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_D 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 0.000 174.725 174.700 0.041 0.000 1.109 11 T CA 0.000 62.123 62.100 0.039 0.000 1.349 11 T CB 0.000 68.889 68.868 0.035 0.000 0.612 12 L N 3.626 124.878 121.223 0.049 0.000 2.559 12 L HA 0.440 4.780 4.340 -0.000 0.000 0.274 12 L C 0.760 177.662 176.870 0.054 0.000 1.205 12 L CA 0.535 55.411 54.840 0.061 0.000 0.907 12 L CB 0.301 42.403 42.059 0.072 0.000 1.153 12 L HN 0.715 nan 8.230 nan 0.000 0.490 13 S N 5.094 120.825 115.700 0.052 0.000 2.572 13 S HA 0.312 4.782 4.470 -0.000 0.000 0.279 13 S C -1.714 172.909 174.600 0.039 0.000 1.341 13 S CA -0.819 57.402 58.200 0.036 0.000 1.043 13 S CB 0.586 63.800 63.200 0.023 0.000 0.887 13 S HN 0.625 nan 8.310 nan 0.000 0.516 14 P HA -0.140 nan 4.420 nan 0.000 0.216 14 P C 1.475 178.785 177.300 0.016 0.000 1.150 14 P CA 1.440 64.553 63.100 0.023 0.000 0.843 14 P CB 0.039 31.747 31.700 0.013 0.000 0.787 15 E N 0.087 120.289 120.200 0.004 0.000 2.023 15 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 15 E C 1.889 178.470 176.600 -0.032 0.000 1.003 15 E CA 1.431 57.821 56.400 -0.016 0.000 0.809 15 E CB -1.184 28.503 29.700 -0.022 0.000 0.755 15 E HN 0.112 nan 8.360 nan 0.000 0.449 16 L N 0.127 121.341 121.223 -0.016 0.000 2.093 16 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 16 L C 2.624 179.542 176.870 0.079 0.000 1.085 16 L CA 0.977 55.793 54.840 -0.039 0.000 0.755 16 L CB -0.411 41.679 42.059 0.051 0.000 0.904 16 L HN 0.242 nan 8.230 nan 0.000 0.435 17 I N -0.027 120.623 120.570 0.133 0.000 2.226 17 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 17 I C 2.832 179.018 176.117 0.115 0.000 1.100 17 I CA 1.194 62.594 61.300 0.167 0.000 1.374 17 I CB -0.494 37.562 38.000 0.094 0.000 1.057 17 I HN 0.215 nan 8.210 nan 0.000 0.413 18 A N 0.991 123.840 122.820 0.048 0.000 1.877 18 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 18 A C 2.415 180.001 177.584 0.003 0.000 1.186 18 A CA 1.550 53.600 52.037 0.021 0.000 0.620 18 A CB -0.586 18.414 19.000 0.000 0.000 0.822 18 A HN 0.315 nan 8.150 nan 0.000 0.443 19 R N -1.778 118.687 120.500 -0.058 0.000 2.081 19 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 19 R C 1.904 178.140 176.300 -0.106 0.000 1.131 19 R CA 1.587 57.608 56.100 -0.130 0.000 0.960 19 R CB -0.511 29.640 30.300 -0.248 0.000 0.856 19 R HN 0.532 nan 8.270 nan 0.000 0.436 20 F N 0.816 120.764 119.950 -0.003 0.000 2.134 20 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 20 F C 2.633 178.432 175.800 -0.001 0.000 1.097 20 F CA 1.413 59.411 58.000 -0.003 0.000 1.264 20 F CB -0.960 38.035 39.000 -0.008 0.000 1.001 20 F HN -0.033 nan 8.300 nan 0.000 0.479 21 T N 0.059 114.725 114.554 0.186 0.000 2.665 21 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 21 T C 2.297 177.042 174.700 0.075 0.000 1.035 21 T CA 1.535 63.696 62.100 0.102 0.000 1.151 21 T CB -0.815 68.091 68.868 0.063 0.000 0.862 21 T HN 0.302 nan 8.240 nan 0.000 0.438 22 A N 1.128 123.979 122.820 0.052 0.000 1.917 22 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 22 A C 2.303 179.914 177.584 0.045 0.000 1.182 22 A CA 1.511 53.567 52.037 0.033 0.000 0.633 22 A CB -0.892 18.112 19.000 0.007 0.000 0.819 22 A HN 0.554 nan 8.150 nan 0.000 0.448 23 I N -0.092 120.514 120.570 0.060 0.000 2.163 23 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 23 I C 2.260 178.419 176.117 0.071 0.000 1.085 23 I CA 1.941 63.280 61.300 0.064 0.000 1.347 23 I CB -0.199 37.857 38.000 0.094 0.000 1.044 23 I HN 0.372 nan 8.210 nan 0.000 0.408 24 V N -1.969 118.002 119.914 0.094 0.000 3.644 24 V HA 0.520 4.640 4.120 -0.000 0.000 0.267 24 V C 0.814 177.022 176.094 0.189 0.000 1.277 24 V CA 0.148 62.513 62.300 0.108 0.000 1.096 24 V CB -0.643 31.240 31.823 0.100 0.000 0.828 24 V HN 0.506 nan 8.190 nan 0.000 0.446 25 G N 2.231 111.110 108.800 0.131 0.000 3.039 25 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 25 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 25 G C 0.137 175.055 174.900 0.030 0.000 1.066 25 G CA 0.113 45.272 45.100 0.098 0.000 0.774 25 G HN 0.622 nan 8.290 nan 0.000 0.591 26 D N 1.600 121.988 120.400 -0.020 0.000 2.182 26 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 26 D C 1.754 177.987 176.300 -0.112 0.000 0.986 26 D CA 1.500 55.475 54.000 -0.042 0.000 0.847 26 D CB -0.024 40.756 40.800 -0.034 0.000 0.942 26 D HN 0.670 nan 8.370 nan 0.000 0.467 27 K N -0.472 119.784 120.400 -0.241 0.000 2.360 27 K HA -0.133 4.187 4.320 -0.000 0.000 0.201 27 K C 0.811 177.143 176.600 -0.447 0.000 1.046 27 K CA 1.035 57.091 56.287 -0.384 0.000 0.940 27 K CB -0.193 31.985 32.500 -0.538 0.000 0.748 27 K HN 0.520 nan 8.250 nan 0.000 0.465 28 H N -1.610 117.457 119.070 -0.005 0.000 2.581 28 H HA 0.342 4.898 4.556 -0.000 0.000 0.275 28 H C -0.644 174.660 175.328 -0.041 0.000 1.126 28 H CA -0.437 55.600 56.048 -0.017 0.000 1.097 28 H CB 1.056 30.813 29.762 -0.009 0.000 1.626 28 H HN 0.020 nan 8.280 nan 0.000 0.565 29 A N 1.934 124.766 122.820 0.019 0.000 2.323 29 A HA 0.484 4.804 4.320 -0.000 0.000 0.305 29 A C -0.765 176.795 177.584 -0.039 0.000 1.275 29 A CA -0.617 51.414 52.037 -0.011 0.000 0.804 29 A CB 0.342 19.353 19.000 0.018 0.000 1.152 29 A HN 0.281 nan 8.150 nan 0.000 0.487 30 L N 2.984 124.159 121.223 -0.080 0.000 2.272 30 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 30 L C 1.204 178.038 176.870 -0.060 0.000 1.032 30 L CA -0.294 54.503 54.840 -0.072 0.000 0.810 30 L CB 1.645 43.639 42.059 -0.109 0.000 1.205 30 L HN 0.892 nan 8.230 nan 0.000 0.422 31 T N -3.457 111.080 114.554 -0.027 0.000 2.954 31 T HA 0.039 4.388 4.350 -0.000 0.000 0.252 31 T C 0.470 175.170 174.700 0.000 0.000 0.983 31 T CA -0.338 61.754 62.100 -0.013 0.000 0.941 31 T CB 0.218 69.084 68.868 -0.003 0.000 1.141 31 T HN 0.399 nan 8.240 nan 0.000 0.500 32 D N 3.395 123.798 120.400 0.005 0.000 2.401 32 D HA 0.182 4.822 4.640 -0.000 0.000 0.254 32 D C -1.537 174.777 176.300 0.024 0.000 1.192 32 D CA -2.066 51.942 54.000 0.014 0.000 0.885 32 D CB 1.647 42.456 40.800 0.015 0.000 1.147 32 D HN -0.014 nan 8.370 nan 0.000 0.478 33 P HA -0.153 nan 4.420 nan 0.000 0.217 33 P C 1.629 178.953 177.300 0.041 0.000 1.151 33 P CA 1.031 64.151 63.100 0.033 0.000 0.849 33 P CB 0.197 31.913 31.700 0.026 0.000 0.787 34 L N -0.823 120.422 121.223 0.036 0.000 2.056 34 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 34 L C 2.376 179.280 176.870 0.056 0.000 1.078 34 L CA 1.578 56.441 54.840 0.038 0.000 0.749 34 L CB -0.831 41.245 42.059 0.029 0.000 0.901 34 L HN 0.046 nan 8.230 nan 0.000 0.433 35 E N 0.181 120.421 120.200 0.066 0.000 2.072 35 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 35 E C 2.330 179.042 176.600 0.185 0.000 0.982 35 E CA 0.856 57.321 56.400 0.109 0.000 0.803 35 E CB -0.103 29.646 29.700 0.083 0.000 0.755 35 E HN 0.424 nan 8.360 nan 0.000 0.453 36 L N 1.123 122.425 121.223 0.132 0.000 2.191 36 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 36 L C 2.477 179.458 176.870 0.185 0.000 1.103 36 L CA 0.774 55.710 54.840 0.160 0.000 0.769 36 L CB -0.304 41.794 42.059 0.066 0.000 0.908 36 L HN 0.110 nan 8.230 nan 0.000 0.438 37 E N 0.956 121.224 120.200 0.114 0.000 2.147 37 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 37 E C 2.076 178.701 176.600 0.042 0.000 1.005 37 E CA 1.700 58.141 56.400 0.068 0.000 0.810 37 E CB -0.091 29.635 29.700 0.043 0.000 0.736 37 E HN 0.420 nan 8.360 nan 0.000 0.460 38 A N -1.337 121.493 122.820 0.016 0.000 2.167 38 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 38 A C 1.369 178.805 177.584 -0.247 0.000 1.151 38 A CA 0.939 52.890 52.037 -0.143 0.000 0.735 38 A CB -0.414 18.433 19.000 -0.255 0.000 0.802 38 A HN 0.403 nan 8.150 nan 0.000 0.467 39 Y N -0.582 119.710 120.300 -0.012 0.000 2.524 39 Y HA 0.188 4.738 4.550 -0.000 0.000 0.270 39 Y C 1.963 177.838 175.900 -0.042 0.000 1.094 39 Y CA 0.439 58.524 58.100 -0.025 0.000 1.276 39 Y CB -0.030 38.413 38.460 -0.028 0.000 1.130 39 Y HN 0.388 nan 8.280 nan 0.000 0.536 40 I N -2.539 118.097 120.570 0.110 0.000 3.684 40 I HA 0.163 4.333 4.170 -0.000 0.000 0.304 40 I C 0.475 176.592 176.117 -0.001 0.000 1.278 40 I CA 0.747 62.062 61.300 0.025 0.000 1.272 40 I CB 0.212 38.229 38.000 0.029 0.000 1.029 40 I HN 0.004 nan 8.210 nan 0.000 0.458 41 T N 1.707 116.267 114.554 0.010 0.000 2.903 41 T HA 0.358 4.708 4.350 -0.000 0.000 0.299 41 T C -0.783 173.918 174.700 0.002 0.000 1.093 41 T CA -0.675 61.433 62.100 0.013 0.000 1.002 41 T CB 1.825 70.705 68.868 0.020 0.000 1.127 41 T HN 0.442 nan 8.240 nan 0.000 0.488 42 E N 2.043 122.254 120.200 0.018 0.000 2.259 42 E HA 0.527 4.877 4.350 -0.000 0.000 0.257 42 E C 1.223 177.828 176.600 0.008 0.000 0.998 42 E CA 0.010 56.416 56.400 0.011 0.000 0.866 42 E CB 0.096 29.816 29.700 0.034 0.000 1.220 42 E HN 0.713 nan 8.360 nan 0.000 0.415 43 E N 0.609 120.813 120.200 0.006 0.000 2.035 43 E HA -0.279 4.071 4.350 -0.000 0.000 0.204 43 E C 2.053 178.662 176.600 0.015 0.000 1.025 43 E CA 3.090 59.495 56.400 0.008 0.000 0.835 43 E CB -1.324 28.384 29.700 0.014 0.000 0.764 43 E HN 0.716 nan 8.360 nan 0.000 0.457 44 R N 1.043 121.556 120.500 0.021 0.000 2.823 44 R HA 0.129 4.469 4.340 -0.000 0.000 0.250 44 R C 1.068 177.372 176.300 0.006 0.000 1.332 44 R CA 0.562 56.675 56.100 0.023 0.000 1.259 44 R CB -1.618 28.702 30.300 0.033 0.000 1.225 44 R HN 0.560 nan 8.270 nan 0.000 0.545 45 N N -0.019 118.684 118.700 0.004 0.000 2.693 45 N HA -0.221 4.519 4.740 -0.000 0.000 0.250 45 N C 0.796 176.276 175.510 -0.050 0.000 1.033 45 N CA 1.239 54.283 53.050 -0.009 0.000 0.747 45 N CB -1.433 37.048 38.487 -0.010 0.000 0.964 45 N HN 0.634 nan 8.380 nan 0.000 0.540 46 L N -1.781 119.408 121.223 -0.057 0.000 2.007 46 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 46 L C 0.503 177.166 176.870 -0.344 0.000 1.073 46 L CA 1.440 56.152 54.840 -0.212 0.000 0.744 46 L CB -0.180 41.793 42.059 -0.143 0.000 0.898 46 L HN 0.152 nan 8.230 nan 0.000 0.435 47 Y N -1.653 118.652 120.300 0.008 0.000 2.524 47 Y HA 0.540 5.090 4.550 -0.000 0.000 0.344 47 Y C -0.095 175.820 175.900 0.025 0.000 1.012 47 Y CA -0.991 57.137 58.100 0.047 0.000 1.068 47 Y CB 1.493 40.049 38.460 0.160 0.000 1.249 47 Y HN -0.126 nan 8.280 nan 0.000 0.468 48 R N 1.135 121.757 120.500 0.204 0.000 2.435 48 R HA 0.618 4.958 4.340 -0.000 0.000 0.308 48 R C -0.362 176.007 176.300 0.114 0.000 0.975 48 R CA -0.361 55.808 56.100 0.115 0.000 0.867 48 R CB 0.763 31.114 30.300 0.084 0.000 1.171 48 R HN 0.951 nan 8.270 nan 0.000 0.470 49 G N 1.999 110.808 108.800 0.014 0.000 2.568 49 G HA2 0.361 4.321 3.960 -0.000 0.000 0.293 49 G HA3 0.361 4.321 3.960 -0.000 0.000 0.293 49 G C -0.988 173.934 174.900 0.037 0.000 1.347 49 G CA -0.417 44.639 45.100 -0.072 0.000 1.039 49 G HN 0.773 nan 8.290 nan 0.000 0.523 50 H N -2.252 116.802 119.070 -0.028 0.000 2.865 50 H HA 0.709 5.265 4.556 -0.000 0.000 0.362 50 H C -1.645 173.670 175.328 -0.022 0.000 1.114 50 H CA -0.760 55.281 56.048 -0.011 0.000 1.208 50 H CB 1.517 31.282 29.762 0.005 0.000 1.727 50 H HN 0.554 nan 8.280 nan 0.000 0.534 51 S N 2.427 118.160 115.700 0.055 0.000 2.536 51 S HA 0.355 4.825 4.470 -0.000 0.000 0.271 51 S C -2.207 172.405 174.600 0.020 0.000 1.134 51 S CA -1.137 57.060 58.200 -0.004 0.000 0.897 51 S CB 1.952 65.119 63.200 -0.055 0.000 1.094 51 S HN 0.638 nan 8.310 nan 0.000 0.473 52 P HA 0.299 nan 4.420 nan 0.000 0.239 52 P C -0.395 176.892 177.300 -0.021 0.000 1.188 52 P CA 0.135 63.241 63.100 0.009 0.000 0.794 52 P CB 0.162 31.876 31.700 0.023 0.000 0.937 53 L N -0.466 120.719 121.223 -0.063 0.000 2.565 53 L HA 0.389 4.729 4.340 -0.000 0.000 0.261 53 L C -1.549 175.219 176.870 -0.169 0.000 0.932 53 L CA -0.932 53.847 54.840 -0.102 0.000 0.878 53 L CB 2.290 44.288 42.059 -0.102 0.000 1.333 53 L HN -0.397 nan 8.230 nan 0.000 0.409 54 V N 5.585 125.374 119.914 -0.207 0.000 2.513 54 V HA 0.614 4.734 4.120 -0.000 0.000 0.299 54 V C -0.282 175.655 176.094 -0.262 0.000 1.035 54 V CA -0.511 61.599 62.300 -0.317 0.000 0.889 54 V CB 1.803 33.271 31.823 -0.592 0.000 0.988 54 V HN 0.648 nan 8.190 nan 0.000 0.440 55 L N 5.173 126.255 121.223 -0.235 0.000 2.362 55 L HA 0.668 5.008 4.340 -0.000 0.000 0.271 55 L C -0.167 176.635 176.870 -0.113 0.000 1.002 55 L CA -0.730 54.025 54.840 -0.142 0.000 0.818 55 L CB 2.330 44.307 42.059 -0.136 0.000 1.298 55 L HN 0.553 nan 8.230 nan 0.000 0.420 56 R N 2.550 123.023 120.500 -0.046 0.000 2.564 56 R HA 0.305 4.645 4.340 -0.000 0.000 0.282 56 R C -2.604 173.657 176.300 -0.066 0.000 1.573 56 R CA -1.627 54.452 56.100 -0.036 0.000 1.588 56 R CB 0.734 31.040 30.300 0.010 0.000 1.154 56 R HN 0.289 nan 8.270 nan 0.000 0.606 57 P HA 0.038 nan 4.420 nan 0.000 0.272 57 P C 0.362 177.604 177.300 -0.097 0.000 1.230 57 P CA 0.047 63.110 63.100 -0.062 0.000 0.788 57 P CB 1.124 32.806 31.700 -0.029 0.000 0.949 58 G N -0.423 108.313 108.800 -0.106 0.000 3.192 58 G HA2 0.279 4.239 3.960 -0.000 0.000 0.239 58 G HA3 0.279 4.239 3.960 -0.000 0.000 0.239 58 G C -0.028 174.833 174.900 -0.065 0.000 1.084 58 G CA 0.077 45.111 45.100 -0.110 0.000 0.784 58 G HN 0.721 nan 8.290 nan 0.000 0.540 59 S N -2.359 113.313 115.700 -0.047 0.000 2.565 59 S HA 0.416 4.886 4.470 -0.000 0.000 0.269 59 S C 0.645 175.229 174.600 -0.026 0.000 1.153 59 S CA 0.111 58.291 58.200 -0.033 0.000 0.835 59 S CB 1.344 64.529 63.200 -0.026 0.000 1.122 59 S HN -0.140 nan 8.310 nan 0.000 0.462 60 T N 1.219 115.758 114.554 -0.025 0.000 2.746 60 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 60 T C 1.580 176.271 174.700 -0.015 0.000 1.039 60 T CA 1.919 64.005 62.100 -0.024 0.000 1.142 60 T CB -0.631 68.220 68.868 -0.029 0.000 0.866 60 T HN 0.813 nan 8.240 nan 0.000 0.444 61 E N 0.985 121.177 120.200 -0.013 0.000 2.114 61 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 61 E C 2.047 178.648 176.600 0.003 0.000 1.008 61 E CA 1.512 57.909 56.400 -0.006 0.000 0.810 61 E CB -0.046 29.651 29.700 -0.006 0.000 0.739 61 E HN 0.599 nan 8.360 nan 0.000 0.456 62 E N -0.331 119.870 120.200 0.002 0.000 2.106 62 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 62 E C 2.208 178.823 176.600 0.025 0.000 0.984 62 E CA 1.152 57.561 56.400 0.015 0.000 0.806 62 E CB 0.146 29.851 29.700 0.008 0.000 0.750 62 E HN 0.157 nan 8.360 nan 0.000 0.458 63 V N 0.936 120.856 119.914 0.010 0.000 2.407 63 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 63 V C 2.311 178.421 176.094 0.025 0.000 1.055 63 V CA 1.251 63.559 62.300 0.013 0.000 1.049 63 V CB -0.356 31.464 31.823 -0.006 0.000 0.662 63 V HN 0.140 nan 8.190 nan 0.000 0.455 64 V N 0.291 120.214 119.914 0.016 0.000 2.295 64 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 64 V C 2.716 178.831 176.094 0.035 0.000 1.049 64 V CA 2.142 64.454 62.300 0.019 0.000 1.024 64 V CB -1.109 30.718 31.823 0.007 0.000 0.648 64 V HN 0.570 nan 8.190 nan 0.000 0.447 65 A N -0.188 122.654 122.820 0.037 0.000 1.902 65 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 65 A C 2.178 179.813 177.584 0.085 0.000 1.181 65 A CA 1.993 54.056 52.037 0.043 0.000 0.623 65 A CB -0.559 18.461 19.000 0.034 0.000 0.818 65 A HN 0.511 nan 8.150 nan 0.000 0.443 66 I N -0.580 120.070 120.570 0.134 0.000 2.163 66 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 66 I C 2.586 178.847 176.117 0.241 0.000 1.085 66 I CA 1.378 62.837 61.300 0.265 0.000 1.347 66 I CB -0.582 37.525 38.000 0.177 0.000 1.044 66 I HN 0.394 nan 8.210 nan 0.000 0.408 67 C N 0.844 120.221 119.300 0.127 0.000 2.432 67 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 67 C C 2.774 177.825 174.990 0.103 0.000 1.249 67 C CA 0.820 59.899 59.018 0.103 0.000 1.725 67 C CB -0.967 26.809 27.740 0.060 0.000 2.028 67 C HN 0.426 nan 8.230 nan 0.000 0.477 68 K N 0.249 120.694 120.400 0.076 0.000 2.074 68 