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 1pgl_1_2 DATA FIRST_RESID 1 DATA SEQUENCE METNLFKLSL DDVETPKGSM LDLKISQSKI ALPKNTVGGT ILRSDLLANF DATA SEQUENCE LTEGNFRASV DLQRTHRIKG MIKMVATVGI PENTGIALAC AMNSSIRGRA DATA SEQUENCE SSDIYTICSQ DCELWNPACT KAMTMSFNPN PCSDAWSLEF LKRTGFHCDI DATA SEQUENCE ICVTGWTATP MQDVQVTIDW FISSQECVPR TYCVLNPQNP FVLNRWMGKL DATA SEQUENCE TFPQGTSRSV KRMPLSIGGG AGAKSAILMN MPNAVLSMWR YFVGDLVFEV DATA SEQUENCE SKMTSPYIKC TVSFFIAFGN LADDTINFEA FPHKLVQFGE IQEKVVLKFS DATA SEQUENCE QEEFLTAWST QVRPATTLLA DGCPYLYAMV HDSSVSTIPG DFVIGVKLTI DATA SEQUENCE IENMCAYGLN PGISGSRLLG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.303 55.300 0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.004 0.000 1.302 2 E N 2.336 122.542 120.200 0.009 0.000 2.316 2 E HA 0.224 4.574 4.350 -0.000 0.000 0.275 2 E C -0.888 175.721 176.600 0.015 0.000 1.029 2 E CA 0.077 56.484 56.400 0.011 0.000 0.871 2 E CB 1.133 30.841 29.700 0.014 0.000 1.022 2 E HN 0.157 nan 8.360 nan 0.000 0.418 3 T N 3.765 118.327 114.554 0.013 0.000 2.907 3 T HA 0.049 4.399 4.350 -0.000 0.000 0.298 3 T C 0.188 174.904 174.700 0.026 0.000 1.017 3 T CA -0.448 61.662 62.100 0.016 0.000 1.118 3 T CB 0.429 69.302 68.868 0.009 0.000 0.948 3 T HN 0.337 nan 8.240 nan 0.000 0.531 4 N N 3.312 122.035 118.700 0.039 0.000 2.500 4 N HA 0.085 4.825 4.740 -0.000 0.000 0.236 4 N C 0.811 176.363 175.510 0.070 0.000 1.022 4 N CA -0.571 52.520 53.050 0.068 0.000 0.935 4 N CB 0.360 38.894 38.487 0.080 0.000 1.147 4 N HN 0.275 nan 8.380 nan 0.000 0.512 5 L N 3.267 124.513 121.223 0.039 0.000 2.129 5 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 5 L C 1.598 178.444 176.870 -0.041 0.000 1.087 5 L CA 1.341 56.163 54.840 -0.030 0.000 0.757 5 L CB -1.058 40.940 42.059 -0.101 0.000 0.896 5 L HN 0.514 nan 8.230 nan 0.000 0.434 6 F N 0.197 120.146 119.950 -0.003 0.000 2.171 6 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 6 F C 2.314 178.112 175.800 -0.003 0.000 1.090 6 F CA 1.379 59.378 58.000 -0.003 0.000 1.293 6 F CB -0.301 38.698 39.000 -0.003 0.000 1.013 6 F HN 0.061 nan 8.300 nan 0.000 0.486 7 K N -0.405 120.119 120.400 0.208 0.000 2.362 7 K HA -0.075 4.245 4.320 -0.000 0.000 0.200 7 K C 0.184 176.826 176.600 0.071 0.000 1.046 7 K CA 0.121 56.478 56.287 0.118 0.000 0.952 7 K CB -0.196 32.351 32.500 0.079 0.000 0.753 7 K HN 0.011 nan 8.250 nan 0.000 0.466 8 L N 1.499 122.751 121.223 0.048 0.000 2.485 8 L HA -0.050 4.290 4.340 -0.000 0.000 0.275 8 L C 0.804 177.684 176.870 0.017 0.000 1.207 8 L CA 0.544 55.394 54.840 0.017 0.000 0.855 8 L CB 0.844 42.898 42.059 -0.007 0.000 1.114 8 L HN 0.052 nan 8.230 nan 0.000 0.485 9 S N 3.271 118.977 115.700 0.010 0.000 3.983 9 S HA 0.236 4.706 4.470 -0.000 0.000 0.194 9 S C 0.917 175.515 174.600 -0.003 0.000 1.464 9 S CA -0.447 57.758 58.200 0.008 0.000 1.021 9 S CB -0.654 62.550 63.200 0.006 0.000 1.424 9 S HN 0.561 nan 8.310 nan 0.000 0.473 10 L N 0.812 122.030 121.223 -0.010 0.000 2.567 10 L HA 0.181 4.521 4.340 -0.000 0.000 0.225 10 L C 0.586 177.447 176.870 -0.016 0.000 1.119 10 L CA 