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_B 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 0.000 174.726 174.700 0.043 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 2.764 124.018 121.223 0.052 0.000 2.416 12 L HA 0.571 4.911 4.340 -0.000 0.000 0.272 12 L C 1.124 178.028 176.870 0.055 0.000 1.161 12 L CA 0.273 55.152 54.840 0.065 0.000 0.845 12 L CB 0.692 42.800 42.059 0.081 0.000 1.119 12 L HN 0.942 nan 8.230 nan 0.000 0.464 13 S N 4.669 120.399 115.700 0.051 0.000 2.592 13 S HA 0.404 4.874 4.470 -0.000 0.000 0.271 13 S C -1.809 172.812 174.600 0.035 0.000 1.326 13 S CA -0.829 57.391 58.200 0.034 0.000 1.024 13 S CB 0.724 63.935 63.200 0.019 0.000 0.921 13 S HN 0.635 nan 8.310 nan 0.000 0.527 14 P HA -0.124 nan 4.420 nan 0.000 0.216 14 P C 1.490 178.796 177.300 0.010 0.000 1.150 14 P CA 1.408 64.519 63.100 0.019 0.000 0.837 14 P CB 0.018 31.724 31.700 0.011 0.000 0.786 15 E N 0.130 120.328 120.200 -0.003 0.000 2.033 15 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 15 E C 1.884 178.456 176.600 -0.047 0.000 1.011 15 E CA 1.535 57.921 56.400 -0.025 0.000 0.815 15 E CB -1.234 28.448 29.700 -0.030 0.000 0.755 15 E HN 0.119 nan 8.360 nan 0.000 0.451 16 L N 0.021 121.221 121.223 -0.038 0.000 2.056 16 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 16 L C 2.660 179.533 176.870 0.006 0.000 1.078 16 L CA 1.002 55.789 54.840 -0.089 0.000 0.749 16 L CB -0.410 41.648 42.059 -0.001 0.000 0.901 16 L HN 0.236 nan 8.230 nan 0.000 0.433 17 I N 0.062 120.697 120.570 0.110 0.000 2.208 17 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 17 I C 2.816 178.994 176.117 0.101 0.000 1.097 17 I CA 1.292 62.688 61.300 0.160 0.000 1.363 17 I CB -0.469 37.589 38.000 0.096 0.000 1.051 17 I HN 0.225 nan 8.210 nan 0.000 0.413 18 A N 0.846 123.686 122.820 0.033 0.000 1.902 18 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 18 A C 2.399 179.976 177.584 -0.012 0.000 1.181 18 A CA 1.505 53.548 52.037 0.010 0.000 0.623 18 A CB -0.529 18.467 19.000 -0.008 0.000 0.818 18 A HN 0.339 nan 8.150 nan 0.000 0.443 19 R N -1.812 118.639 120.500 -0.081 0.000 2.073 19 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 19 R C 1.862 178.087 176.300 -0.126 0.000 1.120 19 R CA 1.426 57.436 56.100 -0.149 0.000 0.967 19 R CB -0.471 29.674 30.300 -0.260 0.000 0.862 19 R HN 0.518 nan 8.270 nan 0.000 0.436 20 F N 0.942 120.891 119.950 -0.002 0.000 2.134 20 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 20 F C 2.581 178.380 175.800 -0.000 0.000 1.097 20 F CA 1.338 59.337 58.000 -0.003 0.000 1.264 20 F CB -0.953 38.043 39.000 -0.008 0.000 1.001 20 F HN -0.043 nan 8.300 nan 0.000 0.479 21 T N -0.010 114.653 114.554 0.181 0.000 2.684 21 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 21 T C 2.309 177.054 174.700 0.075 0.000 1.036 21 T CA 1.526 63.688 62.100 0.103 0.000 1.148 21 T CB -0.768 68.139 68.868 0.064 0.000 0.863 21 T HN 0.293 nan 8.240 nan 0.000 0.436 22 A N 0.951 123.801 122.820 0.050 0.000 1.940 22 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 22 A C 2.283 179.894 177.584 0.045 0.000 1.176 22 A CA 1.329 53.386 52.037 0.033 0.000 0.631 22 A CB -0.832 18.172 19.000 0.007 0.000 0.814 22 A HN 0.553 nan 8.150 nan 0.000 0.446 23 I N -0.047 120.559 120.570 0.061 0.000 2.179 23 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 23 I C 2.343 178.503 176.117 0.071 0.000 1.088 23 I CA 1.843 63.182 61.300 0.065 0.000 1.357 23 I CB -0.197 37.860 38.000 0.094 0.000 1.051 23 I HN 0.353 nan 8.210 nan 0.000 0.409 24 V N -1.653 118.317 119.914 0.092 0.000 3.354 24 V HA 0.481 4.601 4.120 -0.000 0.000 0.258 24 V C 0.880 177.081 176.094 0.179 0.000 1.159 24 V CA 0.215 62.578 62.300 0.104 0.000 1.125 24 V CB -0.857 31.026 31.823 0.100 0.000 0.774 24 V HN 0.519 nan 8.190 nan 0.000 0.464 25 G N 2.096 110.971 108.800 0.126 0.000 2.895 25 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 25 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 25 G C 0.090 175.014 174.900 0.039 0.000 1.108 25 G CA 0.110 45.270 45.100 0.099 0.000 0.761 25 G HN 0.647 nan 8.290 nan 0.000 0.611 26 D N 1.176 121.569 120.400 -0.012 0.000 2.263 26 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 26 D C 1.692 177.930 176.300 -0.104 0.000 0.971 26 D CA 1.434 55.413 54.000 -0.035 0.000 0.867 26 D CB 0.002 40.785 40.800 -0.028 0.000 0.929 26 D HN 0.659 nan 8.370 nan 0.000 0.492 27 K N -0.655 119.605 120.400 -0.233 0.000 2.362 27 K HA -0.075 4.245 4.320 -0.000 0.000 0.200 27 K C 0.758 177.094 176.600 -0.440 0.000 1.046 27 K CA 0.770 56.832 56.287 -0.376 0.000 0.952 27 K CB -0.108 32.071 32.500 -0.535 0.000 0.753 27 K HN 0.463 nan 8.250 nan 0.000 0.466 28 H N -1.291 117.778 119.070 -0.003 0.000 2.528 28 H HA 0.331 4.887 4.556 -0.000 0.000 0.282 28 H C -0.609 174.697 175.328 -0.036 0.000 1.097 28 H CA -0.415 55.625 56.048 -0.014 0.000 1.121 28 H CB 1.040 30.797 29.762 -0.008 0.000 1.590 28 H HN 0.015 nan 8.280 nan 0.000 0.553 29 A N 1.882 124.714 122.820 0.021 0.000 2.409 29 A HA 0.454 4.774 4.320 -0.000 0.000 0.300 29 A C -0.732 176.833 177.584 -0.032 0.000 1.273 29 A CA -0.619 51.415 52.037 -0.006 0.000 0.774 29 A CB 0.253 19.267 19.000 0.023 0.000 1.144 29 A HN 0.264 nan 8.150 nan 0.000 0.472 30 L N 2.564 123.746 121.223 -0.068 0.000 2.292 30 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 30 L C 1.203 178.044 176.870 -0.047 0.000 1.065 30 L CA -0.173 54.632 54.840 -0.057 0.000 0.806 30 L CB 1.613 43.623 42.059 -0.083 0.000 1.175 30 L HN 0.864 nan 8.230 nan 0.000 0.431 31 T N -3.849 110.695 114.554 -0.017 0.000 3.009 31 T HA 0.050 4.400 4.350 -0.000 0.000 0.267 31 T C 0.232 174.937 174.700 0.007 0.000 0.942 31 T CA -0.424 61.673 62.100 -0.005 0.000 0.883 31 T CB 0.152 69.022 68.868 0.003 0.000 1.192 31 T HN 0.416 nan 8.240 nan 0.000 0.524 32 D N 3.095 123.502 120.400 0.011 0.000 2.383 32 D HA 0.258 4.898 4.640 -0.000 0.000 0.252 32 D C -1.568 174.749 176.300 0.028 0.000 1.166 32 D CA -2.244 51.767 54.000 0.018 0.000 0.879 32 D CB 1.752 42.562 40.800 0.018 0.000 1.164 32 D HN -0.042 nan 8.370 nan 0.000 0.462 33 P HA -0.123 nan 4.420 nan 0.000 0.217 33 P C 1.539 178.865 177.300 0.042 0.000 1.148 33 P CA 1.006 64.127 63.100 0.035 0.000 0.828 33 P CB 0.172 31.889 31.700 0.027 0.000 0.783 34 L N -0.765 120.480 121.223 0.036 0.000 2.131 34 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 34 L C 2.269 179.172 176.870 0.054 0.000 1.092 34 L CA 1.529 56.391 54.840 0.037 0.000 0.759 34 L CB -0.821 41.254 42.059 0.027 0.000 0.903 34 L HN 0.052 nan 8.230 nan 0.000 0.435 35 E N 0.045 120.285 120.200 0.067 0.000 2.170 35 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 35 E C 2.320 179.032 176.600 0.187 0.000 0.981 35 E CA 0.610 57.076 56.400 0.109 0.000 0.830 35 E CB 0.032 29.784 29.700 0.088 0.000 0.775 35 E HN 0.445 nan 8.360 nan 0.000 0.470 36 L N 1.010 122.315 121.223 0.136 0.000 2.201 36 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 36 L C 2.435 179.413 176.870 0.180 0.000 1.105 36 L CA 0.633 55.573 54.840 0.167 0.000 0.775 36 L CB -0.172 41.934 42.059 0.077 0.000 0.913 36 L HN 0.087 nan 8.230 nan 0.000 0.440 37 E N 1.134 121.400 120.200 0.109 0.000 2.114 37 E HA -0.265 4.085 4.350 -0.000 0.000 0.199 37 E C 2.085 178.704 176.600 0.032 0.000 1.008 37 E CA 1.751 58.189 56.400 0.062 0.000 0.810 37 E CB -0.091 29.631 29.700 0.037 0.000 0.739 37 E HN 0.401 nan 8.360 nan 0.000 0.456 38 A N -1.276 121.542 122.820 -0.003 0.000 2.119 38 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 38 A C 1.375 178.786 177.584 -0.288 0.000 1.153 38 A CA 1.073 53.002 52.037 -0.179 0.000 0.692 38 A CB -0.463 18.352 19.000 -0.309 0.000 0.799 38 A HN 0.428 nan 8.150 nan 0.000 0.458 39 Y N -0.740 119.553 120.300 -0.012 0.000 2.507 39 Y HA 0.222 4.772 4.550 -0.000 0.000 0.263 39 Y C 1.807 177.683 175.900 -0.040 0.000 1.093 39 Y CA 0.329 58.415 58.100 -0.024 0.000 1.285 39 Y CB 0.072 38.517 38.460 -0.026 0.000 1.115 39 Y HN 0.390 nan 8.280 nan 0.000 0.533 40 I N -2.390 118.243 120.570 0.104 0.000 3.812 40 I HA 0.273 4.443 4.170 -0.000 0.000 0.320 40 I C 0.257 176.372 176.117 -0.002 0.000 1.276 40 I CA 0.533 61.848 61.300 0.025 0.000 1.164 40 I CB 0.358 38.378 38.000 0.034 0.000 1.009 40 I HN -0.017 nan 8.210 nan 0.000 0.431 41 T N 1.315 115.871 114.554 0.002 0.000 2.932 41 T HA 0.427 4.777 4.350 -0.000 0.000 0.318 41 T C -1.410 173.286 174.700 -0.007 0.000 1.265 41 T CA -0.544 61.558 62.100 0.003 0.000 1.036 41 T CB 1.828 70.701 68.868 0.010 0.000 1.209 41 T HN 0.523 nan 8.240 nan 0.000 0.484 42 E N 2.639 122.844 120.200 0.008 0.000 2.222 42 E HA 0.434 4.784 4.350 -0.000 0.000 0.267 42 E C 1.268 177.867 176.600 -0.002 0.000 0.963 42 E CA -0.802 55.599 56.400 0.002 0.000 0.837 42 E CB 0.709 30.422 29.700 0.021 0.000 1.183 42 E HN 0.561 nan 8.360 nan 0.000 0.403 43 E N 2.755 122.951 120.200 -0.007 0.000 2.147 43 E HA -0.320 4.030 4.350 -0.000 0.000 0.199 43 E C 0.758 177.358 176.600 0.000 0.000 1.005 43 E CA 1.477 57.875 56.400 -0.004 0.000 0.810 43 E CB -0.347 29.352 29.700 -0.001 0.000 0.736 43 E HN 0.604 nan 8.360 nan 0.000 0.460 44 R N 1.073 121.575 120.500 0.003 0.000 2.541 44 R HA 0.083 4.423 4.340 -0.000 0.000 0.245 44 R C -0.126 176.159 176.300 -0.025 0.000 1.154 44 R CA 0.195 56.294 56.100 -0.001 0.000 1.179 44 R CB -0.484 29.820 30.300 0.007 0.000 1.189 44 R HN 0.126 nan 8.270 nan 0.000 0.526 45 N N 0.674 119.362 118.700 -0.021 0.000 2.651 45 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 45 N C 0.621 176.077 175.510 -0.089 0.000 1.054 45 N CA 0.711 53.740 53.050 -0.034 0.000 0.765 45 N CB -1.108 37.361 38.487 -0.029 0.000 0.988 45 N HN 0.375 nan 8.380 nan 0.000 0.543 46 L N -2.265 118.884 121.223 -0.123 0.000 2.017 46 L HA -0.104 4.235 4.340 -0.000 0.000 0.208 46 L C 0.313 176.883 176.870 -0.501 0.000 1.073 46 L CA 1.412 56.052 54.840 -0.333 0.000 0.745 46 L CB -0.178 41.697 42.059 -0.307 0.000 0.894 46 L HN 0.215 nan 8.230 nan 0.000 0.432 47 Y N -1.905 118.394 120.300 -0.001 0.000 2.545 47 Y HA 0.542 5.092 4.550 -0.000 0.000 0.348 47 Y C -0.151 175.752 175.900 0.005 0.000 1.002 47 Y CA -1.125 56.997 58.100 0.037 0.000 1.039 47 Y CB 1.529 40.076 38.460 0.145 0.000 1.271 47 Y HN -0.178 nan 8.280 nan 0.000 0.467 48 R N 1.266 121.875 120.500 0.182 0.000 2.467 48 R HA 0.587 4.927 4.340 -0.000 0.000 0.299 48 R C -0.299 176.054 176.300 0.088 0.000 1.120 48 R CA -0.308 55.848 56.100 0.094 0.000 0.940 48 R CB 0.611 30.954 30.300 0.072 0.000 1.161 48 R HN 0.953 nan 8.270 nan 0.000 0.506 49 G N 1.868 110.661 108.800 -0.011 0.000 2.510 49 G HA2 0.304 4.264 3.960 -0.000 0.000 0.280 49 G HA3 0.304 4.264 3.960 -0.000 0.000 0.280 49 G C -0.861 174.059 174.900 0.033 0.000 1.386 49 G CA -0.354 44.691 45.100 -0.091 0.000 1.047 49 G HN 0.769 nan 8.290 nan 0.000 0.527 50 H N -2.468 116.584 119.070 -0.030 0.000 2.954 50 H HA 0.678 5.234 4.556 -0.000 0.000 0.361 50 H C -1.709 173.609 175.328 -0.016 0.000 1.122 50 H CA -0.670 55.372 56.048 -0.009 0.000 1.217 50 H CB 1.419 31.185 29.762 0.007 0.000 1.776 50 H HN 0.598 nan 8.280 nan 0.000 0.533 51 S N 2.459 118.209 115.700 0.083 0.000 2.541 51 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 51 S C -2.281 172.341 174.600 0.038 0.000 1.133 51 S CA -1.131 57.084 58.200 0.024 0.000 0.876 51 S CB 1.998 65.178 63.200 -0.034 0.000 1.105 51 S HN 0.650 nan 8.310 nan 0.000 0.470 52 P HA 0.338 nan 4.420 nan 0.000 0.257 52 P C -0.485 176.810 177.300 -0.008 0.000 1.241 52 P CA 0.096 63.208 63.100 0.020 0.000 0.816 52 P CB 0.137 31.857 31.700 0.034 0.000 1.150 53 L N -0.656 120.538 121.223 -0.048 0.000 2.611 53 L HA 0.353 4.693 4.340 -0.000 0.000 0.260 53 L C -1.677 175.098 176.870 -0.159 0.000 0.924 53 L CA -0.822 53.966 54.840 -0.087 0.000 0.901 53 L CB 2.363 44.375 42.059 -0.079 0.000 1.369 53 L HN -0.410 nan 8.230 nan 0.000 0.415 54 V N 5.717 125.509 119.914 -0.203 0.000 2.409 54 V HA 0.548 4.668 4.120 -0.000 0.000 0.291 54 V C -0.294 175.640 176.094 -0.267 0.000 1.020 54 V CA -0.454 61.650 62.300 -0.327 0.000 0.848 54 V CB 1.658 33.106 31.823 -0.625 0.000 0.990 54 V HN 0.597 nan 8.190 nan 0.000 0.430 55 L N 5.826 126.910 121.223 -0.233 0.000 2.317 55 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 55 L C 0.208 177.007 176.870 -0.119 0.000 1.024 55 L CA -0.633 54.121 54.840 -0.143 0.000 0.810 55 L CB 1.702 43.679 42.059 -0.136 0.000 1.240 55 L HN 0.541 nan 8.230 nan 0.000 0.427 56 R N 3.253 123.723 120.500 -0.051 0.000 2.664 56 R HA 0.299 4.639 4.340 -0.000 0.000 0.281 56 R C -2.509 173.758 176.300 -0.054 0.000 1.383 56 R CA -1.664 54.417 56.100 -0.032 0.000 1.563 56 R CB 0.570 30.881 30.300 0.020 0.000 1.131 56 R HN 0.329 nan 8.270 nan 0.000 0.599 57 P HA 0.033 nan 4.420 nan 0.000 0.272 57 P C 0.334 177.576 177.300 -0.096 0.000 1.223 57 P CA 0.051 63.114 63.100 -0.062 0.000 0.784 57 P CB 1.187 32.866 31.700 -0.034 0.000 0.923 58 G N -0.187 108.546 108.800 -0.113 0.000 3.159 58 G HA2 0.284 4.243 3.960 -0.000 0.000 0.232 58 G HA3 0.284 4.243 3.960 -0.000 0.000 0.232 58 G C 0.044 174.901 174.900 -0.071 0.000 1.116 58 G CA 0.112 45.141 45.100 -0.119 0.000 0.767 58 G HN 0.744 nan 8.290 nan 0.000 0.547 59 S N -2.548 113.122 115.700 -0.051 0.000 2.587 59 S HA 0.360 4.830 4.470 -0.000 0.000 0.269 59 S C 0.648 175.231 174.600 -0.029 0.000 1.154 59 S CA 0.185 58.363 58.200 -0.037 0.000 0.824 59 S CB 1.115 64.297 63.200 -0.030 0.000 1.118 59 S HN -0.141 nan 8.310 nan 0.000 0.462 60 T N 1.065 115.603 114.554 -0.027 0.000 2.833 60 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 60 T C 1.519 176.209 174.700 -0.016 0.000 1.054 60 T CA 1.845 63.930 62.100 -0.025 0.000 1.135 60 T CB -0.510 68.339 68.868 -0.030 0.000 0.869 60 T HN 0.756 nan 8.240 nan 0.000 0.466 61 E N 0.985 121.177 120.200 -0.013 0.000 2.077 61 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 61 E C 2.022 178.623 176.600 0.003 0.000 0.989 61 E CA 1.133 57.529 56.400 -0.006 0.000 0.800 61 E CB 0.024 29.720 29.700 -0.006 0.000 0.746 61 E HN 0.589 nan 8.360 nan 0.000 0.452 62 E N -0.183 120.018 120.200 0.002 0.000 2.107 62 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 62 E C 2.183 178.797 176.600 0.023 0.000 0.982 62 E CA 0.993 57.401 56.400 0.015 0.000 0.809 62 E CB 0.202 29.906 29.700 0.006 0.000 0.756 62 E HN 0.146 nan 8.360 nan 0.000 0.459 63 V N 0.991 120.909 119.914 0.006 0.000 2.407 63 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 63 V C 2.287 178.393 176.094 0.020 0.000 1.055 63 V CA 1.160 63.464 62.300 0.007 0.000 1.049 63 V CB -0.246 31.570 31.823 -0.011 0.000 0.662 63 V HN 0.131 nan 8.190 nan 0.000 0.455 64 V N 0.267 120.190 119.914 0.014 0.000 2.358 64 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 64 V C 2.689 178.805 176.094 0.037 0.000 1.047 64 V CA 1.989 64.300 62.300 0.019 0.000 1.035 64 V CB -1.011 30.817 31.823 0.008 0.000 0.658 64 V HN 0.560 nan 8.190 nan 0.000 0.452 65 A N -0.120 122.724 122.820 0.040 0.000 1.902 65 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 65 A C 2.176 179.816 177.584 0.094 0.000 1.181 65 A CA 1.873 53.940 52.037 0.050 0.000 0.623 65 A CB -0.523 18.502 19.000 0.041 0.000 0.818 65 A HN 0.498 nan 8.150 nan 0.000 0.443 66 I N -0.631 120.020 120.570 0.134 0.000 2.142 66 I HA -0.340 3.830 4.170 -0.000 0.000 0.240 66 I C 2.555 178.811 176.117 0.232 0.000 1.078 66 I CA 1.307 62.759 61.300 0.254 0.000 1.343 66 I CB -0.512 37.580 38.000 0.153 0.000 1.046 66 I HN 0.380 nan 8.210 nan 0.000 0.405 67 C N 0.793 120.166 119.300 0.122 0.000 2.413 67 C HA -0.162 4.298 4.460 -0.000 0.000 0.276 67 C C 2.770 177.822 174.990 0.104 0.000 1.248 67 C CA 0.872 59.950 59.018 0.099 0.000 1.742 67 C CB -0.974 26.800 27.740 0.057 0.000 2.017 67 C HN 0.422 nan 8.230 nan 0.000 0.481 68 K N 0.228 120.677 120.400 0.082 0.000 2.057 68 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 