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 68 K C 1.873 178.505 176.600 0.053 0.000 1.048 68 K CA 1.307 57.627 56.287 0.056 0.000 0.926 68 K CB -0.432 32.087 32.500 0.031 0.000 0.713 68 K HN 0.329 nan 8.250 nan 0.000 0.444 69 L N 0.927 122.176 121.223 0.044 0.000 2.027 69 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 69 L C 2.215 179.127 176.870 0.071 0.000 1.074 69 L CA 1.806 56.628 54.840 -0.030 0.000 0.745 69 L CB -0.775 41.144 42.059 -0.233 0.000 0.898 69 L HN 0.124 nan 8.230 nan 0.000 0.433 70 A N -0.494 122.473 122.820 0.246 0.000 1.940 70 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 70 A C 2.195 179.877 177.584 0.163 0.000 1.176 70 A CA 2.025 54.233 52.037 0.286 0.000 0.631 70 A CB -0.985 18.168 19.000 0.256 0.000 0.814 70 A HN 0.617 nan 8.150 nan 0.000 0.446 71 N N -0.415 118.370 118.700 0.142 0.000 2.106 71 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 71 N C 1.918 177.511 175.510 0.139 0.000 1.029 71 N CA 1.742 54.893 53.050 0.168 0.000 0.848 71 N CB -0.287 38.296 38.487 0.161 0.000 1.007 71 N HN 0.394 nan 8.380 nan 0.000 0.423 72 E N -0.600 119.649 120.200 0.081 0.000 2.106 72 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 72 E C 1.525 178.120 176.600 -0.007 0.000 0.984 72 E CA 1.147 57.564 56.400 0.028 0.000 0.806 72 E CB -0.594 29.113 29.700 0.011 0.000 0.750 72 E HN 0.540 nan 8.360 nan 0.000 0.458 73 A N -0.020 122.807 122.820 0.012 0.000 2.307 73 A HA 0.264 4.584 4.320 -0.000 0.000 0.218 73 A C 0.672 178.269 177.584 0.022 0.000 1.228 73 A CA 0.289 52.330 52.037 0.007 0.000 0.857 73 A CB -0.141 18.865 19.000 0.010 0.000 0.897 73 A HN 0.275 nan 8.150 nan 0.000 0.495 74 R N -1.255 119.260 120.500 0.024 0.000 3.333 74 R HA -0.132 4.208 4.340 -0.000 0.000 0.256 74 R C -0.763 175.574 176.300 0.061 0.000 1.010 74 R CA 0.750 56.868 56.100 0.029 0.000 0.680 74 R CB -3.014 27.275 30.300 -0.019 0.000 1.102 74 R HN 0.279 nan 8.270 nan 0.000 0.440 75 V N 0.780 120.754 119.914 0.100 0.000 2.350 75 V HA 0.545 4.665 4.120 -0.000 0.000 0.276 75 V C 1.125 177.263 176.094 0.074 0.000 1.028 75 V CA -0.494 61.871 62.300 0.107 0.000 0.860 75 V CB 1.714 33.660 31.823 0.205 0.000 0.990 75 V HN 0.466 nan 8.190 nan 0.000 0.453 76 A N 6.738 129.582 122.820 0.039 0.000 2.425 76 A HA 0.665 4.985 4.320 -0.000 0.000 0.249 76 A C -0.341 177.231 177.584 -0.019 0.000 1.084 76 A CA -0.050 51.999 52.037 0.019 0.000 0.781 76 A CB 0.120 19.128 19.000 0.013 0.000 1.019 76 A HN 0.809 nan 8.150 nan 0.000 0.490 77 L N 2.021 123.232 121.223 -0.020 0.000 2.333 77 L HA 0.630 4.970 4.340 -0.000 0.000 0.269 77 L C -0.851 175.995 176.870 -0.041 0.000 1.010 77 L CA -0.957 53.851 54.840 -0.054 0.000 0.818 77 L CB 2.114 44.147 42.059 -0.044 0.000 1.306 77 L HN 0.377 nan 8.230 nan 0.000 0.430 78 V N 2.452 122.331 119.914 -0.057 0.000 2.398 78 V HA 0.299 4.419 4.120 -0.000 0.000 0.282 78 V C -2.315 173.759 176.094 -0.032 0.000 1.014 78 V CA -1.531 60.744 62.300 -0.041 0.000 0.838 78 V CB 1.657 33.445 31.823 -0.058 0.000 1.018 78 V HN 0.562 nan 8.190 nan 0.000 0.432 79 P HA 0.280 nan 4.420 nan 0.000 0.271 79 P C -0.804 176.502 177.300 0.010 0.000 1.218 79 P CA -0.024 63.076 63.100 -0.002 0.000 0.780 79 P CB 0.548 32.255 31.700 0.012 0.000 0.901 80 Q N 0.954 120.767 119.800 0.022 0.000 2.403 80 Q HA 0.523 4.863 4.340 -0.000 0.000 0.267 80 Q C -0.685 175.346 176.000 0.051 0.000 0.991 80 Q CA -0.605 55.222 55.803 0.041 0.000 0.906 80 Q CB 1.298 30.074 28.738 0.063 0.000 1.422 80 Q HN 0.512 nan 8.270 nan 0.000 0.400 81 G N 1.283 110.111 108.800 0.047 0.000 2.727 81 G HA2 0.286 4.246 3.960 -0.000 0.000 0.212 81 G HA3 0.286 4.246 3.960 -0.000 0.000 0.212 81 G C 0.663 175.586 174.900 0.038 0.000 2.076 81 G CA 0.398 45.524 45.100 0.043 0.000 0.744 81 G HN 0.717 nan 8.290 nan 0.000 0.775 82 G N -0.210 108.606 108.800 0.027 0.000 2.534 82 G HA2 0.020 3.980 3.960 -0.000 0.000 0.217 82 G HA3 0.020 3.980 3.960 -0.000 0.000 0.217 82 G C 0.867 175.763 174.900 -0.006 0.000 1.128 82 G CA 1.097 46.203 45.100 0.011 0.000 0.784 82 G HN 0.785 nan 8.290 nan 0.000 0.542 83 N N -0.440 118.264 118.700 0.006 0.000 2.780 83 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 83 N C 1.131 176.642 175.510 0.002 0.000 1.102 83 N CA 1.459 54.507 53.050 -0.003 0.000 0.697 83 N CB -1.556 36.905 38.487 -0.043 0.000 1.028 83 N HN 0.450 nan 8.380 nan 0.000 0.554 84 T N -3.819 110.746 114.554 0.019 0.000 3.054 84 T HA 0.388 4.738 4.350 -0.000 0.000 0.255 84 T C 1.074 175.793 174.700 0.032 0.000 1.035 84 T CA 0.203 62.319 62.100 0.026 0.000 0.941 84 T CB 0.188 69.079 68.868 0.037 0.000 1.026 84 T HN 0.466 nan 8.240 nan 0.000 0.533 85 G N 1.247 110.069 108.800 0.037 0.000 2.414 85 G HA2 0.415 4.375 3.960 -0.000 0.000 0.236 85 G HA3 0.415 4.375 3.960 -0.000 0.000 0.236 85 G C 0.315 175.232 174.900 0.027 0.000 1.293 85 G CA -0.443 44.683 45.100 0.043 0.000 0.869 85 G HN 0.523 nan 8.290 nan 0.000 0.556 86 L N 1.849 123.069 121.223 -0.004 0.000 2.857 86 L HA 0.171 4.511 4.340 -0.000 0.000 0.249 86 L C 1.227 178.135 176.870 0.063 0.000 1.172 86 L CA -0.155 54.661 54.840 -0.041 0.000 0.980 86 L CB 0.556 42.430 42.059 -0.309 0.000 1.299 86 L HN 0.523 nan 8.230 nan 0.000 0.535 87 V N -4.825 115.155 119.914 0.109 0.000 3.111 87 V HA 0.538 4.658 4.120 -0.000 0.000 0.343 87 V C 1.091 177.237 176.094 0.087 0.000 1.417 87 V CA 0.134 62.523 62.300 0.148 0.000 1.142 87 V CB 0.111 32.011 31.823 0.128 0.000 1.114 87 V HN 0.300 nan 8.190 nan 0.000 0.520 88 G N 0.543 109.394 108.800 0.086 0.000 2.203 88 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.263 88 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.263 88 G C 1.014 175.912 174.900 -0.004 0.000 1.012 88 G CA 0.609 45.668 45.100 -0.068 0.000 0.749 88 G HN 1.265 nan 8.290 nan 0.000 0.512 89 G N 0.114 108.923 108.800 0.016 0.000 2.408 89 G HA2 0.000 3.960 3.960 -0.000 0.000 0.217 89 G HA3 0.000 3.960 3.960 -0.000 0.000 0.217 89 G C 1.577 176.484 174.900 0.011 0.000 1.150 89 G CA 1.548 46.660 45.100 0.019 0.000 0.776 89 G HN 0.886 nan 8.290 nan 0.000 0.542 90 Q N 0.758 120.560 119.800 0.003 0.000 2.360 90 Q HA 0.075 4.414 4.340 -0.000 0.000 0.202 90 Q C -0.087 175.878 176.000 -0.059 0.000 0.915 90 Q CA 0.270 56.067 55.803 -0.010 0.000 0.943 90 Q CB -0.539 28.206 28.738 0.012 0.000 1.064 90 Q HN 0.223 nan 8.270 nan 0.000 0.511 91 T N 5.072 119.550 114.554 -0.126 0.000 2.845 91 T HA 0.375 4.725 4.350 -0.000 0.000 0.288 91 T C -2.655 171.756 174.700 -0.480 0.000 0.980 91 T CA -1.324 60.596 62.100 -0.301 0.000 1.071 91 T CB 1.531 70.157 68.868 -0.404 0.000 0.941 91 T HN 0.170 nan 8.240 nan 0.000 0.487 92 P HA 0.291 nan 4.420 nan 0.000 0.288 92 P C 0.106 177.115 177.300 -0.484 0.000 1.363 92 P CA -0.486 62.412 63.100 -0.338 0.000 0.837 92 P CB 0.458 32.025 31.700 -0.221 0.000 0.981 93 H N 1.870 120.803 119.070 -0.229 0.000 2.553 93 H HA 0.184 4.740 4.556 -0.000 0.000 0.265 93 H C 0.064 175.190 175.328 -0.337 0.000 0.964 93 H CA 0.342 56.242 56.048 -0.247 0.000 1.156 93 H CB 0.234 29.912 29.762 -0.140 0.000 1.411 93 H HN 0.402 nan 8.280 nan 0.000 0.558 94 N N -0.499 118.060 118.700 -0.233 0.000 2.377 94 N HA 0.177 4.917 4.740 -0.000 0.000 0.259 94 N C 0.580 176.050 175.510 -0.066 0.000 1.332 94 N CA 0.496 53.491 53.050 -0.091 0.000 0.877 94 N CB 1.453 39.949 38.487 0.015 0.000 1.299 94 N HN 0.326 nan 8.380 nan 0.000 0.501 95 G N 0.523 109.178 108.800 -0.242 0.000 2.198 95 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 95 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 95 G C -0.170 174.710 174.900 -0.033 0.000 1.042 95 G CA 0.053 45.149 45.100 -0.007 0.000 0.791 95 G HN 0.351 nan 8.290 nan 0.000 0.502 96 E N -1.112 119.036 120.200 -0.087 0.000 2.369 96 E HA 0.545 4.895 4.350 -0.000 0.000 0.255 96 E C 0.685 177.224 176.600 -0.102 0.000 1.172 96 E CA -0.519 55.836 56.400 -0.075 0.000 0.932 96 E CB 1.058 30.712 29.700 -0.077 0.000 1.040 96 E HN 0.192 nan 8.360 nan 0.000 0.454 97 V N 1.876 121.710 119.914 -0.133 0.000 2.432 97 V HA 0.144 4.264 4.120 -0.000 0.000 0.275 97 V C -0.237 175.747 176.094 -0.183 0.000 1.043 97 V CA -0.687 61.491 62.300 -0.202 0.000 0.925 97 V CB 1.238 32.843 31.823 -0.363 0.000 0.985 97 V HN 0.365 nan 8.190 nan 0.000 0.466 98 V N 6.199 126.009 119.914 -0.173 0.000 2.498 98 V HA 0.329 4.449 4.120 -0.000 0.000 0.279 98 V C 0.093 176.092 176.094 -0.159 0.000 1.048 98 V CA -0.371 61.846 62.300 -0.139 0.000 0.967 98 V CB 1.390 33.143 31.823 -0.115 0.000 0.988 98 V HN 0.562 nan 8.190 nan 0.000 0.473 99 I N 4.084 124.589 120.570 -0.107 0.000 2.412 99 I HA 0.247 4.417 4.170 -0.000 0.000 0.279 99 I C 0.438 176.530 176.117 -0.042 0.000 1.063 99 I CA 0.235 61.480 61.300 -0.092 0.000 1.193 99 I CB 0.971 38.927 38.000 -0.074 0.000 1.370 99 I HN 0.628 nan 8.210 nan 0.000 0.479 100 S N 5.846 121.523 115.700 -0.039 0.000 2.523 100 S HA 0.448 4.918 4.470 -0.000 0.000 0.275 100 S C 0.740 175.352 174.600 0.019 0.000 1.281 100 S CA -0.345 57.878 58.200 0.037 0.000 1.050 100 S CB 0.650 63.920 63.200 0.116 0.000 0.937 100 S HN 0.521 nan 8.310 nan 0.000 0.492 101 L N 5.313 126.553 121.223 0.028 0.000 2.685 101 L HA 0.291 4.631 4.340 -0.000 0.000 0.233 101 L C 1.890 178.768 176.870 0.013 0.000 1.173 101 L CA -0.057 54.788 54.840 0.008 0.000 0.961 101 L CB -0.087 41.975 42.059 0.004 0.000 1.217 101 L HN 0.670 nan 8.230 nan 0.000 0.478 102 K N 0.251 120.673 120.400 0.038 0.000 2.147 102 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 102 K C 0.961 177.568 176.600 0.011 0.000 1.049 102 K CA 0.888 57.198 56.287 0.038 0.000 0.936 102 K CB 0.051 32.597 32.500 0.077 0.000 0.722 102 K HN 0.358 nan 8.250 nan 0.000 0.446 106 K N 0.855 121.234 120.400 -0.035 0.000 2.218 106 K HA 0.497 4.817 4.320 -0.000 0.000 0.276 106 K C -0.042 176.531 176.600 -0.045 0.000 1.022 106 K CA -0.517 55.748 56.287 -0.036 0.000 0.946 106 K CB 0.497 32.977 32.500 -0.033 0.000 1.000 106 K HN 0.242 nan 8.250 nan 0.000 0.468 107 I N 5.838 126.380 120.570 -0.047 0.000 2.297 107 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 107 I C 1.491 177.579 176.117 -0.048 0.000 1.033 107 I CA 0.032 61.297 61.300 -0.058 0.000 1.253 107 I CB 0.930 38.893 38.000 -0.061 0.000 1.396 107 I HN 0.752 nan 8.210 nan 0.000 0.476 108 R N 3.537 124.008 120.500 -0.049 0.000 2.100 108 R HA 0.097 4.437 4.340 -0.000 0.000 0.220 108 R C 0.375 176.654 176.300 -0.036 0.000 1.091 108 R CA 0.675 56.752 56.100 -0.039 0.000 0.986 108 R CB 0.496 30.773 30.300 -0.038 0.000 0.888 108 R HN 0.638 nan 8.270 nan 0.000 0.444 109 E N 0.424 120.599 120.200 -0.041 0.000 2.481 109 E HA 0.162 4.512 4.350 -0.000 0.000 0.301 109 E C -1.524 175.052 176.600 -0.040 0.000 0.948 109 E CA -0.366 56.013 56.400 -0.035 0.000 0.804 109 E CB 1.390 31.071 29.700 -0.031 0.000 1.265 109 E HN -0.078 nan 8.360 nan 0.000 0.406 110 I N 3.552 124.102 120.570 -0.034 0.000 2.339 110 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 110 I C -0.516 175.586 176.117 -0.024 0.000 0.994 110 I CA -0.494 60.786 61.300 -0.032 0.000 1.191 110 I CB 1.429 39.413 38.000 -0.028 0.000 1.343 110 I HN 0.538 nan 8.210 nan 0.000 0.458 111 D N 5.023 125.408 120.400 -0.024 0.000 2.461 111 D HA 0.148 4.788 4.640 -0.000 0.000 0.240 111 D C 1.127 177.416 176.300 -0.019 0.000 1.094 111 D CA -0.292 53.695 54.000 -0.021 0.000 0.868 111 D CB 1.379 42.165 40.800 -0.023 0.000 1.062 111 D HN 0.639 nan 8.370 nan 0.000 0.530 112 T N -0.104 114.442 114.554 -0.013 0.000 3.113 112 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 112 T C 1.387 176.079 174.700 -0.012 0.000 1.143 112 T CA 0.505 62.599 62.100 -0.010 0.000 1.090 112 T CB 0.192 69.058 68.868 -0.003 0.000 0.922 112 T HN 0.117 nan 8.240 nan 0.000 0.521 113 S N 1.084 116.775 115.700 -0.015 0.000 2.460 113 S HA 0.121 4.591 4.470 -0.000 0.000 0.226 113 S C 2.228 176.814 174.600 -0.023 0.000 1.057 113 S CA 0.335 58.526 58.200 -0.016 0.000 0.948 113 S CB -0.021 63.172 63.200 -0.012 0.000 0.822 113 S HN 0.530 nan 8.310 nan 0.000 0.512 114 S N 1.806 117.490 115.700 -0.026 0.000 2.496 114 S HA 0.124 4.594 4.470 -0.000 0.000 0.224 114 S C 0.202 174.772 174.600 -0.048 0.000 0.996 114 S CA 0.008 58.189 58.200 -0.033 0.000 0.927 114 S CB -0.180 63.004 63.200 -0.028 0.000 0.774 114 S HN 0.464 nan 8.310 nan 0.000 0.524 115 N N 2.315 120.986 118.700 -0.047 0.000 2.699 115 N HA -0.116 4.624 4.740 -0.000 0.000 0.257 115 N C -0.517 174.952 175.510 -0.068 0.000 1.077 115 N CA 1.258 54.269 53.050 -0.064 0.000 0.702 115 N CB -1.381 37.045 38.487 -0.102 0.000 0.886 115 N HN 0.675 nan 8.380 nan 0.000 0.549 116 T N -2.155 112.374 114.554 -0.041 0.000 2.883 116 T HA 0.809 5.158 4.350 -0.000 0.000 0.301 116 T C -0.199 174.481 174.700 -0.034 0.000 1.158 116 T CA -0.879 61.202 62.100 -0.032 0.000 1.007 116 T CB 3.075 71.925 68.868 -0.030 0.000 1.186 116 T HN 0.225 nan 8.240 nan 0.000 0.499 117 I N 1.120 121.662 120.570 -0.045 0.000 2.571 117 I HA 0.502 4.672 4.170 -0.000 0.000 0.289 117 I C -1.258 174.809 176.117 -0.084 0.000 1.115 117 I CA -0.464 60.790 61.300 -0.077 0.000 1.045 117 I CB 2.167 40.091 38.000 -0.127 0.000 1.238 117 I HN 0.845 nan 8.210 nan 0.000 0.424 118 T N 7.066 121.577 114.554 -0.072 0.000 2.758 118 T HA 0.600 4.950 4.350 -0.000 0.000 0.285 118 T C -0.534 174.121 174.700 -0.076 0.000 0.981 118 T CA -0.442 61.620 62.100 -0.064 0.000 0.965 118 T CB 1.266 70.106 68.868 -0.046 0.000 0.927 118 T HN 0.475 nan 8.240 nan 0.000 0.448 119 V N 0.874 120.739 119.914 -0.082 0.000 3.078 119 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 119 V C -0.526 175.531 176.094 -0.062 0.000 1.138 119 V CA -1.305 60.946 62.300 -0.082 0.000 1.007 119 V CB 2.005 33.758 31.823 -0.117 0.000 1.045 119 V HN 0.773 nan 8.190 nan 0.000 0.432 120 E N 1.387 121.555 120.200 -0.053 0.000 2.373 120 E HA 0.529 4.879 4.350 -0.000 0.000 0.263 120 E C 1.158 177.736 176.600 -0.036 0.000 1.073 120 E CA -0.013 56.362 56.400 -0.042 0.000 0.894 120 E CB 1.709 31.386 29.700 -0.038 0.000 1.008 120 E HN 0.979 nan 8.360 nan 0.000 0.420 121 A N 2.261 125.064 122.820 -0.027 0.000 2.125 121 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 121 A C 1.788 179.368 177.584 -0.007 0.000 1.156 121 A CA 1.525 53.553 52.037 -0.014 0.000 0.671 121 A CB -0.430 18.564 19.000 -0.010 0.000 0.794 121 A HN 0.694 nan 8.150 nan 0.000 0.459 122 G N -1.081 107.712 108.800 -0.012 0.000 3.042 122 G HA2 0.405 4.365 3.960 -0.000 0.000 0.212 122 G HA3 0.405 4.365 3.960 -0.000 0.000 0.212 122 G C 0.578 175.474 174.900 -0.007 0.000 1.166 122 G CA 0.479 45.577 45.100 -0.004 0.000 0.767 122 G HN 0.726 nan 8.290 nan 0.000 0.546 123 A N 1.259 124.067 122.820 -0.019 0.000 2.488 123 A HA 0.478 4.798 4.320 -0.000 0.000 0.249 123 A C 0.438 178.014 177.584 -0.014 0.000 1.083 123 A CA -0.303 51.718 52.037 -0.027 0.000 0.768 123 A CB 0.241 19.210 19.000 -0.053 0.000 1.017 123 A HN 0.159 nan 8.150 nan 0.000 0.496 124 I N 4.009 124.576 120.570 -0.007 0.000 2.556 124 I HA -0.067 4.102 4.170 -0.000 0.000 0.284 124 I C 1.603 177.727 176.117 0.012 0.000 1.114 124 I CA -0.058 61.247 61.300 0.008 0.000 1.418 124 I CB 0.351 38.356 38.000 0.008 0.000 1.394 124 I HN 0.828 nan 8.210 nan 0.000 0.552 125 L N 6.373 127.619 121.223 0.039 0.000 2.013 125 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 125 L C 2.434 179.348 176.870 0.073 0.000 1.073 125 L CA 2.040 56.927 54.840 0.078 0.000 0.753 125 L CB -0.790 41.334 42.059 0.109 0.000 0.890 125 L HN 0.812 nan 8.230 nan 0.000 0.432 126 Q N -0.755 119.073 119.800 0.047 0.000 2.135 126 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 126 Q C 2.470 178.484 176.000 0.023 0.000 0.981 126 Q CA 2.040 57.864 55.803 0.035 0.000 0.856 126 Q CB -0.185 28.566 28.738 0.022 0.000 0.902 126 Q HN 0.562 nan 8.270 nan 0.000 0.425 127 R N -0.639 119.867 120.500 0.010 0.000 2.090 127 R HA -0.080 4.260 4.340 -0.000 0.000 0.228 