0.156 54.983 54.840 -0.020 0.000 0.871 10 L CB -0.158 41.879 42.059 -0.037 0.000 1.036 10 L HN 0.492 nan 8.230 nan 0.000 0.459 11 D N -1.558 118.840 120.400 -0.004 0.000 3.123 11 D HA 0.043 4.683 4.640 -0.000 0.000 0.305 11 D C -0.144 176.160 176.300 0.006 0.000 1.373 11 D CA -0.476 53.527 54.000 0.005 0.000 0.889 11 D CB -0.089 40.721 40.800 0.016 0.000 1.070 11 D HN -0.078 nan 8.370 nan 0.000 0.494 12 D N 0.654 121.052 120.400 -0.004 0.000 2.344 12 D HA 0.001 4.641 4.640 -0.000 0.000 0.253 12 D C 1.341 177.632 176.300 -0.015 0.000 1.255 12 D CA -0.580 53.415 54.000 -0.009 0.000 0.894 12 D CB 1.403 42.194 40.800 -0.015 0.000 1.067 12 D HN 0.063 nan 8.370 nan 0.000 0.492 13 V N 1.133 121.042 119.914 -0.008 0.000 3.646 13 V HA 0.228 4.348 4.120 -0.000 0.000 0.277 13 V C 0.742 176.817 176.094 -0.031 0.000 1.274 13 V CA -0.356 61.938 62.300 -0.010 0.000 1.164 13 V CB -0.817 31.010 31.823 0.006 0.000 0.926 13 V HN 0.284 nan 8.190 nan 0.000 0.442 14 E N 1.642 121.821 120.200 -0.035 0.000 2.418 14 E HA 0.224 4.574 4.350 -0.000 0.000 0.261 14 E C 0.500 177.060 176.600 -0.065 0.000 1.070 14 E CA 0.510 56.883 56.400 -0.044 0.000 0.931 14 E CB 0.858 30.538 29.700 -0.034 0.000 0.954 14 E HN 0.505 nan 8.360 nan 0.000 0.439 15 T N 3.431 117.941 114.554 -0.074 0.000 2.898 15 T HA 0.310 4.660 4.350 -0.000 0.000 0.301 15 T C -2.191 172.463 174.700 -0.076 0.000 1.049 15 T CA -1.580 60.460 62.100 -0.101 0.000 1.095 15 T CB 0.385 69.189 68.868 -0.106 0.000 0.976 15 T HN 0.259 nan 8.240 nan 0.000 0.539 16 P HA 0.239 nan 4.420 nan 0.000 0.267 16 P C -0.990 176.297 177.300 -0.022 0.000 1.200 16 P CA 0.044 63.117 63.100 -0.045 0.000 0.772 16 P CB 0.354 32.030 31.700 -0.040 0.000 0.855 17 K N 1.465 121.860 120.400 -0.008 0.000 2.523 17 K HA 0.662 4.982 4.320 -0.000 0.000 0.257 17 K C -0.747 175.858 176.600 0.009 0.000 0.932 17 K CA -0.461 55.825 56.287 -0.002 0.000 0.812 17 K CB 1.775 34.269 32.500 -0.010 0.000 1.326 17 K HN 0.708 nan 8.250 nan 0.000 0.433 18 G N 0.917 109.724 108.800 0.012 0.000 2.350 18 G HA2 0.059 4.019 3.960 -0.000 0.000 0.276 18 G HA3 0.059 4.019 3.960 -0.000 0.000 0.276 18 G C -0.997 173.913 174.900 0.017 0.000 1.313 18 G CA -0.242 44.868 45.100 0.017 0.000 0.903 18 G HN 0.788 nan 8.290 nan 0.000 0.490 19 S N -0.753 114.960 115.700 0.022 0.000 2.634 19 S HA 0.460 4.930 4.470 -0.000 0.000 0.261 19 S C 1.755 176.373 174.600 0.029 0.000 1.271 19 S CA 0.410 58.618 58.200 0.013 0.000 0.985 19 S CB 0.971 64.181 63.200 0.017 0.000 0.968 19 S HN 0.628 nan 8.310 nan 0.000 0.568 20 M N -0.069 119.524 119.600 -0.011 0.000 2.159 20 M HA -0.047 4.433 4.480 -0.000 0.000 0.263 20 M C 2.003 178.426 176.300 0.204 0.000 1.063 20 M CA 1.143 56.434 55.300 -0.015 0.000 1.110 20 M CB -0.641 31.792 32.600 -0.278 0.000 1.374 20 M HN 0.746 nan 8.290 nan 0.000 0.411 21 L N 0.701 122.011 121.223 0.145 0.000 2.046 21 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 21 L C 1.675 178.643 176.870 0.163 0.000 1.077 21 L CA 1.984 56.928 54.840 0.174 0.000 0.747 21 L CB -0.648 41.478 42.059 0.112 0.000 0.896 21 L HN 0.217 