68 K C 1.897 178.536 176.600 0.065 0.000 1.049 68 K CA 1.209 57.534 56.287 0.064 0.000 0.931 68 K CB -0.419 32.104 32.500 0.039 0.000 0.714 68 K HN 0.338 nan 8.250 nan 0.000 0.440 69 L N 1.061 122.322 121.223 0.063 0.000 2.027 69 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 69 L C 2.199 179.118 176.870 0.080 0.000 1.074 69 L CA 1.836 56.674 54.840 -0.003 0.000 0.745 69 L CB -0.792 41.165 42.059 -0.170 0.000 0.898 69 L HN 0.117 nan 8.230 nan 0.000 0.433 70 A N -0.366 122.604 122.820 0.249 0.000 1.908 70 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 70 A C 2.215 179.898 177.584 0.165 0.000 1.181 70 A CA 2.050 54.260 52.037 0.288 0.000 0.627 70 A CB -1.071 18.082 19.000 0.255 0.000 0.818 70 A HN 0.627 nan 8.150 nan 0.000 0.445 71 N N -0.399 118.389 118.700 0.147 0.000 2.120 71 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 71 N C 1.765 177.360 175.510 0.142 0.000 1.024 71 N CA 1.783 54.940 53.050 0.179 0.000 0.852 71 N CB -0.243 38.347 38.487 0.172 0.000 1.003 71 N HN 0.677 nan 8.380 nan 0.000 0.424 72 E N -0.576 119.672 120.200 0.080 0.000 2.028 72 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 72 E C 1.388 177.980 176.600 -0.013 0.000 0.988 72 E CA 1.183 57.596 56.400 0.022 0.000 0.799 72 E CB -0.212 29.492 29.700 0.006 0.000 0.755 72 E HN 0.421 nan 8.360 nan 0.000 0.447 73 A N 0.375 123.199 122.820 0.008 0.000 2.238 73 A HA 0.047 4.367 4.320 -0.000 0.000 0.208 73 A C 0.258 177.853 177.584 0.019 0.000 1.177 73 A CA 0.166 52.205 52.037 0.004 0.000 0.804 73 A CB 0.003 19.006 19.000 0.005 0.000 0.823 73 A HN 0.233 nan 8.150 nan 0.000 0.482 74 R N -1.562 118.955 120.500 0.028 0.000 3.332 74 R HA -0.122 4.218 4.340 -0.000 0.000 0.263 74 R C -0.840 175.498 176.300 0.064 0.000 1.053 74 R CA 0.742 56.861 56.100 0.032 0.000 0.705 74 R CB -3.065 27.226 30.300 -0.016 0.000 1.166 74 R HN 0.276 nan 8.270 nan 0.000 0.427 75 V N 0.728 120.705 119.914 0.104 0.000 2.370 75 V HA 0.610 4.730 4.120 -0.000 0.000 0.279 75 V C 1.065 177.204 176.094 0.075 0.000 1.029 75 V CA -0.477 61.889 62.300 0.111 0.000 0.870 75 V CB 1.839 33.790 31.823 0.212 0.000 0.984 75 V HN 0.464 nan 8.190 nan 0.000 0.451 76 A N 6.622 129.465 122.820 0.039 0.000 2.440 76 A HA 0.697 5.017 4.320 -0.000 0.000 0.251 76 A C -0.417 177.153 177.584 -0.022 0.000 1.089 76 A CA -0.139 51.908 52.037 0.017 0.000 0.779 76 A CB 0.108 19.115 19.000 0.011 0.000 1.022 76 A HN 0.804 nan 8.150 nan 0.000 0.492 77 L N 2.274 123.482 121.223 -0.025 0.000 2.334 77 L HA 0.605 4.944 4.340 -0.000 0.000 0.273 77 L C -0.826 176.018 176.870 -0.043 0.000 1.013 77 L CA -0.941 53.862 54.840 -0.060 0.000 0.816 77 L CB 2.056 44.082 42.059 -0.054 0.000 1.278 77 L HN 0.380 nan 8.230 nan 0.000 0.431 78 V N 2.814 122.693 119.914 -0.059 0.000 2.380 78 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 78 V C -2.301 173.774 176.094 -0.033 0.000 1.015 78 V CA -1.604 60.673 62.300 -0.039 0.000 0.834 78 V CB 1.639 33.431 31.823 -0.051 0.000 1.009 78 V HN 0.566 nan 8.190 nan 0.000 0.428 79 P HA 0.327 nan 4.420 nan 0.000 0.275 79 P C -0.877 176.429 177.300 0.011 0.000 1.228 79 P CA -0.144 62.953 63.100 -0.004 0.000 0.786 79 P CB 0.619 32.324 31.700 0.009 0.000 0.927 80 Q N 1.076 120.889 119.800 0.022 0.000 2.320 80 Q HA 0.563 4.903 4.340 -0.000 0.000 0.272 80 Q C -0.630 175.403 176.000 0.055 0.000 1.023 80 Q CA -0.657 55.173 55.803 0.045 0.000 0.855 80 Q CB 1.471 30.254 28.738 0.074 0.000 1.367 80 Q HN 0.514 nan 8.270 nan 0.000 0.406 81 G N 1.166 109.996 108.800 0.051 0.000 2.930 81 G HA2 0.291 4.251 3.960 -0.000 0.000 0.209 81 G HA3 0.291 4.251 3.960 -0.000 0.000 0.209 81 G C 0.615 175.541 174.900 0.044 0.000 2.018 81 G CA 0.305 45.433 45.100 0.046 0.000 0.751 81 G HN 0.716 nan 8.290 nan 0.000 0.770 82 G N -0.235 108.584 108.800 0.031 0.000 2.650 82 G HA2 0.056 4.015 3.960 -0.000 0.000 0.214 82 G HA3 0.056 4.015 3.960 -0.000 0.000 0.214 82 G C 0.814 175.714 174.900 -0.000 0.000 1.136 82 G CA 0.954 46.063 45.100 0.015 0.000 0.789 82 G HN 0.772 nan 8.290 nan 0.000 0.536 83 N N -0.182 118.525 118.700 0.012 0.000 2.756 83 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 83 N C 1.048 176.559 175.510 0.002 0.000 1.062 83 N CA 1.382 54.433 53.050 0.002 0.000 0.696 83 N CB -1.427 37.039 38.487 -0.036 0.000 0.946 83 N HN 0.439 nan 8.380 nan 0.000 0.548 84 T N -3.912 110.653 114.554 0.018 0.000 3.040 84 T HA 0.415 4.765 4.350 -0.000 0.000 0.266 84 T C 0.998 175.713 174.700 0.026 0.000 1.005 84 T CA 0.137 62.250 62.100 0.021 0.000 0.906 84 T CB 0.299 69.185 68.868 0.030 0.000 1.082 84 T HN 0.447 nan 8.240 nan 0.000 0.531 85 G N 1.186 110.008 108.800 0.035 0.000 2.491 85 G HA2 0.474 4.434 3.960 -0.000 0.000 0.238 85 G HA3 0.474 4.434 3.960 -0.000 0.000 0.238 85 G C 0.315 175.231 174.900 0.026 0.000 1.277 85 G CA -0.542 44.584 45.100 0.043 0.000 0.851 85 G HN 0.497 nan 8.290 nan 0.000 0.573 86 L N 1.705 122.922 121.223 -0.009 0.000 2.857 86 L HA 0.165 4.505 4.340 -0.000 0.000 0.249 86 L C 1.302 178.220 176.870 0.080 0.000 1.172 86 L CA -0.150 54.666 54.840 -0.039 0.000 0.980 86 L CB 0.556 42.435 42.059 -0.301 0.000 1.299 86 L HN 0.507 nan 8.230 nan 0.000 0.535 87 V N -4.667 115.330 119.914 0.137 0.000 3.159 87 V HA 0.549 4.669 4.120 -0.000 0.000 0.333 87 V C 1.133 177.328 176.094 0.168 0.000 1.424 87 V CA 0.201 62.617 62.300 0.194 0.000 1.125 87 V CB 0.113 32.035 31.823 0.165 0.000 1.075 87 V HN 0.331 nan 8.190 nan 0.000 0.482 88 G N 0.419 109.322 108.800 0.171 0.000 2.168 88 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 88 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 88 G C 0.990 175.905 174.900 0.025 0.000 0.997 88 G CA 0.500 45.614 45.100 0.023 0.000 0.708 88 G HN 1.241 nan 8.290 nan 0.000 0.520 89 G N 0.096 108.919 108.800 0.038 0.000 2.403 89 G HA2 0.041 4.001 3.960 -0.000 0.000 0.216 89 G HA3 0.041 4.001 3.960 -0.000 0.000 0.216 89 G C 1.523 176.434 174.900 0.018 0.000 1.154 89 G CA 1.530 46.648 45.100 0.030 0.000 0.784 89 G HN 0.913 nan 8.290 nan 0.000 0.538 90 Q N 0.810 120.617 119.800 0.012 0.000 2.280 90 Q HA 0.095 4.435 4.340 -0.000 0.000 0.201 90 Q C -0.251 175.724 176.000 -0.042 0.000 0.890 90 Q CA 0.208 56.011 55.803 -0.000 0.000 0.947 90 Q CB -0.445 28.306 28.738 0.020 0.000 1.081 90 Q HN 0.187 nan 8.270 nan 0.000 0.502 91 T N 4.841 119.331 114.554 -0.107 0.000 2.799 91 T HA 0.407 4.757 4.350 -0.000 0.000 0.286 91 T C -2.724 171.748 174.700 -0.380 0.000 0.973 91 T CA -1.436 60.506 62.100 -0.263 0.000 1.035 91 T CB 1.688 70.312 68.868 -0.407 0.000 0.932 91 T HN 0.160 nan 8.240 nan 0.000 0.469 92 P HA 0.287 nan 4.420 nan 0.000 0.288 92 P C 0.203 177.251 177.300 -0.419 0.000 1.363 92 P CA -0.435 62.501 63.100 -0.273 0.000 0.837 92 P CB 0.430 32.020 31.700 -0.183 0.000 0.981 93 H N 1.828 120.751 119.070 -0.245 0.000 2.551 93 H HA 0.180 4.736 4.556 -0.000 0.000 0.266 93 H C 0.284 175.335 175.328 -0.463 0.000 0.964 93 H CA 0.387 56.260 56.048 -0.292 0.000 1.180 93 H CB 0.507 30.163 29.762 -0.176 0.000 1.408 93 H HN 0.421 nan 8.280 nan 0.000 0.563 94 N N -0.134 118.385 118.700 -0.301 0.000 2.588 94 N HA 0.102 4.842 4.740 -0.000 0.000 0.298 94 N C 0.521 176.002 175.510 -0.048 0.000 1.718 94 N CA 0.481 53.448 53.050 -0.139 0.000 0.888 94 N CB 1.530 40.018 38.487 0.003 0.000 1.389 94 N HN 0.396 nan 8.380 nan 0.000 0.491 95 G N 1.174 109.897 108.800 -0.128 0.000 2.160 95 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 95 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 95 G C -0.062 174.839 174.900 0.002 0.000 1.008 95 G CA 0.212 45.357 45.100 0.075 0.000 0.724 95 G HN 0.431 nan 8.290 nan 0.000 0.514 96 E N -0.879 119.287 120.200 -0.056 0.000 2.374 96 E HA 0.492 4.842 4.350 -0.000 0.000 0.260 96 E C 0.526 177.075 176.600 -0.085 0.000 1.101 96 E CA -0.611 55.754 56.400 -0.059 0.000 0.907 96 E CB 1.491 31.151 29.700 -0.067 0.000 1.014 96 E HN 0.113 nan 8.360 nan 0.000 0.427 97 V N 2.686 122.528 119.914 -0.120 0.000 2.461 97 V HA 0.082 4.202 4.120 -0.000 0.000 0.275 97 V C -0.121 175.864 176.094 -0.181 0.000 1.047 97 V CA -0.568 61.617 62.300 -0.191 0.000 0.955 97 V CB 1.213 32.823 31.823 -0.355 0.000 0.988 97 V HN 0.388 nan 8.190 nan 0.000 0.471 98 V N 6.426 126.237 119.914 -0.171 0.000 2.530 98 V HA 0.296 4.416 4.120 -0.000 0.000 0.282 98 V C 0.160 176.154 176.094 -0.167 0.000 1.048 98 V CA -0.315 61.900 62.300 -0.142 0.000 0.997 98 V CB 1.287 33.033 31.823 -0.128 0.000 0.987 98 V HN 0.555 nan 8.190 nan 0.000 0.477 99 I N 4.255 124.756 120.570 -0.116 0.000 2.412 99 I HA 0.240 4.409 4.170 -0.000 0.000 0.279 99 I C 0.489 176.574 176.117 -0.052 0.000 1.063 99 I CA 0.284 61.522 61.300 -0.103 0.000 1.193 99 I CB 0.983 38.930 38.000 -0.088 0.000 1.370 99 I HN 0.633 nan 8.210 nan 0.000 0.479 100 S N 5.494 121.162 115.700 -0.053 0.000 2.548 100 S HA 0.440 4.910 4.470 -0.000 0.000 0.277 100 S C 0.778 175.386 174.600 0.013 0.000 1.315 100 S CA -0.260 57.955 58.200 0.025 0.000 1.050 100 S CB 0.731 63.986 63.200 0.091 0.000 0.918 100 S HN 0.519 nan 8.310 nan 0.000 0.497 101 L N 4.949 126.189 121.223 0.027 0.000 2.728 101 L HA 0.317 4.657 4.340 -0.000 0.000 0.238 101 L C 1.939 178.817 176.870 0.014 0.000 1.143 101 L CA -0.039 54.805 54.840 0.008 0.000 0.937 101 L CB -0.030 42.031 42.059 0.004 0.000 1.225 101 L HN 0.652 nan 8.230 nan 0.000 0.507 102 K N 0.414 120.839 120.400 0.040 0.000 2.218 102 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 102 K C 0.902 177.511 176.600 0.015 0.000 1.046 102 K CA 1.002 57.313 56.287 0.039 0.000 0.933 102 K CB -0.027 32.518 32.500 0.075 0.000 0.728 102 K HN 0.355 nan 8.250 nan 0.000 0.454 106 K N 1.121 121.501 120.400 -0.033 0.000 2.298 106 K HA 0.554 4.874 4.320 -0.000 0.000 0.280 106 K C 0.336 176.911 176.600 -0.043 0.000 1.032 106 K CA -0.305 55.961 56.287 -0.034 0.000 0.958 106 K CB 0.423 32.904 32.500 -0.032 0.000 0.978 106 K HN 0.241 nan 8.250 nan 0.000 0.472 107 I N 3.907 124.451 120.570 -0.044 0.000 2.312 107 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 107 I C 1.301 177.391 176.117 -0.044 0.000 1.031 107 I CA -0.179 61.089 61.300 -0.054 0.000 1.293 107 I CB 0.972 38.939 38.000 -0.055 0.000 1.403 107 I HN 0.798 nan 8.210 nan 0.000 0.484 108 R N 3.558 124.031 120.500 -0.046 0.000 2.064 108 R HA 0.122 4.462 4.340 -0.000 0.000 0.221 108 R C 0.412 176.691 176.300 -0.034 0.000 1.136 108 R CA 0.649 56.727 56.100 -0.037 0.000 0.980 108 R CB 0.464 30.742 30.300 -0.036 0.000 0.876 108 R HN 0.621 nan 8.270 nan 0.000 0.437 109 E N 0.382 120.559 120.200 -0.039 0.000 2.321 109 E HA 0.303 4.653 4.350 -0.000 0.000 0.278 109 E C -1.517 175.060 176.600 -0.038 0.000 0.902 109 E CA -0.411 55.969 56.400 -0.033 0.000 0.758 109 E CB 1.802 31.485 29.700 -0.029 0.000 1.213 109 E HN 0.017 nan 8.360 nan 0.000 0.426 110 I N 3.485 124.036 120.570 -0.031 0.000 2.420 110 I HA 0.234 4.404 4.170 -0.000 0.000 0.282 110 I C -0.800 175.304 176.117 -0.022 0.000 1.019 110 I CA -0.748 60.534 61.300 -0.030 0.000 1.130 110 I CB 1.390 39.373 38.000 -0.027 0.000 1.262 110 I HN 0.383 nan 8.210 nan 0.000 0.454 111 D N 4.814 125.201 120.400 -0.022 0.000 2.412 111 D HA 0.136 4.776 4.640 -0.000 0.000 0.224 111 D C 1.235 177.526 176.300 -0.017 0.000 1.093 111 D CA -0.275 53.714 54.000 -0.018 0.000 0.850 111 D CB 1.462 42.250 40.800 -0.020 0.000 1.046 111 D HN 0.630 nan 8.370 nan 0.000 0.507 112 T N -0.100 114.447 114.554 -0.012 0.000 3.067 112 T HA -0.014 4.336 4.350 -0.000 0.000 0.261 112 T C 1.573 176.267 174.700 -0.010 0.000 1.110 112 T CA 0.455 62.550 62.100 -0.008 0.000 1.113 112 T CB 0.183 69.050 68.868 -0.001 0.000 0.917 112 T HN 0.128 nan 8.240 nan 0.000 0.499 113 S N 1.730 117.422 115.700 -0.012 0.000 2.356 113 S HA 0.043 4.513 4.470 -0.000 0.000 0.219 113 S C 2.346 176.934 174.600 -0.021 0.000 1.036 113 S CA 0.857 59.049 58.200 -0.013 0.000 0.965 113 S CB -0.319 62.875 63.200 -0.011 0.000 0.864 113 S HN 0.555 nan 8.310 nan 0.000 0.471 114 S N 1.694 117.381 115.700 -0.023 0.000 2.481 114 S HA 0.074 4.544 4.470 -0.000 0.000 0.231 114 S C 0.317 174.891 174.600 -0.044 0.000 0.996 114 S CA 0.093 58.275 58.200 -0.030 0.000 0.942 114 S CB -0.287 62.898 63.200 -0.025 0.000 0.768 114 S HN 0.467 nan 8.310 nan 0.000 0.520 115 N N 2.204 120.880 118.700 -0.041 0.000 2.708 115 N HA -0.119 4.621 4.740 -0.000 0.000 0.255 115 N C -0.466 175.010 175.510 -0.056 0.000 1.046 115 N CA 1.260 54.278 53.050 -0.053 0.000 0.715 115 N CB -1.393 37.041 38.487 -0.087 0.000 0.895 115 N HN 0.681 nan 8.380 nan 0.000 0.545 116 T N -2.141 112.392 114.554 -0.034 0.000 2.906 116 T HA 0.818 5.168 4.350 -0.000 0.000 0.295 116 T C -0.074 174.609 174.700 -0.029 0.000 1.075 116 T CA -0.872 61.212 62.100 -0.026 0.000 1.005 116 T CB 3.094 71.947 68.868 -0.026 0.000 1.136 116 T HN 0.229 nan 8.240 nan 0.000 0.498 117 I N 1.191 121.737 120.570 -0.041 0.000 2.571 117 I HA 0.483 4.653 4.170 -0.000 0.000 0.289 117 I C -1.191 174.878 176.117 -0.081 0.000 1.115 117 I CA -0.453 60.803 61.300 -0.072 0.000 1.045 117 I CB 2.138 40.067 38.000 -0.117 0.000 1.238 117 I HN 0.831 nan 8.210 nan 0.000 0.424 118 T N 7.088 121.601 114.554 -0.069 0.000 2.749 118 T HA 0.599 4.949 4.350 -0.000 0.000 0.287 118 T C -0.492 174.165 174.700 -0.073 0.000 0.970 118 T CA -0.447 61.617 62.100 -0.061 0.000 0.980 118 T CB 1.230 70.072 68.868 -0.043 0.000 0.924 118 T HN 0.471 nan 8.240 nan 0.000 0.456 119 V N 0.829 120.696 119.914 -0.078 0.000 3.078 119 V HA 0.683 4.803 4.120 -0.000 0.000 0.311 119 V C -0.516 175.543 176.094 -0.060 0.000 1.138 119 V CA -1.284 60.968 62.300 -0.079 0.000 1.007 119 V CB 2.025 33.779 31.823 -0.115 0.000 1.045 119 V HN 0.767 nan 8.190 nan 0.000 0.432 120 E N 1.186 121.355 120.200 -0.052 0.000 2.345 120 E HA 0.563 4.913 4.350 -0.000 0.000 0.259 120 E C 1.224 177.803 176.600 -0.035 0.000 1.117 120 E CA -0.075 56.300 56.400 -0.041 0.000 0.913 120 E CB 1.776 31.453 29.700 -0.037 0.000 1.057 120 E HN 0.961 nan 8.360 nan 0.000 0.432 121 A N 1.850 124.654 122.820 -0.028 0.000 1.978 121 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 121 A C 1.887 179.466 177.584 -0.008 0.000 1.170 121 A CA 1.801 53.829 52.037 -0.016 0.000 0.636 121 A CB -0.655 18.337 19.000 -0.013 0.000 0.810 121 A HN 0.706 nan 8.150 nan 0.000 0.448 122 G N -0.995 107.799 108.800 -0.011 0.000 2.985 122 G HA2 0.384 4.344 3.960 -0.000 0.000 0.209 122 G HA3 0.384 4.344 3.960 -0.000 0.000 0.209 122 G C 0.611 175.506 174.900 -0.007 0.000 1.165 122 G CA 0.484 45.583 45.100 -0.003 0.000 0.776 122 G HN 0.776 nan 8.290 nan 0.000 0.541 123 A N 1.233 124.042 122.820 -0.019 0.000 2.524 123 A HA 0.434 4.754 4.320 -0.000 0.000 0.250 123 A C 0.467 178.043 177.584 -0.014 0.000 1.078 123 A CA -0.249 51.772 52.037 -0.027 0.000 0.761 123 A CB 0.183 19.152 19.000 -0.053 0.000 1.012 123 A HN 0.160 nan 8.150 nan 0.000 0.500 124 I N 4.165 124.731 120.570 -0.007 0.000 2.598 124 I HA -0.073 4.097 4.170 -0.000 0.000 0.284 124 I C 1.620 177.743 176.117 0.010 0.000 1.140 124 I CA -0.050 61.254 61.300 0.007 0.000 1.420 124 I CB 0.323 38.327 38.000 0.008 0.000 1.387 124 I HN 0.834 nan 8.210 nan 0.000 0.553 125 L N 6.532 127.777 121.223 0.036 0.000 2.021 125 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 125 L C 2.436 179.346 176.870 0.066 0.000 1.074 125 L CA 2.110 56.994 54.840 0.073 0.000 0.760 125 L CB -0.785 41.339 42.059 0.108 0.000 0.889 125 L HN 0.811 nan 8.230 nan 0.000 0.433 126 Q N -0.858 118.969 119.800 0.045 0.000 2.135 126 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 126 Q C 2.458 178.470 176.000 0.021 0.000 0.981 126 Q CA 1.955 57.779 55.803 0.034 0.000 0.856 126 Q CB -0.176 28.575 28.738 0.022 0.000 0.902 126 Q HN 0.552 nan 8.270 nan 0.000 0.425 127 R N -0.672 119.833 120.500 0.007 0.000 2.115 127 R HA -0.068 4.272 4.340 -0.000 0.000 0.226 127 R C 2.025 178.312 176.300 -0.022 0.000 1.100 127 R CA 1.012 