127 R C 2.097 178.385 176.300 -0.019 0.000 1.110 127 R CA 1.163 57.260 56.100 -0.005 0.000 0.973 127 R CB -0.010 30.283 30.300 -0.012 0.000 0.869 127 R HN 0.174 nan 8.270 nan 0.000 0.440 128 V N 1.241 121.133 119.914 -0.037 0.000 2.343 128 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 128 V C 2.229 178.306 176.094 -0.029 0.000 1.051 128 V CA 1.881 64.119 62.300 -0.103 0.000 1.036 128 V CB -0.507 31.166 31.823 -0.251 0.000 0.654 128 V HN 0.448 nan 8.190 nan 0.000 0.451 129 Q N -0.261 119.579 119.800 0.067 0.000 2.096 129 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 129 Q C 2.297 178.327 176.000 0.049 0.000 0.982 129 Q CA 2.021 57.889 55.803 0.109 0.000 0.850 129 Q CB -0.202 28.590 28.738 0.090 0.000 0.901 129 Q HN 0.708 nan 8.270 nan 0.000 0.422 130 E N 0.343 120.557 120.200 0.023 0.000 2.051 130 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 130 E C 1.996 178.600 176.600 0.005 0.000 0.991 130 E CA 0.729 57.136 56.400 0.011 0.000 0.799 130 E CB 0.111 29.814 29.700 0.004 0.000 0.748 130 E HN 0.107 nan 8.360 nan 0.000 0.449 131 K N 0.505 120.902 120.400 -0.006 0.000 2.097 131 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 131 K C 2.069 178.667 176.600 -0.003 0.000 1.049 131 K CA 1.051 57.330 56.287 -0.013 0.000 0.933 131 K CB -0.353 32.127 32.500 -0.033 0.000 0.717 131 K HN 0.097 nan 8.250 nan 0.000 0.442 132 A N 1.475 124.300 122.820 0.010 0.000 1.902 132 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 132 A C 2.429 180.034 177.584 0.034 0.000 1.181 132 A CA 2.055 54.113 52.037 0.035 0.000 0.623 132 A CB -0.616 18.441 19.000 0.094 0.000 0.818 132 A HN 0.290 nan 8.150 nan 0.000 0.443 133 A N -0.122 122.716 122.820 0.030 0.000 1.940 133 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 133 A C 1.866 179.459 177.584 0.015 0.000 1.176 133 A CA 1.706 53.757 52.037 0.022 0.000 0.631 133 A CB -0.575 18.434 19.000 0.015 0.000 0.814 133 A HN 0.649 nan 8.150 nan 0.000 0.446 134 E N -0.423 119.783 120.200 0.010 0.000 2.204 134 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 134 E C 1.203 177.807 176.600 0.007 0.000 0.990 134 E CA 1.354 57.758 56.400 0.007 0.000 0.821 134 E CB -0.175 29.527 29.700 0.002 0.000 0.750 134 E HN 0.643 nan 8.360 nan 0.000 0.477 135 V N -1.709 118.210 119.914 0.009 0.000 3.099 135 V HA 0.202 4.322 4.120 -0.000 0.000 0.356 135 V C -0.182 175.921 176.094 0.015 0.000 1.364 135 V CA 0.016 62.321 62.300 0.009 0.000 1.229 135 V CB -0.163 31.663 31.823 0.005 0.000 1.227 135 V HN 0.080 nan 8.190 nan 0.000 0.493 136 D N 0.965 121.376 120.400 0.019 0.000 2.723 136 D HA -0.173 4.467 4.640 -0.000 0.000 0.236 136 D C 0.238 176.559 176.300 0.034 0.000 1.138 136 D CA 0.914 54.928 54.000 0.024 0.000 0.676 136 D CB -0.307 40.506 40.800 0.021 0.000 1.069 136 D HN 0.618 nan 8.370 nan 0.000 0.430 137 R N -0.555 119.970 120.500 0.041 0.000 2.905 137 R HA 0.819 5.159 4.340 -0.000 0.000 0.260 137 R C -0.820 175.523 176.300 0.072 0.000 1.086 137 R CA -1.037 55.101 56.100 0.062 0.000 0.978 137 R CB 0.802 31.139 30.300 0.062 0.000 1.215 137 R HN 0.152 nan 8.270 nan 0.000 0.480 138 L N 0.714 121.999 121.223 0.104 0.000 2.385 138 L HA 0.524 4.864 4.340 -0.000 0.000 0.273 138 L C -1.456 175.505 176.870 0.152 0.000 0.990 138 L CA -0.523 54.359 54.840 0.070 0.000 0.821 138 L CB 1.520 43.565 42.059 -0.024 0.000 1.279 138 L HN 0.485 nan 8.230 nan 0.000 0.412 139 F N 8.093 128.018 119.950 -0.041 0.000 2.293 139 F HA 0.583 5.110 4.527 -0.000 0.000 0.370 139 F C -1.664 174.033 175.800 -0.173 0.000 1.090 139 F CA -2.344 55.637 58.000 -0.032 0.000 1.133 139 F CB 0.948 39.943 39.000 -0.008 0.000 1.360 139 F HN 0.504 nan 8.300 nan 0.000 0.489 140 P HA -0.121 nan 4.420 nan 0.000 0.226 140 P C 0.509 177.405 177.300 -0.675 0.000 1.153 140 P CA 0.470 63.018 63.100 -0.920 0.000 0.777 140 P CB 0.237 30.925 31.700 -1.688 0.000 0.794 141 L N 0.670 121.414 121.223 -0.799 0.000 2.534 141 L HA 0.201 4.541 4.340 -0.000 0.000 0.271 141 L C 0.099 176.823 176.870 -0.244 0.000 1.178 141 L CA 0.603 55.173 54.840 -0.449 0.000 0.907 141 L CB -0.317 41.499 42.059 -0.405 0.000 1.164 141 L HN -0.123 nan 8.230 nan 0.000 0.482 142 S N 6.113 121.718 115.700 -0.158 0.000 2.720 142 S HA 0.726 5.196 4.470 -0.000 0.000 0.278 142 S C -0.864 173.703 174.600 -0.055 0.000 1.172 142 S CA -0.792 57.348 58.200 -0.101 0.000 1.019 142 S CB 0.300 63.412 63.200 -0.146 0.000 1.049 142 S HN 0.666 nan 8.310 nan 0.000 0.483 143 L N 2.453 123.673 121.223 -0.004 0.000 2.194 143 L HA 0.910 5.250 4.340 -0.000 0.000 0.248 143 L C 1.336 178.242 176.870 0.060 0.000 1.071 143 L CA -1.087 53.781 54.840 0.045 0.000 0.901 143 L CB 0.289 42.396 42.059 0.080 0.000 1.497 143 L HN 0.563 nan 8.230 nan 0.000 0.442 144 G N -0.930 107.931 108.800 0.102 0.000 2.534 144 G HA2 0.136 4.096 3.960 -0.000 0.000 0.217 144 G HA3 0.136 4.096 3.960 -0.000 0.000 0.217 144 G C 0.895 175.844 174.900 0.082 0.000 1.128 144 G CA 0.690 45.849 45.100 0.098 0.000 0.784 144 G HN 0.790 nan 8.290 nan 0.000 0.542 145 A N -0.213 122.657 122.820 0.082 0.000 2.423 145 A HA 0.345 4.665 4.320 -0.000 0.000 0.246 145 A C 1.822 179.437 177.584 0.052 0.000 1.278 145 A CA 0.248 52.324 52.037 0.065 0.000 0.903 145 A CB -0.076 18.967 19.000 0.071 0.000 0.997 145 A HN 0.346 nan 8.150 nan 0.000 0.510 146 Q N -0.179 119.650 119.800 0.048 0.000 2.182 146 Q HA -0.251 4.089 4.340 -0.000 0.000 0.213 146 Q C 1.990 178.010 176.000 0.034 0.000 1.000 146 Q CA 1.794 57.621 55.803 0.041 0.000 0.889 146 Q CB -0.375 28.379 28.738 0.027 0.000 0.932 146 Q HN 0.708 nan 8.270 nan 0.000 0.415 147 G N -0.636 108.181 108.800 0.028 0.000 2.470 147 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 147 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 147 G C 1.204 176.114 174.900 0.018 0.000 1.121 147 G CA 1.227 46.340 45.100 0.021 0.000 0.766 147 G HN 0.475 nan 8.290 nan 0.000 0.553 148 S N -1.681 114.031 115.700 0.021 0.000 2.617 148 S HA 0.045 4.515 4.470 -0.000 0.000 0.278 148 S C 1.046 175.659 174.600 0.022 0.000 1.082 148 S CA 0.093 58.302 58.200 0.015 0.000 1.228 148 S CB -0.682 62.521 63.200 0.004 0.000 1.130 148 S HN 0.677 nan 8.310 nan 0.000 0.621 149 C N 3.937 123.258 119.300 0.034 0.000 2.652 149 C HA 0.752 5.212 4.460 -0.000 0.000 0.412 149 C C 0.908 175.924 174.990 0.044 0.000 1.294 149 C CA -0.050 58.994 59.018 0.043 0.000 2.127 149 C CB -0.211 27.565 27.740 0.059 0.000 2.691 149 C HN 0.579 nan 8.230 nan 0.000 0.615 150 T N 1.429 116.009 114.554 0.043 0.000 2.950 150 T HA 0.469 4.819 4.350 -0.000 0.000 0.288 150 T C 1.086 175.815 174.700 0.048 0.000 1.035 150 T CA -0.835 61.287 62.100 0.037 0.000 1.028 150 T CB 0.875 69.759 68.868 0.027 0.000 1.109 150 T HN 0.556 nan 8.240 nan 0.000 0.514 151 I N 1.463 122.055 120.570 0.037 0.000 2.208 151 I HA -0.058 4.112 4.170 -0.000 0.000 0.245 151 I C 2.744 178.890 176.117 0.049 0.000 1.097 151 I CA 1.946 63.275 61.300 0.047 0.000 1.363 151 I CB -1.926 36.075 38.000 0.001 0.000 1.051 151 I HN 0.985 nan 8.210 nan 0.000 0.413 152 G N 0.573 109.392 108.800 0.032 0.000 2.418 152 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 152 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 152 G C 1.743 176.671 174.900 0.048 0.000 1.158 152 G CA 0.885 46.005 45.100 0.033 0.000 0.771 152 G HN 0.484 nan 8.290 nan 0.000 0.545 153 G N 0.510 109.341 108.800 0.050 0.000 2.408 153 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 153 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 153 G C 1.654 176.597 174.900 0.071 0.000 1.150 153 G CA 0.949 46.084 45.100 0.058 0.000 0.776 153 G HN 0.557 nan 8.290 nan 0.000 0.542 154 N N 0.036 118.783 118.700 0.078 0.000 2.120 154 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 154 N C 2.172 177.735 175.510 0.088 0.000 1.024 154 N CA 0.645 53.749 53.050 0.090 0.000 0.852 154 N CB -0.141 38.412 38.487 0.110 0.000 1.003 154 N HN 0.232 nan 8.380 nan 0.000 0.424 155 L N 0.349 121.625 121.223 0.088 0.000 2.027 155 L HA -0.083 4.256 4.340 -0.000 0.000 0.206 155 L C 2.329 179.251 176.870 0.086 0.000 1.074 155 L CA 0.841 55.734 54.840 0.089 0.000 0.745 155 L CB -0.380 41.731 42.059 0.086 0.000 0.898 155 L HN 0.115 nan 8.230 nan 0.000 0.433 156 S N -0.649 115.100 115.700 0.081 0.000 2.382 156 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 156 S C 1.942 176.585 174.600 0.073 0.000 1.027 156 S CA 1.921 60.170 58.200 0.082 0.000 0.991 156 S CB -0.360 62.883 63.200 0.073 0.000 0.823 156 S HN 0.660 nan 8.310 nan 0.000 0.469 157 T N -1.476 113.122 114.554 0.074 0.000 3.060 157 T HA 0.177 4.527 4.350 -0.000 0.000 0.249 157 T C 0.557 175.297 174.700 0.067 0.000 1.079 157 T CA 0.425 62.569 62.100 0.074 0.000 1.013 157 T CB -0.387 68.536 68.868 0.091 0.000 0.975 157 T HN 0.241 nan 8.240 nan 0.000 0.518 158 N N 1.372 120.112 118.700 0.066 0.000 2.727 158 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 158 N C -0.005 175.536 175.510 0.051 0.000 1.040 158 N CA 0.546 53.629 53.050 0.056 0.000 0.712 158 N CB -1.614 36.898 38.487 0.042 0.000 0.912 158 N HN 0.942 nan 8.380 nan 0.000 0.545 159 A N -0.071 122.788 122.820 0.064 0.000 2.507 159 A HA 0.571 4.891 4.320 -0.000 0.000 0.235 159 A C 1.135 178.739 177.584 0.033 0.000 1.070 159 A CA 0.771 52.845 52.037 0.063 0.000 0.768 159 A CB 0.305 19.352 19.000 0.080 0.000 1.011 159 A HN 0.970 nan 8.150 nan 0.000 0.502 160 G N -0.976 107.839 108.800 0.024 0.000 2.718 160 G HA2 0.694 4.654 3.960 -0.000 0.000 0.295 160 G HA3 0.694 4.654 3.960 -0.000 0.000 0.295 160 G C -0.369 174.516 174.900 -0.024 0.000 1.421 160 G CA 0.112 45.204 45.100 -0.013 0.000 0.902 160 G HN 1.432 nan 8.290 nan 0.000 0.501 161 G N -1.185 107.557 108.800 -0.097 0.000 3.135 161 G HA2 0.500 4.460 3.960 -0.000 0.000 0.278 161 G HA3 0.500 4.460 3.960 -0.000 0.000 0.278 161 G C 0.931 175.584 174.900 -0.413 0.000 1.302 161 G CA 0.667 45.670 45.100 -0.161 0.000 0.880 161 G HN 0.619 nan 8.290 nan 0.000 0.574 162 T N 1.132 115.463 114.554 -0.372 0.000 2.699 162 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 162 T C 2.443 177.052 174.700 -0.152 0.000 1.036 162 T CA 2.261 64.170 62.100 -0.318 0.000 1.147 162 T CB -0.382 68.504 68.868 0.030 0.000 0.862 162 T HN 0.731 nan 8.240 nan 0.000 0.446 163 A N 0.790 123.556 122.820 -0.090 0.000 2.235 163 A HA 0.535 4.855 4.320 -0.000 0.000 0.208 163 A C 2.456 180.024 177.584 -0.025 0.000 1.172 163 A CA 1.025 53.062 52.037 -0.001 0.000 0.786 163 A CB -0.734 18.330 19.000 0.107 0.000 0.804 163 A HN 0.474 nan 8.150 nan 0.000 0.479 164 A N 0.892 123.662 122.820 -0.082 0.000 1.986 164 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 164 A C 2.080 179.622 177.584 -0.070 0.000 1.171 164 A CA 1.590 53.585 52.037 -0.070 0.000 0.640 164 A CB -0.845 18.106 19.000 -0.081 0.000 0.811 164 A HN 1.122 nan 8.150 nan 0.000 0.451 165 L N -3.872 117.311 121.223 -0.068 0.000 2.265 165 L HA 0.061 4.401 4.340 -0.000 0.000 0.215 165 L C 2.095 178.886 176.870 -0.132 0.000 1.117 165 L CA 1.598 56.394 54.840 -0.072 0.000 0.782 165 L CB -0.407 41.630 42.059 -0.037 0.000 0.914 165 L HN 0.242 nan 8.230 nan 0.000 0.441 166 A N -1.097 121.588 122.820 -0.226 0.000 1.999 166 A HA 0.169 4.489 4.320 -0.000 0.000 0.200 166 A C 1.520 178.810 177.584 -0.489 0.000 1.363 166 A CA 0.152 51.934 52.037 -0.425 0.000 0.844 166 A CB -0.361 18.224 19.000 -0.691 0.000 0.954 166 A HN 0.424 nan 8.150 nan 0.000 0.481 167 Y N 0.153 120.334 120.300 -0.198 0.000 2.458 167 Y HA 0.425 4.975 4.550 -0.000 0.000 0.256 167 Y C 1.606 177.385 175.900 -0.202 0.000 1.159 167 Y CA -0.004 57.907 58.100 -0.314 0.000 1.261 167 Y CB -0.088 38.062 38.460 -0.516 0.000 1.119 167 Y HN 0.537 nan 8.280 nan 0.000 0.524 168 G N 0.524 109.314 108.800 -0.017 0.000 2.681 168 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 168 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 168 G C -0.687 174.202 174.900 -0.018 0.000 1.353 168 G CA -0.458 44.638 45.100 -0.006 0.000 0.872 168 G HN 0.144 nan 8.290 nan 0.000 0.557 169 L N -0.079 121.142 121.223 -0.003 0.000 2.376 169 L HA 0.663 5.003 4.340 -0.000 0.000 0.267 169 L C 2.353 179.232 176.870 0.014 0.000 1.035 169 L CA -0.380 54.457 54.840 -0.004 0.000 0.800 169 L CB 0.904 42.967 42.059 0.006 0.000 1.290 169 L HN 1.189 nan 8.230 nan 0.000 0.462 170 A N 0.220 123.055 122.820 0.025 0.000 1.971 170 A HA -0.251 4.069 4.320 -0.000 0.000 0.222 170 A C 2.284 179.920 177.584 0.085 0.000 1.182 170 A CA 2.264 54.340 52.037 0.065 0.000 0.649 170 A CB -0.768 18.279 19.000 0.080 0.000 0.818 170 A HN 0.859 nan 8.150 nan 0.000 0.458 171 R N -0.055 120.485 120.500 0.068 0.000 2.105 171 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 171 R C 0.110 176.458 176.300 0.080 0.000 1.135 171 R CA 1.433 57.576 56.100 0.071 0.000 0.967 171 R CB -0.250 30.081 30.300 0.052 0.000 0.861 171 R HN 0.585 nan 8.270 nan 0.000 0.442 175 L N 1.361 122.623 121.223 0.065 0.000 2.537 175 L HA 0.530 4.870 4.340 -0.000 0.000 0.224 175 L C 1.146 178.036 176.870 0.034 0.000 1.065 175 L CA 0.815 55.680 54.840 0.042 0.000 0.860 175 L CB 0.818 42.891 42.059 0.025 0.000 1.086 175 L HN 0.999 nan 8.230 nan 0.000 0.482 176 G N -0.227 108.593 108.800 0.032 0.000 2.547 176 G HA2 0.515 4.474 3.960 -0.000 0.000 0.291 176 G HA3 0.515 4.474 3.960 -0.000 0.000 0.291 176 G C -1.805 173.102 174.900 0.012 0.000 1.471 176 G CA -0.143 44.969 45.100 0.021 0.000 0.798 176 G HN -0.166 nan 8.290 nan 0.000 0.504 177 V N -2.384 117.527 119.914 -0.005 0.000 3.114 177 V HA 0.912 5.032 4.120 -0.000 0.000 0.308 177 V C -0.875 175.174 176.094 -0.074 0.000 1.168 177 V CA -1.089 61.190 62.300 -0.034 0.000 1.015 177 V CB 2.012 33.815 31.823 -0.034 0.000 1.050 177 V HN 0.982 nan 8.190 nan 0.000 0.433 178 E N 1.205 121.349 120.200 -0.092 0.000 2.191 178 E HA 0.733 5.082 4.350 -0.000 0.000 0.263 178 E C -1.828 174.676 176.600 -0.159 0.000 0.881 178 E CA -0.624 55.710 56.400 -0.110 0.000 0.757 178 E CB 2.197 31.852 29.700 -0.074 0.000 1.147 178 E HN 0.749 nan 8.360 nan 0.000 0.414 179 V N 4.193 123.969 119.914 -0.229 0.000 2.656 179 V HA 0.359 4.479 4.120 -0.000 0.000 0.307 179 V C -0.434 175.542 176.094 -0.197 0.000 1.051 179 V CA -0.927 61.197 62.300 -0.293 0.000 0.893 179 V CB 1.971 33.391 31.823 -0.671 0.000 0.999 179 V HN 0.512 nan 8.190 nan 0.000 0.426 180 V N 5.546 125.384 119.914 -0.126 0.000 2.394 180 V HA 0.432 4.552 4.120 -0.000 0.000 0.282 180 V C 0.185 176.254 176.094 -0.041 0.000 1.031 180 V CA -0.391 61.869 62.300 -0.067 0.000 0.881 180 V CB 1.368 33.170 31.823 -0.035 0.000 0.982 180 V HN 0.614 nan 8.190 nan 0.000 0.451 181 L N 3.345 124.559 121.223 -0.016 0.000 2.468 181 L HA 0.395 4.735 4.340 -0.000 0.000 0.254 181 L C 1.913 178.802 176.870 0.032 0.000 1.171 181 L CA -0.151 54.707 54.840 0.029 0.000 0.809 181 L CB 0.539 42.624 42.059 0.043 0.000 1.155 181 L HN 0.732 nan 8.230 nan 0.000 0.473 182 A N 0.899 123.743 122.820 0.041 0.000 1.948 182 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 182 A C 1.502 179.108 177.584 0.038 0.000 1.177 182 A CA 1.957 54.017 52.037 0.038 0.000 0.636 182 A CB -0.681 18.336 19.000 0.029 0.000 0.815 182 A HN 0.935 nan 8.150 nan 0.000 0.449 183 D N -2.595 117.818 120.400 0.021 0.000 2.340 183 D HA 0.302 4.942 4.640 -0.000 0.000 0.220 183 D C 1.143 177.459 176.300 0.027 0.000 1.039 183 D CA 0.951 54.965 54.000 0.023 0.000 0.866 183 D CB -0.477 40.323 40.800 0.001 0.000 0.913 183 D HN 0.793 nan 8.370 nan 0.000 0.523 184 G N 0.171 108.987 108.800 0.026 0.000 2.195 184 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.246 184 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.246 184 G C 0.335 175.240 174.900 0.008 0.000 0.984 184 G CA -0.141 44.971 45.100 0.020 0.000 0.633 184 G HN 0.450 nan 8.290 nan 0.000 0.525 185 R N 0.146 120.650 120.500 0.007 0.000 2.590 185 R HA 0.473 4.813 4.340 -0.000 0.000 0.274 185 R C 