nan 8.230 nan 0.000 0.432 22 D N -0.653 119.820 120.400 0.122 0.000 2.224 22 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 22 D C 1.824 178.196 176.300 0.120 0.000 0.965 22 D CA 1.088 55.150 54.000 0.102 0.000 0.852 22 D CB 0.109 40.949 40.800 0.066 0.000 0.947 22 D HN 0.386 nan 8.370 nan 0.000 0.494 23 L N 0.314 121.635 121.223 0.164 0.000 2.700 23 L HA 0.143 4.483 4.340 -0.000 0.000 0.234 23 L C 0.851 177.867 176.870 0.243 0.000 1.156 23 L CA -0.229 54.721 54.840 0.183 0.000 0.946 23 L CB 0.218 42.377 42.059 0.168 0.000 1.216 23 L HN -0.251 nan 8.230 nan 0.000 0.493 24 K N 1.906 122.427 120.400 0.201 0.000 2.339 24 K HA 0.134 4.454 4.320 -0.000 0.000 0.286 24 K C 1.051 177.635 176.600 -0.027 0.000 1.050 24 K CA -0.056 56.175 56.287 -0.094 0.000 0.956 24 K CB 0.824 33.188 32.500 -0.227 0.000 0.990 24 K HN 0.249 nan 8.250 nan 0.000 0.475 25 I N -0.438 120.093 120.570 -0.066 0.000 4.139 25 I HA 0.237 4.407 4.170 -0.000 0.000 0.320 25 I C 0.377 176.573 176.117 0.132 0.000 1.290 25 I CA -0.470 60.876 61.300 0.077 0.000 1.253 25 I CB 0.850 38.910 38.000 0.101 0.000 1.122 25 I HN 0.386 nan 8.210 nan 0.000 0.421 26 S N 0.162 115.873 115.700 0.018 0.000 2.643 26 S HA 0.409 4.879 4.470 -0.000 0.000 0.266 26 S C -1.887 172.735 174.600 0.038 0.000 1.130 26 S CA -0.568 57.726 58.200 0.157 0.000 0.817 26 S CB 1.748 65.018 63.200 0.117 0.000 1.107 26 S HN 0.425 nan 8.310 nan 0.000 0.471 27 Q N 1.451 121.391 119.800 0.233 0.000 2.268 27 Q HA 0.626 4.966 4.340 -0.000 0.000 0.266 27 Q C -1.911 174.270 176.000 0.301 0.000 1.006 27 Q CA -0.448 55.453 55.803 0.163 0.000 0.824 27 Q CB 1.889 30.615 28.738 -0.019 0.000 1.306 27 Q HN 0.650 nan 8.270 nan 0.000 0.424 28 S N 3.181 119.093 115.700 0.355 0.000 2.501 28 S HA 0.547 5.017 4.470 -0.000 0.000 0.301 28 S C -1.092 173.638 174.600 0.216 0.000 1.096 28 S CA -0.854 57.555 58.200 0.349 0.000 1.063 28 S CB 1.376 64.961 63.200 0.641 0.000 1.042 28 S HN 0.457 nan 8.310 nan 0.000 0.494 29 K N 2.235 122.733 120.400 0.164 0.000 2.449 29 K HA 0.416 4.736 4.320 -0.000 0.000 0.257 29 K C -1.252 175.422 176.600 0.123 0.000 0.989 29 K CA -0.606 55.756 56.287 0.125 0.000 0.916 29 K CB 1.138 33.696 32.500 0.097 0.000 1.136 29 K HN 0.359 nan 8.250 nan 0.000 0.439 30 I N 2.522 123.174 120.570 0.138 0.000 2.365 30 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 30 I C 0.383 176.557 176.117 0.096 0.000 1.004 30 I CA -0.092 61.286 61.300 0.130 0.000 1.311 30 I CB 1.423 39.520 38.000 0.162 0.000 1.401 30 I HN 0.578 nan 8.210 nan 0.000 0.491 31 A N 7.324 130.191 122.820 0.078 0.000 2.363 31 A HA 0.580 4.900 4.320 -0.000 0.000 0.270 31 A C -0.424 177.205 177.584 0.075 0.000 1.121 31 A CA -0.336 51.745 52.037 0.072 0.000 0.800 31 A CB 0.313 19.348 19.000 0.058 0.000 1.052 31 A HN 0.741 nan 8.150 nan 0.000 0.493 32 L N 4.715 125.998 121.223 0.100 0.000 2.454 32 L HA 0.332 4.672 4.340 -0.000 0.000 0.258 32 L C -2.612 174.386 176.870 0.212 0.000 1.025 32 L CA -2.065 52.853 54.840 0.130 0.000 0.901 32 L CB 2.122 44.260 42.059 0.132 0.000 1.210 32 L HN 0.454 nan 8.230 nan 0.000 