57.108 56.100 -0.007 0.000 0.980 127 R CB 0.117 30.410 30.300 -0.013 0.000 0.875 127 R HN 0.167 nan 8.270 nan 0.000 0.445 128 V N 0.998 120.888 119.914 -0.041 0.000 2.358 128 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 128 V C 2.176 178.249 176.094 -0.035 0.000 1.047 128 V CA 1.737 63.974 62.300 -0.105 0.000 1.035 128 V CB -0.485 31.183 31.823 -0.258 0.000 0.658 128 V HN 0.416 nan 8.190 nan 0.000 0.452 129 Q N -0.094 119.740 119.800 0.057 0.000 2.096 129 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 129 Q C 2.289 178.317 176.000 0.045 0.000 0.982 129 Q CA 2.041 57.905 55.803 0.102 0.000 0.850 129 Q CB -0.203 28.588 28.738 0.088 0.000 0.901 129 Q HN 0.701 nan 8.270 nan 0.000 0.422 130 E N 0.235 120.448 120.200 0.021 0.000 2.072 130 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 130 E C 1.970 178.572 176.600 0.004 0.000 0.985 130 E CA 0.663 57.068 56.400 0.010 0.000 0.801 130 E CB 0.158 29.860 29.700 0.004 0.000 0.750 130 E HN 0.100 nan 8.360 nan 0.000 0.452 131 K N 0.456 120.852 120.400 -0.006 0.000 2.097 131 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 131 K C 2.070 178.667 176.600 -0.004 0.000 1.050 131 K CA 1.022 57.301 56.287 -0.014 0.000 0.938 131 K CB -0.316 32.164 32.500 -0.033 0.000 0.718 131 K HN 0.086 nan 8.250 nan 0.000 0.442 132 A N 1.444 124.268 122.820 0.007 0.000 1.902 132 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 132 A C 2.402 180.005 177.584 0.033 0.000 1.181 132 A CA 2.022 54.077 52.037 0.031 0.000 0.623 132 A CB -0.574 18.476 19.000 0.084 0.000 0.818 132 A HN 0.288 nan 8.150 nan 0.000 0.443 133 A N -0.145 122.692 122.820 0.029 0.000 1.933 133 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 133 A C 1.843 179.436 177.584 0.016 0.000 1.175 133 A CA 1.580 53.630 52.037 0.022 0.000 0.628 133 A CB -0.532 18.477 19.000 0.016 0.000 0.814 133 A HN 0.647 nan 8.150 nan 0.000 0.444 134 E N -0.371 119.836 120.200 0.011 0.000 2.265 134 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 134 E C 1.151 177.756 176.600 0.008 0.000 0.996 134 E CA 1.313 57.718 56.400 0.007 0.000 0.832 134 E CB -0.157 29.544 29.700 0.002 0.000 0.756 134 E HN 0.647 nan 8.360 nan 0.000 0.491 135 V N -1.997 117.923 119.914 0.011 0.000 3.043 135 V HA 0.202 4.322 4.120 -0.000 0.000 0.357 135 V C -0.144 175.961 176.094 0.017 0.000 1.372 135 V CA -0.039 62.268 62.300 0.011 0.000 1.214 135 V CB -0.007 31.820 31.823 0.007 0.000 1.224 135 V HN 0.039 nan 8.190 nan 0.000 0.507 136 D N 1.088 121.501 120.400 0.020 0.000 2.772 136 D HA -0.173 4.467 4.640 -0.000 0.000 0.233 136 D C 0.242 176.564 176.300 0.036 0.000 1.143 136 D CA 0.928 54.943 54.000 0.026 0.000 0.700 136 D CB -0.311 40.503 40.800 0.023 0.000 1.076 136 D HN 0.617 nan 8.370 nan 0.000 0.430 137 R N -0.531 119.994 120.500 0.043 0.000 2.888 137 R HA 0.806 5.146 4.340 -0.000 0.000 0.264 137 R C -0.702 175.643 176.300 0.074 0.000 1.045 137 R CA -1.028 55.111 56.100 0.064 0.000 0.962 137 R CB 0.984 31.323 30.300 0.065 0.000 1.210 137 R HN 0.155 nan 8.270 nan 0.000 0.479 138 L N 0.735 122.022 121.223 0.106 0.000 2.386 138 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 138 L C -1.427 175.535 176.870 0.154 0.000 0.993 138 L CA -0.569 54.314 54.840 0.071 0.000 0.819 138 L CB 1.562 43.606 42.059 -0.025 0.000 1.294 138 L HN 0.487 nan 8.230 nan 0.000 0.414 139 F N 7.620 127.538 119.950 -0.053 0.000 2.311 139 F HA 0.584 5.111 4.527 -0.000 0.000 0.371 139 F C -1.699 173.984 175.800 -0.195 0.000 1.083 139 F CA -2.344 55.626 58.000 -0.049 0.000 1.113 139 F CB 1.066 40.057 39.000 -0.015 0.000 1.349 139 F HN 0.493 nan 8.300 nan 0.000 0.470 140 P HA -0.100 nan 4.420 nan 0.000 0.230 140 P C 0.414 177.298 177.300 -0.695 0.000 1.158 140 P CA 0.425 62.958 63.100 -0.946 0.000 0.769 140 P CB 0.256 30.892 31.700 -1.774 0.000 0.807 141 L N 0.646 121.374 121.223 -0.825 0.000 2.477 141 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 141 L C 0.073 176.801 176.870 -0.235 0.000 1.157 141 L CA 0.443 55.007 54.840 -0.460 0.000 0.889 141 L CB -0.063 41.746 42.059 -0.417 0.000 1.158 141 L HN -0.150 nan 8.230 nan 0.000 0.473 142 S N 5.104 120.711 115.700 -0.154 0.000 2.736 142 S HA 0.768 5.238 4.470 -0.000 0.000 0.285 142 S C -0.872 173.700 174.600 -0.047 0.000 1.163 142 S CA -0.669 57.473 58.200 -0.096 0.000 1.025 142 S CB 0.481 63.597 63.200 -0.141 0.000 1.030 142 S HN 0.464 nan 8.310 nan 0.000 0.486 143 L N 3.203 124.427 121.223 0.002 0.000 2.242 143 L HA 0.767 5.107 4.340 -0.000 0.000 0.261 143 L C 1.714 178.621 176.870 0.061 0.000 1.052 143 L CA -0.288 54.582 54.840 0.050 0.000 0.972 143 L CB 0.168 42.273 42.059 0.078 0.000 1.562 143 L HN 0.713 nan 8.230 nan 0.000 0.509 144 G N -1.246 107.614 108.800 0.100 0.000 2.719 144 G HA2 0.219 4.179 3.960 -0.000 0.000 0.211 144 G HA3 0.219 4.179 3.960 -0.000 0.000 0.211 144 G C 0.773 175.719 174.900 0.077 0.000 1.140 144 G CA 0.748 45.906 45.100 0.095 0.000 0.790 144 G HN 0.593 nan 8.290 nan 0.000 0.529 145 A N 0.103 122.970 122.820 0.078 0.000 2.415 145 A HA 0.331 4.651 4.320 -0.000 0.000 0.248 145 A C 1.802 179.416 177.584 0.050 0.000 1.299 145 A CA 0.234 52.307 52.037 0.061 0.000 0.899 145 A CB -0.151 18.887 19.000 0.063 0.000 0.997 145 A HN 0.336 nan 8.150 nan 0.000 0.506 146 Q N -0.194 119.635 119.800 0.048 0.000 2.165 146 Q HA -0.270 4.070 4.340 -0.000 0.000 0.215 146 Q C 1.967 177.988 176.000 0.035 0.000 1.010 146 Q CA 1.876 57.704 55.803 0.042 0.000 0.896 146 Q CB -0.401 28.355 28.738 0.030 0.000 0.956 146 Q HN 0.709 nan 8.270 nan 0.000 0.413 147 G N -1.271 107.546 108.800 0.028 0.000 2.559 147 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 147 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 147 G C 1.151 176.061 174.900 0.017 0.000 1.126 147 G CA 0.998 46.111 45.100 0.020 0.000 0.778 147 G HN 0.247 nan 8.290 nan 0.000 0.543 148 S N -1.112 114.600 115.700 0.021 0.000 2.741 148 S HA 0.039 4.509 4.470 -0.000 0.000 0.245 148 S C 1.305 175.918 174.600 0.021 0.000 1.083 148 S CA 0.109 58.317 58.200 0.014 0.000 0.873 148 S CB -0.059 63.145 63.200 0.008 0.000 0.814 148 S HN 0.645 nan 8.310 nan 0.000 0.476 149 C N 4.462 123.783 119.300 0.034 0.000 2.662 149 C HA 0.648 5.108 4.460 -0.000 0.000 0.420 149 C C 1.000 176.016 174.990 0.043 0.000 1.314 149 C CA -0.801 58.243 59.018 0.043 0.000 1.963 149 C CB -0.644 27.131 27.740 0.058 0.000 2.686 149 C HN 0.520 nan 8.230 nan 0.000 0.609 150 T N 1.680 116.259 114.554 0.042 0.000 2.944 150 T HA 0.459 4.809 4.350 -0.000 0.000 0.284 150 T C 1.143 175.872 174.700 0.047 0.000 1.010 150 T CA -0.836 61.286 62.100 0.036 0.000 1.025 150 T CB 0.802 69.687 68.868 0.027 0.000 1.079 150 T HN 0.553 nan 8.240 nan 0.000 0.516 151 I N 1.416 122.006 120.570 0.034 0.000 2.179 151 I HA -0.040 4.130 4.170 -0.000 0.000 0.242 151 I C 2.805 178.952 176.117 0.050 0.000 1.088 151 I CA 1.930 63.257 61.300 0.045 0.000 1.357 151 I CB -1.978 36.021 38.000 -0.002 0.000 1.051 151 I HN 0.982 nan 8.210 nan 0.000 0.409 152 G N 0.595 109.414 108.800 0.032 0.000 2.442 152 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 152 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 152 G C 1.744 176.673 174.900 0.048 0.000 1.141 152 G CA 0.943 46.063 45.100 0.033 0.000 0.763 152 G HN 0.488 nan 8.290 nan 0.000 0.554 153 G N 0.780 109.611 108.800 0.051 0.000 2.404 153 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 153 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 153 G C 1.668 176.611 174.900 0.072 0.000 1.174 153 G CA 1.050 46.185 45.100 0.059 0.000 0.780 153 G HN 0.565 nan 8.290 nan 0.000 0.537 154 N N 0.186 118.934 118.700 0.079 0.000 2.069 154 N HA -0.051 4.689 4.740 -0.000 0.000 0.191 154 N C 2.211 177.775 175.510 0.091 0.000 1.031 154 N CA 0.864 53.969 53.050 0.092 0.000 0.852 154 N CB -0.195 38.359 38.487 0.112 0.000 1.018 154 N HN 0.229 nan 8.380 nan 0.000 0.423 155 L N 0.371 121.648 121.223 0.090 0.000 2.056 155 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 155 L C 2.284 179.207 176.870 0.088 0.000 1.078 155 L CA 0.870 55.765 54.840 0.091 0.000 0.749 155 L CB -0.348 41.763 42.059 0.088 0.000 0.901 155 L HN 0.160 nan 8.230 nan 0.000 0.433 156 S N -0.746 115.004 115.700 0.082 0.000 2.382 156 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 156 S C 1.939 176.584 174.600 0.075 0.000 1.027 156 S CA 1.867 60.117 58.200 0.083 0.000 0.991 156 S CB -0.320 62.924 63.200 0.073 0.000 0.823 156 S HN 0.650 nan 8.310 nan 0.000 0.469 157 T N -1.307 113.293 114.554 0.076 0.000 3.081 157 T HA 0.159 4.509 4.350 -0.000 0.000 0.250 157 T C 0.576 175.318 174.700 0.070 0.000 1.100 157 T CA 0.453 62.599 62.100 0.077 0.000 1.038 157 T CB -0.423 68.501 68.868 0.094 0.000 0.962 157 T HN 0.248 nan 8.240 nan 0.000 0.516 158 N N 1.354 120.095 118.700 0.069 0.000 2.727 158 N HA -0.149 4.591 4.740 -0.000 0.000 0.251 158 N C -0.055 175.489 175.510 0.056 0.000 1.040 158 N CA 0.550 53.636 53.050 0.060 0.000 0.712 158 N CB -1.589 36.925 38.487 0.045 0.000 0.912 158 N HN 0.933 nan 8.380 nan 0.000 0.545 159 A N 0.002 122.863 122.820 0.069 0.000 2.483 159 A HA 0.593 4.913 4.320 -0.000 0.000 0.238 159 A C 1.149 178.758 177.584 0.042 0.000 1.070 159 A CA 0.748 52.827 52.037 0.070 0.000 0.770 159 A CB 0.376 19.427 19.000 0.085 0.000 1.008 159 A HN 0.892 nan 8.150 nan 0.000 0.497 160 G N -0.850 107.971 108.800 0.035 0.000 2.690 160 G HA2 0.741 4.701 3.960 -0.000 0.000 0.291 160 G HA3 0.741 4.701 3.960 -0.000 0.000 0.291 160 G C -0.343 174.553 174.900 -0.005 0.000 1.403 160 G CA 0.030 45.130 45.100 -0.001 0.000 0.864 160 G HN 1.507 nan 8.290 nan 0.000 0.480 161 G N -1.515 107.239 108.800 -0.076 0.000 2.911 161 G HA2 0.473 4.433 3.960 -0.000 0.000 0.299 161 G HA3 0.473 4.433 3.960 -0.000 0.000 0.299 161 G C 0.840 175.516 174.900 -0.375 0.000 1.283 161 G CA 0.782 45.802 45.100 -0.132 0.000 0.805 161 G HN 0.618 nan 8.290 nan 0.000 0.548 162 T N 1.113 115.457 114.554 -0.350 0.000 2.665 162 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 162 T C 2.320 176.912 174.700 -0.180 0.000 1.035 162 T CA 2.348 64.235 62.100 -0.354 0.000 1.151 162 T CB -0.393 68.461 68.868 -0.024 0.000 0.862 162 T HN 0.803 nan 8.240 nan 0.000 0.438 163 A N 0.555 123.314 122.820 -0.102 0.000 2.276 163 A HA 0.621 4.941 4.320 -0.000 0.000 0.212 163 A C 2.317 179.879 177.584 -0.038 0.000 1.230 163 A CA 0.894 52.919 52.037 -0.019 0.000 0.844 163 A CB -0.668 18.390 19.000 0.097 0.000 0.860 163 A HN 0.451 nan 8.150 nan 0.000 0.486 164 A N 0.904 123.672 122.820 -0.087 0.000 1.948 164 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 164 A C 2.087 179.629 177.584 -0.070 0.000 1.177 164 A CA 1.641 53.636 52.037 -0.069 0.000 0.636 164 A CB -0.821 18.134 19.000 -0.075 0.000 0.815 164 A HN 1.159 nan 8.150 nan 0.000 0.449 165 L N -3.543 117.639 121.223 -0.068 0.000 2.261 165 L HA 0.001 4.341 4.340 -0.000 0.000 0.216 165 L C 2.149 178.940 176.870 -0.133 0.000 1.114 165 L CA 1.698 56.495 54.840 -0.072 0.000 0.777 165 L CB -0.457 41.579 42.059 -0.038 0.000 0.910 165 L HN 0.258 nan 8.230 nan 0.000 0.440 166 A N -1.100 121.582 122.820 -0.231 0.000 1.963 166 A HA 0.139 4.459 4.320 -0.000 0.000 0.207 166 A C 1.652 178.932 177.584 -0.507 0.000 1.243 166 A CA 0.308 52.086 52.037 -0.432 0.000 0.728 166 A CB -0.398 18.191 19.000 -0.685 0.000 0.895 166 A HN 0.439 nan 8.150 nan 0.000 0.467 167 Y N -0.473 119.717 120.300 -0.183 0.000 2.507 167 Y HA 0.421 4.971 4.550 -0.000 0.000 0.263 167 Y C 1.641 177.439 175.900 -0.169 0.000 1.093 167 Y CA 0.166 58.094 58.100 -0.287 0.000 1.285 167 Y CB 0.030 38.178 38.460 -0.519 0.000 1.115 167 Y HN 0.552 nan 8.280 nan 0.000 0.533 168 G N 0.269 109.069 108.800 -0.000 0.000 2.548 168 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.208 168 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.208 168 G C -0.892 174.001 174.900 -0.011 0.000 1.308 168 G CA -0.559 44.543 45.100 0.003 0.000 0.924 168 G HN 0.097 nan 8.290 nan 0.000 0.540 169 L N 0.022 121.247 121.223 0.004 0.000 2.397 169 L HA 0.674 5.014 4.340 -0.000 0.000 0.266 169 L C 2.363 179.243 176.870 0.016 0.000 1.040 169 L CA -0.367 54.474 54.840 0.001 0.000 0.800 169 L CB 0.887 42.953 42.059 0.012 0.000 1.324 169 L HN 1.174 nan 8.230 nan 0.000 0.469 170 A N 0.158 122.996 122.820 0.029 0.000 1.917 170 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 170 A C 2.297 179.934 177.584 0.089 0.000 1.182 170 A CA 2.188 54.266 52.037 0.069 0.000 0.633 170 A CB -0.735 18.317 19.000 0.085 0.000 0.819 170 A HN 0.864 nan 8.150 nan 0.000 0.448 171 R N 0.110 120.652 120.500 0.071 0.000 2.096 171 R HA -0.138 4.202 4.340 -0.000 0.000 0.240 171 R C 0.252 176.602 176.300 0.083 0.000 1.139 171 R CA 1.643 57.788 56.100 0.074 0.000 0.952 171 R CB -0.396 29.936 30.300 0.054 0.000 0.854 171 R HN 0.568 nan 8.270 nan 0.000 0.436 175 L N 1.262 122.525 121.223 0.067 0.000 2.537 175 L HA 0.519 4.858 4.340 -0.000 0.000 0.224 175 L C 1.151 178.043 176.870 0.036 0.000 1.065 175 L CA 0.814 55.681 54.840 0.043 0.000 0.860 175 L CB 0.824 42.899 42.059 0.026 0.000 1.086 175 L HN 0.986 nan 8.230 nan 0.000 0.482 176 G N -0.213 108.608 108.800 0.034 0.000 2.601 176 G HA2 0.523 4.483 3.960 -0.000 0.000 0.291 176 G HA3 0.523 4.483 3.960 -0.000 0.000 0.291 176 G C -1.811 173.098 174.900 0.015 0.000 1.456 176 G CA -0.144 44.970 45.100 0.024 0.000 0.804 176 G HN -0.162 nan 8.290 nan 0.000 0.499 177 V N -2.435 117.479 119.914 -0.001 0.000 3.114 177 V HA 0.902 5.022 4.120 -0.000 0.000 0.308 177 V C -0.964 175.085 176.094 -0.075 0.000 1.168 177 V CA -1.068 61.213 62.300 -0.032 0.000 1.015 177 V CB 1.995 33.801 31.823 -0.030 0.000 1.050 177 V HN 0.969 nan 8.190 nan 0.000 0.433 178 E N 1.363 121.506 120.200 -0.095 0.000 2.191 178 E HA 0.741 5.091 4.350 -0.000 0.000 0.263 178 E C -1.818 174.682 176.600 -0.167 0.000 0.881 178 E CA -0.627 55.705 56.400 -0.114 0.000 0.757 178 E CB 2.196 31.850 29.700 -0.076 0.000 1.147 178 E HN 0.753 nan 8.360 nan 0.000 0.414 179 V N 4.226 123.998 119.914 -0.238 0.000 2.789 179 V HA 0.358 4.478 4.120 -0.000 0.000 0.311 179 V C -0.502 175.470 176.094 -0.203 0.000 1.073 179 V CA -0.899 61.218 62.300 -0.305 0.000 0.921 179 V CB 2.057 33.459 31.823 -0.701 0.000 1.009 179 V HN 0.512 nan 8.190 nan 0.000 0.426 180 V N 5.569 125.404 119.914 -0.132 0.000 2.394 180 V HA 0.460 4.580 4.120 -0.000 0.000 0.282 180 V C 0.100 176.169 176.094 -0.043 0.000 1.031 180 V CA -0.406 61.852 62.300 -0.070 0.000 0.881 180 V CB 1.358 33.157 31.823 -0.040 0.000 0.982 180 V HN 0.611 nan 8.190 nan 0.000 0.451 181 L N 3.292 124.506 121.223 -0.014 0.000 2.454 181 L HA 0.469 4.809 4.340 -0.000 0.000 0.256 181 L C 1.900 178.787 176.870 0.029 0.000 1.136 181 L CA -0.299 54.558 54.840 0.029 0.000 0.804 181 L CB 0.595 42.682 42.059 0.047 0.000 1.181 181 L HN 0.706 nan 8.230 nan 0.000 0.469 182 A N 0.933 123.776 122.820 0.037 0.000 1.948 182 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 182 A C 1.550 179.156 177.584 0.036 0.000 1.177 182 A CA 2.066 54.125 52.037 0.036 0.000 0.636 182 A CB -0.725 18.291 19.000 0.026 0.000 0.815 182 A HN 0.950 nan 8.150 nan 0.000 0.449 183 D N -2.597 117.815 120.400 0.020 0.000 2.349 183 D HA 0.297 4.937 4.640 -0.000 0.000 0.224 183 D C 1.150 177.467 176.300 0.029 0.000 1.029 183 D CA 1.039 55.053 54.000 0.023 0.000 0.879 183 D CB -0.450 40.349 40.800 -0.000 0.000 0.906 183 D HN 0.838 nan 8.370 nan 0.000 0.528 184 G N 0.068 108.883 108.800 0.026 0.000 2.194 184 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.236 184 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.236 184 G C 0.356 175.261 174.900 0.009 0.000 0.987 184 G CA -0.159 44.953 45.100 0.021 0.000 0.635 184 G HN 0.447 nan 8.290 nan 0.000 0.520 185 R N 0.110 120.614 120.500 0.007 0.000 2.643 185 R HA 0.478 4.818 4.340 -0.000 0.000 0.270 185 R C 0.577 176.868 176.300 -0.014 0.000 