0.642 176.934 176.300 -0.014 0.000 1.061 185 R CA 0.088 56.188 56.100 -0.000 0.000 1.081 185 R CB 1.017 31.320 30.300 0.006 0.000 0.984 185 R HN 0.143 nan 8.270 nan 0.000 0.448 189 L N 3.072 124.273 121.223 -0.036 0.000 2.965 189 L HA 0.393 4.733 4.340 -0.000 0.000 0.254 189 L C 0.471 177.334 176.870 -0.012 0.000 1.220 189 L CA -0.232 54.599 54.840 -0.015 0.000 1.023 189 L CB 0.199 42.259 42.059 0.001 0.000 1.355 189 L HN 0.352 nan 8.230 nan 0.000 0.545 190 L N 0.352 121.563 121.223 -0.021 0.000 2.525 190 L HA 0.089 4.429 4.340 -0.000 0.000 0.278 190 L C 0.549 177.412 176.870 -0.012 0.000 1.218 190 L CA 0.783 55.613 54.840 -0.018 0.000 0.878 190 L CB 0.601 42.645 42.059 -0.024 0.000 1.127 190 L HN 0.187 nan 8.230 nan 0.000 0.492 191 S N 1.780 117.475 115.700 -0.008 0.000 2.565 191 S HA 0.343 4.813 4.470 -0.000 0.000 0.274 191 S C -0.330 174.266 174.600 -0.006 0.000 1.144 191 S CA -0.832 57.364 58.200 -0.006 0.000 0.849 191 S CB 1.584 64.784 63.200 -0.000 0.000 1.103 191 S HN 0.669 nan 8.310 nan 0.000 0.455 192 K N 1.902 122.296 120.400 -0.009 0.000 2.387 192 K HA 0.363 4.683 4.320 -0.000 0.000 0.203 192 K C -0.275 176.317 176.600 -0.012 0.000 1.030 192 K CA -0.049 56.230 56.287 -0.013 0.000 1.099 192 K CB 0.176 32.665 32.500 -0.017 0.000 0.863 192 K HN 0.491 nan 8.250 nan 0.000 0.529 193 L N 1.756 122.975 121.223 -0.007 0.000 2.380 193 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 193 L C 1.209 178.077 176.870 -0.004 0.000 1.138 193 L CA -0.222 54.615 54.840 -0.006 0.000 0.832 193 L CB 0.574 42.632 42.059 -0.002 0.000 1.124 193 L HN -0.058 nan 8.230 nan 0.000 0.454 194 K N 1.922 122.318 120.400 -0.007 0.000 2.379 194 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 194 K C -0.049 176.553 176.600 0.003 0.000 1.031 194 K CA 0.512 56.795 56.287 -0.006 0.000 1.037 194 K CB 0.406 32.896 32.500 -0.016 0.000 0.824 194 K HN 0.486 nan 8.250 nan 0.000 0.516 195 K N 1.331 121.733 120.400 0.003 0.000 2.578 195 K HA 0.168 4.488 4.320 -0.000 0.000 0.250 195 K C -1.709 174.894 176.600 0.006 0.000 0.955 195 K CA -0.428 55.863 56.287 0.006 0.000 0.825 195 K CB 1.682 34.184 32.500 0.004 0.000 1.151 195 K HN -0.196 nan 8.250 nan 0.000 0.432 196 D N 2.523 122.929 120.400 0.010 0.000 2.312 196 D HA 0.138 4.778 4.640 -0.000 0.000 0.229 196 D C -1.315 174.993 176.300 0.013 0.000 1.337 196 D CA -0.452 53.553 54.000 0.009 0.000 0.964 196 D CB 0.705 41.510 40.800 0.009 0.000 1.456 196 D HN 0.281 nan 8.370 nan 0.000 0.547 197 N N 2.231 120.937 118.700 0.010 0.000 3.194 197 N HA 0.218 4.958 4.740 -0.000 0.000 0.271 197 N C -0.740 174.771 175.510 0.002 0.000 1.308 197 N CA -0.120 52.938 53.050 0.013 0.000 1.042 197 N CB 1.095 39.590 38.487 0.015 0.000 1.310 197 N HN 0.340 nan 8.380 nan 0.000 0.502 198 T N -1.572 112.981 114.554 -0.003 0.000 3.241 198 T HA 0.678 5.028 4.350 -0.000 0.000 0.387 198 T C 0.628 175.302 174.700 -0.044 0.000 1.451 198 T CA -0.472 61.614 62.100 -0.023 0.000 1.363 198 T CB 0.743 69.599 68.868 -0.020 0.000 1.074 198 T HN 0.456 nan 8.240 nan 0.000 0.598 199 G N 1.858 110.612 108.800 -0.076 0.000 2.627 199 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.214 199 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.214 199 G C -0.988 173.885 174.900 -0.044 0.000 1.331 199 G CA -1.024 43.968 45.100 -0.180 0.000 0.891 199 G HN 0.643 nan 8.290 nan 0.000 0.539 200 Y N 0.646 120.955 120.300 0.015 0.000 2.379 200 Y HA 0.452 5.002 4.550 -0.000 0.000 0.337 200 Y C 1.025 176.940 175.900 0.025 0.000 1.238 200 Y CA -0.659 57.451 58.100 0.016 0.000 1.405 200 Y CB 0.658 39.125 38.460 0.012 0.000 1.310 200 Y HN 0.525 nan 8.280 nan 0.000 0.569 201 D N 2.631 123.153 120.400 0.202 0.000 2.402 201 D HA 0.110 4.750 4.640 -0.000 0.000 0.235 201 D C 0.325 176.700 176.300 0.125 0.000 1.226 201 D CA 0.322 54.398 54.000 0.127 0.000 0.918 201 D CB 0.142 40.994 40.800 0.086 0.000 1.043 201 D HN 0.592 nan 8.370 nan 0.000 0.506 202 L N 3.204 124.518 121.223 0.153 0.000 2.375 202 L HA 0.115 4.455 4.340 -0.000 0.000 0.215 202 L C 2.474 179.503 176.870 0.264 0.000 1.108 202 L CA -0.122 54.833 54.840 0.191 0.000 0.830 202 L CB -0.151 42.056 42.059 0.247 0.000 0.959 202 L HN 0.339 nan 8.230 nan 0.000 0.457 203 R N 0.996 121.618 120.500 0.203 0.000 2.115 203 R HA -0.231 4.109 4.340 -0.000 0.000 0.239 203 R C 1.628 178.056 176.300 0.214 0.000 1.133 203 R CA 2.309 58.532 56.100 0.204 0.000 0.935 203 R CB -0.225 30.146 30.300 0.119 0.000 0.853 203 R HN 0.298 nan 8.270 nan 0.000 0.433 204 D N 0.361 120.836 120.400 0.126 0.000 2.351 204 D HA -0.130 4.510 4.640 -0.000 0.000 0.216 204 D C 1.718 178.037 176.300 0.031 0.000 0.968 204 D CA 0.542 54.590 54.000 0.079 0.000 0.899 204 D CB 0.057 40.886 40.800 0.048 0.000 0.907 204 D HN 0.204 nan 8.370 nan 0.000 0.514 205 L N -0.474 120.739 121.223 -0.017 0.000 2.156 205 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 205 L C 1.599 178.283 176.870 -0.310 0.000 1.095 205 L CA 1.339 56.049 54.840 -0.216 0.000 0.770 205 L CB -0.340 41.497 42.059 -0.370 0.000 0.914 205 L HN -0.112 nan 8.230 nan 0.000 0.439 206 F N -1.051 118.909 119.950 0.017 0.000 2.619 206 F HA 0.182 4.709 4.527 -0.000 0.000 0.293 206 F C 1.132 176.944 175.800 0.021 0.000 1.119 206 F CA -0.185 57.825 58.000 0.017 0.000 1.445 206 F CB -0.229 38.782 39.000 0.018 0.000 1.119 206 F HN -0.213 nan 8.300 nan 0.000 0.573 207 I N 0.777 121.454 120.570 0.179 0.000 2.436 207 I HA 0.253 4.423 4.170 -0.000 0.000 0.289 207 I C 1.247 177.405 176.117 0.069 0.000 1.083 207 I CA 0.435 61.805 61.300 0.117 0.000 1.372 207 I CB 0.028 38.089 38.000 0.102 0.000 1.408 207 I HN 0.419 nan 8.210 nan 0.000 0.516 208 G N 4.582 113.421 108.800 0.065 0.000 2.194 208 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.236 208 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.236 208 G C 1.018 175.936 174.900 0.031 0.000 0.987 208 G CA 0.187 45.312 45.100 0.041 0.000 0.635 208 G HN 0.749 nan 8.290 nan 0.000 0.520 209 A N 0.595 123.438 122.820 0.040 0.000 2.209 209 A HA 0.431 4.751 4.320 -0.000 0.000 0.212 209 A C 1.309 178.917 177.584 0.040 0.000 1.158 209 A CA 1.782 53.833 52.037 0.023 0.000 0.742 209 A CB -0.510 18.503 19.000 0.022 0.000 0.790 209 A HN 1.355 nan 8.150 nan 0.000 0.472 210 E N -2.499 117.733 120.200 0.053 0.000 2.440 210 E HA -0.256 4.094 4.350 -0.000 0.000 0.246 210 E C 0.818 177.447 176.600 0.049 0.000 1.165 210 E CA 0.369 56.799 56.400 0.050 0.000 0.726 210 E CB -2.247 27.476 29.700 0.039 0.000 1.271 210 E HN 1.501 nan 8.360 nan 0.000 0.397 211 G N -0.429 108.411 108.800 0.066 0.000 2.155 211 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.257 211 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.257 211 G C 0.791 175.728 174.900 0.060 0.000 0.983 211 G CA 1.291 46.430 45.100 0.065 0.000 0.676 211 G HN 0.729 nan 8.290 nan 0.000 0.528 212 T N -2.177 112.410 114.554 0.055 0.000 3.081 212 T HA 0.427 4.777 4.350 -0.000 0.000 0.255 212 T C 2.002 176.731 174.700 0.047 0.000 1.113 212 T CA 1.013 63.135 62.100 0.037 0.000 1.082 212 T CB 0.076 68.952 68.868 0.013 0.000 0.939 212 T HN 0.385 nan 8.240 nan 0.000 0.506 213 L N 0.069 121.346 121.223 0.091 0.000 2.731 213 L HA 0.572 4.912 4.340 -0.000 0.000 0.240 213 L C 1.196 178.233 176.870 0.278 0.000 1.120 213 L CA -0.148 54.770 54.840 0.129 0.000 0.913 213 L CB 0.401 42.454 42.059 -0.010 0.000 1.213 213 L HN 0.579 nan 8.230 nan 0.000 0.515 214 G N 0.423 109.355 108.800 0.219 0.000 2.337 214 G HA2 0.234 4.194 3.960 -0.000 0.000 0.298 214 G HA3 0.234 4.194 3.960 -0.000 0.000 0.298 214 G C -1.671 173.275 174.900 0.077 0.000 1.335 214 G CA -0.836 44.347 45.100 0.140 0.000 0.875 214 G HN -0.101 nan 8.290 nan 0.000 0.579 215 I N 0.980 121.556 120.570 0.010 0.000 2.339 215 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 215 I C 0.220 176.308 176.117 -0.049 0.000 0.994 215 I CA -0.688 60.608 61.300 -0.006 0.000 1.191 215 I CB 1.582 39.577 38.000 -0.008 0.000 1.343 215 I HN 0.280 nan 8.210 nan 0.000 0.458 216 I N 5.702 126.251 120.570 -0.036 0.000 2.471 216 I HA 0.050 4.220 4.170 -0.000 0.000 0.286 216 I C 1.386 177.477 176.117 -0.042 0.000 1.079 216 I CA 0.194 61.459 61.300 -0.058 0.000 1.398 216 I CB 1.126 39.112 38.000 -0.023 0.000 1.403 216 I HN 0.717 nan 8.210 nan 0.000 0.530 217 T N 1.845 116.366 114.554 -0.055 0.000 2.990 217 T HA 0.540 4.890 4.350 -0.000 0.000 0.249 217 T C 0.395 175.070 174.700 -0.041 0.000 1.039 217 T CA 0.108 62.182 62.100 -0.043 0.000 1.036 217 T CB 0.548 69.389 68.868 -0.045 0.000 0.994 217 T HN 0.678 nan 8.240 nan 0.000 0.489 218 A N 0.068 122.861 122.820 -0.045 0.000 2.601 218 A HA 0.900 5.220 4.320 -0.000 0.000 0.291 218 A C -1.454 176.107 177.584 -0.038 0.000 1.075 218 A CA -0.577 51.435 52.037 -0.041 0.000 0.671 218 A CB 0.958 19.932 19.000 -0.043 0.000 1.277 218 A HN 1.188 nan 8.150 nan 0.000 0.417 219 A N -0.273 122.526 122.820 -0.034 0.000 2.612 219 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 219 A C -0.688 176.880 177.584 -0.027 0.000 1.075 219 A CA -0.223 51.801 52.037 -0.022 0.000 0.680 219 A CB 1.183 20.182 19.000 -0.002 0.000 1.279 219 A HN 1.241 nan 8.150 nan 0.000 0.411 220 T N 1.736 116.283 114.554 -0.011 0.000 2.779 220 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 220 T C -0.451 174.259 174.700 0.016 0.000 0.987 220 T CA -0.089 62.003 62.100 -0.013 0.000 0.966 220 T CB 0.327 69.189 68.868 -0.011 0.000 0.933 220 T HN 0.475 nan 8.240 nan 0.000 0.442 221 L N 2.211 123.441 121.223 0.012 0.000 2.323 221 L HA 0.595 4.935 4.340 -0.000 0.000 0.265 221 L C 0.184 177.123 176.870 0.114 0.000 1.012 221 L CA -1.358 53.544 54.840 0.104 0.000 0.820 221 L CB 1.681 43.798 42.059 0.098 0.000 1.334 221 L HN 0.354 nan 8.230 nan 0.000 0.427 222 K N 1.581 122.099 120.400 0.196 0.000 2.218 222 K HA 0.537 4.857 4.320 -0.000 0.000 0.276 222 K C -0.986 175.699 176.600 0.142 0.000 1.022 222 K CA -0.341 55.974 56.287 0.047 0.000 0.946 222 K CB 1.033 33.464 32.500 -0.115 0.000 1.000 222 K HN 0.350 nan 8.250 nan 0.000 0.468 223 L N 3.012 124.215 121.223 -0.035 0.000 2.334 223 L HA 0.513 4.853 4.340 -0.000 0.000 0.275 223 L C -0.613 176.154 176.870 -0.171 0.000 1.036 223 L CA -0.804 54.079 54.840 0.072 0.000 0.807 223 L CB 0.665 42.752 42.059 0.047 0.000 1.231 223 L HN 0.459 nan 8.230 nan 0.000 0.438 224 F N 0.808 120.782 119.950 0.041 0.000 2.598 224 F HA 0.543 5.070 4.527 -0.000 0.000 0.327 224 F C -2.108 173.706 175.800 0.024 0.000 1.057 224 F CA -2.377 55.638 58.000 0.026 0.000 0.957 224 F CB 1.123 40.111 39.000 -0.019 0.000 1.278 224 F HN 0.207 nan 8.300 nan 0.000 0.484 225 P HA 0.060 nan 4.420 nan 0.000 0.269 225 P C -1.176 176.206 177.300 0.135 0.000 1.209 225 P CA -0.439 62.749 63.100 0.147 0.000 0.776 225 P CB 0.533 32.316 31.700 0.138 0.000 0.876 226 K N 4.241 124.694 120.400 0.088 0.000 2.276 226 K HA 0.264 4.584 4.320 -0.000 0.000 0.285 226 K C -2.046 174.594 176.600 0.066 0.000 1.062 226 K CA -1.957 54.368 56.287 0.064 0.000 0.918 226 K CB 0.020 32.547 32.500 0.046 0.000 1.055 226 K HN 0.346 nan 8.250 nan 0.000 0.477 227 P HA 0.080 nan 4.420 nan 0.000 0.271 227 P C -0.386 176.945 177.300 0.052 0.000 1.216 227 P CA -0.220 62.922 63.100 0.071 0.000 0.776 227 P CB 1.361 33.110 31.700 0.082 0.000 0.881 228 R N 2.088 122.617 120.500 0.049 0.000 2.112 228 R HA 0.270 4.610 4.340 -0.000 0.000 0.216 228 R C 0.466 176.788 176.300 0.037 0.000 1.080 228 R CA 0.977 57.101 56.100 0.039 0.000 0.996 228 R CB -0.251 30.070 30.300 0.036 0.000 0.902 228 R HN 0.648 nan 8.270 nan 0.000 0.449 229 A N -0.300 122.545 122.820 0.043 0.000 2.371 229 A HA 0.667 4.987 4.320 -0.000 0.000 0.311 229 A C -1.464 176.152 177.584 0.052 0.000 1.068 229 A CA -0.644 51.419 52.037 0.043 0.000 0.744 229 A CB 2.030 21.054 19.000 0.040 0.000 1.239 229 A HN -0.017 nan 8.150 nan 0.000 0.435 230 V N 2.978 122.925 119.914 0.055 0.000 2.525 230 V HA 0.486 4.606 4.120 -0.000 0.000 0.299 230 V C -0.858 175.284 176.094 0.079 0.000 1.034 230 V CA -0.583 61.761 62.300 0.073 0.000 0.863 230 V CB 1.609 33.477 31.823 0.075 0.000 0.999 230 V HN 0.921 nan 8.190 nan 0.000 0.423 231 E N 2.389 122.642 120.200 0.088 0.000 2.238 231 E HA 0.722 5.072 4.350 -0.000 0.000 0.267 231 E C -0.811 175.855 176.600 0.110 0.000 0.887 231 E CA -0.477 55.973 56.400 0.084 0.000 0.769 231 E CB 2.623 32.363 29.700 0.067 0.000 1.187 231 E HN 0.665 nan 8.360 nan 0.000 0.416 232 T N 0.373 114.992 114.554 0.108 0.000 2.900 232 T HA 0.796 5.146 4.350 -0.000 0.000 0.295 232 T C -0.847 173.954 174.700 0.168 0.000 1.044 232 T CA -0.795 61.385 62.100 0.134 0.000 0.995 232 T CB 1.899 70.874 68.868 0.179 0.000 1.072 232 T HN 0.511 nan 8.240 nan 0.000 0.473 233 A N 1.681 124.580 122.820 0.130 0.000 2.515 233 A HA 0.835 5.155 4.320 -0.000 0.000 0.298 233 A C -1.900 175.661 177.584 -0.039 0.000 1.059 233 A CA -0.660 51.480 52.037 0.172 0.000 0.698 233 A CB 1.325 20.369 19.000 0.075 0.000 1.289 233 A HN 0.681 nan 8.150 nan 0.000 0.404 234 F N 1.599 121.458 119.950 -0.151 0.000 2.444 234 F HA 0.611 5.138 4.527 -0.000 0.000 0.342 234 F C -0.257 175.420 175.800 -0.204 0.000 1.121 234 F CA -0.448 57.314 58.000 -0.398 0.000 0.997 234 F CB 2.085 40.575 39.000 -0.851 0.000 1.130 234 F HN 0.366 nan 8.300 nan 0.000 0.454 235 V N 3.590 123.539 119.914 0.059 0.000 2.680 235 V HA 0.732 4.852 4.120 -0.000 0.000 0.309 235 V C 0.103 176.165 176.094 -0.054 0.000 1.052 235 V CA -0.935 61.336 62.300 -0.050 0.000 0.908 235 V CB 1.747 33.471 31.823 -0.164 0.000 1.001 235 V HN 0.865 nan 8.190 nan 0.000 0.431 236 G N 3.624 112.227 108.800 -0.329 0.000 2.343 236 G HA2 0.718 4.678 3.960 -0.000 0.000 0.319 236 G HA3 0.718 4.678 3.960 -0.000 0.000 0.319 236 G C -1.301 173.208 174.900 -0.652 0.000 1.126 236 G CA -0.264 44.382 45.100 -0.757 0.000 0.889 236 G HN 0.452 nan 8.290 nan 0.000 0.457 237 L N 0.696 121.683 121.223 -0.394 0.000 2.403 237 L HA 0.492 4.832 4.340 -0.000 0.000 0.253 237 L C 0.917 177.792 176.870 0.008 0.000 1.045 237 L CA -0.850 53.888 54.840 -0.170 0.000 0.845 237 L CB 1.686 43.691 42.059 -0.090 0.000 1.447 237 L HN 0.316 nan 8.230 nan 0.000 0.411 238 Q N 0.023 119.852 119.800 0.049 0.000 2.376 238 Q HA 0.240 4.580 4.340 -0.000 0.000 0.206 238 Q C 0.058 176.163 176.000 0.175 0.000 0.921 238 Q CA 0.586 56.465 55.803 0.126 0.000 0.911 238 Q CB 0.796 29.581 28.738 0.078 0.000 1.032 238 Q HN 0.781 nan 8.270 nan 0.000 0.510 239 S N -1.937 113.777 115.700 0.024 0.000 2.588 239 S HA 0.407 4.877 4.470 -0.000 0.000 0.269 239 S C -2.615 171.721 174.600 -0.440 0.000 1.157 239 S CA -1.132 56.937 58.200 -0.218 0.000 0.824 239 S CB 1.962 65.083 63.200 -0.131 0.000 1.126 239 S HN -0.301 nan 8.310 nan 0.000 0.464 240 P HA -0.007 nan 4.420 nan 0.000 0.217 240 P C 0.756 177.890 177.300 -0.276 0.000 1.150 240 P CA 1.081 63.827 63.100 -0.590 0.000 0.832 240 P CB -0.036 31.240 31.700 -0.707 0.000 0.787 241 D N -0.495 119.774 120.400 -0.218 0.000 2.149 241 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 241 D C 1.374 177.614 176.300 -0.100 0.000 0.990 241 D CA 1.222 55.144 54.000 -0.130 0.000 0.839 241 D CB -0.500 40.241 40.800 -0.100 0.000 0.948 241 D HN 0.158 nan 8.370 nan 0.000 0.460 242 D N 0.232 120.571 120.400 -0.101 0.000 2.144 242 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 242 D C 2.030 178.305 176.300 -0.040 0.000 0.978 242 D CA 1.041 55.001 54.000 -0.066 0.000 0.833 242 D CB -0.294 40.469 40.800 -0.061 0.000 0.961 242 D HN 0.117 nan 8.370 nan 0.000 0.470 243 A N 0.590 123.387 122.820 -0.039 0.000 1.933 243 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 243 A C 2.132 179.758 177.584 0.070 0.000 1.175 243 A CA 0.960 53.039 52.037 0.070 0.000 0.628 243 A CB -0.684 18.361 19.000 0.076 0.000 0.814 243 A HN 0.247 nan 8.150 nan 0.000 0.444 244 L N -0.244 120.957 121.223 -0.037 0.000 2.046 244 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 