0.457 33 P HA 0.014 nan 4.420 nan 0.000 0.267 33 P C 0.174 177.631 177.300 0.261 0.000 1.200 33 P CA -0.124 63.070 63.100 0.157 0.000 0.772 33 P CB 0.539 32.303 31.700 0.107 0.000 0.855 34 K N 2.035 122.474 120.400 0.066 0.000 2.442 34 K HA -0.135 4.185 4.320 -0.000 0.000 0.198 34 K C 0.320 176.850 176.600 -0.116 0.000 1.042 34 K CA 1.700 57.872 56.287 -0.193 0.000 0.958 34 K CB -0.641 31.684 32.500 -0.291 0.000 0.766 34 K HN 0.419 nan 8.250 nan 0.000 0.474 35 N N 0.129 118.878 118.700 0.082 0.000 2.214 35 N HA 0.018 4.758 4.740 -0.000 0.000 0.214 35 N C -0.675 174.952 175.510 0.194 0.000 1.132 35 N CA -0.376 52.739 53.050 0.110 0.000 0.856 35 N CB 0.584 39.098 38.487 0.045 0.000 1.020 35 N HN -0.118 nan 8.380 nan 0.000 0.509 36 T N 0.280 115.017 114.554 0.304 0.000 2.946 36 T HA 0.078 4.428 4.350 -0.000 0.000 0.311 36 T C 1.451 176.216 174.700 0.108 0.000 1.063 36 T CA 0.261 62.459 62.100 0.163 0.000 1.139 36 T CB 1.285 70.208 68.868 0.092 0.000 0.994 36 T HN 0.253 nan 8.240 nan 0.000 0.547 37 V N -0.599 119.330 119.914 0.025 0.000 3.604 37 V HA 0.632 4.752 4.120 -0.000 0.000 0.277 37 V C 0.791 176.858 176.094 -0.044 0.000 1.399 37 V CA 0.276 62.578 62.300 0.005 0.000 1.034 37 V CB -0.654 31.179 31.823 0.016 0.000 0.824 37 V HN 1.330 nan 8.190 nan 0.000 0.439 38 G N -0.597 108.156 108.800 -0.078 0.000 3.434 38 G HA2 0.455 4.415 3.960 -0.000 0.000 0.686 38 G HA3 0.455 4.415 3.960 -0.000 0.000 0.686 38 G C 0.659 175.516 174.900 -0.072 0.000 1.099 38 G CA -0.085 44.958 45.100 -0.095 0.000 0.931 38 G HN 1.868 nan 8.290 nan 0.000 0.520 39 G N 0.592 109.339 108.800 -0.089 0.000 2.234 39 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.235 39 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.235 39 G C 0.792 175.652 174.900 -0.066 0.000 0.997 39 G CA 0.800 45.856 45.100 -0.075 0.000 0.623 39 G HN 2.067 nan 8.290 nan 0.000 0.514 40 T N 1.870 116.385 114.554 -0.064 0.000 2.888 40 T HA 0.468 4.818 4.350 -0.000 0.000 0.301 40 T C 0.739 175.408 174.700 -0.052 0.000 1.001 40 T CA 0.313 62.384 62.100 -0.048 0.000 1.147 40 T CB 1.276 70.118 68.868 -0.044 0.000 0.931 40 T HN 0.327 nan 8.240 nan 0.000 0.541 41 I N 4.396 124.949 120.570 -0.029 0.000 2.301 41 I HA 0.071 4.241 4.170 -0.000 0.000 0.292 41 I C 0.685 176.803 176.117 0.000 0.000 1.046 41 I CA -0.606 60.685 61.300 -0.015 0.000 1.282 41 I CB 1.238 39.240 38.000 0.003 0.000 1.409 41 I HN 0.495 nan 8.210 nan 0.000 0.484 42 L N 5.705 126.929 121.223 0.002 0.000 2.072 42 L HA 0.116 4.456 4.340 -0.000 0.000 0.205 42 L C 0.954 177.858 176.870 0.058 0.000 1.079 42 L CA 1.358 56.211 54.840 0.023 0.000 0.752 42 L CB -0.662 41.405 42.059 0.014 0.000 0.906 42 L HN 0.587 nan 8.230 nan 0.000 0.436 43 R N -1.384 119.171 120.500 0.090 0.000 2.647 43 R HA 0.309 4.649 4.340 -0.000 0.000 0.260 43 R C -1.455 174.949 176.300 0.174 0.000 1.154 43 R CA -0.021 56.152 56.100 0.123 0.000 1.029 43 R CB 1.091 31.491 30.300 0.166 0.000 1.262 43 R HN -0.082 nan 8.270 nan 0.000 0.437 44 S N 3.002 118.777 115.700 0.125 0.000 2.707 44 S HA 0.537 5.007 4.470 -0.000 0.000 0.303 