1.061 185 R CA 0.239 56.340 56.100 0.001 0.000 1.107 185 R CB 0.946 31.250 30.300 0.007 0.000 0.999 185 R HN 0.150 nan 8.270 nan 0.000 0.460 189 L N 3.072 124.277 121.223 -0.031 0.000 2.965 189 L HA 0.391 4.731 4.340 -0.000 0.000 0.254 189 L C 0.427 177.293 176.870 -0.007 0.000 1.220 189 L CA -0.181 54.654 54.840 -0.009 0.000 1.023 189 L CB 0.240 42.305 42.059 0.010 0.000 1.355 189 L HN 0.349 nan 8.230 nan 0.000 0.545 190 L N 0.526 121.739 121.223 -0.017 0.000 2.534 190 L HA 0.099 4.439 4.340 -0.000 0.000 0.271 190 L C 0.517 177.382 176.870 -0.009 0.000 1.178 190 L CA 0.676 55.507 54.840 -0.015 0.000 0.907 190 L CB 0.606 42.652 42.059 -0.022 0.000 1.164 190 L HN 0.175 nan 8.230 nan 0.000 0.482 191 S N 2.448 118.145 115.700 -0.004 0.000 2.537 191 S HA 0.377 4.847 4.470 -0.000 0.000 0.270 191 S C -0.043 174.554 174.600 -0.004 0.000 1.142 191 S CA -0.841 57.357 58.200 -0.003 0.000 0.870 191 S CB 1.756 64.958 63.200 0.004 0.000 1.112 191 S HN 0.664 nan 8.310 nan 0.000 0.466 192 K N 2.168 122.564 120.400 -0.007 0.000 2.358 192 K HA 0.339 4.659 4.320 -0.000 0.000 0.197 192 K C -0.176 176.418 176.600 -0.010 0.000 1.025 192 K CA -0.002 56.278 56.287 -0.011 0.000 1.104 192 K CB 0.058 32.549 32.500 -0.015 0.000 0.855 192 K HN 0.505 nan 8.250 nan 0.000 0.531 193 L N 1.898 123.118 121.223 -0.005 0.000 2.416 193 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 193 L C 1.233 178.102 176.870 -0.003 0.000 1.161 193 L CA -0.195 54.643 54.840 -0.004 0.000 0.845 193 L CB 0.544 42.603 42.059 -0.000 0.000 1.119 193 L HN -0.047 nan 8.230 nan 0.000 0.464 194 K N 1.993 122.388 120.400 -0.007 0.000 2.356 194 K HA 0.159 4.479 4.320 -0.000 0.000 0.195 194 K C 0.070 176.671 176.600 0.002 0.000 1.037 194 K CA 0.649 56.932 56.287 -0.006 0.000 1.014 194 K CB 0.326 32.816 32.500 -0.017 0.000 0.815 194 K HN 0.479 nan 8.250 nan 0.000 0.507 195 K N 1.262 121.664 120.400 0.003 0.000 2.507 195 K HA 0.182 4.502 4.320 -0.000 0.000 0.252 195 K C -1.641 174.963 176.600 0.007 0.000 0.943 195 K CA -0.442 55.849 56.287 0.006 0.000 0.808 195 K CB 1.690 34.193 32.500 0.004 0.000 1.142 195 K HN -0.201 nan 8.250 nan 0.000 0.426 196 D N 2.514 122.921 120.400 0.012 0.000 2.296 196 D HA 0.116 4.756 4.640 -0.000 0.000 0.224 196 D C -1.397 174.912 176.300 0.016 0.000 1.324 196 D CA -0.450 53.557 54.000 0.011 0.000 0.940 196 D CB 0.556 41.363 40.800 0.011 0.000 1.492 196 D HN 0.296 nan 8.370 nan 0.000 0.531 197 N N 2.035 120.743 118.700 0.013 0.000 3.234 197 N HA 0.225 4.965 4.740 -0.000 0.000 0.272 197 N C -0.676 174.839 175.510 0.008 0.000 1.254 197 N CA -0.111 52.949 53.050 0.017 0.000 1.087 197 N CB 1.060 39.558 38.487 0.018 0.000 1.356 197 N HN 0.327 nan 8.380 nan 0.000 0.511 198 T N -1.548 113.008 114.554 0.005 0.000 3.327 198 T HA 0.679 5.029 4.350 -0.000 0.000 0.373 198 T C 0.621 175.302 174.700 -0.032 0.000 1.589 198 T CA -0.490 61.601 62.100 -0.014 0.000 1.497 198 T CB 0.600 69.460 68.868 -0.013 0.000 1.032 198 T HN 0.452 nan 8.240 nan 0.000 0.640 199 G N 1.697 110.464 108.800 -0.055 0.000 2.660 199 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.247 199 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.247 199 G C -0.995 173.904 174.900 -0.002 0.000 1.328 199 G CA -1.090 43.926 45.100 -0.140 0.000 0.884 199 G HN 0.574 nan 8.290 nan 0.000 0.531 200 Y N 0.626 120.934 120.300 0.014 0.000 2.379 200 Y HA 0.447 4.997 4.550 -0.000 0.000 0.337 200 Y C 1.057 176.970 175.900 0.022 0.000 1.238 200 Y CA -0.594 57.514 58.100 0.013 0.000 1.405 200 Y CB 0.631 39.096 38.460 0.008 0.000 1.310 200 Y HN 0.533 nan 8.280 nan 0.000 0.569 201 D N 2.430 122.944 120.400 0.190 0.000 2.453 201 D HA 0.126 4.765 4.640 -0.000 0.000 0.223 201 D C 0.327 176.694 176.300 0.112 0.000 1.183 201 D CA 0.245 54.316 54.000 0.118 0.000 0.933 201 D CB 0.045 40.891 40.800 0.078 0.000 1.038 201 D HN 0.578 nan 8.370 nan 0.000 0.513 202 L N 3.065 124.376 121.223 0.146 0.000 2.307 202 L HA 0.103 4.443 4.340 -0.000 0.000 0.211 202 L C 2.494 179.520 176.870 0.260 0.000 1.099 202 L CA -0.104 54.841 54.840 0.175 0.000 0.816 202 L CB -0.190 42.020 42.059 0.252 0.000 0.952 202 L HN 0.343 nan 8.230 nan 0.000 0.455 203 R N 1.017 121.650 120.500 0.222 0.000 2.112 203 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 203 R C 1.563 177.993 176.300 0.217 0.000 1.137 203 R CA 2.297 58.533 56.100 0.227 0.000 0.944 203 R CB -0.205 30.172 30.300 0.129 0.000 0.857 203 R HN 0.311 nan 8.270 nan 0.000 0.435 204 D N 0.330 120.801 120.400 0.119 0.000 2.348 204 D HA -0.112 4.528 4.640 -0.000 0.000 0.216 204 D C 1.722 178.030 176.300 0.013 0.000 0.970 204 D CA 0.448 54.490 54.000 0.069 0.000 0.889 204 D CB 0.086 40.911 40.800 0.041 0.000 0.912 204 D HN 0.199 nan 8.370 nan 0.000 0.524 205 L N -0.340 120.850 121.223 -0.056 0.000 2.109 205 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 205 L C 1.710 178.400 176.870 -0.300 0.000 1.086 205 L CA 1.385 56.077 54.840 -0.247 0.000 0.760 205 L CB -0.465 41.331 42.059 -0.439 0.000 0.910 205 L HN -0.105 nan 8.230 nan 0.000 0.437 206 F N -0.822 119.138 119.950 0.017 0.000 2.416 206 F HA 0.102 4.629 4.527 -0.000 0.000 0.296 206 F C 1.235 177.048 175.800 0.021 0.000 1.099 206 F CA -0.046 57.965 58.000 0.017 0.000 1.427 206 F CB -0.410 38.601 39.000 0.018 0.000 1.079 206 F HN -0.199 nan 8.300 nan 0.000 0.536 207 I N 0.823 121.504 120.570 0.184 0.000 2.494 207 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 207 I C 1.245 177.405 176.117 0.071 0.000 1.106 207 I CA 0.546 61.917 61.300 0.119 0.000 1.369 207 I CB -0.167 37.896 38.000 0.104 0.000 1.410 207 I HN 0.432 nan 8.210 nan 0.000 0.523 208 G N 4.521 113.361 108.800 0.067 0.000 2.176 208 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.232 208 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.232 208 G C 0.946 175.866 174.900 0.033 0.000 0.986 208 G CA 0.156 45.282 45.100 0.043 0.000 0.643 208 G HN 0.758 nan 8.290 nan 0.000 0.522 209 A N 0.395 123.242 122.820 0.045 0.000 2.167 209 A HA 0.474 4.794 4.320 -0.000 0.000 0.214 209 A C 1.318 178.930 177.584 0.046 0.000 1.151 209 A CA 1.729 53.786 52.037 0.032 0.000 0.735 209 A CB -0.429 18.597 19.000 0.043 0.000 0.802 209 A HN 1.300 nan 8.150 nan 0.000 0.467 210 E N -2.525 117.710 120.200 0.057 0.000 2.440 210 E HA -0.256 4.094 4.350 -0.000 0.000 0.246 210 E C 0.824 177.455 176.600 0.052 0.000 1.165 210 E CA 0.384 56.816 56.400 0.053 0.000 0.726 210 E CB -2.169 27.557 29.700 0.043 0.000 1.271 210 E HN 1.493 nan 8.360 nan 0.000 0.397 211 G N -0.494 108.346 108.800 0.067 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 0.780 175.715 174.900 0.058 0.000 0.983 211 G CA 1.298 46.436 45.100 0.064 0.000 0.676 211 G HN 0.725 nan 8.290 nan 0.000 0.528 212 T N -2.065 112.522 114.554 0.055 0.000 3.100 212 T HA 0.466 4.816 4.350 -0.000 0.000 0.253 212 T C 1.845 176.575 174.700 0.051 0.000 1.118 212 T CA 0.984 63.108 62.100 0.039 0.000 1.058 212 T CB 0.101 68.981 68.868 0.019 0.000 0.953 212 T HN 0.395 nan 8.240 nan 0.000 0.515 213 L N 0.146 121.426 121.223 0.095 0.000 2.858 213 L HA 0.569 4.909 4.340 -0.000 0.000 0.251 213 L C 1.076 178.102 176.870 0.261 0.000 1.149 213 L CA -0.240 54.680 54.840 0.134 0.000 0.955 213 L CB 0.532 42.618 42.059 0.045 0.000 1.289 213 L HN 0.580 nan 8.230 nan 0.000 0.542 214 G N 0.499 109.413 108.800 0.190 0.000 2.368 214 G HA2 0.179 4.139 3.960 -0.000 0.000 0.302 214 G HA3 0.179 4.139 3.960 -0.000 0.000 0.302 214 G C -1.561 173.375 174.900 0.060 0.000 1.329 214 G CA -0.855 44.318 45.100 0.121 0.000 0.935 214 G HN -0.095 nan 8.290 nan 0.000 0.590 215 I N 1.092 121.660 120.570 -0.004 0.000 2.355 215 I HA 0.357 4.527 4.170 -0.000 0.000 0.288 215 I C 0.326 176.408 176.117 -0.059 0.000 0.999 215 I CA -0.660 60.630 61.300 -0.016 0.000 1.163 215 I CB 1.450 39.441 38.000 -0.015 0.000 1.316 215 I HN 0.293 nan 8.210 nan 0.000 0.454 216 I N 5.932 126.474 120.570 -0.047 0.000 2.517 216 I HA -0.008 4.162 4.170 -0.000 0.000 0.285 216 I C 1.472 177.560 176.117 -0.048 0.000 1.106 216 I CA 0.350 61.609 61.300 -0.068 0.000 1.402 216 I CB 1.025 39.008 38.000 -0.029 0.000 1.399 216 I HN 0.705 nan 8.210 nan 0.000 0.535 217 T N 1.996 116.513 114.554 -0.061 0.000 2.990 217 T HA 0.537 4.887 4.350 -0.000 0.000 0.249 217 T C 0.374 175.049 174.700 -0.043 0.000 1.039 217 T CA 0.145 62.218 62.100 -0.046 0.000 1.036 217 T CB 0.547 69.386 68.868 -0.048 0.000 0.994 217 T HN 0.662 nan 8.240 nan 0.000 0.489 218 A N 0.114 122.905 122.820 -0.047 0.000 2.586 218 A HA 0.910 5.230 4.320 -0.000 0.000 0.290 218 A C -1.547 176.014 177.584 -0.039 0.000 1.086 218 A CA -0.602 51.410 52.037 -0.042 0.000 0.665 218 A CB 0.983 19.957 19.000 -0.043 0.000 1.279 218 A HN 1.248 nan 8.150 nan 0.000 0.423 219 A N -0.219 122.581 122.820 -0.034 0.000 2.594 219 A HA 0.769 5.089 4.320 -0.000 0.000 0.296 219 A C -0.662 176.907 177.584 -0.026 0.000 1.061 219 A CA -0.171 51.853 52.037 -0.022 0.000 0.689 219 A CB 1.061 20.060 19.000 -0.003 0.000 1.280 219 A HN 1.179 nan 8.150 nan 0.000 0.406 220 T N 2.387 116.934 114.554 -0.011 0.000 2.767 220 T HA 0.617 4.967 4.350 -0.000 0.000 0.284 220 T C -0.249 174.460 174.700 0.015 0.000 0.973 220 T CA 0.018 62.111 62.100 -0.012 0.000 0.996 220 T CB 0.078 68.941 68.868 -0.009 0.000 0.927 220 T HN 0.455 nan 8.240 nan 0.000 0.456 221 L N 2.383 123.612 121.223 0.010 0.000 2.301 221 L HA 0.587 4.927 4.340 -0.000 0.000 0.264 221 L C 0.274 177.209 176.870 0.109 0.000 1.016 221 L CA -1.345 53.551 54.840 0.094 0.000 0.821 221 L CB 1.691 43.794 42.059 0.074 0.000 1.346 221 L HN 0.358 nan 8.230 nan 0.000 0.429 222 K N 1.409 121.926 120.400 0.195 0.000 2.185 222 K HA 0.565 4.885 4.320 -0.000 0.000 0.271 222 K C -1.016 175.692 176.600 0.180 0.000 1.013 222 K CA -0.352 55.977 56.287 0.070 0.000 0.943 222 K CB 1.036 33.490 32.500 -0.078 0.000 0.998 222 K HN 0.348 nan 8.250 nan 0.000 0.468 223 L N 2.787 124.006 121.223 -0.006 0.000 2.334 223 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 223 L C -0.728 176.076 176.870 -0.111 0.000 1.013 223 L CA -0.868 54.036 54.840 0.108 0.000 0.816 223 L CB 0.812 42.911 42.059 0.066 0.000 1.278 223 L HN 0.459 nan 8.230 nan 0.000 0.431 224 F N 0.778 120.749 119.950 0.035 0.000 2.598 224 F HA 0.561 5.088 4.527 -0.000 0.000 0.327 224 F C -2.147 173.665 175.800 0.020 0.000 1.057 224 F CA -2.434 55.578 58.000 0.020 0.000 0.957 224 F CB 1.084 40.066 39.000 -0.031 0.000 1.278 224 F HN 0.191 nan 8.300 nan 0.000 0.484 225 P HA 0.075 nan 4.420 nan 0.000 0.271 225 P C -1.105 176.276 177.300 0.135 0.000 1.216 225 P CA -0.471 62.716 63.100 0.145 0.000 0.776 225 P CB 0.548 32.328 31.700 0.133 0.000 0.881 226 K N 4.731 125.184 120.400 0.089 0.000 2.349 226 K HA 0.220 4.539 4.320 -0.000 0.000 0.288 226 K C -1.975 174.666 176.600 0.068 0.000 1.058 226 K CA -1.775 54.551 56.287 0.065 0.000 0.953 226 K CB -0.089 32.439 32.500 0.046 0.000 0.997 226 K HN 0.351 nan 8.250 nan 0.000 0.477 227 P HA 0.065 nan 4.420 nan 0.000 0.272 227 P C -0.382 176.951 177.300 0.055 0.000 1.223 227 P CA -0.187 62.957 63.100 0.073 0.000 0.784 227 P CB 1.161 32.911 31.700 0.083 0.000 0.923 228 R N 1.368 121.900 120.500 0.053 0.000 2.156 228 R HA 0.337 4.677 4.340 -0.000 0.000 0.207 228 R C 0.369 176.695 176.300 0.043 0.000 1.040 228 R CA 0.807 56.933 56.100 0.044 0.000 1.013 228 R CB -0.107 30.218 30.300 0.041 0.000 0.931 228 R HN 0.640 nan 8.270 nan 0.000 0.465 229 A N -0.234 122.616 122.820 0.050 0.000 2.414 229 A HA 0.680 5.000 4.320 -0.000 0.000 0.306 229 A C -1.482 176.140 177.584 0.063 0.000 1.054 229 A CA -0.640 51.428 52.037 0.052 0.000 0.724 229 A CB 2.057 21.087 19.000 0.049 0.000 1.267 229 A HN -0.020 nan 8.150 nan 0.000 0.418 230 V N 2.821 122.776 119.914 0.069 0.000 2.525 230 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 230 V C -0.886 175.270 176.094 0.103 0.000 1.034 230 V CA -0.598 61.756 62.300 0.089 0.000 0.863 230 V CB 1.645 33.522 31.823 0.090 0.000 0.999 230 V HN 0.924 nan 8.190 nan 0.000 0.423 231 E N 2.352 122.620 120.200 0.114 0.000 2.238 231 E HA 0.736 5.086 4.350 -0.000 0.000 0.267 231 E C -0.856 175.834 176.600 0.149 0.000 0.887 231 E CA -0.507 55.964 56.400 0.117 0.000 0.769 231 E CB 2.632 32.388 29.700 0.093 0.000 1.187 231 E HN 0.670 nan 8.360 nan 0.000 0.416 232 T N 0.311 114.965 114.554 0.168 0.000 2.912 232 T HA 0.786 5.136 4.350 -0.000 0.000 0.299 232 T C -0.887 173.944 174.700 0.219 0.000 1.052 232 T CA -0.802 61.413 62.100 0.191 0.000 0.996 232 T CB 1.892 70.927 68.868 0.279 0.000 1.070 232 T HN 0.515 nan 8.240 nan 0.000 0.465 233 A N 1.758 124.628 122.820 0.083 0.000 2.515 233 A HA 0.834 5.154 4.320 -0.000 0.000 0.298 233 A C -1.862 175.569 177.584 -0.256 0.000 1.059 233 A CA -0.667 51.397 52.037 0.046 0.000 0.698 233 A CB 1.308 20.318 19.000 0.016 0.000 1.289 233 A HN 0.692 nan 8.150 nan 0.000 0.404 234 F N 1.657 121.345 119.950 -0.437 0.000 2.444 234 F HA 0.609 5.136 4.527 -0.000 0.000 0.342 234 F C -0.224 175.403 175.800 -0.289 0.000 1.121 234 F CA -0.339 57.322 58.000 -0.564 0.000 0.997 234 F CB 2.071 40.492 39.000 -0.966 0.000 1.130 234 F HN 0.366 nan 8.300 nan 0.000 0.454 235 V N 3.595 123.489 119.914 -0.033 0.000 2.604 235 V HA 0.726 4.846 4.120 -0.000 0.000 0.305 235 V C 0.070 176.112 176.094 -0.087 0.000 1.043 235 V CA -0.915 61.322 62.300 -0.106 0.000 0.888 235 V CB 1.718 33.412 31.823 -0.216 0.000 0.995 235 V HN 0.872 nan 8.190 nan 0.000 0.429 236 G N 3.798 112.397 108.800 -0.335 0.000 2.368 236 G HA2 0.712 4.672 3.960 -0.000 0.000 0.320 236 G HA3 0.712 4.672 3.960 -0.000 0.000 0.320 236 G C -1.302 173.205 174.900 -0.656 0.000 1.158 236 G CA -0.270 44.413 45.100 -0.696 0.000 0.912 236 G HN 0.438 nan 8.290 nan 0.000 0.456 237 L N 0.830 121.825 121.223 -0.380 0.000 2.303 237 L HA 0.501 4.840 4.340 -0.000 0.000 0.256 237 L C 1.043 177.915 176.870 0.003 0.000 1.034 237 L CA -0.845 53.889 54.840 -0.176 0.000 0.832 237 L CB 1.729 43.736 42.059 -0.086 0.000 1.403 237 L HN 0.311 nan 8.230 nan 0.000 0.419 238 Q N 0.040 119.864 119.800 0.041 0.000 2.376 238 Q HA 0.220 4.560 4.340 -0.000 0.000 0.206 238 Q C -0.101 175.996 176.000 0.161 0.000 0.921 238 Q CA 0.507 56.381 55.803 0.118 0.000 0.911 238 Q CB 0.707 29.487 28.738 0.070 0.000 1.032 238 Q HN 0.780 nan 8.270 nan 0.000 0.510 239 S N -2.123 113.594 115.700 0.028 0.000 2.565 239 S HA 0.385 4.855 4.470 -0.000 0.000 0.269 239 S C -2.646 171.698 174.600 -0.428 0.000 1.153 239 S CA -1.133 56.946 58.200 -0.202 0.000 0.835 239 S CB 1.958 65.083 63.200 -0.125 0.000 1.122 239 S HN -0.298 nan 8.310 nan 0.000 0.462 240 P HA -0.038 nan 4.420 nan 0.000 0.218 240 P C 0.832 177.961 177.300 -0.286 0.000 1.149 240 P CA 1.271 63.994 63.100 -0.628 0.000 0.817 240 P CB -0.015 31.228 31.700 -0.761 0.000 0.785 241 D N -0.778 119.484 120.400 -0.229 0.000 2.117 241 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 241 D C 1.438 177.680 176.300 -0.098 0.000 0.987 241 D CA 1.227 55.147 54.000 -0.133 0.000 0.829 241 D CB -0.496 40.240 40.800 -0.105 0.000 0.961 241 D HN -0.014 nan 8.370 nan 0.000 0.460 242 D N -0.428 119.914 120.400 -0.097 0.000 2.144 242 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 242 D C 1.928 178.206 176.300 -0.037 0.000 0.978 242 D CA 1.240 55.202 54.000 -0.063 0.000 0.833 242 D CB -0.457 40.307 40.800 -0.059 0.000 0.961 242 D HN 0.280 nan 8.370 nan 0.000 0.470 243 A N 0.548 123.348 122.820 -0.033 0.000 1.972 243 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 243 A C 2.094 179.732 177.584 0.091 0.000 1.169 243 A CA 0.879 52.960 52.037 0.073 0.000 0.635 243 A CB -0.574 18.470 19.000 0.074 0.000 0.810 243 A HN 0.247 nan 8.150 nan 0.000 0.446 244 L N -0.230 120.981 121.223 -0.019 0.000 2.093 244 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 244 L C 2.119 178.936 176.870 -0.089 0.000 1.085 244 L CA 2.100 56.897 54.840 -0.071 0.000 0.755 