244 L C 2.210 179.021 176.870 -0.098 0.000 1.077 244 L CA 2.175 56.959 54.840 -0.092 0.000 0.747 244 L CB -0.415 41.587 42.059 -0.095 0.000 0.896 244 L HN 0.330 nan 8.230 nan 0.000 0.432 245 K N -1.048 119.314 120.400 -0.063 0.000 2.097 245 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 245 K C 1.972 178.548 176.600 -0.041 0.000 1.049 245 K CA 1.406 57.660 56.287 -0.054 0.000 0.933 245 K CB -0.332 32.144 32.500 -0.041 0.000 0.717 245 K HN 0.215 nan 8.250 nan 0.000 0.442 246 L N 1.128 122.352 121.223 0.002 0.000 2.093 246 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 246 L C 1.980 178.870 176.870 0.033 0.000 1.085 246 L CA 1.197 56.081 54.840 0.074 0.000 0.755 246 L CB -0.455 41.708 42.059 0.173 0.000 0.904 246 L HN 0.088 nan 8.230 nan 0.000 0.435 247 L N -0.179 120.916 121.223 -0.214 0.000 2.042 247 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 247 L C 2.306 178.966 176.870 -0.350 0.000 1.076 247 L CA 2.176 56.566 54.840 -0.750 0.000 0.749 247 L CB -1.489 40.026 42.059 -0.907 0.000 0.893 247 L HN 0.288 nan 8.230 nan 0.000 0.432 248 G N -0.306 108.373 108.800 -0.203 0.000 2.440 248 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 248 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 248 G C 1.627 176.478 174.900 -0.081 0.000 1.154 248 G CA 1.231 46.255 45.100 -0.127 0.000 0.767 248 G HN 0.502 nan 8.290 nan 0.000 0.552 249 I N 1.264 121.804 120.570 -0.051 0.000 2.202 249 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 249 I C 3.281 179.400 176.117 0.002 0.000 1.091 249 I CA 0.928 62.221 61.300 -0.012 0.000 1.368 249 I CB -0.213 37.794 38.000 0.012 0.000 1.058 249 I HN 0.230 nan 8.210 nan 0.000 0.410 250 A N 0.190 123.021 122.820 0.018 0.000 1.902 250 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 250 A C 2.266 179.851 177.584 0.003 0.000 1.181 250 A CA 1.610 53.682 52.037 0.058 0.000 0.623 250 A CB -0.611 18.504 19.000 0.192 0.000 0.818 250 A HN 0.465 nan 8.150 nan 0.000 0.443 251 Q N -0.949 118.815 119.800 -0.059 0.000 2.050 251 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 251 Q C 2.216 178.193 176.000 -0.038 0.000 0.980 251 Q CA 1.283 57.047 55.803 -0.065 0.000 0.840 251 Q CB -0.455 28.222 28.738 -0.102 0.000 0.898 251 Q HN 0.682 nan 8.270 nan 0.000 0.424 252 G N 0.287 109.067 108.800 -0.033 0.000 2.443 252 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 252 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 252 G C 1.239 176.135 174.900 -0.007 0.000 1.131 252 G CA 0.845 45.933 45.100 -0.021 0.000 0.775 252 G HN 0.239 nan 8.290 nan 0.000 0.547 253 E N -0.615 119.586 120.200 0.002 0.000 2.415 253 E HA 0.420 4.770 4.350 -0.000 0.000 0.197 253 E C 2.130 178.739 176.600 0.015 0.000 1.007 253 E CA 0.797 57.204 56.400 0.013 0.000 0.890 253 E CB 0.221 29.935 29.700 0.024 0.000 0.891 253 E HN 0.263 nan 8.360 nan 0.000 0.496 254 A N -0.232 122.595 122.820 0.011 0.000 2.066 254 A HA 0.699 5.019 4.320 -0.000 0.000 0.198 254 A C 1.323 178.904 177.584 -0.006 0.000 1.405 254 A CA 0.767 52.811 52.037 0.011 0.000 0.973 254 A CB -0.107 18.908 19.000 0.026 0.000 1.026 254 A HN 0.325 nan 8.150 nan 0.000 0.474 255 A N -1.085 121.724 122.820 -0.018 0.000 5.479 255 A HA -0.153 4.167 4.320 -0.000 0.000 0.301 255 A C 2.115 179.667 177.584 -0.054 0.000 1.961 255 A CA 1.700 53.717 52.037 -0.033 0.000 0.716 255 A CB -1.991 16.995 19.000 -0.023 0.000 1.266 255 A HN 1.814 nan 8.150 nan 0.000 0.372 256 G N -0.962 107.802 108.800 -0.061 0.000 2.527 256 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.219 256 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.219 256 G C 0.811 175.629 174.900 -0.136 0.000 1.117 256 G CA 1.520 46.555 45.100 -0.109 0.000 0.759 256 G HN 0.743 nan 8.290 nan 0.000 0.556 257 N N -0.372 118.288 118.700 -0.067 0.000 2.467 257 N HA 0.032 4.772 4.740 -0.000 0.000 0.184 257 N C 0.542 176.034 175.510 -0.030 0.000 1.106 257 N CA -0.084 52.942 53.050 -0.040 0.000 0.892 257 N CB 0.053 38.541 38.487 0.003 0.000 0.969 257 N HN 0.276 nan 8.380 nan 0.000 0.454 258 L N 1.928 123.129 121.223 -0.037 0.000 2.385 258 L HA 0.139 4.479 4.340 -0.000 0.000 0.285 258 L C 1.215 178.073 176.870 -0.021 0.000 1.125 258 L CA 0.287 55.134 54.840 0.012 0.000 0.890 258 L CB -0.122 41.956 42.059 0.032 0.000 1.251 258 L HN 0.076 nan 8.230 nan 0.000 0.445 259 T N -1.023 113.539 114.554 0.013 0.000 3.065 259 T HA 0.269 4.619 4.350 -0.000 0.000 0.252 259 T C 0.603 175.362 174.700 0.098 0.000 1.099 259 T CA 0.195 62.297 62.100 0.004 0.000 1.063 259 T CB -0.059 68.845 68.868 0.060 0.000 0.948 259 T HN 0.485 nan 8.240 nan 0.000 0.506 260 S N 0.082 115.884 115.700 0.171 0.000 2.543 260 S HA 0.613 5.083 4.470 -0.000 0.000 0.273 260 S C -2.004 172.749 174.600 0.255 0.000 1.152 260 S CA -0.781 57.569 58.200 0.251 0.000 0.910 260 S CB 1.679 65.131 63.200 0.421 0.000 1.105 260 S HN 0.314 nan 8.310 nan 0.000 0.465 261 F N 2.595 122.609 119.950 0.106 0.000 2.971 261 F HA 0.339 4.866 4.527 -0.000 0.000 0.373 261 F C -0.455 175.398 175.800 0.087 0.000 1.288 261 F CA -0.266 57.768 58.000 0.056 0.000 1.204 261 F CB 0.602 39.621 39.000 0.032 0.000 1.852 261 F HN 0.415 nan 8.300 nan 0.000 0.624 262 E N 3.254 123.493 120.200 0.065 0.000 2.331 262 E HA 0.280 4.630 4.350 -0.000 0.000 0.272 262 E C -1.041 175.604 176.600 0.074 0.000 1.036 262 E CA -0.688 55.788 56.400 0.126 0.000 0.864 262 E CB 2.447 32.188 29.700 0.068 0.000 1.035 262 E HN 0.457 nan 8.360 nan 0.000 0.408 263 L N 4.223 125.569 121.223 0.205 0.000 2.287 263 L HA 0.449 4.789 4.340 -0.000 0.000 0.287 263 L C -0.992 176.095 176.870 0.361 0.000 1.022 263 L CA -0.230 54.769 54.840 0.266 0.000 0.814 263 L CB 0.635 42.855 42.059 0.267 0.000 1.217 263 L HN 0.412 nan 8.230 nan 0.000 0.420 264 I N 5.188 125.994 120.570 0.394 0.000 2.447 264 I HA 0.599 4.769 4.170 -0.000 0.000 0.287 264 I C 0.196 176.496 176.117 0.304 0.000 1.023 264 I CA -0.768 60.737 61.300 0.341 0.000 1.083 264 I CB 1.864 39.977 38.000 0.189 0.000 1.245 264 I HN 0.766 nan 8.210 nan 0.000 0.434 265 A N 4.441 127.269 122.820 0.013 0.000 2.313 265 A HA 0.202 4.522 4.320 -0.000 0.000 0.261 265 A C 1.239 178.623 177.584 -0.333 0.000 1.090 265 A CA -0.120 51.503 52.037 -0.689 0.000 0.807 265 A CB 0.504 18.965 19.000 -0.897 0.000 1.055 265 A HN 0.913 nan 8.150 nan 0.000 0.492 266 E N 0.182 120.138 120.200 -0.406 0.000 2.077 266 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 266 E C 1.636 178.083 176.600 -0.255 0.000 0.989 266 E CA 1.935 58.248 56.400 -0.146 0.000 0.800 266 E CB -0.180 29.426 29.700 -0.157 0.000 0.746 266 E HN 0.805 nan 8.360 nan 0.000 0.452 267 T N 1.534 115.859 114.554 -0.381 0.000 2.635 267 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 267 T C -1.092 173.103 174.700 -0.841 0.000 1.040 267 T CA 1.869 63.620 62.100 -0.581 0.000 1.156 267 T CB -1.133 67.372 68.868 -0.606 0.000 0.863 267 T HN 0.322 nan 8.240 nan 0.000 0.430 268 P HA 0.011 nan 4.420 nan 0.000 0.217 268 P C 1.854 178.956 177.300 -0.330 0.000 1.150 268 P CA 0.793 63.582 63.100 -0.519 0.000 0.832 268 P CB -0.237 31.201 31.700 -0.437 0.000 0.787 269 L N 0.255 121.304 121.223 -0.289 0.000 2.046 269 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 269 L C 2.267 179.018 176.870 -0.197 0.000 1.077 269 L CA 2.126 56.802 54.840 -0.272 0.000 0.747 269 L CB -0.981 40.826 42.059 -0.419 0.000 0.896 269 L HN -0.120 nan 8.230 nan 0.000 0.432 270 D N -0.724 119.578 120.400 -0.163 0.000 2.123 270 D HA -0.249 4.391 4.640 -0.000 0.000 0.196 270 D C 1.985 178.361 176.300 0.127 0.000 0.992 270 D CA 1.552 55.525 54.000 -0.046 0.000 0.833 270 D CB -0.101 40.683 40.800 -0.026 0.000 0.954 270 D HN 0.314 nan 8.370 nan 0.000 0.455 271 F N 0.564 120.469 119.950 -0.075 0.000 2.134 271 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 271 F C 2.895 178.695 175.800 -0.001 0.000 1.097 271 F CA 0.902 58.916 58.000 0.024 0.000 1.264 271 F CB -1.349 37.659 39.000 0.013 0.000 1.001 271 F HN 0.005 nan 8.300 nan 0.000 0.479 272 S N -0.264 115.508 115.700 0.120 0.000 2.383 272 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 272 S C 2.261 176.853 174.600 -0.013 0.000 1.026 272 S CA 1.046 59.262 58.200 0.026 0.000 0.981 272 S CB -0.382 62.787 63.200 -0.052 0.000 0.818 272 S HN 0.067 nan 8.310 nan 0.000 0.472 273 V N 1.984 121.865 119.914 -0.055 0.000 2.270 273 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 273 V C 2.597 178.630 176.094 -0.101 0.000 1.043 273 V CA 1.797 64.044 62.300 -0.089 0.000 1.014 273 V CB -0.586 31.164 31.823 -0.122 0.000 0.645 273 V HN 0.421 nan 8.190 nan 0.000 0.447 274 R N -0.985 119.425 120.500 -0.149 0.000 2.115 274 R HA -0.057 4.283 4.340 -0.000 0.000 0.226 274 R C 2.054 178.108 176.300 -0.409 0.000 1.100 274 R CA 1.151 57.065 56.100 -0.310 0.000 0.980 274 R CB -0.206 29.831 30.300 -0.439 0.000 0.875 274 R HN 0.634 nan 8.270 nan 0.000 0.445 275 H N -1.661 117.384 119.070 -0.041 0.000 2.750 275 H HA 0.280 4.836 4.556 -0.000 0.000 0.263 275 H C 0.928 176.234 175.328 -0.035 0.000 0.964 275 H CA 0.585 56.600 56.048 -0.055 0.000 1.205 275 H CB 0.938 30.644 29.762 -0.093 0.000 1.454 275 H HN 0.152 nan 8.280 nan 0.000 0.503 276 A N 0.889 123.750 122.820 0.068 0.000 2.503 276 A HA 0.085 4.405 4.320 -0.000 0.000 0.263 276 A C 0.476 178.070 177.584 0.017 0.000 1.258 276 A CA -0.148 51.914 52.037 0.042 0.000 0.936 276 A CB 0.037 19.062 19.000 0.042 0.000 1.070 276 A HN 0.288 nan 8.150 nan 0.000 0.522 277 N N 1.123 119.821 118.700 -0.004 0.000 2.648 277 N HA -0.138 4.602 4.740 -0.000 0.000 0.265 277 N C -1.462 174.042 175.510 -0.010 0.000 1.100 277 N CA 0.664 53.706 53.050 -0.013 0.000 0.715 277 N CB -1.444 37.041 38.487 -0.004 0.000 0.881 277 N HN 0.553 nan 8.380 nan 0.000 0.548 278 N N 0.925 119.610 118.700 -0.025 0.000 2.238 278 N HA 0.268 5.008 4.740 -0.000 0.000 0.302 278 N C -0.300 175.177 175.510 -0.054 0.000 1.072 278 N CA -0.582 52.453 53.050 -0.025 0.000 0.792 278 N CB 1.590 40.062 38.487 -0.025 0.000 1.425 278 N HN 0.316 nan 8.380 nan 0.000 0.478 279 R N 0.963 121.439 120.500 -0.041 0.000 2.347 279 R HA 0.018 4.358 4.340 -0.000 0.000 0.304 279 R C -0.497 175.721 176.300 -0.137 0.000 1.072 279 R CA -0.310 55.755 56.100 -0.058 0.000 0.980 279 R CB 0.340 30.634 30.300 -0.009 0.000 0.986 279 R HN 0.416 nan 8.270 nan 0.000 0.448 280 D N 6.293 126.598 120.400 -0.158 0.000 2.363 280 D HA 0.016 4.656 4.640 -0.000 0.000 0.263 280 D C -1.365 174.781 176.300 -0.257 0.000 1.258 280 D CA -1.822 52.032 54.000 -0.245 0.000 0.907 280 D CB 1.404 42.102 40.800 -0.170 0.000 1.107 280 D HN 0.411 nan 8.370 nan 0.000 0.495 281 P HA -0.006 nan 4.420 nan 0.000 0.230 281 P C 0.113 177.287 177.300 -0.210 0.000 1.158 281 P CA 0.525 63.368 63.100 -0.427 0.000 0.769 281 P CB 0.474 31.476 31.700 -1.163 0.000 0.807 282 L N -1.429 119.711 121.223 -0.138 0.000 2.333 282 L HA 0.231 4.571 4.340 -0.000 0.000 0.263 282 L C 1.847 178.755 176.870 0.063 0.000 1.014 282 L CA -0.679 54.187 54.840 0.044 0.000 0.820 282 L CB 2.138 44.315 42.059 0.197 0.000 1.352 282 L HN -0.333 nan 8.230 nan 0.000 0.421 283 E N 0.992 121.248 120.200 0.093 0.000 2.051 283 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 283 E C 0.512 177.125 176.600 0.021 0.000 0.991 283 E CA 1.293 57.725 56.400 0.053 0.000 0.799 283 E CB 0.210 29.947 29.700 0.063 0.000 0.748 283 E HN 0.673 nan 8.360 nan 0.000 0.449 284 A N 0.137 122.974 122.820 0.028 0.000 2.299 284 A HA 0.732 5.052 4.320 -0.000 0.000 0.332 284 A C -0.083 177.357 177.584 -0.239 0.000 1.131 284 A CA -0.726 51.226 52.037 -0.142 0.000 0.844 284 A CB 0.989 19.839 19.000 -0.249 0.000 1.251 284 A HN 0.254 nan 8.150 nan 0.000 0.486 285 R N -0.396 119.911 120.500 -0.322 0.000 2.459 285 R HA 0.502 4.842 4.340 -0.000 0.000 0.281 285 R C -1.574 174.361 176.300 -0.609 0.000 1.050 285 R CA 0.193 56.155 56.100 -0.230 0.000 1.055 285 R CB 0.550 30.779 30.300 -0.119 0.000 1.045 285 R HN 0.697 nan 8.270 nan 0.000 0.495 286 Y N 1.145 121.361 120.300 -0.141 0.000 2.545 286 Y HA 0.293 4.843 4.550 -0.000 0.000 0.348 286 Y C -1.318 174.342 175.900 -0.399 0.000 1.002 286 Y CA -2.068 55.814 58.100 -0.363 0.000 1.039 286 Y CB 1.933 40.024 38.460 -0.615 0.000 1.271 286 Y HN 0.408 nan 8.280 nan 0.000 0.467 287 P HA -0.068 nan 4.420 nan 0.000 0.222 287 P C -0.767 176.179 177.300 -0.590 0.000 1.153 287 P CA 1.308 64.252 63.100 -0.260 0.000 0.798 287 P CB 0.653 32.327 31.700 -0.043 0.000 0.796 288 W N -1.100 120.087 121.300 -0.188 0.000 3.022 288 W HA 0.492 5.152 4.660 -0.000 0.000 0.335 288 W C -0.858 175.469 176.519 -0.320 0.000 1.133 288 W CA -0.513 56.755 57.345 -0.128 0.000 1.219 288 W CB 1.263 30.695 29.460 -0.046 0.000 1.409 288 W HN -0.246 nan 8.180 nan 0.000 0.507 289 Y N 0.923 121.387 120.300 0.274 0.000 2.545 289 Y HA 0.725 5.275 4.550 -0.000 0.000 0.348 289 Y C -0.407 175.537 175.900 0.073 0.000 1.002 289 Y CA -1.400 56.792 58.100 0.153 0.000 1.039 289 Y CB 1.960 40.547 38.460 0.212 0.000 1.271 289 Y HN -0.019 nan 8.280 nan 0.000 0.467 290 V N 3.604 123.558 119.914 0.068 0.000 2.531 290 V HA 0.343 4.463 4.120 -0.000 0.000 0.301 290 V C -1.221 174.567 176.094 -0.510 0.000 1.034 290 V CA -0.725 61.434 62.300 -0.235 0.000 0.865 290 V CB 1.856 33.446 31.823 -0.388 0.000 0.995 290 V HN 0.516 nan 8.190 nan 0.000 0.424 291 L N 7.186 127.995 121.223 -0.690 0.000 2.264 291 L HA 0.629 4.969 4.340 -0.000 0.000 0.287 291 L C -0.550 175.933 176.870 -0.644 0.000 1.039 291 L CA 0.294 54.552 54.840 -0.970 0.000 0.829 291 L CB 0.771 42.103 42.059 -1.212 0.000 1.211 291 L HN 0.660 nan 8.230 nan 0.000 0.427 292 I N 4.226 124.485 120.570 -0.517 0.000 2.493 292 I HA 0.552 4.722 4.170 -0.000 0.000 0.298 292 I C -0.976 175.085 176.117 -0.093 0.000 0.998 292 I CA -0.337 60.768 61.300 -0.325 0.000 1.137 292 I CB 1.608 39.403 38.000 -0.343 0.000 1.310 292 I HN 0.819 nan 8.210 nan 0.000 0.445 293 E N 6.303 126.538 120.200 0.057 0.000 2.321 293 E HA 0.477 4.827 4.350 -0.000 0.000 0.278 293 E C -2.135 174.546 176.600 0.135 0.000 0.902 293 E CA -0.671 55.820 56.400 0.152 0.000 0.758 293 E CB 1.884 31.783 29.700 0.331 0.000 1.213 293 E HN 0.500 nan 8.360 nan 0.000 0.426 294 L N 2.252 123.543 121.223 0.113 0.000 2.346 294 L HA 0.552 4.892 4.340 -0.000 0.000 0.274 294 L C -0.693 176.228 176.870 0.085 0.000 1.007 294 L CA -0.428 54.464 54.840 0.086 0.000 0.818 294 L CB 2.169 44.270 42.059 0.070 0.000 1.284 294 L HN 0.453 nan 8.230 nan 0.000 0.424 295 S N 0.822 116.565 115.700 0.070 0.000 2.532 295 S HA 0.792 5.262 4.470 -0.000 0.000 0.299 295 S C -0.806 173.832 174.600 0.064 0.000 1.105 295 S CA -0.627 57.619 58.200 0.077 0.000 1.018 295 S CB 1.864 65.127 63.200 0.105 0.000 1.021 295 S HN 0.539 nan 8.310 nan 0.000 0.483 296 S N 2.105 117.843 115.700 0.063 0.000 2.564 296 S HA 0.639 5.109 4.470 -0.000 0.000 0.274 296 S C -2.215 172.420 174.600 0.058 0.000 1.124 296 S CA -1.708 56.526 58.200 0.056 0.000 0.869 296 S CB 1.580 64.807 63.200 0.045 0.000 1.105 296 S HN 0.416 nan 8.310 nan 0.000 0.472 297 P HA 0.064 nan 4.420 nan 0.000 0.221 297 P C 0.560 177.886 177.300 0.043 0.000 1.155 297 P CA 0.314 63.447 63.100 0.055 0.000 0.812 297 P CB 0.176 31.911 31.700 0.058 0.000 0.801 298 R N 0.164 120.687 120.500 0.039 0.000 2.541 298 R HA 0.243 4.583 4.340 -0.000 0.000 0.263 298 R C 0.696 177.015 176.300 0.033 0.000 1.112 298 R CA -0.391 55.729 56.100 0.032 0.000 1.170 298 R CB -0.923 29.395 30.300 0.029 0.000 1.167 298 R HN 0.073 nan 8.270 nan 0.000 0.582 299 D N 1.216 121.633 120.400 0.029 0.000 3.072 299 D HA 0.067 4.707 4.640 -0.000 0.000 0.250 299 D C -0.348 175.970 176.300 0.029 0.000 1.304 299 D CA 0.080 54.097 54.000 0.029 0.000 0.861 299 D CB -0.238 40.577 40.800 0.025 0.000 1.062 299 D HN 0.568 nan 8.370 nan 0.000 0.481 300 D N -1.897 118.521 120.400 0.031 0.000 2.623 300 D HA 0.163 4.803 4.640 -0.000 0.000 0.252 300 D C 1.295 