44 S C -1.537 173.106 174.600 0.072 0.000 1.132 44 S CA -0.452 57.831 58.200 0.138 0.000 1.046 44 S CB 1.312 64.616 63.200 0.173 0.000 1.004 44 S HN 0.655 nan 8.310 nan 0.000 0.483 45 D N 2.496 122.865 120.400 -0.052 0.000 2.692 45 D HA 0.377 5.017 4.640 -0.000 0.000 0.303 45 D C -1.325 174.839 176.300 -0.227 0.000 1.278 45 D CA -0.584 53.366 54.000 -0.083 0.000 0.852 45 D CB 1.117 41.809 40.800 -0.179 0.000 1.375 45 D HN 0.471 nan 8.370 nan 0.000 0.453 46 L N 1.716 122.915 121.223 -0.040 0.000 2.416 46 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 46 L C 1.471 178.419 176.870 0.130 0.000 1.161 46 L CA 0.025 54.889 54.840 0.041 0.000 0.845 46 L CB 0.688 42.784 42.059 0.061 0.000 1.119 46 L HN 0.506 nan 8.230 nan 0.000 0.464 47 L N 4.621 125.933 121.223 0.148 0.000 2.083 47 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 47 L C 2.242 179.132 176.870 0.033 0.000 1.083 47 L CA 2.134 57.046 54.840 0.120 0.000 0.752 47 L CB -0.757 41.393 42.059 0.151 0.000 0.899 47 L HN 0.820 nan 8.230 nan 0.000 0.433 48 A N -0.622 122.222 122.820 0.041 0.000 2.032 48 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 48 A C 2.065 179.638 177.584 -0.020 0.000 1.165 48 A CA 2.193 54.235 52.037 0.008 0.000 0.645 48 A CB -0.999 18.026 19.000 0.042 0.000 0.807 48 A HN 0.741 nan 8.150 nan 0.000 0.453 49 N N -1.976 116.716 118.700 -0.013 0.000 2.416 49 N HA 0.048 4.787 4.740 -0.000 0.000 0.177 49 N C 1.147 176.575 175.510 -0.138 0.000 1.036 49 N CA 0.719 53.718 53.050 -0.085 0.000 0.901 49 N CB -0.134 38.272 38.487 -0.135 0.000 0.976 49 N HN 0.513 nan 8.380 nan 0.000 0.444 50 F N 0.891 120.698 119.950 -0.239 0.000 2.234 50 F HA 0.109 4.636 4.527 -0.000 0.000 0.296 50 F C 1.632 177.097 175.800 -0.558 0.000 1.089 50 F CA 0.560 58.361 58.000 -0.332 0.000 1.343 50 F CB -0.001 38.704 39.000 -0.492 0.000 1.040 50 F HN -0.040 nan 8.300 nan 0.000 0.498 51 L N -0.980 120.002 121.223 -0.402 0.000 2.650 51 L HA -0.018 4.322 4.340 -0.000 0.000 0.235 51 L C 1.148 177.945 176.870 -0.122 0.000 1.149 51 L CA 0.711 55.317 54.840 -0.389 0.000 0.887 51 L CB -0.619 41.268 42.059 -0.287 0.000 1.021 51 L HN 0.051 nan 8.230 nan 0.000 0.441 52 T N -0.737 113.773 114.554 -0.074 0.000 3.200 52 T HA 0.136 4.486 4.350 -0.000 0.000 0.284 52 T C 0.233 174.945 174.700 0.020 0.000 1.009 52 T CA -0.214 61.880 62.100 -0.011 0.000 0.907 52 T CB 0.051 68.907 68.868 -0.019 0.000 1.120 52 T HN 0.253 nan 8.240 nan 0.000 0.534 53 E N 1.463 121.695 120.200 0.054 0.000 2.055 53 E HA 0.543 4.893 4.350 -0.000 0.000 0.274 53 E C 0.268 176.982 176.600 0.191 0.000 0.949 53 E CA -0.654 55.801 56.400 0.093 0.000 0.775 53 E CB 1.271 31.034 29.700 0.104 0.000 1.097 53 E HN 0.402 nan 8.360 nan 0.000 0.404 54 G N 3.055 111.921 108.800 0.110 0.000 2.697 54 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 54 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 54 G C -0.813 174.062 174.900 -0.041 0.000 1.179 54 G CA -1.063 44.064 45.100 0.045 0.000 0.765 54 G HN 0.484 nan 8.290 nan 0.000 0.649 55 N N 0.722 119.238 118.700 -0.307 0.000 2.955 55 N HA 0.645 