244 L CB -0.510 41.501 42.059 -0.080 0.000 0.904 244 L HN 0.326 nan 8.230 nan 0.000 0.435 245 K N -0.956 119.408 120.400 -0.059 0.000 2.097 245 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 245 K C 1.992 178.562 176.600 -0.050 0.000 1.050 245 K CA 1.398 57.651 56.287 -0.056 0.000 0.938 245 K CB -0.367 32.107 32.500 -0.043 0.000 0.718 245 K HN 0.222 nan 8.250 nan 0.000 0.442 246 L N 1.322 122.542 121.223 -0.006 0.000 2.046 246 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 246 L C 2.046 178.899 176.870 -0.027 0.000 1.077 246 L CA 1.306 56.180 54.840 0.057 0.000 0.747 246 L CB -0.566 41.608 42.059 0.192 0.000 0.896 246 L HN 0.097 nan 8.230 nan 0.000 0.432 247 L N -0.079 120.975 121.223 -0.283 0.000 2.013 247 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 247 L C 2.342 178.987 176.870 -0.374 0.000 1.073 247 L CA 2.255 56.615 54.840 -0.800 0.000 0.753 247 L CB -1.546 39.977 42.059 -0.892 0.000 0.890 247 L HN 0.324 nan 8.230 nan 0.000 0.432 248 G N -0.315 108.353 108.800 -0.221 0.000 2.446 248 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 248 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 248 G C 1.644 176.485 174.900 -0.099 0.000 1.168 248 G CA 1.269 46.286 45.100 -0.139 0.000 0.771 248 G HN 0.507 nan 8.290 nan 0.000 0.551 249 I N 1.349 121.875 120.570 -0.073 0.000 2.179 249 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 249 I C 3.314 179.415 176.117 -0.026 0.000 1.088 249 I CA 1.056 62.336 61.300 -0.034 0.000 1.357 249 I CB -0.279 37.716 38.000 -0.008 0.000 1.051 249 I HN 0.251 nan 8.210 nan 0.000 0.409 250 A N 0.174 122.977 122.820 -0.029 0.000 1.902 250 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 250 A C 2.261 179.824 177.584 -0.035 0.000 1.181 250 A CA 1.604 53.645 52.037 0.007 0.000 0.623 250 A CB -0.624 18.430 19.000 0.089 0.000 0.818 250 A HN 0.477 nan 8.150 nan 0.000 0.443 251 Q N -0.917 118.824 119.800 -0.097 0.000 2.084 251 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 251 Q C 2.209 178.177 176.000 -0.054 0.000 0.978 251 Q CA 1.253 57.003 55.803 -0.088 0.000 0.844 251 Q CB -0.434 28.231 28.738 -0.122 0.000 0.898 251 Q HN 0.679 nan 8.270 nan 0.000 0.426 252 G N 0.356 109.127 108.800 -0.048 0.000 2.422 252 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 252 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 252 G C 1.259 176.149 174.900 -0.016 0.000 1.140 252 G CA 0.802 45.883 45.100 -0.031 0.000 0.775 252 G HN 0.236 nan 8.290 nan 0.000 0.545 253 E N -0.278 119.916 120.200 -0.009 0.000 2.276 253 E HA 0.351 4.701 4.350 -0.000 0.000 0.193 253 E C 2.289 178.893 176.600 0.008 0.000 0.983 253 E CA 0.899 57.302 56.400 0.004 0.000 0.861 253 E CB 0.082 29.791 29.700 0.015 0.000 0.817 253 E HN 0.275 nan 8.360 nan 0.000 0.485 254 A N -0.332 122.490 122.820 0.004 0.000 2.192 254 A HA 0.669 4.989 4.320 -0.000 0.000 0.208 254 A C 1.401 178.978 177.584 -0.010 0.000 1.220 254 A CA 0.848 52.888 52.037 0.006 0.000 0.900 254 A CB -0.093 18.919 19.000 0.020 0.000 0.937 254 A HN 0.307 nan 8.150 nan 0.000 0.487 255 A N -0.930 121.876 122.820 -0.023 0.000 5.308 255 A HA -0.231 4.089 4.320 -0.000 0.000 0.321 255 A C 2.176 179.727 177.584 -0.054 0.000 1.849 255 A CA 2.055 54.070 52.037 -0.036 0.000 0.713 255 A CB -1.979 17.006 19.000 -0.024 0.000 1.360 255 A HN 1.704 nan 8.150 nan 0.000 0.384 256 G N -1.152 107.614 108.800 -0.056 0.000 2.559 256 G HA2 0.001 3.961 3.960 -0.000 0.000 0.216 256 G HA3 0.001 3.961 3.960 -0.000 0.000 0.216 256 G C 0.808 175.635 174.900 -0.123 0.000 1.126 256 G CA 1.368 46.410 45.100 -0.098 0.000 0.778 256 G HN 0.702 nan 8.290 nan 0.000 0.543 257 N N -0.182 118.482 118.700 -0.061 0.000 2.461 257 N HA 0.042 4.782 4.740 -0.000 0.000 0.188 257 N C 0.364 175.858 175.510 -0.027 0.000 1.134 257 N CA -0.087 52.941 53.050 -0.035 0.000 0.878 257 N CB 0.163 38.654 38.487 0.006 0.000 0.972 257 N HN 0.248 nan 8.380 nan 0.000 0.456 258 L N 1.822 123.022 121.223 -0.039 0.000 2.385 258 L HA 0.154 4.494 4.340 -0.000 0.000 0.285 258 L C 1.212 178.066 176.870 -0.028 0.000 1.125 258 L CA 0.250 55.094 54.840 0.007 0.000 0.890 258 L CB 0.001 42.072 42.059 0.019 0.000 1.251 258 L HN 0.060 nan 8.230 nan 0.000 0.445 259 T N -1.118 113.441 114.554 0.008 0.000 3.060 259 T HA 0.288 4.638 4.350 -0.000 0.000 0.249 259 T C 0.525 175.278 174.700 0.089 0.000 1.079 259 T CA 0.125 62.221 62.100 -0.007 0.000 1.013 259 T CB -0.065 68.827 68.868 0.040 0.000 0.975 259 T HN 0.477 nan 8.240 nan 0.000 0.518 260 S N 0.193 115.995 115.700 0.169 0.000 2.562 260 S HA 0.584 5.054 4.470 -0.000 0.000 0.274 260 S C -2.019 172.736 174.600 0.259 0.000 1.160 260 S CA -0.804 57.550 58.200 0.256 0.000 0.933 260 S CB 1.560 65.032 63.200 0.454 0.000 1.100 260 S HN 0.330 nan 8.310 nan 0.000 0.468 261 F N 2.742 122.755 119.950 0.105 0.000 3.094 261 F HA 0.379 4.906 4.527 -0.000 0.000 0.385 261 F C -0.560 175.290 175.800 0.085 0.000 1.231 261 F CA -0.227 57.803 58.000 0.051 0.000 1.207 261 F CB 0.668 39.682 39.000 0.025 0.000 1.703 261 F HN 0.407 nan 8.300 nan 0.000 0.610 262 E N 4.040 124.235 120.200 -0.009 0.000 2.249 262 E HA 0.328 4.678 4.350 -0.000 0.000 0.280 262 E C -1.227 175.378 176.600 0.007 0.000 1.016 262 E CA -0.846 55.599 56.400 0.075 0.000 0.830 262 E CB 2.661 32.379 29.700 0.031 0.000 1.081 262 E HN 0.488 nan 8.360 nan 0.000 0.395 263 L N 4.149 125.467 121.223 0.159 0.000 2.296 263 L HA 0.467 4.807 4.340 -0.000 0.000 0.286 263 L C -0.973 176.090 176.870 0.321 0.000 1.023 263 L CA -0.267 54.712 54.840 0.230 0.000 0.812 263 L CB 0.636 42.849 42.059 0.257 0.000 1.223 263 L HN 0.425 nan 8.230 nan 0.000 0.421 264 I N 5.124 125.906 120.570 0.353 0.000 2.478 264 I HA 0.571 4.741 4.170 -0.000 0.000 0.287 264 I C 0.124 176.385 176.117 0.239 0.000 1.042 264 I CA -0.789 60.685 61.300 0.290 0.000 1.067 264 I CB 1.869 39.947 38.000 0.131 0.000 1.233 264 I HN 0.759 nan 8.210 nan 0.000 0.431 265 A N 4.453 127.250 122.820 -0.038 0.000 2.366 265 A HA 0.187 4.507 4.320 -0.000 0.000 0.249 265 A C 1.269 178.637 177.584 -0.361 0.000 1.084 265 A CA -0.122 51.491 52.037 -0.707 0.000 0.794 265 A CB 0.508 19.016 19.000 -0.820 0.000 1.034 265 A HN 0.925 nan 8.150 nan 0.000 0.491 266 E N 0.541 120.495 120.200 -0.409 0.000 2.085 266 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 266 E C 1.587 178.022 176.600 -0.275 0.000 0.994 266 E CA 1.997 58.310 56.400 -0.144 0.000 0.801 266 E CB -0.175 29.438 29.700 -0.146 0.000 0.743 266 E HN 0.805 nan 8.360 nan 0.000 0.453 267 T N 1.474 115.794 114.554 -0.391 0.000 2.652 267 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 267 T C -1.071 173.107 174.700 -0.871 0.000 1.039 267 T CA 1.925 63.668 62.100 -0.595 0.000 1.153 267 T CB -1.163 67.363 68.868 -0.569 0.000 0.863 267 T HN 0.321 nan 8.240 nan 0.000 0.428 268 P HA -0.023 nan 4.420 nan 0.000 0.216 268 P C 1.835 178.910 177.300 -0.375 0.000 1.150 268 P CA 0.872 63.658 63.100 -0.522 0.000 0.837 268 P CB -0.244 31.231 31.700 -0.375 0.000 0.786 269 L N 0.081 121.098 121.223 -0.343 0.000 2.083 269 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 269 L C 2.262 178.981 176.870 -0.252 0.000 1.083 269 L CA 2.037 56.680 54.840 -0.328 0.000 0.752 269 L CB -0.913 40.844 42.059 -0.504 0.000 0.899 269 L HN -0.123 nan 8.230 nan 0.000 0.433 270 D N -0.638 119.615 120.400 -0.245 0.000 2.117 270 D HA -0.235 4.405 4.640 -0.000 0.000 0.197 270 D C 1.984 178.325 176.300 0.067 0.000 0.987 270 D CA 1.551 55.478 54.000 -0.122 0.000 0.829 270 D CB -0.081 40.642 40.800 -0.128 0.000 0.961 270 D HN 0.317 nan 8.370 nan 0.000 0.460 271 F N 0.660 120.578 119.950 -0.053 0.000 2.102 271 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 271 F C 2.917 178.729 175.800 0.020 0.000 1.105 271 F CA 0.880 58.911 58.000 0.052 0.000 1.239 271 F CB -1.458 37.556 39.000 0.023 0.000 0.991 271 F HN -0.011 nan 8.300 nan 0.000 0.474 272 S N -0.040 115.733 115.700 0.122 0.000 2.382 272 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 272 S C 2.266 176.862 174.600 -0.006 0.000 1.027 272 S CA 1.207 59.424 58.200 0.028 0.000 0.991 272 S CB -0.457 62.709 63.200 -0.057 0.000 0.823 272 S HN 0.080 nan 8.310 nan 0.000 0.469 273 V N 1.865 121.750 119.914 -0.049 0.000 2.270 273 V HA -0.086 4.034 4.120 -0.000 0.000 0.245 273 V C 2.635 178.680 176.094 -0.082 0.000 1.043 273 V CA 1.880 64.133 62.300 -0.078 0.000 1.014 273 V CB -0.588 31.167 31.823 -0.112 0.000 0.645 273 V HN 0.432 nan 8.190 nan 0.000 0.447 274 R N -0.971 119.463 120.500 -0.110 0.000 2.115 274 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 274 R C 1.974 178.049 176.300 -0.375 0.000 1.100 274 R CA 1.108 57.050 56.100 -0.264 0.000 0.980 274 R CB -0.191 29.890 30.300 -0.365 0.000 0.875 274 R HN 0.622 nan 8.270 nan 0.000 0.445 275 H N -1.744 117.316 119.070 -0.015 0.000 2.705 275 H HA 0.307 4.863 4.556 -0.000 0.000 0.269 275 H C 0.671 175.984 175.328 -0.024 0.000 0.998 275 H CA 0.485 56.513 56.048 -0.034 0.000 1.193 275 H CB 1.197 30.920 29.762 -0.065 0.000 1.485 275 H HN 0.167 nan 8.280 nan 0.000 0.521 276 A N 0.817 123.676 122.820 0.064 0.000 2.571 276 A HA 0.100 4.420 4.320 -0.000 0.000 0.274 276 A C 0.533 178.124 177.584 0.013 0.000 1.196 276 A CA -0.122 51.938 52.037 0.039 0.000 0.957 276 A CB 0.062 19.085 19.000 0.039 0.000 1.150 276 A HN 0.284 nan 8.150 nan 0.000 0.539 277 N N 1.036 119.732 118.700 -0.007 0.000 2.696 277 N HA -0.143 4.597 4.740 -0.000 0.000 0.256 277 N C -1.276 174.225 175.510 -0.015 0.000 1.031 277 N CA 0.791 53.830 53.050 -0.018 0.000 0.730 277 N CB -1.451 37.030 38.487 -0.010 0.000 0.894 277 N HN 0.550 nan 8.380 nan 0.000 0.544 278 N N 0.655 119.339 118.700 -0.026 0.000 2.335 278 N HA 0.300 5.040 4.740 -0.000 0.000 0.304 278 N C -0.241 175.238 175.510 -0.051 0.000 1.135 278 N CA -0.574 52.460 53.050 -0.027 0.000 0.817 278 N CB 1.403 39.875 38.487 -0.026 0.000 1.294 278 N HN 0.321 nan 8.380 nan 0.000 0.497 279 R N 0.879 121.354 120.500 -0.043 0.000 2.298 279 R HA 0.053 4.393 4.340 -0.000 0.000 0.310 279 R C -0.597 175.637 176.300 -0.110 0.000 1.068 279 R CA -0.431 55.636 56.100 -0.054 0.000 0.957 279 R CB 0.430 30.717 30.300 -0.022 0.000 1.003 279 R HN 0.426 nan 8.270 nan 0.000 0.454 280 D N 6.081 126.405 120.400 -0.127 0.000 2.382 280 D HA 0.020 4.660 4.640 -0.000 0.000 0.259 280 D C -1.404 174.789 176.300 -0.179 0.000 1.224 280 D CA -1.773 52.112 54.000 -0.191 0.000 0.894 280 D CB 1.464 42.183 40.800 -0.135 0.000 1.127 280 D HN 0.420 nan 8.370 nan 0.000 0.487 281 P HA 0.043 nan 4.420 nan 0.000 0.241 281 P C 0.018 177.255 177.300 -0.105 0.000 1.191 281 P CA 0.372 63.322 63.100 -0.250 0.000 0.771 281 P CB 0.478 31.678 31.700 -0.833 0.000 0.929 282 L N -1.159 120.031 121.223 -0.055 0.000 2.371 282 L HA 0.338 4.678 4.340 -0.000 0.000 0.262 282 L C 1.699 178.615 176.870 0.077 0.000 1.006 282 L CA -0.828 54.060 54.840 0.080 0.000 0.818 282 L CB 2.046 44.239 42.059 0.223 0.000 1.354 282 L HN -0.350 nan 8.230 nan 0.000 0.415 283 E N 1.387 121.644 120.200 0.096 0.000 2.085 283 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 283 E C 0.282 176.895 176.600 0.022 0.000 0.994 283 E CA 1.480 57.913 56.400 0.056 0.000 0.801 283 E CB 0.292 30.032 29.700 0.068 0.000 0.743 283 E HN 0.634 nan 8.360 nan 0.000 0.453 284 A N -0.497 122.339 122.820 0.027 0.000 2.350 284 A HA 0.678 4.998 4.320 -0.000 0.000 0.318 284 A C -0.681 176.747 177.584 -0.260 0.000 1.132 284 A CA -0.756 51.192 52.037 -0.148 0.000 0.811 284 A CB 1.170 20.019 19.000 -0.253 0.000 1.313 284 A HN -0.007 nan 8.150 nan 0.000 0.454 285 R N -0.187 120.100 120.500 -0.356 0.000 2.410 285 R HA 0.501 4.841 4.340 -0.000 0.000 0.288 285 R C -1.653 174.259 176.300 -0.647 0.000 1.051 285 R CA 0.169 56.108 56.100 -0.269 0.000 1.021 285 R CB 0.547 30.764 30.300 -0.139 0.000 1.032 285 R HN 0.680 nan 8.270 nan 0.000 0.481 286 Y N 1.788 121.985 120.300 -0.171 0.000 2.499 286 Y HA 0.288 4.838 4.550 -0.000 0.000 0.347 286 Y C -1.278 174.393 175.900 -0.381 0.000 0.987 286 Y CA -2.180 55.699 58.100 -0.368 0.000 1.044 286 Y CB 1.862 39.960 38.460 -0.604 0.000 1.245 286 Y HN 0.413 nan 8.280 nan 0.000 0.461 287 P HA -0.103 nan 4.420 nan 0.000 0.221 287 P C -0.746 176.227 177.300 -0.545 0.000 1.150 287 P CA 1.427 64.396 63.100 -0.219 0.000 0.800 287 P CB 0.531 32.228 31.700 -0.004 0.000 0.787 288 W N -1.262 119.957 121.300 -0.135 0.000 3.022 288 W HA 0.497 5.157 4.660 -0.000 0.000 0.335 288 W C -0.802 175.558 176.519 -0.264 0.000 1.133 288 W CA -0.504 56.794 57.345 -0.079 0.000 1.219 288 W CB 1.200 30.646 29.460 -0.025 0.000 1.409 288 W HN -0.247 nan 8.180 nan 0.000 0.507 289 Y N 0.760 121.209 120.300 0.248 0.000 2.545 289 Y HA 0.739 5.289 4.550 -0.000 0.000 0.348 289 Y C -0.415 175.498 175.900 0.021 0.000 1.002 289 Y CA -1.446 56.728 58.100 0.123 0.000 1.039 289 Y CB 1.842 40.417 38.460 0.190 0.000 1.271 289 Y HN -0.003 nan 8.280 nan 0.000 0.467 290 V N 3.385 123.293 119.914 -0.011 0.000 2.588 290 V HA 0.371 4.491 4.120 -0.000 0.000 0.304 290 V C -1.284 174.441 176.094 -0.615 0.000 1.042 290 V CA -0.745 61.358 62.300 -0.328 0.000 0.877 290 V CB 1.971 33.486 31.823 -0.514 0.000 0.996 290 V HN 0.518 nan 8.190 nan 0.000 0.425 291 L N 6.884 127.645 121.223 -0.769 0.000 2.276 291 L HA 0.630 4.970 4.340 -0.000 0.000 0.286 291 L C -0.595 175.862 176.870 -0.688 0.000 1.024 291 L CA 0.175 54.392 54.840 -1.038 0.000 0.826 291 L CB 0.853 42.169 42.059 -1.239 0.000 1.211 291 L HN 0.656 nan 8.230 nan 0.000 0.422 292 I N 4.279 124.513 120.570 -0.559 0.000 2.441 292 I HA 0.487 4.657 4.170 -0.000 0.000 0.295 292 I C -0.877 175.189 176.117 -0.086 0.000 0.994 292 I CA -0.324 60.784 61.300 -0.320 0.000 1.144 292 I CB 1.435 39.248 38.000 -0.311 0.000 1.314 292 I HN 0.759 nan 8.210 nan 0.000 0.445 293 E N 6.431 126.681 120.200 0.083 0.000 2.272 293 E HA 0.510 4.860 4.350 -0.000 0.000 0.269 293 E C -1.955 174.736 176.600 0.152 0.000 0.877 293 E CA -0.735 55.776 56.400 0.185 0.000 0.755 293 E CB 1.953 31.889 29.700 0.393 0.000 1.192 293 E HN 0.462 nan 8.360 nan 0.000 0.422 294 L N 2.145 123.444 121.223 0.128 0.000 2.346 294 L HA 0.501 4.841 4.340 -0.000 0.000 0.276 294 L C -0.734 176.192 176.870 0.092 0.000 1.006 294 L CA -0.418 54.478 54.840 0.094 0.000 0.817 294 L CB 2.138 44.243 42.059 0.078 0.000 1.272 294 L HN 0.403 nan 8.230 nan 0.000 0.421 295 S N 0.908 116.652 115.700 0.074 0.000 2.532 295 S HA 0.765 5.235 4.470 -0.000 0.000 0.299 295 S C -0.756 173.884 174.600 0.067 0.000 1.105 295 S CA -0.616 57.632 58.200 0.079 0.000 1.018 295 S CB 1.819 65.080 63.200 0.102 0.000 1.021 295 S HN 0.534 nan 8.310 nan 0.000 0.483 296 S N 2.348 118.088 115.700 0.066 0.000 2.569 296 S HA 0.623 5.093 4.470 -0.000 0.000 0.280 296 S C -2.195 172.442 174.600 0.062 0.000 1.111 296 S CA -1.851 56.384 58.200 0.059 0.000 0.887 296 S CB 1.487 64.716 63.200 0.050 0.000 1.095 296 S HN 0.406 nan 8.310 nan 0.000 0.476 297 P HA 0.063 nan 4.420 nan 0.000 0.225 297 P C 0.437 177.765 177.300 0.047 0.000 1.156 297 P CA 0.324 63.459 63.100 0.059 0.000 0.787 297 P CB 0.209 31.946 31.700 0.061 0.000 0.802 298 R N -0.304 120.222 120.500 0.043 0.000 2.893 298 R HA 0.354 4.694 4.340 -0.000 0.000 0.245 298 R C -0.169 176.154 176.300 0.037 0.000 1.192 298 R CA -0.593 55.529 56.100 0.036 0.000 1.077 298 R CB -0.978 29.341 30.300 0.032 0.000 1.253 298 R HN -0.072 nan 8.270 nan 0.000 0.505 299 D N 1.046 121.467 120.400 0.034 0.000 3.134 299 D HA 0.134 4.774 4.640 -0.000 0.000 0.248 299 D C -0.223 176.098 176.300 0.034 0.000 1.273 299 D CA 0.210 54.230 54.000 0.034 0.000 0.904 299 D CB -0.063 40.756 40.800 0.031 0.000 1.089 299 D HN 0.583 nan 8.370 nan 0.000 0.478 300 D N -1.675 118.747 120.400 0.036 0.000 2.571 300 D HA 0.177 4.817 4.640 -0.000 0.000 0.239 300 D C 1.413 177.737 176.300 0.040 0.000 1.267 300 D CA -0.448 53.574 54.000 0.036 0.000 0.823 300 D CB 0.190 41.009 40.800 