177.616 176.300 0.035 0.000 1.294 300 D CA -0.429 53.589 54.000 0.031 0.000 0.824 300 D CB 0.289 41.106 40.800 0.028 0.000 1.070 300 D HN 0.013 nan 8.370 nan 0.000 0.487 301 A N 0.702 123.545 122.820 0.039 0.000 1.930 301 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 301 A C 2.219 179.831 177.584 0.047 0.000 1.176 301 A CA 0.930 52.994 52.037 0.045 0.000 0.632 301 A CB -0.432 18.598 19.000 0.051 0.000 0.819 301 A HN 0.206 nan 8.150 nan 0.000 0.445 302 R N -0.353 120.173 120.500 0.044 0.000 2.092 302 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 302 R C 2.297 178.624 176.300 0.045 0.000 1.119 302 R CA 1.264 57.391 56.100 0.046 0.000 0.970 302 R CB -0.342 29.982 30.300 0.040 0.000 0.864 302 R HN 0.441 nan 8.270 nan 0.000 0.440 303 A N 0.784 123.628 122.820 0.040 0.000 1.877 303 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 303 A C 2.336 179.945 177.584 0.042 0.000 1.186 303 A CA 1.782 53.841 52.037 0.038 0.000 0.620 303 A CB -0.792 18.227 19.000 0.032 0.000 0.822 303 A HN 0.517 nan 8.150 nan 0.000 0.443 304 A N -0.656 122.189 122.820 0.042 0.000 1.902 304 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 304 A C 2.125 179.740 177.584 0.052 0.000 1.181 304 A CA 1.723 53.786 52.037 0.043 0.000 0.623 304 A CB -0.621 18.403 19.000 0.040 0.000 0.818 304 A HN 0.693 nan 8.150 nan 0.000 0.443 305 L N 0.256 121.513 121.223 0.057 0.000 2.046 305 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 305 L C 2.097 179.009 176.870 0.070 0.000 1.077 305 L CA 2.482 57.360 54.840 0.064 0.000 0.747 305 L CB -0.790 41.308 42.059 0.065 0.000 0.896 305 L HN 0.533 nan 8.230 nan 0.000 0.432 306 E N -1.361 118.881 120.200 0.070 0.000 2.150 306 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 306 E C 2.255 178.905 176.600 0.083 0.000 0.985 306 E CA 1.134 57.582 56.400 0.080 0.000 0.814 306 E CB -0.149 29.590 29.700 0.066 0.000 0.752 306 E HN 0.532 nan 8.360 nan 0.000 0.466 307 S N 0.435 116.174 115.700 0.066 0.000 2.383 307 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 307 S C 1.943 176.583 174.600 0.068 0.000 1.026 307 S CA 0.676 58.913 58.200 0.061 0.000 0.981 307 S CB -0.108 63.120 63.200 0.046 0.000 0.818 307 S HN 0.167 nan 8.310 nan 0.000 0.472 308 I N 1.172 121.782 120.570 0.067 0.000 2.202 308 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 308 I C 2.188 178.345 176.117 0.067 0.000 1.091 308 I CA 1.102 62.442 61.300 0.065 0.000 1.368 308 I CB -0.335 37.709 38.000 0.074 0.000 1.058 308 I HN 0.296 nan 8.210 nan 0.000 0.410 309 L N 0.178 121.451 121.223 0.083 0.000 2.083 309 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 309 L C 2.705 179.711 176.870 0.226 0.000 1.083 309 L CA 1.085 55.983 54.840 0.097 0.000 0.752 309 L CB -0.670 41.481 42.059 0.153 0.000 0.899 309 L HN 0.317 nan 8.230 nan 0.000 0.433 310 E N 1.122 121.454 120.200 0.220 0.000 2.058 310 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 310 E C 2.262 178.973 176.600 0.186 0.000 0.997 310 E CA 1.489 58.025 56.400 0.227 0.000 0.801 310 E CB 0.038 29.811 29.700 0.120 0.000 0.746 310 E HN 0.447 nan 8.360 nan 0.000 0.450 311 R N -0.593 119.974 120.500 0.112 0.000 2.115 311 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 311 R C 2.532 178.869 176.300 0.061 0.000 1.111 311 R CA 0.951 57.096 56.100 0.076 0.000 0.976 311 R CB -0.497 29.832 30.300 0.048 0.000 0.870 311 R HN 0.206 nan 8.270 nan 0.000 0.445 312 G N 0.732 109.551 108.800 0.032 0.000 2.418 312 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 312 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 312 G C 1.095 175.954 174.900 -0.068 0.000 1.158 312 G CA 0.447 45.514 45.100 -0.055 0.000 0.771 312 G HN 0.132 nan 8.290 nan 0.000 0.545 313 F N 1.048 121.001 119.950 0.005 0.000 2.102 313 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 313 F C 2.629 178.432 175.800 0.005 0.000 1.105 313 F CA 1.543 59.544 58.000 0.003 0.000 1.239 313 F CB -0.329 38.674 39.000 0.005 0.000 0.991 313 F HN 0.190 nan 8.300 nan 0.000 0.474 314 E N 0.627 120.953 120.200 0.209 0.000 2.085 314 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 314 E C 1.314 177.959 176.600 0.075 0.000 0.994 314 E CA 1.808 58.277 56.400 0.115 0.000 0.801 314 E CB -0.463 29.287 29.700 0.083 0.000 0.743 314 E HN 0.230 nan 8.360 nan 0.000 0.453 315 D N -0.955 119.478 120.400 0.055 0.000 2.349 315 D HA 0.129 4.769 4.640 -0.000 0.000 0.224 315 D C 0.942 177.254 176.300 0.020 0.000 1.029 315 D CA 0.917 54.934 54.000 0.027 0.000 0.879 315 D CB 0.035 40.842 40.800 0.011 0.000 0.906 315 D HN 0.367 nan 8.370 nan 0.000 0.528 316 G N 1.515 110.336 108.800 0.036 0.000 2.155 316 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.257 316 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.257 316 G C 1.043 175.933 174.900 -0.016 0.000 0.983 316 G CA 0.703 45.820 45.100 0.029 0.000 0.676 316 G HN 0.544 nan 8.290 nan 0.000 0.528 317 I N -2.796 117.742 120.570 -0.053 0.000 3.427 317 I HA 0.444 4.614 4.170 -0.000 0.000 0.288 317 I C 0.441 176.463 176.117 -0.159 0.000 1.249 317 I CA -0.118 61.133 61.300 -0.081 0.000 1.421 317 I CB 0.311 38.274 38.000 -0.061 0.000 1.086 317 I HN -0.037 nan 8.210 nan 0.000 0.448 318 V N 2.259 122.007 119.914 -0.276 0.000 2.347 318 V HA 0.191 4.311 4.120 -0.000 0.000 0.280 318 V C 1.096 176.897 176.094 -0.488 0.000 1.021 318 V CA -0.311 61.687 62.300 -0.503 0.000 0.847 318 V CB 1.650 32.939 31.823 -0.891 0.000 0.990 318 V HN 0.122 nan 8.190 nan 0.000 0.444 319 V N 2.870 122.578 119.914 -0.343 0.000 2.500 319 V HA 0.136 4.256 4.120 -0.000 0.000 0.243 319 V C 0.464 176.545 176.094 -0.021 0.000 1.039 319 V CA 1.206 63.428 62.300 -0.130 0.000 1.053 319 V CB 0.021 31.796 31.823 -0.079 0.000 0.695 319 V HN 0.954 nan 8.190 nan 0.000 0.463 320 D N -1.706 118.558 120.400 -0.227 0.000 2.654 320 D HA 0.659 5.299 4.640 -0.000 0.000 0.231 320 D C -1.148 175.114 176.300 -0.063 0.000 1.239 320 D CA 0.287 54.295 54.000 0.014 0.000 0.790 320 D CB 2.131 42.968 40.800 0.061 0.000 1.480 320 D HN 0.286 nan 8.370 nan 0.000 0.442 321 A N 0.866 123.768 122.820 0.136 0.000 2.549 321 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 321 A C -1.588 176.096 177.584 0.166 0.000 1.061 321 A CA -0.219 51.881 52.037 0.104 0.000 0.690 321 A CB 1.797 20.853 19.000 0.094 0.000 1.287 321 A HN 0.828 nan 8.150 nan 0.000 0.402 322 A N 2.050 124.977 122.820 0.178 0.000 2.375 322 A HA 0.663 4.983 4.320 -0.000 0.000 0.291 322 A C -0.657 177.124 177.584 0.327 0.000 1.160 322 A CA -0.274 51.908 52.037 0.241 0.000 0.747 322 A CB 0.175 19.338 19.000 0.271 0.000 1.170 322 A HN 0.728 nan 8.150 nan 0.000 0.458 323 I N 2.448 123.154 120.570 0.227 0.000 2.395 323 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 323 I C 1.124 177.311 176.117 0.117 0.000 1.023 323 I CA -0.275 61.138 61.300 0.187 0.000 1.350 323 I CB 1.629 39.699 38.000 0.116 0.000 1.409 323 I HN 0.739 nan 8.210 nan 0.000 0.507 324 A N 5.603 128.435 122.820 0.020 0.000 2.520 324 A HA 0.091 4.411 4.320 -0.000 0.000 0.245 324 A C 0.646 178.173 177.584 -0.094 0.000 1.072 324 A CA -0.059 51.842 52.037 -0.226 0.000 0.761 324 A CB -0.098 18.689 19.000 -0.356 0.000 1.004 324 A HN 0.806 nan 8.150 nan 0.000 0.499 325 N N 0.146 118.789 118.700 -0.096 0.000 2.205 325 N HA 0.107 4.847 4.740 -0.000 0.000 0.201 325 N C -0.317 175.167 175.510 -0.043 0.000 1.128 325 N CA 0.874 53.899 53.050 -0.042 0.000 0.867 325 N CB 0.379 38.855 38.487 -0.019 0.000 0.996 325 N HN 0.808 nan 8.380 nan 0.000 0.503 326 S N -2.512 113.145 115.700 -0.071 0.000 2.587 326 S HA 0.308 4.778 4.470 -0.000 0.000 0.269 326 S C 0.752 175.318 174.600 -0.058 0.000 1.154 326 S CA -0.742 57.429 58.200 -0.049 0.000 0.824 326 S CB 1.218 64.394 63.200 -0.040 0.000 1.118 326 S HN -0.242 nan 8.310 nan 0.000 0.462 327 V N 1.827 121.725 119.914 -0.027 0.000 2.469 327 V HA -0.213 3.907 4.120 -0.000 0.000 0.251 327 V C 2.718 178.803 176.094 -0.016 0.000 1.064 327 V CA 2.363 64.656 62.300 -0.011 0.000 1.066 327 V CB -1.212 30.614 31.823 0.005 0.000 0.667 327 V HN 0.886 nan 8.190 nan 0.000 0.461 328 Q N -0.507 119.279 119.800 -0.024 0.000 2.084 328 Q HA -0.300 4.040 4.340 -0.000 0.000 0.202 328 Q C 2.342 178.314 176.000 -0.048 0.000 0.978 328 Q CA 1.988 57.780 55.803 -0.019 0.000 0.844 328 Q CB -0.204 28.525 28.738 -0.016 0.000 0.898 328 Q HN 0.677 nan 8.270 nan 0.000 0.426 329 Q N 0.569 120.298 119.800 -0.119 0.000 2.123 329 Q HA -0.175 4.165 4.340 -0.000 0.000 0.199 329 Q C 2.065 177.809 176.000 -0.428 0.000 0.966 329 Q CA 0.982 56.630 55.803 -0.259 0.000 0.845 329 Q CB 0.194 28.739 28.738 -0.321 0.000 0.907 329 Q HN 0.407 nan 8.270 nan 0.000 0.439 330 Q N -0.068 119.561 119.800 -0.286 0.000 2.061 330 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 330 Q C 2.076 178.156 176.000 0.132 0.000 0.984 330 Q CA 1.719 57.445 55.803 -0.128 0.000 0.846 330 Q CB -0.005 28.756 28.738 0.039 0.000 0.902 330 Q HN 0.490 nan 8.270 nan 0.000 0.421 331 Q N -0.362 119.509 119.800 0.119 0.000 2.167 331 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 331 Q C 2.020 178.143 176.000 0.205 0.000 0.970 331 Q CA 1.044 56.962 55.803 0.191 0.000 0.855 331 Q CB -0.076 28.728 28.738 0.110 0.000 0.911 331 Q HN 0.353 nan 8.270 nan 0.000 0.438 332 A N 0.476 123.381 122.820 0.143 0.000 1.898 332 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 332 A C 1.668 179.445 177.584 0.321 0.000 1.181 332 A CA 1.009 53.153 52.037 0.180 0.000 0.620 332 A CB -0.586 18.492 19.000 0.131 0.000 0.819 332 A HN 0.254 nan 8.150 nan 0.000 0.442 333 F N -1.417 118.586 119.950 0.088 0.000 2.069 333 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 333 F C 2.181 177.988 175.800 0.012 0.000 1.113 333 F CA 0.560 58.612 58.000 0.086 0.000 1.214 333 F CB -1.420 37.558 39.000 -0.038 0.000 0.978 333 F HN 0.411 nan 8.300 nan 0.000 0.474 334 W N 0.459 121.936 121.300 0.295 0.000 2.402 334 W HA -0.106 4.554 4.660 -0.000 0.000 0.286 334 W C 2.536 179.127 176.519 0.119 0.000 1.221 334 W CA 1.137 58.577 57.345 0.158 0.000 1.257 334 W CB -0.459 29.066 29.460 0.108 0.000 1.120 334 W HN -0.075 nan 8.180 nan 0.000 0.551 335 K N 0.902 121.494 120.400 0.321 0.000 2.097 335 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 335 K C 1.958 178.646 176.600 0.146 0.000 1.049 335 K CA 1.319 57.726 56.287 0.200 0.000 0.933 335 K CB -0.431 32.158 32.500 0.147 0.000 0.717 335 K HN 0.235 nan 8.250 nan 0.000 0.442 336 L N 0.793 122.098 121.223 0.136 0.000 1.994 336 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 336 L C 2.629 179.528 176.870 0.049 0.000 1.071 336 L CA 1.458 56.334 54.840 0.059 0.000 0.745 336 L CB -0.331 41.738 42.059 0.016 0.000 0.892 336 L HN 0.121 nan 8.230 nan 0.000 0.431 337 R N 0.527 121.083 120.500 0.093 0.000 2.073 337 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 337 R C 2.030 178.398 176.300 0.113 0.000 1.134 337 R CA 2.155 58.300 56.100 0.075 0.000 0.952 337 R CB -0.595 29.756 30.300 0.086 0.000 0.850 337 R HN 0.491 nan 8.270 nan 0.000 0.433 338 E N 0.018 120.338 120.200 0.199 0.000 2.204 338 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 338 E C 1.214 177.869 176.600 0.092 0.000 0.990 338 E CA 1.318 57.818 56.400 0.167 0.000 0.821 338 E CB 0.020 29.828 29.700 0.180 0.000 0.750 338 E HN 0.539 nan 8.360 nan 0.000 0.477 339 E N 0.160 120.397 120.200 0.062 0.000 2.465 339 E HA 0.052 4.402 4.350 -0.000 0.000 0.191 339 E C 1.559 178.154 176.600 -0.008 0.000 1.053 339 E CA -0.195 56.226 56.400 0.036 0.000 0.869 339 E CB 0.237 29.964 29.700 0.044 0.000 0.977 339 E HN 0.291 nan 8.360 nan 0.000 0.483 340 I N 0.623 121.141 120.570 -0.086 0.000 2.208 340 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 340 I C 2.572 178.622 176.117 -0.112 0.000 1.097 340 I CA 0.840 62.015 61.300 -0.208 0.000 1.363 340 I CB -0.282 37.352 38.000 -0.609 0.000 1.051 340 I HN 0.125 nan 8.210 nan 0.000 0.413 341 S N 1.247 116.927 115.700 -0.034 0.000 2.359 341 S HA -0.111 4.359 4.470 -0.000 0.000 0.222 341 S C -0.163 174.481 174.600 0.073 0.000 1.038 341 S CA 2.008 60.258 58.200 0.084 0.000 1.051 341 S CB -1.157 62.123 63.200 0.132 0.000 0.944 341 S HN 0.247 nan 8.310 nan 0.000 0.433 342 P HA 0.155 nan 4.420 nan 0.000 0.229 342 P C 1.035 178.342 177.300 0.012 0.000 1.160 342 P CA 1.111 64.233 63.100 0.035 0.000 0.777 342 P CB -0.252 31.468 31.700 0.034 0.000 0.814 343 A N 0.171 123.007 122.820 0.028 0.000 2.121 343 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 343 A C 2.232 179.799 177.584 -0.029 0.000 1.154 343 A CA 1.049 53.109 52.037 0.038 0.000 0.679 343 A CB -0.967 18.098 19.000 0.108 0.000 0.795 343 A HN 0.214 nan 8.150 nan 0.000 0.458 344 Q N -0.583 119.231 119.800 0.024 0.000 2.187 344 Q HA -0.106 4.234 4.340 -0.000 0.000 0.199 344 Q C 2.181 178.096 176.000 -0.141 0.000 0.957 344 Q CA 1.278 57.085 55.803 0.007 0.000 0.857 344 Q CB -0.073 28.747 28.738 0.136 0.000 0.929 344 Q HN 0.535 nan 8.270 nan 0.000 0.453 345 K N 0.615 120.951 120.400 -0.107 0.000 2.015 345 K HA -0.160 4.160 4.320 -0.000 0.000 0.216 345 K C -0.685 175.791 176.600 -0.206 0.000 1.052 345 K CA 1.746 57.965 56.287 -0.112 0.000 0.937 345 K CB -1.793 30.666 32.500 -0.067 0.000 0.719 345 K HN 0.447 nan 8.250 nan 0.000 0.446 346 P HA -0.060 nan 4.420 nan 0.000 0.230 346 P C 0.698 177.715 177.300 -0.472 0.000 1.158 346 P CA 1.086 63.944 63.100 -0.402 0.000 0.769 346 P CB 0.057 31.422 31.700 -0.558 0.000 0.807 347 E N 0.042 119.906 120.200 -0.559 0.000 2.476 347 E HA 0.296 4.646 4.350 -0.000 0.000 0.191 347 E C 0.981 177.402 176.600 -0.299 0.000 1.064 347 E CA 0.390 56.471 56.400 -0.531 0.000 0.866 347 E CB -0.355 28.784 29.700 -0.935 0.000 0.952 347 E HN 0.265 nan 8.360 nan 0.000 0.492 348 G N -1.347 107.324 108.800 -0.215 0.000 2.428 348 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.202 348 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.202 348 G C 0.307 175.167 174.900 -0.067 0.000 1.247 348 G CA -0.608 44.410 45.100 -0.137 0.000 1.020 348 G HN 0.442 nan 8.290 nan 0.000 0.529 349 G N -0.493 108.287 108.800 -0.034 0.000 2.432 349 G HA2 0.552 4.512 3.960 -0.000 0.000 0.239 349 G HA3 0.552 4.512 3.960 -0.000 0.000 0.239 349 G C 0.273 175.274 174.900 0.169 0.000 1.291 349 G CA 1.458 46.641 45.100 0.138 0.000 0.863 349 G HN 1.742 nan 8.290 nan 0.000 0.560 350 S N 1.288 117.136 115.700 0.246 0.000 2.672 350 S HA 0.475 4.945 4.470 -0.000 0.000 0.291 350 S C -0.360 174.234 174.600 -0.011 0.000 1.145 350 S CA -0.776 57.529 58.200 0.174 0.000 1.013 350 S CB 0.575 63.842 63.200 0.112 0.000 1.017 350 S HN 0.459 nan 8.310 nan 0.000 0.487 351 I N 5.281 125.722 120.570 -0.215 0.000 2.291 351 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 351 I C 0.113 175.756 176.117 -0.790 0.000 1.050 351 I CA -0.422 60.259 61.300 -1.031 0.000 1.245 351 I CB 0.925 38.362 38.000 -0.939 0.000 1.405 351 I HN 0.418 nan 8.210 nan 0.000 0.478 352 K N 5.442 125.316 120.400 -0.877 0.000 2.110 352 K HA 0.639 4.959 4.320 -0.000 0.000 0.263 352 K C -1.083 175.268 176.600 -0.414 0.000 0.975 352 K CA -0.792 55.317 56.287 -0.297 0.000 0.895 352 K CB 1.386 33.919 32.500 0.054 0.000 1.060 352 K HN 0.495 nan 8.250 nan 0.000 0.448 353 H N 0.104 119.238 119.070 0.107 0.000 3.042 353 H HA 0.120 4.676 4.556 -0.000 0.000 0.345 353 H C -1.677 173.733 175.328 0.136 0.000 1.052 353 H CA -0.775 55.382 56.048 0.181 0.000 1.311 353 H CB 1.596 31.455 29.762 0.162 0.000 1.810 353 H HN 0.471 nan 8.280 nan 0.000 0.505 354 D N 3.479 124.009 120.400 0.217 0.000 2.454 354 D HA 0.313 4.953 4.640 -0.000 0.000 0.225 354 D C -0.701 175.573 176.300 -0.044 0.000 1.081 354 D CA -0.514 53.438 54.000 -0.079 0.000 0.864 354 D CB 0.304 40.932 40.800 -0.287 0.000 1.040 354 D HN 0.410 nan 8.370 nan 0.000 0.517 355 I N 0.047 120.564 120.570 -0.088 0.000 3.170 355 I HA 0.819 4.989 4.170 -0.000 0.000 0.312 355 I C -0.580 175.394 