5.384 4.740 -0.000 0.000 0.242 55 N C -0.076 175.208 175.510 -0.377 0.000 1.123 55 N CA -0.430 52.488 53.050 -0.220 0.000 0.949 55 N CB -0.157 38.233 38.487 -0.163 0.000 1.214 55 N HN 0.382 nan 8.380 nan 0.000 0.504 56 F N 0.500 120.451 119.950 0.001 0.000 2.321 56 F HA 0.455 4.982 4.527 -0.000 0.000 0.318 56 F C 2.054 177.858 175.800 0.007 0.000 1.129 56 F CA -0.800 57.201 58.000 0.001 0.000 1.074 56 F CB 0.662 39.655 39.000 -0.013 0.000 1.432 56 F HN 0.149 nan 8.300 nan 0.000 0.502 57 R N 0.292 120.927 120.500 0.226 0.000 2.103 57 R HA -0.161 4.178 4.340 -0.000 0.000 0.242 57 R C 1.286 177.644 176.300 0.096 0.000 1.142 57 R CA 1.659 57.835 56.100 0.126 0.000 0.960 57 R CB -0.596 29.776 30.300 0.120 0.000 0.858 57 R HN 0.603 nan 8.270 nan 0.000 0.439 58 A N -0.256 122.632 122.820 0.113 0.000 2.460 58 A HA 0.185 4.505 4.320 -0.000 0.000 0.258 58 A C 1.563 179.189 177.584 0.071 0.000 1.300 58 A CA -0.164 51.919 52.037 0.078 0.000 0.913 58 A CB 0.292 19.342 19.000 0.082 0.000 1.031 58 A HN 0.096 nan 8.150 nan 0.000 0.512 59 S N -0.482 115.272 115.700 0.090 0.000 2.368 59 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 59 S C 1.935 176.554 174.600 0.032 0.000 1.030 59 S CA 1.707 59.953 58.200 0.077 0.000 0.999 59 S CB -0.292 62.961 63.200 0.089 0.000 0.844 59 S HN 0.830 nan 8.310 nan 0.000 0.459 60 V N 1.492 121.414 119.914 0.014 0.000 3.041 60 V HA -0.074 4.046 4.120 -0.000 0.000 0.260 60 V C 1.064 177.141 176.094 -0.028 0.000 1.105 60 V CA 1.630 63.924 62.300 -0.010 0.000 1.125 60 V CB -0.581 31.233 31.823 -0.016 0.000 0.730 60 V HN 0.229 nan 8.190 nan 0.000 0.479 61 D N 0.449 120.836 120.400 -0.022 0.000 2.137 61 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 61 D C 1.858 178.115 176.300 -0.072 0.000 0.970 61 D CA 1.490 55.460 54.000 -0.050 0.000 0.837 61 D CB -0.259 40.520 40.800 -0.035 0.000 0.981 61 D HN 0.486 nan 8.370 nan 0.000 0.475 62 L N 0.583 121.786 121.223 -0.034 0.000 2.079 62 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 62 L C 1.680 178.522 176.870 -0.047 0.000 1.081 62 L CA 1.846 56.668 54.840 -0.031 0.000 0.752 62 L CB -0.320 41.768 42.059 0.049 0.000 0.896 62 L HN 0.003 nan 8.230 nan 0.000 0.433 63 Q N -1.320 118.457 119.800 -0.037 0.000 2.398 63 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 63 Q C 0.821 176.770 176.000 -0.085 0.000 0.932 63 Q CA 0.345 56.124 55.803 -0.040 0.000 0.916 63 Q CB 0.349 29.075 28.738 -0.020 0.000 1.024 63 Q HN 0.308 nan 8.270 nan 0.000 0.504 64 R N -0.206 120.220 120.500 -0.123 0.000 2.629 64 R HA 0.243 4.583 4.340 -0.000 0.000 0.386 64 R C -0.564 175.562 176.300 -0.291 0.000 1.071 64 R CA 0.156 56.145 56.100 -0.186 0.000 1.104 64 R CB 1.116 31.341 30.300 -0.125 0.000 1.370 64 R HN -0.061 nan 8.270 nan 0.000 0.574 65 T N 0.501 114.880 114.554 -0.291 0.000 2.809 65 T HA 0.281 4.631 4.350 -0.000 0.000 0.284 65 T C 0.796 175.301 174.700 -0.325 0.000 0.992 65 T CA -0.566 61.349 62.100 -0.307 0.000 0.957 65 T CB 1.707 70.440 68.868 -0.224 0.000 0.942 65 T HN 0.140 nan 8.240 nan 0.000 0.439 66 H N 2.482 121.487 119.070 -0.108 