0.031 0.000 1.056 300 D HN 0.061 nan 8.370 nan 0.000 0.494 301 A N 0.802 123.649 122.820 0.046 0.000 1.898 301 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 301 A C 2.233 179.850 177.584 0.056 0.000 1.183 301 A CA 0.968 53.036 52.037 0.053 0.000 0.622 301 A CB -0.460 18.576 19.000 0.060 0.000 0.824 301 A HN 0.191 nan 8.150 nan 0.000 0.444 302 R N -0.384 120.149 120.500 0.054 0.000 2.092 302 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 302 R C 2.220 178.552 176.300 0.053 0.000 1.119 302 R CA 1.230 57.364 56.100 0.057 0.000 0.970 302 R CB -0.308 30.024 30.300 0.054 0.000 0.864 302 R HN 0.452 nan 8.270 nan 0.000 0.440 303 A N 0.427 123.275 122.820 0.046 0.000 1.969 303 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 303 A C 2.233 179.844 177.584 0.044 0.000 1.169 303 A CA 1.501 53.564 52.037 0.043 0.000 0.635 303 A CB -0.479 18.542 19.000 0.036 0.000 0.810 303 A HN 0.498 nan 8.150 nan 0.000 0.445 304 A N -0.574 122.273 122.820 0.045 0.000 1.897 304 A HA 0.077 4.397 4.320 -0.000 0.000 0.215 304 A C 2.079 179.695 177.584 0.053 0.000 1.181 304 A CA 1.547 53.610 52.037 0.045 0.000 0.620 304 A CB -0.559 18.466 19.000 0.042 0.000 0.821 304 A HN 0.575 nan 8.150 nan 0.000 0.443 305 L N 0.362 121.620 121.223 0.059 0.000 2.017 305 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 305 L C 2.120 179.030 176.870 0.067 0.000 1.073 305 L CA 2.409 57.287 54.840 0.064 0.000 0.745 305 L CB -0.845 41.255 42.059 0.069 0.000 0.894 305 L HN 0.526 nan 8.230 nan 0.000 0.432 306 E N -1.335 118.907 120.200 0.069 0.000 2.153 306 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 306 E C 2.259 178.906 176.600 0.078 0.000 0.988 306 E CA 1.230 57.677 56.400 0.079 0.000 0.811 306 E CB -0.172 29.570 29.700 0.069 0.000 0.746 306 E HN 0.524 nan 8.360 nan 0.000 0.466 307 S N 0.337 116.074 115.700 0.063 0.000 2.387 307 S HA -0.094 4.376 4.470 -0.000 0.000 0.226 307 S C 1.939 176.574 174.600 0.058 0.000 1.026 307 S CA 0.581 58.814 58.200 0.056 0.000 0.972 307 S CB -0.095 63.131 63.200 0.043 0.000 0.814 307 S HN 0.161 nan 8.310 nan 0.000 0.477 308 I N 1.341 121.945 120.570 0.057 0.000 2.142 308 I HA -0.191 3.979 4.170 -0.000 0.000 0.240 308 I C 2.166 178.312 176.117 0.048 0.000 1.078 308 I CA 1.292 62.623 61.300 0.052 0.000 1.343 308 I CB -0.376 37.663 38.000 0.064 0.000 1.046 308 I HN 0.298 nan 8.210 nan 0.000 0.405 309 L N 0.147 121.403 121.223 0.055 0.000 2.191 309 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 309 L C 2.638 179.598 176.870 0.150 0.000 1.103 309 L CA 0.987 55.850 54.840 0.039 0.000 0.769 309 L CB -0.649 41.455 42.059 0.075 0.000 0.908 309 L HN 0.345 nan 8.230 nan 0.000 0.438 310 E N 0.970 121.274 120.200 0.173 0.000 2.047 310 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 310 E C 2.287 178.978 176.600 0.151 0.000 0.987 310 E CA 1.224 57.745 56.400 0.202 0.000 0.799 310 E CB 0.157 29.929 29.700 0.120 0.000 0.752 310 E HN 0.297 nan 8.360 nan 0.000 0.449 311 R N -0.181 120.371 120.500 0.087 0.000 2.091 311 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 311 R C 2.432 178.759 176.300 0.046 0.000 1.136 311 R CA 1.336 57.470 56.100 0.057 0.000 0.959 311 R CB -1.067 29.252 30.300 0.033 0.000 0.856 311 R HN 0.299 nan 8.270 nan 0.000 0.437 312 G N -0.450 108.359 108.800 0.014 0.000 2.446 312 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 312 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 312 G C 1.129 175.990 174.900 -0.065 0.000 1.168 312 G CA 0.661 45.721 45.100 -0.065 0.000 0.771 312 G HN 0.198 nan 8.290 nan 0.000 0.551 313 F N 1.064 121.012 119.950 -0.004 0.000 2.134 313 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 313 F C 2.624 178.422 175.800 -0.003 0.000 1.097 313 F CA 1.538 59.533 58.000 -0.007 0.000 1.264 313 F CB -0.310 38.688 39.000 -0.004 0.000 1.001 313 F HN 0.216 nan 8.300 nan 0.000 0.479 314 E N 0.544 120.861 120.200 0.195 0.000 2.077 314 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 314 E C 1.519 178.160 176.600 0.069 0.000 0.989 314 E CA 1.762 58.226 56.400 0.107 0.000 0.800 314 E CB -0.420 29.326 29.700 0.077 0.000 0.746 314 E HN 0.213 nan 8.360 nan 0.000 0.452 315 D N -0.931 119.499 120.400 0.050 0.000 2.348 315 D HA 0.062 4.701 4.640 -0.000 0.000 0.216 315 D C 1.091 177.403 176.300 0.020 0.000 0.970 315 D CA 1.131 55.145 54.000 0.024 0.000 0.889 315 D CB 0.077 40.880 40.800 0.006 0.000 0.912 315 D HN 0.390 nan 8.370 nan 0.000 0.524 316 G N 1.232 110.053 108.800 0.035 0.000 2.143 316 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.249 316 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.249 316 G C 1.069 175.964 174.900 -0.010 0.000 0.981 316 G CA 0.582 45.701 45.100 0.032 0.000 0.665 316 G HN 0.506 nan 8.290 nan 0.000 0.528 317 I N -2.494 118.050 120.570 -0.045 0.000 2.852 317 I HA 0.408 4.578 4.170 -0.000 0.000 0.264 317 I C 0.738 176.766 176.117 -0.148 0.000 1.179 317 I CA -0.026 61.230 61.300 -0.075 0.000 1.480 317 I CB 0.065 38.028 38.000 -0.061 0.000 1.111 317 I HN -0.024 nan 8.210 nan 0.000 0.441 318 V N 2.302 122.065 119.914 -0.251 0.000 2.432 318 V HA 0.149 4.268 4.120 -0.000 0.000 0.275 318 V C 1.117 176.956 176.094 -0.425 0.000 1.043 318 V CA -0.213 61.804 62.300 -0.472 0.000 0.925 318 V CB 1.709 33.020 31.823 -0.853 0.000 0.985 318 V HN 0.157 nan 8.190 nan 0.000 0.466 319 V N 2.941 122.642 119.914 -0.355 0.000 2.672 319 V HA 0.199 4.319 4.120 -0.000 0.000 0.242 319 V C 0.375 176.435 176.094 -0.056 0.000 1.059 319 V CA 0.928 63.132 62.300 -0.160 0.000 1.081 319 V CB 0.191 31.905 31.823 -0.182 0.000 0.752 319 V HN 0.933 nan 8.190 nan 0.000 0.472 320 D N -1.597 118.626 120.400 -0.295 0.000 2.602 320 D HA 0.698 5.338 4.640 -0.000 0.000 0.236 320 D C -1.181 175.048 176.300 -0.119 0.000 1.209 320 D CA 0.238 54.217 54.000 -0.035 0.000 0.831 320 D CB 2.279 43.092 40.800 0.022 0.000 1.478 320 D HN 0.321 nan 8.370 nan 0.000 0.438 321 A N 0.716 123.583 122.820 0.080 0.000 2.547 321 A HA 0.803 5.123 4.320 -0.000 0.000 0.297 321 A C -1.624 176.036 177.584 0.128 0.000 1.056 321 A CA -0.223 51.841 52.037 0.044 0.000 0.688 321 A CB 1.614 20.612 19.000 -0.003 0.000 1.282 321 A HN 0.745 nan 8.150 nan 0.000 0.400 322 A N 2.316 125.210 122.820 0.124 0.000 2.332 322 A HA 0.706 5.026 4.320 -0.000 0.000 0.300 322 A C -0.647 177.101 177.584 0.273 0.000 1.153 322 A CA -0.326 51.831 52.037 0.200 0.000 0.764 322 A CB 0.310 19.455 19.000 0.243 0.000 1.174 322 A HN 0.755 nan 8.150 nan 0.000 0.467 323 I N 2.670 123.379 120.570 0.231 0.000 2.342 323 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 323 I C 1.048 177.298 176.117 0.222 0.000 1.010 323 I CA -0.345 61.092 61.300 0.228 0.000 1.308 323 I CB 1.583 39.669 38.000 0.144 0.000 1.400 323 I HN 0.747 nan 8.210 nan 0.000 0.488 324 A N 5.713 128.678 122.820 0.242 0.000 2.548 324 A HA 0.070 4.390 4.320 -0.000 0.000 0.247 324 A C 0.696 178.281 177.584 0.001 0.000 1.067 324 A CA 0.022 52.044 52.037 -0.026 0.000 0.757 324 A CB -0.117 18.784 19.000 -0.165 0.000 0.996 324 A HN 0.802 nan 8.150 nan 0.000 0.504 325 N N 0.198 118.879 118.700 -0.031 0.000 2.205 325 N HA 0.088 4.828 4.740 -0.000 0.000 0.201 325 N C -0.102 175.397 175.510 -0.018 0.000 1.128 325 N CA 0.876 53.923 53.050 -0.005 0.000 0.867 325 N CB 0.372 38.863 38.487 0.006 0.000 0.996 325 N HN 0.794 nan 8.380 nan 0.000 0.503 326 S N -2.290 113.382 115.700 -0.047 0.000 2.638 326 S HA 0.403 4.873 4.470 -0.000 0.000 0.274 326 S C 0.910 175.486 174.600 -0.041 0.000 1.157 326 S CA -0.738 57.441 58.200 -0.035 0.000 0.826 326 S CB 1.436 64.613 63.200 -0.038 0.000 1.139 326 S HN -0.237 nan 8.310 nan 0.000 0.474 327 V N 1.473 121.377 119.914 -0.017 0.000 2.427 327 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 327 V C 3.488 179.572 176.094 -0.017 0.000 1.051 327 V CA 2.734 65.033 62.300 -0.002 0.000 1.048 327 V CB -1.742 30.088 31.823 0.011 0.000 0.666 327 V HN 0.999 nan 8.190 nan 0.000 0.456 328 Q N -0.388 119.394 119.800 -0.031 0.000 2.135 328 Q HA -0.329 4.011 4.340 -0.000 0.000 0.204 328 Q C 2.140 178.087 176.000 -0.089 0.000 0.981 328 Q CA 2.353 58.133 55.803 -0.039 0.000 0.856 328 Q CB -0.754 27.964 28.738 -0.034 0.000 0.902 328 Q HN 0.766 nan 8.270 nan 0.000 0.425 329 Q N -0.857 118.850 119.800 -0.155 0.000 2.123 329 Q HA -0.164 4.176 4.340 -0.000 0.000 0.199 329 Q C 2.339 178.026 176.000 -0.521 0.000 0.966 329 Q CA 1.314 56.914 55.803 -0.339 0.000 0.845 329 Q CB 0.058 28.583 28.738 -0.354 0.000 0.907 329 Q HN 0.833 nan 8.270 nan 0.000 0.439 330 Q N -0.124 119.518 119.800 -0.263 0.000 2.050 330 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 330 Q C 2.070 178.145 176.000 0.126 0.000 0.980 330 Q CA 1.528 57.289 55.803 -0.071 0.000 0.840 330 Q CB 0.022 28.825 28.738 0.109 0.000 0.898 330 Q HN 0.482 nan 8.270 nan 0.000 0.424 331 Q N -0.111 119.749 119.800 0.099 0.000 2.167 331 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 331 Q C 2.027 178.115 176.000 0.148 0.000 0.970 331 Q CA 1.128 57.029 55.803 0.162 0.000 0.855 331 Q CB -0.117 28.673 28.738 0.088 0.000 0.911 331 Q HN 0.350 nan 8.270 nan 0.000 0.438 332 A N 0.550 123.395 122.820 0.042 0.000 1.877 332 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 332 A C 1.679 179.381 177.584 0.197 0.000 1.186 332 A CA 1.120 53.190 52.037 0.055 0.000 0.620 332 A CB -0.615 18.361 19.000 -0.041 0.000 0.822 332 A HN 0.265 nan 8.150 nan 0.000 0.443 333 F N -1.532 118.456 119.950 0.064 0.000 2.069 333 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 333 F C 2.195 177.988 175.800 -0.013 0.000 1.113 333 F CA 0.259 58.292 58.000 0.056 0.000 1.214 333 F CB -1.529 37.454 39.000 -0.027 0.000 0.978 333 F HN 0.397 nan 8.300 nan 0.000 0.474 334 W N 0.649 122.125 121.300 0.294 0.000 2.363 334 W HA -0.137 4.523 4.660 -0.000 0.000 0.296 334 W C 2.588 179.178 176.519 0.118 0.000 1.212 334 W CA 1.334 58.778 57.345 0.164 0.000 1.260 334 W CB -0.474 29.053 29.460 0.111 0.000 1.131 334 W HN -0.065 nan 8.180 nan 0.000 0.530 335 K N 0.868 121.451 120.400 0.305 0.000 2.063 335 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 335 K C 2.011 178.692 176.600 0.135 0.000 1.048 335 K CA 1.523 57.921 56.287 0.185 0.000 0.928 335 K CB -0.557 32.020 32.500 0.128 0.000 0.713 335 K HN 0.213 nan 8.250 nan 0.000 0.442 336 L N 0.863 122.160 121.223 0.124 0.000 2.012 336 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 336 L C 2.638 179.530 176.870 0.035 0.000 1.073 336 L CA 1.609 56.481 54.840 0.053 0.000 0.748 336 L CB -0.300 41.772 42.059 0.023 0.000 0.891 336 L HN 0.157 nan 8.230 nan 0.000 0.431 337 R N 0.427 120.978 120.500 0.085 0.000 2.066 337 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 337 R C 2.020 178.368 176.300 0.080 0.000 1.131 337 R CA 1.990 58.123 56.100 0.054 0.000 0.955 337 R CB -0.551 29.793 30.300 0.073 0.000 0.851 337 R HN 0.465 nan 8.270 nan 0.000 0.432 338 E N 0.154 120.462 120.200 0.179 0.000 2.204 338 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 338 E C 0.952 177.596 176.600 0.075 0.000 0.990 338 E CA 1.261 57.752 56.400 0.152 0.000 0.821 338 E CB 0.045 29.852 29.700 0.178 0.000 0.750 338 E HN 0.528 nan 8.360 nan 0.000 0.477 339 E N 0.067 120.294 120.200 0.045 0.000 2.444 339 E HA 0.086 4.436 4.350 -0.000 0.000 0.191 339 E C 1.435 178.020 176.600 -0.024 0.000 1.041 339 E CA -0.222 56.191 56.400 0.022 0.000 0.883 339 E CB 0.315 30.036 29.700 0.035 0.000 1.024 339 E HN 0.279 nan 8.360 nan 0.000 0.470 340 I N 0.527 121.031 120.570 -0.110 0.000 2.226 340 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 340 I C 2.553 178.591 176.117 -0.131 0.000 1.100 340 I CA 0.819 61.980 61.300 -0.232 0.000 1.374 340 I CB -0.192 37.416 38.000 -0.655 0.000 1.057 340 I HN 0.128 nan 8.210 nan 0.000 0.413 341 S N 1.228 116.891 115.700 -0.061 0.000 2.351 341 S HA -0.098 4.372 4.470 -0.000 0.000 0.220 341 S C -0.163 174.472 174.600 0.058 0.000 1.035 341 S CA 1.878 60.117 58.200 0.066 0.000 1.031 341 S CB -1.138 62.133 63.200 0.118 0.000 0.928 341 S HN 0.236 nan 8.310 nan 0.000 0.433 342 P HA 0.132 nan 4.420 nan 0.000 0.225 342 P C 1.036 178.333 177.300 -0.005 0.000 1.156 342 P CA 1.161 64.274 63.100 0.022 0.000 0.787 342 P CB -0.266 31.449 31.700 0.025 0.000 0.802 343 A N -0.018 122.808 122.820 0.009 0.000 2.172 343 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 343 A C 2.243 179.765 177.584 -0.103 0.000 1.154 343 A CA 0.967 53.009 52.037 0.009 0.000 0.701 343 A CB -0.954 18.107 19.000 0.101 0.000 0.789 343 A HN 0.208 nan 8.150 nan 0.000 0.465 344 Q N -0.318 119.452 119.800 -0.050 0.000 2.187 344 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 344 Q C 1.788 177.652 176.000 -0.227 0.000 0.957 344 Q CA 1.147 56.884 55.803 -0.110 0.000 0.857 344 Q CB -0.103 28.680 28.738 0.075 0.000 0.929 344 Q HN 0.635 nan 8.270 nan 0.000 0.453 345 K N 0.644 120.956 120.400 -0.147 0.000 2.015 345 K HA -0.191 4.129 4.320 -0.000 0.000 0.216 345 K C -0.774 175.695 176.600 -0.219 0.000 1.052 345 K CA 1.775 57.982 56.287 -0.133 0.000 0.937 345 K CB -1.040 31.414 32.500 -0.077 0.000 0.719 345 K HN 0.265 nan 8.250 nan 0.000 0.446 346 P HA -0.102 nan 4.420 nan 0.000 0.230 346 P C 0.390 177.408 177.300 -0.470 0.000 1.158 346 P CA 1.158 64.031 63.100 -0.378 0.000 0.769 346 P CB 0.211 31.632 31.700 -0.465 0.000 0.807 347 E N 0.072 119.919 120.200 -0.588 0.000 2.465 347 E HA 0.339 4.689 4.350 -0.000 0.000 0.191 347 E C 0.869 177.260 176.600 -0.349 0.000 1.053 347 E CA 0.280 56.336 56.400 -0.574 0.000 0.869 347 E CB -0.257 28.826 29.700 -1.028 0.000 0.977 347 E HN 0.252 nan 8.360 nan 0.000 0.483 348 G N -1.334 107.314 108.800 -0.252 0.000 2.526 348 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.250 348 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.250 348 G C 0.301 175.139 174.900 -0.104 0.000 1.289 348 G CA -0.712 44.287 45.100 -0.168 0.000 0.947 348 G HN 0.415 nan 8.290 nan 0.000 0.517 349 G N -0.739 108.032 108.800 -0.048 0.000 2.484 349 G HA2 0.543 4.503 3.960 -0.000 0.000 0.235 349 G HA3 0.543 4.503 3.960 -0.000 0.000 0.235 349 G C 0.328 175.328 174.900 0.167 0.000 1.282 349 G CA 1.383 46.562 45.100 0.131 0.000 0.857 349 G HN 1.748 nan 8.290 nan 0.000 0.571 350 S N 0.992 116.845 115.700 0.254 0.000 2.779 350 S HA 0.431 4.901 4.470 -0.000 0.000 0.293 350 S C -0.262 174.379 174.600 0.069 0.000 1.150 350 S CA -0.733 57.587 58.200 0.200 0.000 1.057 350 S CB 0.394 63.670 63.200 0.127 0.000 1.021 350 S HN 0.462 nan 8.310 nan 0.000 0.485 351 I N 5.197 125.699 120.570 -0.114 0.000 2.337 351 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 351 I C 0.158 175.858 176.117 -0.695 0.000 1.046 351 I CA -0.249 60.521 61.300 -0.884 0.000 1.324 351 I CB 0.827 38.338 38.000 -0.816 0.000 1.409 351 I HN 0.407 nan 8.210 nan 0.000 0.494 352 K N 5.572 125.461 120.400 -0.852 0.000 2.164 352 K HA 0.665 4.985 4.320 -0.000 0.000 0.258 352 K C -1.161 175.183 176.600 -0.428 0.000 0.951 352 K CA -0.859 55.256 56.287 -0.286 0.000 0.844 352 K CB 1.643 34.183 32.500 0.066 0.000 1.099 352 K HN 0.497 nan 8.250 nan 0.000 0.435 353 H N 0.006 119.120 119.070 0.073 0.000 2.947 353 H HA 0.169 4.725 4.556 -0.000 0.000 0.354 353 H C -1.673 173.707 175.328 0.086 0.000 1.085 353 H CA -0.780 55.348 56.048 0.134 0.000 1.253 353 H CB 1.810 31.639 29.762 0.112 0.000 1.757 353 H HN 0.486 nan 8.280 nan 0.000 0.523 354 D N 3.195 123.689 120.400 0.157 0.000 2.461 354 D HA 0.326 4.966 4.640 -0.000 0.000 0.240 354 D C -0.859 175.389 176.300 -0.087 0.000 1.094 354 D CA -0.521 53.396 54.000 -0.137 0.000 0.868 354 D CB 0.381 40.950 40.800 -0.385 0.000 1.062 354 D HN 0.414 nan 8.370 nan 0.000 0.530 355 I N 0.043 120.546 120.570 -0.111 0.000 3.264 355 I HA 0.844 5.014 4.170 -0.000 0.000 0.309 355 I C -0.638 175.341 176.117 -0.230 0.000 1.099 355 I CA -1.006 60.213 61.300 -0.135 0.000 0.989 355 I CB 1.843 39.763 38.000 -0.133 0.000 1.250 355 I HN 0.202 nan 8.210 nan 0.000 0.478 356 S N 0.920 116.476 115.700 -0.239 0.000 2.556 356 S HA 0.934 5.404 4.470 -0.000 0.000 0.271 356 S C -0.756 173.697 174.600 -0.246 0.000 1.135 356 S CA -0.121 57.942 58.200 -0.229 0.000 0.858 356 S CB 1.327 64.445 63.200 -0.137 0.000 1.114 356 S HN 1.985 nan 8.310 nan 0.000 0.468 357 V N -2.732 117.051 119.914 -0.219 0.000 3.159 357 V HA 0.817 4.937 4.120 -0.000 0.000 0.308 357 V C -3.269 172.763 176.094 -0.102 0.000 1.190 357 V CA -2.743 59.459 62.300 -0.162 0.000 1.037 357 V CB 0.763 32.480 31.823 -0.178 0.000 1.060 357 V HN 0.734 nan 8.190 nan 0.000 0.437 358 P HA 0.167 nan 4.420 nan 0.000 0.264 358 P C 1.151 178.419 177.300 -0.054 0.000 1.183 358 P CA 0.188 63.254 63.100 -0.056 0.000 0.763 358 P CB 0.771 32.444 31.700 -0.045 0.000 0.807 359 V N 3.310 123.192 119.914 -0.053 0.000 2.317 359 V HA -0.348 3.772 4.120 -0.000 0.000 0.251 359 V C 2.324 178.387 176.094 -0.052 0.000 1.065 359 V CA 2.717 64.985 62.300 -0.053 0.000 1.049 359 V CB -1.600 30.185 31.823 -0.063 0.000 0.651 359 V HN 0.713 nan 8.190 nan 0.000 0.450 360 A N -0.413 122.377 122.820 -0.051 0.000 2.076 360 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 360 A C 2.205 179.767 177.584 -0.037 0.000 1.160 360 A CA 1.870 53.879 52.037 -0.047 0.000 0.653 360 A CB -0.500 18.474 19.000 -0.043 0.000 0.801 360 A HN 0.648 nan 8.150 nan 0.000 0.455 361 A N -0.918 121.886 122.820 -0.028 0.000 2.275 361 A HA 0.355 4.675 4.320 -0.000 0.000 0.212 361 A C 1.893 179.491 177.584 0.023 0.000 1.201 361 A CA 0.753 52.786 52.037 -0.006 0.000 0.843 361 A CB -0.404 18.595 19.000 -0.002 0.000 0.873 361 A HN 0.250 nan 8.150 nan 0.000 0.492 362 V N 1.094 121.010 119.914 0.004 0.000 2.252 362 V HA -0.201 3.919 4.120 -0.000 0.000 0.249 362 V C -0.098 176.021 176.094 0.041 0.000 1.056 362 V CA 2.741 65.063 62.300 0.036 0.000 1.022 362 V CB -1.472 30.353 31.823 0.003 0.000 0.641 362 V HN 0.366 nan 8.190 nan 0.000 0.445 363 P HA -0.185 nan 4.420 nan 0.000 0.216 363 P C 1.790 179.060 177.300 -0.050 0.000 1.153 363 P CA 1.502 64.546 63.100 -0.092 0.000 0.858 363 P CB -0.072 31.561 31.700 -0.111 0.000 0.789 364 Q N -2.031 117.761 119.800 -0.014 0.000 2.079 364 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 364 Q C 2.052 178.048 176.000 -0.008 0.000 0.974 364 Q CA 1.112 56.906 55.803 -0.014 0.000 0.840 364 Q CB -0.727 28.009 28.738 -0.002 0.000 0.898 364 Q HN 0.219 nan 8.270 nan 0.000 0.430 365 F N 1.391 121.291 119.950 -0.083 0.000 2.095 365 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 365 F C 1.843 177.572 175.800 -0.118 0.000 1.104 365 F CA 1.385 59.321 58.000 -0.108 0.000 1.232 365 F CB -0.172 38.763 39.000 -0.109 0.000 0.987 365 F HN -0.051 nan 8.300 nan 0.000 0.475 366 I N 0.212 120.718 120.570 -0.108 0.000 2.179 366 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 366 I C 2.604 178.643 176.117 -0.131 0.000 1.088 366 I CA 1.668 62.908 61.300 -0.099 0.000 1.357 366 I CB -0.690 37.369 38.000 0.099 0.000 1.051 366 I HN 0.247 nan 8.210 nan 0.000 0.409 367 E N 1.192 121.331 120.200 -0.102 0.000 2.031 367 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 367 E C 2.119 178.646 176.600 -0.122 0.000 0.994 367 E CA 1.776 58.135 56.400 -0.068 0.000 0.800 367 E CB -0.125 29.541 29.700 -0.057 0.000 0.752 367 E HN 0.558 nan 8.360 nan 0.000 0.447 368 Q N -0.157 119.528 119.800 -0.191 0.000 2.079 368 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 368 Q C 2.208 178.034 176.000 -0.290 0.000 0.974 368 Q CA 1.464 57.145 55.803 -0.203 0.000 0.840 368 Q CB -0.179 28.453 28.738 -0.176 0.000 0.898 368 Q HN 0.320 nan 8.270 nan 0.000 0.430 369 A N 1.460 123.948 122.820 -0.552 0.000 1.873 369 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 369 A C 1.780 179.215 177.584 -0.247 0.000 1.186 369 A CA 1.581 53.227 52.037 -0.652 0.000 0.616 369 A CB -0.550 17.529 19.000 -1.536 0.000 0.823 369 A HN 0.269 nan 8.150 nan 0.000 0.442 370 N N 0.606 119.250 118.700 -0.092 0.000 2.061 370 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 370 N C 1.871 177.396 175.510 0.025 0.000 1.030 370 N CA 1.848 54.949 53.050 0.085 0.000 0.856 370 N CB -0.633 37.922 38.487 0.114 0.000 1.023 370 N HN 0.470 nan 8.380 nan 0.000 0.424 371 A N 0.553 123.359 122.820 -0.023 0.000 1.877 371 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 371 A C 2.321 179.888 177.584 -0.027 0.000 1.186 371 A CA 2.082 54.106 52.037 -0.020 0.000 0.620 371 A CB -0.954 18.027 19.000 -0.033 0.000 0.822 371 A HN 0.338 nan 8.150 nan 0.000 0.443 372 A N -0.735 122.049 122.820 -0.059 0.000 1.898 372 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 372 A C 2.220 179.783 177.584 -0.033 0.000 1.181 372 A CA 1.645 53.648 52.037 -0.057 0.000 0.620 372 A CB -0.881 18.063 19.000 -0.094 0.000 0.819 372 A HN 0.371 nan 8.150 nan 0.000 0.442 373 V N -0.282 119.622 119.914 -0.016 0.000 2.343 373 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 373 V C 2.529 178.649 176.094 0.043 0.000 1.051 373 V CA 1.969 64.286 62.300 0.028 0.000 1.036 373 V CB -0.590 31.296 31.823 0.105 0.000 0.654 373 V HN 0.369 nan 8.190 nan 0.000 0.451 374 V N 0.169 120.107 119.914 0.040 0.000 2.626 374 V HA -0.166 3.954 4.120 -0.000 0.000 0.252 374 V C 2.599 178.709 176.094 0.026 0.000 1.067 374 V CA 1.630 63.953 62.300 0.038 0.000 1.081 374 V CB -0.893 30.950 31.823 0.033 0.000 0.686 374 V HN 0.549 nan 8.190 nan 0.000 0.468 375 A N -0.136 122.691 122.820 0.012 0.000 1.930 375 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 375 A C 2.127 179.718 177.584 0.011 0.000 1.175 375 A CA 1.814 53.855 52.037 0.007 0.000 0.627 375 A CB -0.438 18.559 19.000 -0.005 0.000 0.815 375 A HN 0.438 nan 8.150 nan 0.000 0.443 376 L N -0.461 120.767 121.223 0.009 0.000 2.005 376 L HA 0.144 4.484 4.340 -0.000 0.000 0.207 376 L C 0.562 177.451 176.870 0.031 0.000 1.072 376 L CA 1.709 56.555 54.840 0.011 0.000 0.744 376 L CB -0.091 41.965 42.059 -0.004 0.000 0.895 376 L HN 0.349 nan 8.230 nan 0.000 0.433 377 I N 0.688 121.290 120.570 0.053 0.000 2.595 377 I HA 0.276 4.446 4.170 -0.000 0.000 0.275 377 I C -2.291 173.871 176.117 0.075 0.000 1.092 377 I CA -1.912 59.440 61.300 0.085 0.000 1.145 377 I CB 0.956 39.050 38.000 0.157 0.000 1.276 377 I HN 0.001 nan 8.210 nan 0.000 0.497 378 P HA 0.040 nan 4.420 nan 0.000 0.262 378 P C 1.060 178.383 177.300 0.037 0.000 1.182 378 P CA 0.945 64.067 63.100 0.038 0.000 0.761 378 P CB 0.663 32.380 31.700 0.029 0.000 0.795 379 G N 1.868 110.684 108.800 0.027 0.000 2.199 379 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 379 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 379 G C 0.489 175.393 174.900 0.008 0.000 0.982 379 G CA 0.009 45.117 45.100 0.013 0.000 0.632 379 G HN 0.853 nan 8.290 nan 0.000 0.529 380 A N 0.097 122.939 122.820 0.037 0.000 2.483 380 A HA 0.619 4.939 4.320 -0.000 0.000 0.238 380 A C 0.736 178.332 177.584 0.020 0.000 1.070 380 A CA 0.566 52.629 52.037 0.043 0.000 0.770 380 A CB 0.182 19.273 19.000 0.153 0.000 1.008 380 A HN 0.554 nan 8.150 nan 0.000 0.497 381 R N 2.305 122.802 120.500 -0.004 0.000 2.275 381 R HA 0.352 4.692 4.340 -0.000 0.000 0.326 381 R C -2.870 173.421 176.300 -0.015 0.000 0.973 381 R CA -1.645 54.454 56.100 -0.001 0.000 0.854 381 R CB 1.242 31.557 30.300 0.025 0.000 1.156 381 R HN 0.444 nan 8.270 nan 0.000 0.487 382 P HA 0.023 nan 4.420 nan 0.000 0.271 382 P C -0.565 176.646 177.300 -0.149 0.000 1.216 382 P CA -0.167 62.851 63.100 -0.137 0.000 0.771 382 P CB 0.920 32.574 31.700 -0.077 0.000 0.864 383 V N 5.680 125.492 119.914 -0.170 0.000 2.313 383 V HA 0.281 4.401 4.120 -0.000 0.000 0.262 383 V C -2.232 173.900 176.094 0.063 0.000 1.011 383 V CA -1.504 60.766 62.300 -0.050 0.000 0.858 383 V CB 1.166 33.028 31.823 0.066 0.000 1.104 383 V HN 0.533 nan 8.190 nan 0.000 0.456 384 P HA 0.693 nan 4.420 nan 0.000 0.300 384 P C -1.150 176.398 177.300 0.414 0.000 1.326 384 P CA -0.431 62.792 63.100 0.206 0.000 0.844 384 P CB 1.575 33.490 31.700 0.357 0.000 0.992 385 F N 0.039 120.098 119.950 0.183 0.000 2.678 385 F HA 0.879 5.406 4.527 -0.000 0.000 0.308 385 F C -0.458 175.409 175.800 0.112 0.000 1.118 385 F CA -0.787 57.299 58.000 0.143 0.000 0.959 385 F CB 1.249 40.278 39.000 0.047 0.000 1.305 385 F HN 0.700 nan 8.300 nan 0.000 0.443 386 G N 0.219 109.104 108.800 0.142 0.000 2.325 386 G HA2 0.321 4.281 3.960 -0.000 0.000 0.295 386 G HA3 0.321 4.281 3.960 -0.000 0.000 0.295 386 G C -2.321 172.539 174.900 -0.066 0.000 1.274 386 G CA -1.084 43.933 45.100 -0.138 0.000 0.857 386 G HN 0.959 nan 8.290 nan 0.000 0.499 387 H N 1.450 120.631 119.070 0.185 0.000 2.908 387 H HA 0.302 4.857 4.556 -0.000 0.000 0.269 387 H C 1.276 176.681 175.328 0.127 0.000 1.303 387 H CA -0.572 55.574 56.048 0.164 0.000 1.341 387 H CB 1.295 31.137 29.762 0.134 0.000 1.519 387 H HN 0.290 nan 8.280 nan 0.000 0.505 388 L N 3.141 124.514 121.223 0.250 0.000 2.131 388 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 388 L C 2.282 179.198 176.870 0.077 0.000 1.092 388 L CA 1.729 56.667 54.840 0.164 0.000 0.759 388 L CB -0.722 41.482 42.059 0.241 0.000 0.903 388 L HN 0.719 nan 8.230 nan 0.000 0.435 389 G N -0.789 108.068 108.800 0.095 0.000 2.470 389 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 389 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 389 G C 0.861 175.759 174.900 -0.003 0.000 1.121 389 G CA 0.961 46.054 45.100 -0.011 0.000 0.766 389 G HN 0.646 nan 8.290 nan 0.000 0.553 390 D N -2.880 117.549 120.400 0.048 0.000 2.500 390 D HA 0.269 4.909 4.640 -0.000 0.000 0.217 390 D C 1.507 177.816 176.300 0.014 0.000 1.159 390 D CA 0.393 54.407 54.000 0.024 0.000 0.828 390 D CB -0.379 40.441 40.800 0.033 0.000 1.039 390 D HN 0.338 nan 8.370 nan 0.000 0.512 391 G N 0.939 109.750 108.800 0.018 0.000 2.148 391 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.254 391 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.254 391 G C -0.172 174.697 174.900 -0.052 0.000 0.981 391 G CA 0.146 45.231 45.100 -0.025 0.000 0.670 391 G HN 0.627 nan 8.290 nan 0.000 0.528 392 N N 0.382 119.084 118.700 0.003 0.000 2.462 392 N HA 0.457 5.197 4.740 -0.000 0.000 0.242 392 N C -0.192 175.261 175.510 -0.095 0.000 1.010 392 N CA -0.789 52.236 53.050 -0.042 0.000 0.939 392 N CB 0.174 38.704 38.487 0.071 0.000 1.127 392 N HN 0.025 nan 8.380 nan 0.000 0.509 393 I N 3.841 124.325 120.570 -0.143 0.000 2.354 393 I HA 0.160 4.330 4.170 -0.000 0.000 0.292 393 I C 0.420 176.460 176.117 -0.128 0.000 0.989 393 I CA -0.658 60.591 61.300 -0.086 0.000 1.188 393 I CB 1.049 39.068 38.000 0.031 0.000 1.342 393 I HN 0.457 nan 8.210 nan 0.000 0.457 394 H N 6.614 125.477 119.070 -0.345 0.000 3.015 394 H HA 0.040 4.596 4.556 -0.000 0.000 0.268 394 H C -1.020 174.150 175.328 -0.262 0.000 1.113 394 H CA 0.104 55.904 56.048 -0.413 0.000 1.479 394 H CB 0.460 29.636 29.762 -0.977 0.000 1.493 394 H HN 0.427 nan 8.280 nan 0.000 0.486 395 Y N 5.396 125.696 120.300 0.000 0.000 2.717 395 Y HA 0.135 4.685 4.550 -0.000 0.000 0.329 395 Y C -0.669 175.308 175.900 0.129 0.000 1.017 395 Y CA -0.945 57.231 58.100 0.128 0.000 1.275 395 Y CB -0.157 38.483 38.460 0.301 0.000 1.109 395 Y HN 0.517 nan 8.280 nan 0.000 0.511 396 N N 3.225 121.819 118.700 -0.177 0.000 2.443 396 N HA 0.567 5.306 4.740 -0.000 0.000 0.293 396 N C -1.411 173.974 175.510 -0.208 0.000 1.159 396 N CA -0.618 52.377 53.050 -0.092 0.000 0.904 396 N CB 2.258 40.789 38.487 0.073 0.000 1.214 396 N HN 0.219 nan 8.380 nan 0.000 0.513 397 V N 0.555 120.427 119.914 -0.069 0.000 2.483 397 V HA 0.386 4.506 4.120 -0.000 0.000 0.297 397 V C -0.058 176.127 176.094 0.151 0.000 1.027 397 V CA -0.725 61.586 62.300 0.019 0.000 0.855 397 V CB 1.539 33.428 31.823 0.111 0.000 0.995 397 V HN 0.577 nan 8.190 nan 0.000 0.424 398 S N 3.526 119.266 115.700 0.066 0.000 2.585 398 S HA 0.411 4.881 4.470 -0.000 0.000 0.277 398 S C 0.012 174.381 174.600 -0.385 0.000 1.241 398 S CA -0.680 57.488 58.200 -0.052 0.000 1.041 398 S CB 1.264 64.496 63.200 0.054 0.000 0.987 398 S HN 0.897 nan 8.310 nan 0.000 0.512 399 Q N 1.473 120.714 119.800 -0.932 0.000 2.540 399 Q HA 0.204 4.544 4.340 -0.000 0.000 0.256 399 Q C -2.652 173.025 176.000 -0.537 0.000 1.084 399 Q CA -1.138 53.824 55.803 -1.402 0.000 0.956 399 Q CB -0.706 27.325 28.738 -1.178 0.000 1.303 399 Q HN 0.191 nan 8.270 nan 0.000 0.509 400 P HA 0.016 nan 4.420 nan 0.000 0.272 400 P C -0.817 176.399 177.300 -0.140 0.000 1.223 400 P CA -0.408 62.598 63.100 -0.156 0.000 0.784 400 P CB 0.568 32.225 31.700 -0.072 0.000 0.923 401 V N 2.729 122.592 119.914 -0.085 0.000 2.540 401 V HA 0.226 4.346 4.120 -0.000 0.000 0.297 401 V C 1.722 177.781 176.094 -0.058 0.000 1.024 401 V CA 1.995 64.253 62.300 -0.070 0.000 1.105 401 V CB -0.543 31.257 31.823 -0.039 0.000 0.938 401 V HN 1.045 nan 8.190 nan 0.000 0.482 402 G N 3.623 112.387 108.800 -0.060 0.000 2.225 402 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.254 402 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.254 402 G C 0.490 175.369 174.900 -0.034 0.000 0.988 402 G CA 0.282 45.357 45.100 -0.041 0.000 0.625 402 G HN 1.478 nan 8.290 nan 0.000 0.527 403 A N 0.111 122.903 122.820 -0.048 0.000 2.346 403 A HA 0.498 4.818 4.320 -0.000 0.000 0.252 403 A C 0.454 178.032 177.584 -0.009 0.000 1.089 403 A CA 0.555 52.579 52.037 -0.021 0.000 0.797 403 A CB 0.270 19.256 19.000 -0.025 0.000 1.047 403 A HN 0.465 nan 8.150 nan 0.000 0.494 404 D N 0.264 120.683 120.400 0.031 0.000 2.343 404 D HA 0.046 4.686 4.640 -0.000 0.000 0.255 404 D C 0.991 177.341 176.300 0.084 0.000 1.187 404 D CA -0.049 53.978 54.000 0.045 0.000 0.875 404 D CB 0.955 41.786 40.800 0.052 0.000 1.136 404 D HN 0.599 nan 8.370 nan 0.000 0.469 405 K N 3.355 123.793 120.400 0.064 0.000 2.044 405 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 405 K C 1.696 178.396 176.600 0.167 0.000 1.049 405 K CA 1.615 57.966 56.287 0.106 0.000 0.927 405 K CB -0.035 32.500 32.500 0.058 0.000 0.713 405 K HN 0.480 nan 8.250 nan 0.000 0.443 406 A N 1.212 124.099 122.820 0.112 0.000 1.858 406 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 406 A C 1.905 179.557 177.584 0.114 0.000 1.190 406 A CA 1.773 53.870 52.037 0.100 0.000 0.617 406 A CB -0.610 18.427 19.000 0.062 0.000 0.827 406 A HN 0.494 nan 8.150 nan 0.000 0.443 407 E N -1.552 118.716 120.200 0.113 0.000 2.130 407 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 407 E C 1.717 178.405 176.600 0.147 0.000 0.998 407 E CA 1.438 57.904 56.400 0.110 0.000 0.806 407 E CB -0.252 29.509 29.700 0.101 0.000 0.738 407 E HN 0.710 nan 8.360 nan 0.000 0.459 408 F N 0.972 120.950 119.950 0.047 0.000 2.098 408 F HA -0.086 4.441 4.527 -0.000 0.000 0.294 408 F C 1.894 177.746 175.800 0.086 0.000 1.107 408 F CA 1.077 59.108 58.000 0.051 0.000 1.234 408 F CB -0.146 38.874 39.000 0.034 0.000 1.002 408 F HN -0.105 nan 8.300 nan 0.000 0.472 409 L N 0.170 121.460 121.223 0.112 0.000 2.265 409 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 409 L C 2.589 179.505 176.870 0.076 0.000 1.117 409 L CA 0.893 55.790 54.840 0.095 0.000 0.782 409 L CB -1.088 41.104 42.059 0.221 0.000 0.914 409 L HN 0.285 nan 8.230 nan 0.000 0.441 410 A N -0.395 122.450 122.820 0.042 0.000 2.121 410 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 410 A C 2.002 179.611 177.584 0.041 0.000 1.154 410 A CA 0.939 53.005 52.037 0.047 0.000 0.679 410 A CB -0.245 18.780 19.000 0.043 0.000 0.795 410 A HN 0.254 nan 8.150 nan 0.000 0.458 411 R N -1.250 119.222 120.500 -0.047 0.000 2.334 411 R HA -0.015 4.325 4.340 -0.000 0.000 0.220 411 R C 1.403 177.689 176.300 -0.023 0.000 0.917 411 R CA -0.353 55.708 56.100 -0.065 0.000 1.073 411 R CB -0.692 29.499 30.300 -0.182 0.000 1.056 411 R HN 0.823 nan 8.270 nan 0.000 0.506 412 W N 1.910 123.123 121.300 -0.144 0.000 2.302 412 W HA -0.303 