176.117 -0.239 0.000 1.085 355 I CA -1.052 60.174 61.300 -0.123 0.000 0.999 355 I CB 1.860 39.796 38.000 -0.106 0.000 1.233 355 I HN 0.205 nan 8.210 nan 0.000 0.467 356 S N 1.127 116.681 115.700 -0.242 0.000 2.556 356 S HA 0.947 5.417 4.470 -0.000 0.000 0.271 356 S C -0.709 173.745 174.600 -0.243 0.000 1.135 356 S CA -0.145 57.913 58.200 -0.236 0.000 0.858 356 S CB 1.352 64.464 63.200 -0.146 0.000 1.114 356 S HN 1.894 nan 8.310 nan 0.000 0.468 357 V N -2.763 117.018 119.914 -0.222 0.000 3.182 357 V HA 0.814 4.934 4.120 -0.000 0.000 0.308 357 V C -3.240 172.790 176.094 -0.107 0.000 1.240 357 V CA -2.759 59.443 62.300 -0.164 0.000 1.063 357 V CB 0.522 32.237 31.823 -0.180 0.000 1.076 357 V HN 0.728 nan 8.190 nan 0.000 0.446 358 P HA 0.227 nan 4.420 nan 0.000 0.267 358 P C 1.049 178.312 177.300 -0.062 0.000 1.200 358 P CA 0.079 63.142 63.100 -0.062 0.000 0.772 358 P CB 0.817 32.487 31.700 -0.050 0.000 0.855 359 V N 2.717 122.595 119.914 -0.061 0.000 2.324 359 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 359 V C 2.265 178.320 176.094 -0.064 0.000 1.060 359 V CA 2.705 64.966 62.300 -0.065 0.000 1.042 359 V CB -1.516 30.262 31.823 -0.076 0.000 0.650 359 V HN 0.709 nan 8.190 nan 0.000 0.450 360 A N -0.510 122.275 122.820 -0.059 0.000 2.070 360 A HA 0.064 4.384 4.320 -0.000 0.000 0.220 360 A C 2.136 179.693 177.584 -0.044 0.000 1.159 360 A CA 1.614 53.618 52.037 -0.055 0.000 0.656 360 A CB -0.417 18.553 19.000 -0.049 0.000 0.800 360 A HN 0.612 nan 8.150 nan 0.000 0.453 361 A N -0.901 121.898 122.820 -0.036 0.000 2.275 361 A HA 0.402 4.722 4.320 -0.000 0.000 0.212 361 A C 1.762 179.354 177.584 0.013 0.000 1.201 361 A CA 0.614 52.642 52.037 -0.014 0.000 0.843 361 A CB -0.322 18.672 19.000 -0.010 0.000 0.873 361 A HN 0.223 nan 8.150 nan 0.000 0.492 362 V N 0.989 120.898 119.914 -0.008 0.000 2.332 362 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 362 V C -0.209 175.903 176.094 0.031 0.000 1.055 362 V CA 2.606 64.919 62.300 0.022 0.000 1.038 362 V CB -1.196 30.619 31.823 -0.013 0.000 0.651 362 V HN 0.378 nan 8.190 nan 0.000 0.450 363 P HA -0.149 nan 4.420 nan 0.000 0.216 363 P C 1.780 179.047 177.300 -0.056 0.000 1.153 363 P CA 1.339 64.380 63.100 -0.098 0.000 0.848 363 P CB -0.039 31.590 31.700 -0.119 0.000 0.787 364 Q N -1.707 118.079 119.800 -0.023 0.000 2.084 364 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 364 Q C 2.050 178.040 176.000 -0.018 0.000 0.978 364 Q CA 1.267 57.057 55.803 -0.021 0.000 0.844 364 Q CB -0.787 27.947 28.738 -0.007 0.000 0.898 364 Q HN 0.209 nan 8.270 nan 0.000 0.426 365 F N 1.224 121.119 119.950 -0.091 0.000 2.095 365 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 365 F C 1.821 177.539 175.800 -0.136 0.000 1.104 365 F CA 1.410 59.340 58.000 -0.118 0.000 1.232 365 F CB -0.187 38.741 39.000 -0.119 0.000 0.987 365 F HN -0.037 nan 8.300 nan 0.000 0.475 366 I N 0.263 120.722 120.570 -0.186 0.000 2.142 366 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 366 I C 2.619 178.629 176.117 -0.179 0.000 1.078 366 I CA 1.700 62.887 61.300 -0.187 0.000 1.343 366 I CB -0.697 37.346 38.000 0.072 0.000 1.046 366 I HN 0.225 nan 8.210 nan 0.000 0.405 367 E N 1.038 121.170 120.200 -0.114 0.000 2.085 367 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 367 E C 2.088 178.615 176.600 -0.123 0.000 0.994 367 E CA 1.794 58.150 56.400 -0.073 0.000 0.801 367 E CB -0.045 29.620 29.700 -0.058 0.000 0.743 367 E HN 0.584 nan 8.360 nan 0.000 0.453 368 Q N -0.424 119.256 119.800 -0.199 0.000 2.096 368 Q HA 0.003 4.342 4.340 -0.000 0.000 0.197 368 Q C 2.203 178.029 176.000 -0.290 0.000 0.964 368 Q CA 1.108 56.789 55.803 -0.204 0.000 0.838 368 Q CB -0.095 28.539 28.738 -0.173 0.000 0.906 368 Q HN 0.288 nan 8.270 nan 0.000 0.444 369 A N 1.732 124.219 122.820 -0.556 0.000 1.858 369 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 369 A C 1.777 179.219 177.584 -0.236 0.000 1.190 369 A CA 1.668 53.314 52.037 -0.652 0.000 0.617 369 A CB -0.609 17.464 19.000 -1.546 0.000 0.827 369 A HN 0.274 nan 8.150 nan 0.000 0.443 370 N N 0.645 119.287 118.700 -0.096 0.000 2.061 370 N HA -0.169 4.571 4.740 -0.000 0.000 0.193 370 N C 1.876 177.396 175.510 0.017 0.000 1.030 370 N CA 1.898 54.993 53.050 0.075 0.000 0.856 370 N CB -0.715 37.834 38.487 0.103 0.000 1.023 370 N HN 0.487 nan 8.380 nan 0.000 0.424 371 A N 0.777 123.580 122.820 -0.029 0.000 1.858 371 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 371 A C 2.361 179.928 177.584 -0.028 0.000 1.190 371 A CA 2.187 54.210 52.037 -0.023 0.000 0.617 371 A CB -1.072 17.907 19.000 -0.035 0.000 0.827 371 A HN 0.335 nan 8.150 nan 0.000 0.443 372 A N -0.760 122.025 122.820 -0.058 0.000 1.902 372 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 372 A C 2.254 179.820 177.584 -0.031 0.000 1.181 372 A CA 1.841 53.845 52.037 -0.055 0.000 0.623 372 A CB -0.899 18.048 19.000 -0.089 0.000 0.818 372 A HN 0.384 nan 8.150 nan 0.000 0.443 373 V N -0.497 119.410 119.914 -0.011 0.000 2.307 373 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 373 V C 2.572 178.690 176.094 0.040 0.000 1.045 373 V CA 1.898 64.216 62.300 0.029 0.000 1.024 373 V CB -0.593 31.290 31.823 0.101 0.000 0.651 373 V HN 0.368 nan 8.190 nan 0.000 0.449 374 V N 0.384 120.321 119.914 0.039 0.000 2.490 374 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 374 V C 2.647 178.756 176.094 0.025 0.000 1.061 374 V CA 1.937 64.259 62.300 0.036 0.000 1.064 374 V CB -1.065 30.776 31.823 0.029 0.000 0.670 374 V HN 0.566 nan 8.190 nan 0.000 0.461 375 A N -0.446 122.382 122.820 0.013 0.000 1.930 375 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 375 A C 2.129 179.719 177.584 0.011 0.000 1.175 375 A CA 1.821 53.863 52.037 0.007 0.000 0.627 375 A CB -0.429 18.569 19.000 -0.003 0.000 0.815 375 A HN 0.449 nan 8.150 nan 0.000 0.443 376 L N -0.643 120.586 121.223 0.010 0.000 2.044 376 L HA 0.201 4.540 4.340 -0.000 0.000 0.205 376 L C 0.475 177.362 176.870 0.030 0.000 1.075 376 L CA 1.616 56.462 54.840 0.010 0.000 0.747 376 L CB -0.018 42.038 42.059 -0.005 0.000 0.903 376 L HN 0.349 nan 8.230 nan 0.000 0.435 377 I N 0.495 121.095 120.570 0.051 0.000 2.623 377 I HA 0.274 4.444 4.170 -0.000 0.000 0.275 377 I C -2.344 173.818 176.117 0.074 0.000 1.108 377 I CA -1.839 59.510 61.300 0.083 0.000 1.120 377 I CB 1.077 39.167 38.000 0.151 0.000 1.249 377 I HN -0.044 nan 8.210 nan 0.000 0.500 378 P HA 0.047 nan 4.420 nan 0.000 0.264 378 P C 1.080 178.402 177.300 0.037 0.000 1.183 378 P CA 0.977 64.099 63.100 0.037 0.000 0.763 378 P CB 0.671 32.388 31.700 0.028 0.000 0.807 379 G N 1.602 110.416 108.800 0.024 0.000 2.199 379 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 379 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 379 G C 0.469 175.369 174.900 0.001 0.000 0.982 379 G CA 0.024 45.130 45.100 0.009 0.000 0.632 379 G HN 0.859 nan 8.290 nan 0.000 0.529 380 A N 0.163 123.003 122.820 0.034 0.000 2.462 380 A HA 0.643 4.963 4.320 -0.000 0.000 0.243 380 A C 0.725 178.317 177.584 0.012 0.000 1.076 380 A CA 0.407 52.468 52.037 0.041 0.000 0.773 380 A CB 0.197 19.292 19.000 0.157 0.000 1.010 380 A HN 0.522 nan 8.150 nan 0.000 0.493 381 R N 2.617 123.106 120.500 -0.018 0.000 2.272 381 R HA 0.341 4.681 4.340 -0.000 0.000 0.323 381 R C -2.850 173.425 176.300 -0.042 0.000 1.002 381 R CA -1.622 54.465 56.100 -0.021 0.000 0.900 381 R CB 1.134 31.436 30.300 0.003 0.000 1.151 381 R HN 0.448 nan 8.270 nan 0.000 0.507 382 P HA 0.025 nan 4.420 nan 0.000 0.271 382 P C -0.631 176.570 177.300 -0.165 0.000 1.216 382 P CA -0.171 62.844 63.100 -0.141 0.000 0.771 382 P CB 0.937 32.609 31.700 -0.046 0.000 0.864 383 V N 5.881 125.678 119.914 -0.195 0.000 2.320 383 V HA 0.325 4.445 4.120 -0.000 0.000 0.268 383 V C -2.295 173.838 176.094 0.065 0.000 1.021 383 V CA -1.511 60.736 62.300 -0.089 0.000 0.813 383 V CB 1.321 33.132 31.823 -0.020 0.000 1.054 383 V HN 0.533 nan 8.190 nan 0.000 0.444 384 P HA 0.750 nan 4.420 nan 0.000 0.305 384 P C -1.230 176.370 177.300 0.500 0.000 1.378 384 P CA -0.586 62.702 63.100 0.314 0.000 0.926 384 P CB 1.728 33.709 31.700 0.468 0.000 1.051 385 F N -0.110 119.970 119.950 0.217 0.000 2.678 385 F HA 0.895 5.422 4.527 -0.000 0.000 0.308 385 F C -0.520 175.371 175.800 0.151 0.000 1.118 385 F CA -0.881 57.225 58.000 0.178 0.000 0.959 385 F CB 1.207 40.252 39.000 0.075 0.000 1.305 385 F HN 0.690 nan 8.300 nan 0.000 0.443 386 G N 0.142 109.032 108.800 0.150 0.000 2.340 386 G HA2 0.358 4.318 3.960 -0.000 0.000 0.299 386 G HA3 0.358 4.318 3.960 -0.000 0.000 0.299 386 G C -2.350 172.541 174.900 -0.015 0.000 1.291 386 G CA -1.072 43.971 45.100 -0.094 0.000 0.841 386 G HN 0.943 nan 8.290 nan 0.000 0.500 387 H N 1.435 120.613 119.070 0.179 0.000 2.818 387 H HA 0.283 4.838 4.556 -0.000 0.000 0.269 387 H C 1.212 176.613 175.328 0.122 0.000 1.277 387 H CA -0.584 55.561 56.048 0.162 0.000 1.290 387 H CB 1.389 31.229 29.762 0.129 0.000 1.479 387 H HN 0.283 nan 8.280 nan 0.000 0.507 388 L N 3.076 124.446 121.223 0.245 0.000 2.191 388 L HA -0.003 4.337 4.340 -0.000 0.000 0.212 388 L C 2.205 179.100 176.870 0.042 0.000 1.103 388 L CA 1.622 56.548 54.840 0.143 0.000 0.769 388 L CB -0.603 41.582 42.059 0.210 0.000 0.908 388 L HN 0.709 nan 8.230 nan 0.000 0.438 389 G N -0.765 108.074 108.800 0.064 0.000 2.471 389 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 389 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 389 G C 0.881 175.771 174.900 -0.016 0.000 1.125 389 G CA 0.859 45.938 45.100 -0.034 0.000 0.775 389 G HN 0.639 nan 8.290 nan 0.000 0.548 390 D N -2.699 117.723 120.400 0.038 0.000 2.469 390 D HA 0.275 4.915 4.640 -0.000 0.000 0.213 390 D C 1.553 177.856 176.300 0.004 0.000 1.135 390 D CA 0.425 54.435 54.000 0.016 0.000 0.834 390 D CB -0.290 40.526 40.800 0.027 0.000 1.009 390 D HN 0.326 nan 8.370 nan 0.000 0.507 391 G N 0.890 109.692 108.800 0.003 0.000 2.184 391 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 391 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 391 G C -0.068 174.791 174.900 -0.069 0.000 0.975 391 G CA 0.165 45.240 45.100 -0.041 0.000 0.642 391 G HN 0.647 nan 8.290 nan 0.000 0.536 392 N N 0.416 119.107 118.700 -0.015 0.000 2.420 392 N HA 0.468 5.208 4.740 -0.000 0.000 0.249 392 N C -0.334 175.100 175.510 -0.126 0.000 1.033 392 N CA -0.709 52.302 53.050 -0.065 0.000 0.944 392 N CB 0.176 38.694 38.487 0.052 0.000 1.113 392 N HN 0.037 nan 8.380 nan 0.000 0.502 393 I N 3.785 124.246 120.570 -0.181 0.000 2.406 393 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 393 I C 0.204 176.219 176.117 -0.170 0.000 0.999 393 I CA -0.702 60.525 61.300 -0.122 0.000 1.124 393 I CB 1.331 39.331 38.000 0.001 0.000 1.289 393 I HN 0.508 nan 8.210 nan 0.000 0.441 394 H N 6.491 125.344 119.070 -0.361 0.000 3.089 394 H HA 0.040 4.596 4.556 -0.000 0.000 0.262 394 H C -1.028 174.171 175.328 -0.214 0.000 1.160 394 H CA 0.097 55.897 56.048 -0.413 0.000 1.482 394 H CB 0.407 29.569 29.762 -1.001 0.000 1.511 394 H HN 0.404 nan 8.280 nan 0.000 0.483 395 Y N 5.273 125.589 120.300 0.027 0.000 2.700 395 Y HA 0.130 4.680 4.550 -0.000 0.000 0.333 395 Y C -0.586 175.410 175.900 0.160 0.000 1.036 395 Y CA -0.949 57.246 58.100 0.158 0.000 1.287 395 Y CB -0.193 38.459 38.460 0.318 0.000 1.132 395 Y HN 0.512 nan 8.280 nan 0.000 0.510 396 N N 3.021 121.611 118.700 -0.183 0.000 2.477 396 N HA 0.600 5.340 4.740 -0.000 0.000 0.284 396 N C -1.433 173.909 175.510 -0.279 0.000 1.182 396 N CA -0.598 52.380 53.050 -0.120 0.000 0.949 396 N CB 2.176 40.707 38.487 0.074 0.000 1.204 396 N HN 0.211 nan 8.380 nan 0.000 0.526 397 V N 0.467 120.307 119.914 -0.123 0.000 2.488 397 V HA 0.313 4.433 4.120 -0.000 0.000 0.293 397 V C -0.080 176.083 176.094 0.114 0.000 1.027 397 V CA -0.774 61.503 62.300 -0.039 0.000 0.862 397 V CB 1.374 33.220 31.823 0.038 0.000 1.008 397 V HN 0.560 nan 8.190 nan 0.000 0.428 398 S N 3.395 119.122 115.700 0.046 0.000 2.617 398 S HA 0.390 4.860 4.470 -0.000 0.000 0.269 398 S C 0.131 174.510 174.600 -0.368 0.000 1.292 398 S CA -0.602 57.578 58.200 -0.033 0.000 1.010 398 S CB 1.086 64.340 63.200 0.090 0.000 0.944 398 S HN 0.906 nan 8.310 nan 0.000 0.536 399 Q N 1.143 120.432 119.800 -0.851 0.000 2.474 399 Q HA 0.271 4.611 4.340 -0.000 0.000 0.256 399 Q C -2.690 172.966 176.000 -0.573 0.000 1.048 399 Q CA -1.345 53.595 55.803 -1.439 0.000 0.922 399 Q CB -0.642 27.388 28.738 -1.180 0.000 1.288 399 Q HN 0.193 nan 8.270 nan 0.000 0.484 400 P HA -0.012 nan 4.420 nan 0.000 0.271 400 P C -0.815 176.397 177.300 -0.147 0.000 1.218 400 P CA -0.336 62.659 63.100 -0.174 0.000 0.780 400 P CB 0.524 32.171 31.700 -0.088 0.000 0.901 401 V N 3.101 122.962 119.914 -0.089 0.000 2.509 401 V HA 0.168 4.288 4.120 -0.000 0.000 0.297 401 V C 1.756 177.813 176.094 -0.062 0.000 1.014 401 V CA 1.918 64.175 62.300 -0.072 0.000 1.127 401 V CB -0.813 30.985 31.823 -0.041 0.000 0.925 401 V HN 1.052 nan 8.190 nan 0.000 0.480 402 G N 3.462 112.222 108.800 -0.067 0.000 2.176 402 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.253 402 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.253 402 G C 0.472 175.348 174.900 -0.039 0.000 0.979 402 G CA 0.276 45.348 45.100 -0.047 0.000 0.641 402 G HN 1.502 nan 8.290 nan 0.000 0.530 403 A N 0.009 122.798 122.820 -0.053 0.000 2.327 403 A HA 0.491 4.811 4.320 -0.000 0.000 0.255 403 A C 0.512 178.092 177.584 -0.006 0.000 1.099 403 A CA 0.536 52.559 52.037 -0.023 0.000 0.801 403 A CB 0.244 19.229 19.000 -0.024 0.000 1.062 403 A HN 0.449 nan 8.150 nan 0.000 0.496 404 D N 0.310 120.730 120.400 0.032 0.000 2.338 404 D HA 0.029 4.669 4.640 -0.000 0.000 0.255 404 D C 1.073 177.425 176.300 0.086 0.000 1.237 404 D CA 0.075 54.103 54.000 0.047 0.000 0.883 404 D CB 0.753 41.584 40.800 0.052 0.000 1.087 404 D HN 0.600 nan 8.370 nan 0.000 0.485 405 K N 3.481 123.922 120.400 0.068 0.000 2.015 405 K HA -0.260 4.060 4.320 -0.000 0.000 0.216 405 K C 1.732 178.435 176.600 0.171 0.000 1.052 405 K CA 1.758 58.112 56.287 0.111 0.000 0.937 405 K CB -0.094 32.444 32.500 0.063 0.000 0.719 405 K HN 0.464 nan 8.250 nan 0.000 0.446 406 A N 1.045 123.932 122.820 0.113 0.000 1.940 406 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 406 A C 2.031 179.681 177.584 0.110 0.000 1.176 406 A CA 1.976 54.073 52.037 0.101 0.000 0.631 406 A CB -0.619 18.419 19.000 0.063 0.000 0.814 406 A HN 0.654 nan 8.150 nan 0.000 0.446 407 E N -1.660 118.609 120.200 0.115 0.000 2.150 407 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 407 E C 1.672 178.360 176.600 0.147 0.000 0.985 407 E CA 1.060 57.526 56.400 0.109 0.000 0.814 407 E CB -0.190 29.567 29.700 0.096 0.000 0.752 407 E HN 0.647 nan 8.360 nan 0.000 0.466 408 F N 0.954 120.931 119.950 0.045 0.000 2.128 408 F HA -0.032 4.495 4.527 -0.000 0.000 0.295 408 F C 1.798 177.644 175.800 0.078 0.000 1.100 408 F CA 1.046 59.074 58.000 0.046 0.000 1.260 408 F CB -0.152 38.865 39.000 0.028 0.000 1.009 408 F HN -0.043 nan 8.300 nan 0.000 0.476 409 L N 0.227 121.505 121.223 0.093 0.000 2.191 409 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 409 L C 2.659 179.573 176.870 0.075 0.000 1.103 409 L CA 0.921 55.808 54.840 0.079 0.000 0.769 409 L CB -1.150 41.041 42.059 0.220 0.000 0.908 409 L HN 0.279 nan 8.230 nan 0.000 0.438 410 A N -0.242 122.605 122.820 0.045 0.000 2.070 410 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 410 A C 2.033 179.642 177.584 0.042 0.000 1.159 410 A CA 1.007 53.074 52.037 0.049 0.000 0.656 410 A CB -0.265 18.760 19.000 0.043 0.000 0.800 410 A HN 0.259 nan 8.150 nan 0.000 0.453 411 R N -1.136 119.337 120.500 -0.045 0.000 2.313 411 R HA -0.036 4.304 4.340 -0.000 0.000 0.199 411 R C 1.439 177.726 176.300 -0.022 0.000 0.958 411 R CA -0.256 55.806 56.100 -0.062 0.000 1.047 411 R CB -0.770 29.427 30.300 -0.171 0.000 0.955 411 R HN 0.829 nan 8.270 nan 