444 452 A N 1.211 124.011 122.820 -0.034 0.000 1.883 452 A HA -0.094 4.226 4.320 0.000 0.000 0.217 452 A C 2.248 179.809 177.584 -0.038 0.000 1.186 452 A CA 1.453 53.467 52.037 -0.039 0.000 0.624 452 A CB -0.835 18.141 19.000 -0.039 0.000 0.822 452 A HN 0.427 nan 8.150 nan 0.000 0.444 453 I N 0.058 120.608 120.570 -0.033 0.000 2.286 453 I HA -0.208 3.962 4.170 0.000 0.000 0.248 453 I C 2.260 178.359 176.117 -0.029 0.000 1.115 453 I CA 1.792 63.074 61.300 -0.031 0.000 1.392 453 I CB -0.305 37.679 38.000 -0.027 0.000 1.065 453 I HN 0.463 nan 8.210 nan 0.000 0.418 454 E N -0.043 120.140 120.200 -0.027 0.000 2.077 454 E HA -0.142 4.208 4.350 0.000 0.000 0.193 454 E C 1.123 177.705 176.600 -0.030 0.000 0.989 454 E CA 0.625 57.010 56.400 -0.025 0.000 0.800 454 E CB -0.181 29.506 29.700 -0.023 0.000 0.746 454 E HN 0.395 nan 8.360 nan 0.000 0.452 458 S N 1.351 117.034 115.700 -0.029 0.000 2.383 458 S HA 0.041 4.511 4.470 0.000 0.000 0.227 458 S C 1.848 176.429 174.600 -0.032 0.000 1.026 458 S CA 1.087 59.270 58.200 -0.027 0.000 0.981 458 S CB 0.004 63.188 63.200 -0.027 0.000 0.818 458 S HN 0.181 nan 8.310 nan 0.000 0.472 459 I N 1.236 121.779 120.570 -0.045 0.000 2.353 459 I HA -0.132 4.038 4.170 0.000 0.000 0.248 459 I C 2.446 178.533 176.117 -0.050 0.000 1.119 459 I CA 0.963 62.229 61.300 -0.056 0.000 1.417 459 I CB -0.210 37.740 38.000 -0.084 0.000 1.078 459 I HN 0.164 nan 8.210 nan 0.000 0.421 460 K N 2.072 122.446 120.400 -0.044 0.000 2.009 460 K HA -0.145 4.175 4.320 0.000 0.000 0.210 460 K C 2.059 178.646 176.600 -0.022 0.000 1.049 460 K CA 2.075 58.343 56.287 -0.031 0.000 0.929 460 K CB -0.574 31.911 32.500 -0.025 0.000 0.714 460 K HN 0.233 nan 8.250 nan 0.000 0.440 461 A N 0.477 123.285 122.820 -0.020 0.000 1.972 461 A HA -0.103 4.217 4.320 0.000 0.000 0.219 461 A C 2.115 179.684 177.584 -0.024 0.000 1.169 461 A CA 1.634 53.661 52.037 -0.017 0.000 0.635 461 A CB -0.663 18.330 19.000 -0.011 0.000 0.810 461 A HN 0.383 nan 8.150 nan 0.000 0.446 462 L N -1.116 120.093 121.223 -0.023 0.000 2.044 462 L HA 0.031 4.371 4.340 0.000 0.000 0.205 462 L C 1.951 178.809 176.870 -0.020 0.000 1.075 462 L CA 1.655 56.482 54.840 -0.021 0.000 0.747 462 L CB -0.577 41.473 42.059 -0.015 0.000 0.903 462 L HN 0.256 nan 8.230 nan 0.000 0.435 463 L N -0.852 120.364 121.223 -0.012 0.000 2.418 463 L HA 0.097 4.437 4.340 0.000 0.000 0.218 463 L C 0.338 177.208 176.870 0.001 0.000 1.125 463 L CA 0.900 55.748 54.840 0.013 0.000 0.835 463 L CB -0.397 41.684 42.059 0.037 0.000 0.953 463 L HN 0.301 nan 8.230 nan 0.000 0.454 464 D N -1.380 119.007 120.400 -0.021 0.000 2.849 464 D HA 0.158 4.798 4.640 0.000 0.000 0.314 464 D C -1.785 174.482 176.300 -0.055 0.000 1.210 464 D CA -1.421 52.561 54.000 -0.030 0.000 0.756 464 D CB 0.759 41.562 40.800 0.005 0.000 1.222 464 D HN -0.122 nan 8.370 nan 0.000 0.521 465 P HA -0.159 nan 4.420 nan 0.000 0.216 465 P C 0.723 178.003 177.300 -0.035 0.000 1.150 465 P CA 1.313 64.338 63.100 -0.125 0.000 0.843 465 P CB 0.009 31.571 31.700 -0.231 0.000 0.787 466 H N -1.592 117.489 119.070 0.020 0.000 2.539 466 H HA 0.312 4.869 4.556 0.000 0.000 0.267 466 H C 1.135 176.474 175.328 0.018 0.000 0.982 466 H CA 0.039 56.098 56.048 0.019 0.000 1.146 466 H CB -0.385 29.391 29.762 0.022 0.000 1.382 466 H HN 0.147 nan 8.280 nan 0.000 0.577 467 G N 1.918 110.777 108.800 0.098 0.000 2.273 467 G HA2 -0.300 3.660 3.960 0.000 0.000 0.280 467 G HA3 -0.300 3.660 3.960 0.000 0.000 0.280 467 G C 0.336 175.273 174.900 0.061 0.000 1.047 467 G CA 0.706 45.844 45.100 0.063 0.000 0.869 467 G HN 0.594 nan 8.290 nan 0.000 0.502 471 P HA 0.254 nan 4.420 nan 0.000 0.270 471 P C 0.887 178.187 177.300 0.001 0.000 1.223 471 P CA 0.994 64.099 63.100 0.008 0.000 0.785 471 P CB 0.503 32.210 31.700 0.012 0.000 0.923 472 G N 0.575 109.371 108.800 -0.007 0.000 2.143 472 G HA2 -0.219 3.741 3.960 0.000 0.000 0.248 472 G HA3 -0.219 3.741 3.960 0.000 0.000 0.248 472 G C -0.139 174.742 174.900 -0.032 0.000 0.991 472 G CA 0.103 45.189 45.100 -0.023 0.000 0.689 472 G HN 0.651 nan 8.290 nan 0.000 0.522 473 K N -0.760 119.630 120.400 -0.016 0.000 2.422 473 K HA 0.698 5.018 4.320 0.000 0.000 0.251 473 K C 1.188 177.784 176.600 -0.007 0.000 0.933 473 K CA -0.552 55.726 56.287 -0.014 0.000 0.798 473 K CB 3.031 35.530 32.500 -0.001 0.000 1.238 473 K HN 0.527 nan 8.250 nan 0.000 0.428 474 V N -0.905 119.005 119.914 -0.006 0.000 0.550 474 V HA -0.381 3.739 4.120 0.000 0.000 0.092 474 V C 0.413 176.500 176.094 -0.012 0.000 2.065 474 V CA 1.790 64.087 62.300 -0.005 0.000 3.496 474 V CB -2.053 29.768 31.823 -0.004 0.000 0.788 474 V HN 0.709 nan 8.190 nan 0.000 0.820 475 V N 0.000 119.906 119.914 -0.013 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 475 V CB 0.000 31.812 31.823 -0.019 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556