4.357 4.660 -0.000 0.000 0.320 412 W C 1.922 178.444 176.519 0.006 0.000 1.241 412 W CA 1.970 59.265 57.345 -0.082 0.000 1.264 412 W CB -0.567 28.860 29.460 -0.056 0.000 1.154 412 W HN 0.325 nan 8.180 nan 0.000 0.483 413 H N 0.235 119.478 119.070 0.288 0.000 2.321 413 H HA -0.153 4.403 4.556 -0.000 0.000 0.300 413 H C 1.733 177.111 175.328 0.083 0.000 1.087 413 H CA 2.096 58.262 56.048 0.196 0.000 1.319 413 H CB -0.388 29.454 29.762 0.132 0.000 1.379 413 H HN 0.032 nan 8.280 nan 0.000 0.501 414 D N 0.322 120.710 120.400 -0.021 0.000 2.149 414 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 414 D C 2.420 178.620 176.300 -0.166 0.000 0.990 414 D CA 1.007 54.942 54.000 -0.108 0.000 0.839 414 D CB -0.090 40.699 40.800 -0.019 0.000 0.948 414 D HN 0.262 nan 8.370 nan 0.000 0.460 415 V N 0.839 120.663 119.914 -0.149 0.000 2.427 415 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 415 V C 2.538 178.438 176.094 -0.323 0.000 1.051 415 V CA 1.340 63.529 62.300 -0.185 0.000 1.048 415 V CB -0.418 31.302 31.823 -0.172 0.000 0.666 415 V HN 0.117 nan 8.190 nan 0.000 0.456 416 S N -0.448 115.052 115.700 -0.334 0.000 2.353 416 S HA -0.296 4.174 4.470 -0.000 0.000 0.222 416 S C 2.010 176.205 174.600 -0.674 0.000 1.035 416 S CA 1.742 59.527 58.200 -0.691 0.000 1.025 416 S CB -0.357 62.682 63.200 -0.268 0.000 0.902 416 S HN 0.646 nan 8.310 nan 0.000 0.440 417 Q N 0.211 119.773 119.800 -0.398 0.000 2.077 417 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 417 Q C 2.301 178.205 176.000 -0.160 0.000 0.989 417 Q CA 1.679 57.356 55.803 -0.211 0.000 0.853 417 Q CB -0.414 28.200 28.738 -0.208 0.000 0.907 417 Q HN 0.378 nan 8.270 nan 0.000 0.418 418 V N -0.207 119.583 119.914 -0.207 0.000 2.307 418 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 418 V C 2.208 178.185 176.094 -0.196 0.000 1.045 418 V CA 1.348 63.550 62.300 -0.163 0.000 1.024 418 V CB -0.417 31.319 31.823 -0.146 0.000 0.651 418 V HN 0.185 nan 8.190 nan 0.000 0.449 419 V N -0.424 119.289 119.914 -0.335 0.000 2.343 419 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 419 V C 2.272 178.303 176.094 -0.106 0.000 1.051 419 V CA 2.084 64.178 62.300 -0.344 0.000 1.036 419 V CB -0.748 30.709 31.823 -0.609 0.000 0.654 419 V HN 0.444 nan 8.190 nan 0.000 0.451 420 F N 0.460 120.331 119.950 -0.132 0.000 2.234 420 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 420 F C 2.392 178.166 175.800 -0.043 0.000 1.087 420 F CA 1.345 59.302 58.000 -0.070 0.000 1.340 420 F CB -0.877 38.090 39.000 -0.055 0.000 1.031 420 F HN 0.235 nan 8.300 nan 0.000 0.500 421 E N 0.647 120.922 120.200 0.125 0.000 2.106 421 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 421 E C 2.147 178.776 176.600 0.048 0.000 0.984 421 E CA 1.077 57.514 56.400 0.062 0.000 0.806 421 E CB -0.365 29.344 29.700 0.015 0.000 0.750 421 E HN 0.152 nan 8.360 nan 0.000 0.458 422 V N -0.327 119.610 119.914 0.038 0.000 2.358 422 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 422 V C 2.382 178.570 176.094 0.158 0.000 1.047 422 V CA 1.459 63.788 62.300 0.048 0.000 1.035 422 V CB -0.405 31.374 31.823 -0.073 0.000 0.658 422 V HN 0.172 nan 8.190 nan 0.000 0.452 423 V N -0.038 120.002 119.914 0.210 0.000 2.295 423 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 423 V C 2.423 178.545 176.094 0.045 0.000 1.049 423 V CA 2.236 64.608 62.300 0.121 0.000 1.024 423 V CB -0.630 31.251 31.823 0.097 0.000 0.648 423 V HN 0.541 nan 8.190 nan 0.000 0.447 424 L N 1.497 122.748 121.223 0.047 0.000 2.042 424 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 424 L C 2.700 179.574 176.870 0.006 0.000 1.076 424 L CA 2.426 57.272 54.840 0.009 0.000 0.749 424 L CB -0.791 41.277 42.059 0.014 0.000 0.893 424 L HN 0.476 nan 8.230 nan 0.000 0.432 425 R N -0.550 119.961 120.500 0.019 0.000 2.189 425 R HA -0.070 4.270 4.340 -0.000 0.000 0.223 425 R C 1.595 177.899 176.300 0.008 0.000 1.092 425 R CA 1.489 57.595 56.100 0.009 0.000 0.989 425 R CB -0.666 29.638 30.300 0.008 0.000 0.876 425 R HN 0.477 nan 8.270 nan 0.000 0.457 426 L N 0.442 121.675 121.223 0.017 0.000 2.607 426 L HA 0.331 4.671 4.340 -0.000 0.000 0.228 426 L C 0.745 177.606 176.870 -0.014 0.000 1.123 426 L CA 0.380 55.225 54.840 0.010 0.000 0.890 426 L CB 0.471 42.552 42.059 0.038 0.000 1.103 426 L HN 0.595 nan 8.230 nan 0.000 0.468 427 G N 0.346 109.133 108.800 -0.021 0.000 2.137 427 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.237 427 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.237 427 G C 0.449 175.318 174.900 -0.052 0.000 1.002 427 G CA -0.071 45.008 45.100 -0.034 0.000 0.702 427 G HN 0.494 nan 8.290 nan 0.000 0.515 428 G N -0.806 107.957 108.800 -0.061 0.000 2.537 428 G HA2 0.669 4.629 3.960 -0.000 0.000 0.297 428 G HA3 0.669 4.629 3.960 -0.000 0.000 0.297 428 G C 0.142 174.983 174.900 -0.099 0.000 1.310 428 G CA 0.582 45.625 45.100 -0.095 0.000 1.027 428 G HN 1.201 nan 8.290 nan 0.000 0.505 429 S N -1.320 114.309 115.700 -0.118 0.000 2.501 429 S HA 0.302 4.772 4.470 -0.000 0.000 0.301 429 S C 1.438 175.956 174.600 -0.136 0.000 1.096 429 S CA -0.692 57.435 58.200 -0.122 0.000 1.063 429 S CB 1.003 64.141 63.200 -0.103 0.000 1.042 429 S HN 0.656 nan 8.310 nan 0.000 0.494 430 I N 1.893 122.338 120.570 -0.208 0.000 2.928 430 I HA 0.285 4.455 4.170 -0.000 0.000 0.266 430 I C 0.688 176.751 176.117 -0.090 0.000 1.234 430 I CA 0.267 61.378 61.300 -0.315 0.000 1.483 430 I CB 0.111 37.599 38.000 -0.852 0.000 1.097 430 I HN 0.418 nan 8.210 nan 0.000 0.455 431 S N 0.673 116.326 115.700 -0.079 0.000 2.496 431 S HA 0.689 5.159 4.470 -0.000 0.000 0.221 431 S C 0.610 175.168 174.600 -0.070 0.000 1.260 431 S CA -0.124 58.057 58.200 -0.031 0.000 1.181 431 S CB 1.279 64.480 63.200 0.002 0.000 1.136 431 S HN 0.366 nan 8.310 nan 0.000 0.467 432 A N 3.508 126.261 122.820 -0.110 0.000 1.968 432 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 432 A C 1.570 179.089 177.584 -0.109 0.000 1.169 432 A CA 1.102 53.070 52.037 -0.116 0.000 0.638 432 A CB -0.060 18.856 19.000 -0.139 0.000 0.812 432 A HN 0.774 nan 8.150 nan 0.000 0.446 433 E N -2.558 117.535 120.200 -0.177 0.000 2.940 433 E HA 0.085 4.435 4.350 -0.000 0.000 0.203 433 E C 1.647 178.232 176.600 -0.025 0.000 0.995 433 E CA 0.162 56.485 56.400 -0.127 0.000 1.396 433 E CB -0.037 29.548 29.700 -0.192 0.000 1.310 433 E HN 0.749 nan 8.360 nan 0.000 0.613 434 H N 0.898 120.000 119.070 0.054 0.000 2.421 434 H HA 0.074 4.630 4.556 -0.000 0.000 0.298 434 H C 1.095 176.463 175.328 0.066 0.000 1.087 434 H CA 0.573 56.665 56.048 0.073 0.000 1.330 434 H CB 0.192 30.011 29.762 0.094 0.000 1.388 434 H HN 0.273 nan 8.280 nan 0.000 0.526 435 G N -0.167 108.719 108.800 0.144 0.000 2.526 435 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.250 435 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.250 435 G C 0.107 175.063 174.900 0.094 0.000 1.289 435 G CA -0.196 44.960 45.100 0.094 0.000 0.947 435 G HN 0.070 nan 8.290 nan 0.000 0.517 436 I N 1.184 121.792 120.570 0.063 0.000 2.681 436 I HA 0.302 4.472 4.170 -0.000 0.000 0.247 436 I C 2.701 178.851 176.117 0.055 0.000 1.091 436 I CA 2.494 63.825 61.300 0.052 0.000 1.442 436 I CB -1.760 36.252 38.000 0.019 0.000 1.219 436 I HN 2.165 nan 8.210 nan 0.000 0.451 437 G N 1.861 110.684 108.800 0.037 0.000 2.622 437 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.307 437 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.307 437 G C 0.303 175.191 174.900 -0.021 0.000 1.226 437 G CA 0.475 45.586 45.100 0.018 0.000 0.997 437 G HN 0.246 nan 8.290 nan 0.000 0.551 441 R N 1.582 122.099 120.500 0.028 0.000 2.081 441 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 441 R C 0.937 177.240 176.300 0.005 0.000 1.131 441 R CA 2.157 58.258 56.100 0.003 0.000 0.960 441 R CB 0.145 30.434 30.300 -0.018 0.000 0.856 441 R HN 0.095 nan 8.270 nan 0.000 0.436 442 D N 0.069 120.481 120.400 0.020 0.000 2.123 442 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 442 D C 1.739 178.055 176.300 0.026 0.000 0.976 442 D CA 1.105 55.119 54.000 0.024 0.000 0.831 442 D CB -0.182 40.642 40.800 0.039 0.000 0.974 442 D HN 0.261 nan 8.370 nan 0.000 0.469 443 E N 0.483 120.705 120.200 0.038 0.000 2.153 443 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 443 E C 1.929 178.499 176.600 -0.049 0.000 0.988 443 E CA 0.324 56.728 56.400 0.007 0.000 0.811 443 E CB -0.272 29.430 29.700 0.004 0.000 0.746 443 E HN 0.125 nan 8.360 nan 0.000 0.466 444 L N 0.235 121.433 121.223 -0.042 0.000 2.017 444 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 444 L C 2.182 179.028 176.870 -0.041 0.000 1.073 444 L CA 2.248 57.057 54.840 -0.053 0.000 0.745 444 L CB -0.989 41.047 42.059 -0.037 0.000 0.894 444 L HN 0.173 nan 8.230 nan 0.000 0.432 445 A N -1.190 121.616 122.820 -0.024 0.000 2.019 445 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 445 A C 2.162 179.736 177.584 -0.017 0.000 1.164 445 A CA 1.815 53.842 52.037 -0.018 0.000 0.644 445 A CB -0.628 18.366 19.000 -0.009 0.000 0.805 445 A HN 0.524 nan 8.150 nan 0.000 0.449 446 E N -1.311 118.880 120.200 -0.015 0.000 2.122 446 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 446 E C 2.132 178.717 176.600 -0.025 0.000 0.977 446 E CA 1.177 57.571 56.400 -0.010 0.000 0.820 446 E CB -0.298 29.407 29.700 0.008 0.000 0.770 446 E HN 0.939 nan 8.360 nan 0.000 0.462 447 V N -1.856 118.030 119.914 -0.048 0.000 3.263 447 V HA 0.358 4.478 4.120 -0.000 0.000 0.248 447 V C 1.027 177.086 176.094 -0.057 0.000 1.145 447 V CA 0.115 62.379 62.300 -0.061 0.000 1.107 447 V CB -0.071 31.689 31.823 -0.106 0.000 0.797 447 V HN 0.031 nan 8.190 nan 0.000 0.467 448 K N 2.351 122.717 120.400 -0.055 0.000 2.258 448 K HA 0.148 4.468 4.320 -0.000 0.000 0.264 448 K C -0.056 176.520 176.600 -0.039 0.000 1.007 448 K CA 0.143 56.400 56.287 -0.050 0.000 0.941 448 K CB 0.374 32.845 32.500 -0.048 0.000 0.966 448 K HN 0.559 nan 8.250 nan 0.000 0.480 449 D N 2.018 122.395 120.400 -0.038 0.000 2.583 449 D HA -0.088 4.552 4.640 -0.000 0.000 0.232 449 D C 0.842 177.124 176.300 -0.030 0.000 1.128 449 D CA 0.727 54.708 54.000 -0.032 0.000 0.859 449 D CB 0.705 41.485 40.800 -0.034 0.000 1.169 449 D HN 0.532 nan 8.370 nan 0.000 0.481 450 K N 1.796 122.181 120.400 -0.025 0.000 2.063 450 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 450 K C 1.575 178.160 176.600 -0.024 0.000 1.048 450 K CA 1.718 57.991 56.287 -0.023 0.000 0.928 450 K CB 0.006 32.495 32.500 -0.018 0.000 0.713 450 K HN 0.534 nan 8.250 nan 0.000 0.442 451 T N 0.593 115.132 114.554 -0.026 0.000 2.777 451 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 451 T C 1.839 176.519 174.700 -0.033 0.000 1.040 451 T CA 1.157 63.240 62.100 -0.028 0.000 1.141 451 T CB -0.304 68.547 68.868 -0.029 0.000 0.868 451 T HN 0.405 nan 8.240 nan 0.000 0.444 452 A N 1.187 123.985 122.820 -0.035 0.000 1.892 452 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 452 A C 2.245 179.806 177.584 -0.039 0.000 1.188 452 A CA 1.462 53.475 52.037 -0.040 0.000 0.631 452 A CB -0.823 18.152 19.000 -0.041 0.000 0.822 452 A HN 0.415 nan 8.150 nan 0.000 0.447 453 I N -0.043 120.506 120.570 -0.034 0.000 2.315 453 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 453 I C 2.265 178.365 176.117 -0.030 0.000 1.117 453 I CA 1.606 62.887 61.300 -0.032 0.000 1.404 453 I CB -0.329 37.655 38.000 -0.027 0.000 1.071 453 I HN 0.448 nan 8.210 nan 0.000 0.419 454 E N -0.117 120.067 120.200 -0.028 0.000 2.051 454 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 454 E C 1.100 177.682 176.600 -0.031 0.000 0.991 454 E CA 0.649 57.034 56.400 -0.026 0.000 0.799 454 E CB -0.151 29.535 29.700 -0.023 0.000 0.748 454 E HN 0.376 nan 8.360 nan 0.000 0.449 458 S N 1.315 116.998 115.700 -0.028 0.000 2.368 458 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 458 S C 1.843 176.424 174.600 -0.033 0.000 1.029 458 S CA 1.168 59.352 58.200 -0.027 0.000 0.988 458 S CB -0.023 63.160 63.200 -0.027 0.000 0.838 458 S HN 0.172 nan 8.310 nan 0.000 0.462 459 I N 1.407 121.950 120.570 -0.045 0.000 2.252 459 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 459 I C 2.485 178.573 176.117 -0.049 0.000 1.102 459 I CA 1.096 62.362 61.300 -0.056 0.000 1.385 459 I CB -0.224 37.726 38.000 -0.083 0.000 1.064 459 I HN 0.173 nan 8.210 nan 0.000 0.414 460 K N 1.878 122.252 120.400 -0.043 0.000 2.032 460 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 460 K C 2.021 178.608 176.600 -0.021 0.000 1.048 460 K CA 1.988 58.258 56.287 -0.030 0.000 0.927 460 K CB -0.496 31.989 32.500 -0.024 0.000 0.712 460 K HN 0.262 nan 8.250 nan 0.000 0.441 461 A N 0.374 123.181 122.820 -0.020 0.000 1.969 461 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 461 A C 2.126 179.695 177.584 -0.025 0.000 1.169 461 A CA 1.519 53.546 52.037 -0.017 0.000 0.635 461 A CB -0.628 18.365 19.000 -0.011 0.000 0.810 461 A HN 0.376 nan 8.150 nan 0.000 0.445 462 L N -1.127 120.082 121.223 -0.024 0.000 2.072 462 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 462 L C 1.957 178.814 176.870 -0.022 0.000 1.079 462 L CA 1.635 56.462 54.840 -0.022 0.000 0.752 462 L CB -0.388 41.661 42.059 -0.017 0.000 0.906 462 L HN 0.247 nan 8.230 nan 0.000 0.436 463 L N -0.942 120.272 121.223 -0.015 0.000 2.341 463 L HA 0.104 4.444 4.340 -0.000 0.000 0.214 463 L C 0.390 177.259 176.870 -0.002 0.000 1.115 463 L CA 0.936 55.781 54.840 0.008 0.000 0.820 463 L CB -0.452 41.625 42.059 0.030 0.000 0.944 463 L HN 0.309 nan 8.230 nan 0.000 0.452 464 D N -1.226 119.162 120.400 -0.020 0.000 2.656 464 D HA 0.170 4.810 4.640 -0.000 0.000 0.303 464 D C -1.804 174.465 176.300 -0.051 0.000 1.199 464 D CA -1.528 52.455 54.000 -0.027 0.000 0.797 464 D CB 0.826 41.630 40.800 0.007 0.000 1.170 464 D HN -0.091 nan 8.370 nan 0.000 0.509 465 P HA -0.136 nan 4.420 nan 0.000 0.218 465 P C 0.721 178.004 177.300 -0.027 0.000 1.148 465 P CA 1.212 64.239 63.100 -0.121 0.000 0.822 465 P CB 0.043 31.607 31.700 -0.226 0.000 0.784 466 H N -1.399 117.683 119.070 0.020 0.000 2.539 466 H HA 0.307 4.863 4.556 -0.000 0.000 0.267 466 H C 1.064 176.404 175.328 0.020 0.000 0.982 466 H CA 0.023 56.083 56.048 0.020 0.000 1.146 466 H CB -0.376 29.400 29.762 0.024 0.000 1.382 466 H HN 0.138 nan 8.280 nan 0.000 0.577 467 G N 1.979 110.839 108.800 0.101 0.000 2.295 467 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.287 467 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.287 467 G C 0.307 175.246 174.900 0.064 0.000 1.055 467 G CA 0.707 45.846 45.100 0.065 0.000 0.922 467 G HN 0.593 nan 8.290 nan 0.000 0.503 471 P HA 0.242 nan 4.420 nan 0.000 0.268 471 P C 0.882 178.179 177.300 -0.006 0.000 1.208 471 P CA 1.030 64.134 63.100 0.006 0.000 0.777 471 P CB 0.509 32.216 31.700 0.012 0.000 0.875 472 G N 0.862 109.653 108.800 -0.015 0.000 2.143 472 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 472 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 472 G C -0.130 174.739 174.900 -0.051 0.000 0.991 472 G CA 0.020 45.097 45.100 -0.037 0.000 0.689 472 G HN 0.647 nan 8.290 nan 0.000 0.522 473 K N -0.718 119.664 120.400 -0.030 0.000 2.375 473 K HA 0.712 5.032 4.320 -0.000 0.000 0.249 473 K C 1.305 177.896 176.600 -0.015 0.000 0.942 473 K CA -0.569 55.702 56.287 -0.028 0.000 0.806 473 K CB 2.978 35.471 32.500 -0.013 0.000 1.227 473 K HN 0.528 nan 8.250 nan 0.000 0.430 474 V N -1.090 118.816 119.914 -0.013 0.000 0.588 474 V HA -0.395 3.725 4.120 -0.000 0.000 0.092 474 V C 0.441 176.526 176.094 -0.015 0.000 1.830 474 V CA 1.856 64.151 62.300 -0.009 0.000 3.401 474 V CB -2.145 29.675 31.823 -0.006 0.000 0.689 474 V HN 0.738 nan 8.190 nan 0.000 0.712 475 V N 0.000 119.904 119.914 -0.016 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 -0.018 0.000 1.235 475 V CB 0.000 31.811 31.823 -0.020 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556