0.000 0.481 412 W N 1.919 123.130 121.300 -0.149 0.000 2.302 412 W HA -0.295 4.365 4.660 -0.000 0.000 0.320 412 W C 1.912 178.433 176.519 0.003 0.000 1.241 412 W CA 1.894 59.186 57.345 -0.089 0.000 1.264 412 W CB -0.626 28.797 29.460 -0.062 0.000 1.154 412 W HN 0.328 nan 8.180 nan 0.000 0.483 413 H N 0.222 119.459 119.070 0.278 0.000 2.353 413 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 413 H C 1.620 177.000 175.328 0.086 0.000 1.090 413 H CA 2.097 58.259 56.048 0.189 0.000 1.327 413 H CB -0.260 29.574 29.762 0.121 0.000 1.383 413 H HN 0.022 nan 8.280 nan 0.000 0.508 414 D N 0.202 120.605 120.400 0.005 0.000 2.144 414 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 414 D C 2.460 178.676 176.300 -0.140 0.000 0.984 414 D CA 0.789 54.738 54.000 -0.084 0.000 0.834 414 D CB -0.214 40.578 40.800 -0.013 0.000 0.955 414 D HN 0.237 nan 8.370 nan 0.000 0.465 415 V N 0.728 120.566 119.914 -0.126 0.000 2.358 415 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 415 V C 2.463 178.377 176.094 -0.301 0.000 1.047 415 V CA 1.519 63.720 62.300 -0.165 0.000 1.035 415 V CB -0.504 31.224 31.823 -0.160 0.000 0.658 415 V HN 0.138 nan 8.190 nan 0.000 0.452 416 S N -0.486 115.034 115.700 -0.301 0.000 2.359 416 S HA -0.304 4.166 4.470 -0.000 0.000 0.224 416 S C 1.995 176.187 174.600 -0.681 0.000 1.035 416 S CA 1.750 59.547 58.200 -0.672 0.000 1.018 416 S CB -0.369 62.688 63.200 -0.239 0.000 0.876 416 S HN 0.648 nan 8.310 nan 0.000 0.448 417 Q N 0.230 119.799 119.800 -0.385 0.000 2.077 417 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 417 Q C 2.334 178.243 176.000 -0.151 0.000 0.989 417 Q CA 1.607 57.287 55.803 -0.205 0.000 0.853 417 Q CB -0.413 28.201 28.738 -0.207 0.000 0.907 417 Q HN 0.370 nan 8.270 nan 0.000 0.418 418 V N -0.056 119.743 119.914 -0.191 0.000 2.307 418 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 418 V C 2.217 178.209 176.094 -0.169 0.000 1.045 418 V CA 1.401 63.614 62.300 -0.145 0.000 1.024 418 V CB -0.372 31.375 31.823 -0.128 0.000 0.651 418 V HN 0.189 nan 8.190 nan 0.000 0.449 419 V N -0.580 119.158 119.914 -0.294 0.000 2.343 419 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 419 V C 2.241 178.302 176.094 -0.055 0.000 1.051 419 V CA 1.910 64.042 62.300 -0.279 0.000 1.036 419 V CB -0.773 30.752 31.823 -0.497 0.000 0.654 419 V HN 0.444 nan 8.190 nan 0.000 0.451 420 F N 0.541 120.426 119.950 -0.109 0.000 2.365 420 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 420 F C 2.355 178.134 175.800 -0.035 0.000 1.090 420 F CA 1.219 59.185 58.000 -0.055 0.000 1.408 420 F CB -0.778 38.198 39.000 -0.041 0.000 1.060 420 F HN 0.251 nan 8.300 nan 0.000 0.534 421 E N 0.587 120.862 120.200 0.124 0.000 2.107 421 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 421 E C 2.122 178.752 176.600 0.049 0.000 0.982 421 E CA 0.957 57.395 56.400 0.063 0.000 0.809 421 E CB -0.308 29.403 29.700 0.018 0.000 0.756 421 E HN 0.147 nan 8.360 nan 0.000 0.459 422 V N -0.217 119.723 119.914 0.043 0.000 2.307 422 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 422 V C 2.392 178.571 176.094 0.142 0.000 1.045 422 V CA 1.442 63.773 62.300 0.051 0.000 1.024 422 V CB -0.456 31.345 31.823 -0.037 0.000 0.651 422 V HN 0.162 nan 8.190 nan 0.000 0.449 423 V N -0.009 120.019 119.914 0.190 0.000 2.255 423 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 423 V C 2.429 178.548 176.094 0.041 0.000 1.051 423 V CA 2.313 64.680 62.300 0.111 0.000 1.018 423 V CB -0.672 31.210 31.823 0.099 0.000 0.641 423 V HN 0.528 nan 8.190 nan 0.000 0.445 424 L N 1.381 122.630 121.223 0.044 0.000 2.012 424 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 424 L C 2.751 179.626 176.870 0.007 0.000 1.073 424 L CA 2.527 57.373 54.840 0.010 0.000 0.748 424 L CB -0.788 41.281 42.059 0.016 0.000 0.891 424 L HN 0.482 nan 8.230 nan 0.000 0.431 425 R N -0.526 119.985 120.500 0.019 0.000 2.193 425 R HA -0.105 4.235 4.340 -0.000 0.000 0.229 425 R C 1.621 177.925 176.300 0.007 0.000 1.110 425 R CA 1.658 57.764 56.100 0.010 0.000 0.988 425 R CB -0.726 29.579 30.300 0.008 0.000 0.871 425 R HN 0.478 nan 8.270 nan 0.000 0.458 426 L N 0.608 121.840 121.223 0.015 0.000 2.607 426 L HA 0.321 4.661 4.340 -0.000 0.000 0.228 426 L C 0.644 177.505 176.870 -0.015 0.000 1.123 426 L CA 0.328 55.172 54.840 0.007 0.000 0.890 426 L CB 0.483 42.562 42.059 0.033 0.000 1.103 426 L HN 0.605 nan 8.230 nan 0.000 0.468 427 G N 0.517 109.305 108.800 -0.020 0.000 2.182 427 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.248 427 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.248 427 G C 0.375 175.245 174.900 -0.050 0.000 1.042 427 G CA -0.002 45.078 45.100 -0.034 0.000 0.775 427 G HN 0.502 nan 8.290 nan 0.000 0.501 428 G N -1.081 107.684 108.800 -0.059 0.000 2.613 428 G HA2 0.731 4.691 3.960 -0.000 0.000 0.303 428 G HA3 0.731 4.691 3.960 -0.000 0.000 0.303 428 G C -0.000 174.842 174.900 -0.097 0.000 1.312 428 G CA 0.458 45.503 45.100 -0.091 0.000 1.036 428 G HN 1.195 nan 8.290 nan 0.000 0.513 429 S N -1.133 114.497 115.700 -0.117 0.000 2.472 429 S HA 0.287 4.757 4.470 -0.000 0.000 0.303 429 S C 1.489 176.007 174.600 -0.138 0.000 1.099 429 S CA -0.714 57.413 58.200 -0.122 0.000 1.077 429 S CB 0.908 64.046 63.200 -0.105 0.000 1.031 429 S HN 0.667 nan 8.310 nan 0.000 0.487 430 I N 2.188 122.631 120.570 -0.212 0.000 2.830 430 I HA 0.236 4.406 4.170 -0.000 0.000 0.263 430 I C 0.714 176.756 176.117 -0.124 0.000 1.230 430 I CA 0.352 61.444 61.300 -0.348 0.000 1.480 430 I CB 0.025 37.504 38.000 -0.867 0.000 1.095 430 I HN 0.432 nan 8.210 nan 0.000 0.455 431 S N 0.594 116.239 115.700 -0.091 0.000 2.620 431 S HA 0.701 5.171 4.470 -0.000 0.000 0.244 431 S C 0.597 175.156 174.600 -0.068 0.000 1.192 431 S CA -0.137 58.045 58.200 -0.030 0.000 1.148 431 S CB 1.388 64.589 63.200 0.002 0.000 1.106 431 S HN 0.362 nan 8.310 nan 0.000 0.474 432 A N 3.846 126.603 122.820 -0.106 0.000 1.929 432 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 432 A C 1.594 179.111 177.584 -0.111 0.000 1.176 432 A CA 1.128 53.093 52.037 -0.119 0.000 0.628 432 A CB -0.109 18.800 19.000 -0.152 0.000 0.816 432 A HN 0.782 nan 8.150 nan 0.000 0.444 433 E N -2.485 117.609 120.200 -0.177 0.000 2.713 433 E HA 0.090 4.440 4.350 -0.000 0.000 0.201 433 E C 1.653 178.230 176.600 -0.039 0.000 0.935 433 E CA 0.138 56.456 56.400 -0.138 0.000 1.273 433 E CB -0.038 29.530 29.700 -0.221 0.000 1.221 433 E HN 0.739 nan 8.360 nan 0.000 0.547 434 H N 0.894 119.996 119.070 0.053 0.000 2.456 434 H HA 0.046 4.602 4.556 -0.000 0.000 0.296 434 H C 1.049 176.414 175.328 0.063 0.000 1.079 434 H CA 0.563 56.654 56.048 0.072 0.000 1.322 434 H CB 0.131 29.949 29.762 0.094 0.000 1.388 434 H HN 0.275 nan 8.280 nan 0.000 0.538 435 G N -0.110 108.776 108.800 0.143 0.000 2.660 435 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.247 435 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.247 435 G C 0.226 175.179 174.900 0.088 0.000 1.328 435 G CA -0.199 44.955 45.100 0.090 0.000 0.884 435 G HN 0.083 nan 8.290 nan 0.000 0.531 436 I N 1.322 121.924 120.570 0.054 0.000 2.499 436 I HA 0.261 4.431 4.170 -0.000 0.000 0.243 436 I C 2.712 178.855 176.117 0.042 0.000 1.085 436 I CA 2.525 63.850 61.300 0.042 0.000 1.422 436 I CB -1.880 36.127 38.000 0.012 0.000 1.165 436 I HN 2.145 nan 8.210 nan 0.000 0.440 437 G N 1.804 110.620 108.800 0.027 0.000 2.634 437 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.309 437 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.309 437 G C 0.285 175.163 174.900 -0.036 0.000 1.265 437 G CA 0.520 45.622 45.100 0.003 0.000 0.998 437 G HN 0.233 nan 8.290 nan 0.000 0.551 441 R N 1.581 122.098 120.500 0.028 0.000 2.066 441 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 441 R C 0.974 177.278 176.300 0.007 0.000 1.131 441 R CA 2.161 58.263 56.100 0.004 0.000 0.955 441 R CB 0.156 30.448 30.300 -0.015 0.000 0.851 441 R HN 0.087 nan 8.270 nan 0.000 0.432 442 D N 0.109 120.524 120.400 0.025 0.000 2.097 442 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 442 D C 1.745 178.064 176.300 0.031 0.000 0.984 442 D CA 1.176 55.194 54.000 0.030 0.000 0.826 442 D CB -0.235 40.594 40.800 0.048 0.000 0.973 442 D HN 0.237 nan 8.370 nan 0.000 0.460 443 E N 0.236 120.462 120.200 0.043 0.000 2.153 443 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 443 E C 1.872 178.444 176.600 -0.046 0.000 0.988 443 E CA 0.336 56.743 56.400 0.011 0.000 0.811 443 E CB -0.265 29.436 29.700 0.002 0.000 0.746 443 E HN 0.135 nan 8.360 nan 0.000 0.466 444 L N 0.141 121.338 121.223 -0.042 0.000 2.046 444 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 444 L C 2.143 178.990 176.870 -0.038 0.000 1.077 444 L CA 2.195 57.003 54.840 -0.052 0.000 0.747 444 L CB -1.060 40.976 42.059 -0.039 0.000 0.896 444 L HN 0.161 nan 8.230 nan 0.000 0.432 445 A N -0.842 121.965 122.820 -0.022 0.000 1.978 445 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 445 A C 2.138 179.713 177.584 -0.015 0.000 1.170 445 A CA 1.905 53.932 52.037 -0.016 0.000 0.636 445 A CB -0.549 18.446 19.000 -0.007 0.000 0.810 445 A HN 0.648 nan 8.150 nan 0.000 0.448 446 E N -0.486 119.707 120.200 -0.011 0.000 2.051 446 E HA -0.092 4.258 4.350 -0.000 0.000 0.189 446 E C 2.085 178.672 176.600 -0.021 0.000 0.979 446 E CA 1.491 57.887 56.400 -0.006 0.000 0.803 446 E CB -0.273 29.433 29.700 0.010 0.000 0.761 446 E HN 0.625 nan 8.360 nan 0.000 0.451 447 V N -0.347 119.542 119.914 -0.041 0.000 2.878 447 V HA 0.066 4.186 4.120 -0.000 0.000 0.250 447 V C 0.968 177.032 176.094 -0.051 0.000 1.075 447 V CA 0.223 62.490 62.300 -0.054 0.000 1.096 447 V CB -0.187 31.580 31.823 -0.093 0.000 0.724 447 V HN -0.088 nan 8.190 nan 0.000 0.467 448 K N 2.182 122.552 120.400 -0.050 0.000 2.258 448 K HA 0.135 4.455 4.320 -0.000 0.000 0.264 448 K C -0.080 176.498 176.600 -0.036 0.000 1.007 448 K CA 0.123 56.383 56.287 -0.046 0.000 0.941 448 K CB 0.373 32.846 32.500 -0.045 0.000 0.966 448 K HN 0.568 nan 8.250 nan 0.000 0.480 449 D N 1.938 122.316 120.400 -0.036 0.000 2.531 449 D HA -0.072 4.568 4.640 -0.000 0.000 0.239 449 D C 0.872 177.155 176.300 -0.029 0.000 1.144 449 D CA 0.641 54.623 54.000 -0.031 0.000 0.869 449 D CB 0.704 41.484 40.800 -0.032 0.000 1.160 449 D HN 0.534 nan 8.370 nan 0.000 0.484 450 K N 1.942 122.327 120.400 -0.024 0.000 2.063 450 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 450 K C 1.539 178.125 176.600 -0.024 0.000 1.048 450 K CA 1.706 57.980 56.287 -0.022 0.000 0.928 450 K CB -0.010 32.479 32.500 -0.018 0.000 0.713 450 K HN 0.516 nan 8.250 nan 0.000 0.442 451 T N 0.579 115.118 114.554 -0.025 0.000 2.777 451 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 451 T C 1.815 176.495 174.700 -0.033 0.000 1.040 451 T CA 1.150 63.234 62.100 -0.028 0.000 1.141 451 T CB -0.294 68.558 68.868 -0.028 0.000 0.868 451 T HN 0.430 nan 8.240 nan 0.000 0.444 452 A N 1.190 123.989 122.820 -0.035 0.000 1.883 452 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 452 A C 2.244 179.805 177.584 -0.039 0.000 1.186 452 A CA 1.466 53.479 52.037 -0.040 0.000 0.624 452 A CB -0.820 18.156 19.000 -0.040 0.000 0.822 452 A HN 0.429 nan 8.150 nan 0.000 0.444 453 I N 0.021 120.570 120.570 -0.035 0.000 2.315 453 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 453 I C 2.239 178.337 176.117 -0.031 0.000 1.117 453 I CA 1.700 62.980 61.300 -0.032 0.000 1.404 453 I CB -0.309 37.675 38.000 -0.028 0.000 1.071 453 I HN 0.458 nan 8.210 nan 0.000 0.419 454 E N -0.052 120.131 120.200 -0.029 0.000 2.077 454 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 454 E C 1.094 177.675 176.600 -0.032 0.000 0.989 454 E CA 0.641 57.025 56.400 -0.027 0.000 0.800 454 E CB -0.168 29.518 29.700 -0.024 0.000 0.746 454 E HN 0.396 nan 8.360 nan 0.000 0.452 458 S N 1.340 117.021 115.700 -0.031 0.000 2.368 458 S HA -0.015 4.455 4.470 -0.000 0.000 0.224 458 S C 1.846 176.425 174.600 -0.036 0.000 1.029 458 S CA 1.268 59.450 58.200 -0.030 0.000 0.988 458 S CB -0.050 63.132 63.200 -0.031 0.000 0.838 458 S HN 0.172 nan 8.310 nan 0.000 0.462 459 I N 1.425 121.966 120.570 -0.049 0.000 2.226 459 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 459 I C 2.498 178.581 176.117 -0.056 0.000 1.100 459 I CA 1.175 62.438 61.300 -0.062 0.000 1.374 459 I CB -0.259 37.688 38.000 -0.090 0.000 1.057 459 I HN 0.178 nan 8.210 nan 0.000 0.413 460 K N 1.876 122.246 120.400 -0.050 0.000 2.032 460 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 460 K C 2.027 178.613 176.600 -0.024 0.000 1.048 460 K CA 2.021 58.287 56.287 -0.035 0.000 0.927 460 K CB -0.539 31.944 32.500 -0.029 0.000 0.712 460 K HN 0.266 nan 8.250 nan 0.000 0.441 461 A N 0.434 123.241 122.820 -0.023 0.000 1.972 461 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 461 A C 2.103 179.672 177.584 -0.026 0.000 1.169 461 A CA 1.586 53.612 52.037 -0.018 0.000 0.635 461 A CB -0.642 18.350 19.000 -0.013 0.000 0.810 461 A HN 0.393 nan 8.150 nan 0.000 0.446 462 L N -1.153 120.055 121.223 -0.026 0.000 2.044 462 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 462 L C 1.922 178.779 176.870 -0.022 0.000 1.075 462 L CA 1.678 56.504 54.840 -0.023 0.000 0.747 462 L CB -0.501 41.547 42.059 -0.019 0.000 0.903 462 L HN 0.229 nan 8.230 nan 0.000 0.435 463 L N -0.811 120.404 121.223 -0.014 0.000 2.270 463 L HA 0.110 4.450 4.340 -0.000 0.000 0.210 463 L C 0.538 177.407 176.870 -0.001 0.000 1.104 463 L CA 0.974 55.820 54.840 0.010 0.000 0.804 463 L CB -0.603 41.477 42.059 0.035 0.000 0.937 463 L HN 0.329 nan 8.230 nan 0.000 0.450 464 D N -0.999 119.390 120.400 -0.019 0.000 2.739 464 D HA 0.174 4.814 4.640 -0.000 0.000 0.335 464 D C -1.733 174.537 176.300 -0.050 0.000 1.216 464 D CA -1.655 52.330 54.000 -0.025 0.000 0.808 464 D CB 0.740 41.545 40.800 0.008 0.000 1.121 464 D HN -0.053 nan 8.370 nan 0.000 0.499 465 P HA -0.146 nan 4.420 nan 0.000 0.219 465 P C 0.574 177.858 177.300 -0.026 0.000 1.146 465 P CA 1.227 64.254 63.100 -0.122 0.000 0.808 465 P CB 0.008 31.567 31.700 -0.235 0.000 0.779 466 H N -1.548 117.534 119.070 0.020 0.000 2.529 466 H HA 0.346 4.902 4.556 -0.000 0.000 0.277 466 H C 1.043 176.383 175.328 0.020 0.000 1.004 466 H CA -0.066 55.995 56.048 0.020 0.000 1.167 466 H CB -0.285 29.491 29.762 0.024 0.000 1.445 466 H HN 0.107 nan 8.280 nan 0.000 0.554 467 G N 2.215 111.078 108.800 0.104 0.000 2.356 467 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.296 467 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.296 467 G C 0.316 175.255 174.900 0.065 0.000 1.022 467 G CA 0.825 45.965 45.100 0.066 0.000 0.961 467 G HN 0.604 nan 8.290 nan 0.000 0.510 471 P HA 0.263 nan 4.420 nan 0.000 0.269 471 P C 0.904 178.204 177.300 -0.000 0.000 1.215 471 P CA 0.947 64.053 63.100 0.009 0.000 0.780 471 P CB 0.555 32.264 31.700 0.015 0.000 0.898 472 G N 0.681 109.475 108.800 -0.011 0.000 2.148 472 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 472 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 472 G C -0.110 174.762 174.900 -0.047 0.000 0.981 472 G CA 0.088 45.169 45.100 -0.032 0.000 0.670 472 G HN 0.638 nan 8.290 nan 0.000 0.528 473 K N -0.643 119.740 120.400 -0.028 0.000 2.318 473 K HA 0.726 5.046 4.320 -0.000 0.000 0.249 473 K C 1.333 177.923 176.600 -0.017 0.000 0.942 473 K CA -0.576 55.694 56.287 -0.028 0.000 0.808 473 K CB 2.968 35.460 32.500 -0.013 0.000 1.189 473 K HN 0.478 nan 8.250 nan 0.000 0.428 474 V N -1.003 118.902 119.914 -0.016 0.000 0.614 474 V HA -0.395 3.725 4.120 -0.000 0.000 0.092 474 V C 0.552 176.635 176.094 -0.018 0.000 1.640 474 V CA 1.958 64.250 62.300 -0.013 0.000 3.331 474 V CB -2.008 29.809 31.823 -0.010 0.000 0.607 474 V HN 0.726 nan 8.190 nan 0.000 0.622 475 V N 0.000 119.903 119.914 -0.018 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 475 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556