0.000 2.462 66 H HA 0.140 4.696 4.556 -0.000 0.000 0.292 66 H C 0.625 175.860 175.328 -0.156 0.000 1.049 66 H CA 0.804 56.789 56.048 -0.104 0.000 1.334 66 H CB 0.485 30.206 29.762 -0.068 0.000 1.404 66 H HN 0.301 nan 8.280 nan 0.000 0.544 67 R N 0.286 120.721 120.500 -0.107 0.000 2.514 67 R HA 0.479 4.819 4.340 -0.000 0.000 0.296 67 R C -0.916 175.188 176.300 -0.326 0.000 1.012 67 R CA -0.353 55.622 56.100 -0.210 0.000 0.897 67 R CB 2.234 32.453 30.300 -0.135 0.000 1.184 67 R HN -0.046 nan 8.270 nan 0.000 0.440 68 I N 3.077 123.309 120.570 -0.563 0.000 2.406 68 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 68 I C 0.869 176.679 176.117 -0.511 0.000 0.999 68 I CA -0.553 60.357 61.300 -0.650 0.000 1.124 68 I CB 2.005 39.306 38.000 -1.165 0.000 1.289 68 I HN 0.517 nan 8.210 nan 0.000 0.441 69 K N 3.777 124.031 120.400 -0.242 0.000 2.334 69 K HA 0.180 4.500 4.320 -0.000 0.000 0.195 69 K C 0.916 177.520 176.600 0.008 0.000 1.045 69 K CA -0.001 56.225 56.287 -0.101 0.000 1.004 69 K CB 0.563 33.019 32.500 -0.074 0.000 0.837 69 K HN 0.750 nan 8.250 nan 0.000 0.510 70 G N 1.560 110.377 108.800 0.029 0.000 2.527 70 G HA2 0.254 4.214 3.960 -0.000 0.000 0.248 70 G HA3 0.254 4.214 3.960 -0.000 0.000 0.248 70 G C 0.073 175.112 174.900 0.231 0.000 1.231 70 G CA -0.455 44.704 45.100 0.098 0.000 0.838 70 G HN -0.044 nan 8.290 nan 0.000 0.570 71 M N 0.003 119.662 119.600 0.097 0.000 2.114 71 M HA 0.275 4.755 4.480 -0.000 0.000 0.293 71 M C 0.234 176.466 176.300 -0.113 0.000 1.201 71 M CA 0.163 55.444 55.300 -0.033 0.000 1.107 71 M CB 0.817 33.358 32.600 -0.098 0.000 1.405 71 M HN 0.218 nan 8.290 nan 0.000 0.486 72 I N 1.329 121.586 120.570 -0.521 0.000 2.365 72 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 72 I C -0.016 175.913 176.117 -0.314 0.000 1.004 72 I CA -0.310 60.688 61.300 -0.504 0.000 1.311 72 I CB 0.955 38.335 38.000 -1.032 0.000 1.401 72 I HN 0.527 nan 8.210 nan 0.000 0.491 73 K N 8.345 128.749 120.400 0.006 0.000 2.324 73 K HA 0.689 5.009 4.320 -0.000 0.000 0.253 73 K C -1.166 175.538 176.600 0.174 0.000 0.932 73 K CA -0.761 55.571 56.287 0.075 0.000 0.799 73 K CB 1.790 34.317 32.500 0.045 0.000 1.154 73 K HN 0.692 nan 8.250 nan 0.000 0.425 74 M N 1.455 121.078 119.600 0.039 0.000 2.535 74 M HA 0.511 4.991 4.480 -0.000 0.000 0.314 74 M C -1.463 174.718 176.300 -0.199 0.000 1.153 74 M CA -1.010 54.165 55.300 -0.209 0.000 0.924 74 M CB 2.208 34.448 32.600 -0.600 0.000 1.710 74 M HN 0.116 nan 8.290 nan 0.000 0.451 75 V N 2.627 122.421 119.914 -0.200 0.000 2.380 75 V HA 0.752 4.872 4.120 -0.000 0.000 0.286 75 V C -0.020 175.929 176.094 -0.242 0.000 1.015 75 V CA -0.648 61.551 62.300 -0.169 0.000 0.834 75 V CB 1.025 32.840 31.823 -0.013 0.000 1.009 75 V HN 1.027 nan 8.190 nan 0.000 0.428 76 A N 3.539 126.169 122.820 -0.318 0.000 2.304 76 A HA 0.855 5.175 4.320 -0.000 0.000 0.301 76 A C 0.118 177.622 177.584 -0.133 0.000 1.132 76 A CA -0.291 51.595 52.037 -0.251 0.000 0.819 76 A CB 1.112 19.890 19.000 -0.370 0.000 1.094 76 A HN 0.655 nan 8.150 nan 0.000 0.492 77 T N 0.810 115.361 114.554 -0.005 0.000 2.991 77 T HA 0.573 4.923 4.350 -0.000 0.000 0.303 77 T C -1.608 173.157 174.700 0.110 0.000 1.015 77 T CA -0.166 61.959 62.100 0.042 0.000 1.007 77 T CB 1.198 70.072 68.868 0.010 0.000 1.034 77 T HN 1.667 nan 8.240 nan 0.000 0.446 78 V N 2.852 122.850 119.914 0.140 0.000 2.859 78 V HA 0.670 4.790 4.120 -0.000 0.000 0.257 78 V C -0.815 175.364 176.094 0.143 0.000 1.691 78 V CA -0.148 62.236 62.300 0.140 0.000 0.901 78 V CB 1.404 33.320 31.823 0.154 0.000 1.246 78 V HN 1.072 nan 8.190 nan 0.000 0.466 79 G N 6.089 114.957 108.800 0.115 0.000 2.452 79 G HA2 0.843 4.803 3.960 -0.000 0.000 0.324 79 G HA3 0.843 4.803 3.960 -0.000 0.000 0.324 79 G C -0.915 174.051 174.900 0.110 0.000 1.214 79 G CA -0.379 44.785 45.100 0.107 0.000 0.947 79 G HN 1.549 nan 8.290 nan 0.000 0.478 80 I N -0.406 120.232 120.570 0.114 0.000 2.828 80 I HA 0.711 4.881 4.170 -0.000 0.000 0.302 80 I C -2.401 173.765 176.117 0.081 0.000 1.101 80 I CA -2.764 58.610 61.300 0.124 0.000 1.031 80 I CB 2.645 40.781 38.000 0.227 0.000 1.231 80 I HN 0.297 nan 8.210 nan 0.000 0.427 81 P HA 0.161 nan 4.420 nan 0.000 0.272 81 P C -0.067 177.231 177.300 -0.004 0.000 1.240 81 P CA -0.007 63.100 63.100 0.012 0.000 0.791 81 P CB 0.851 32.536 31.700 -0.025 0.000 0.978 82 E N 0.136 120.327 120.200 -0.014 0.000 2.338 82 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 82 E C 1.170 177.640 176.600 -0.217 0.000 1.007 82 E CA 0.951 57.350 56.400 -0.002 0.000 0.849 82 E CB -0.425 29.358 29.700 0.139 0.000 0.774 82 E HN 0.625 nan 8.360 nan 0.000 0.506 83 N N 0.064 118.495 118.700 -0.449 0.000 2.362 83 N HA -0.017 4.723 4.740 -0.000 0.000 0.204 83 N C 0.207 175.555 175.510 -0.269 0.000 1.166 83 N CA 0.000 52.607 53.050 -0.738 0.000 0.831 83 N CB 0.640 38.659 38.487 -0.780 0.000 1.008 83 N HN -0.151 nan 8.380 nan 0.000 0.472 84 T N -1.461 113.035 114.554 -0.097 0.000 2.681 84 T HA 0.745 5.095 4.350 -0.000 0.000 0.296 84 T C -1.300 173.457 174.700 0.094 0.000 1.157 84 T CA -0.217 61.909 62.100 0.044 0.000 1.025 84 T CB 1.733 70.661 68.868 0.099 0.000 1.441 84 T HN 0.321 nan 8.240 nan 0.000 0.504 85 G N 0.336 109.230 108.800 0.157 0.000 2.411 85 G HA2 0.576 4.536 3.960 -0.000 0.000 0.295 85 G HA3 0.576 4.536 3.960 -0.000 0.000 0.295 85 G C -2.109 172.759 174.900 -0.053 0.000 1.542 85 G CA -0.261 44.869 45.100 0.050 0.000 0.814 85 G HN 0.968 nan 8.290 nan 0.000 0.557 86 I N -0.291 120.139 120.570 -0.233 0.000 2.882 86 I HA 0.699 4.869 4.170 -0.000 0.000 0.298 86 I C -1.071 174.804 176.117 -0.403 0.000 1.462 86 I CA -1.087 59.954 61.300 -0.432 0.000 1.000 86 I CB 2.083 39.528 38.000 -0.925 0.000 1.340 86 I HN 1.137 nan 8.210 nan 0.000 0.462 87 A N 7.001 129.595 122.820 -0.378 0.000 2.291 87 A HA 0.773 5.093 4.320 -0.000 0.000 0.311 87 A C -1.597 175.720 177.584 -0.446 0.000 1.224 87 A CA -0.382 51.442 52.037 -0.355 0.000 0.821 87 A CB 0.871 19.747 19.000 -0.206 0.000 1.172 87 A HN 0.445 nan 8.150 nan 0.000 0.494 88 L N 1.417 122.245 121.223 -0.658 0.000 2.334 88 L HA 0.877 5.217 4.340 -0.000 0.000 0.272 88 L C 0.426 176.992 176.870 -0.508 0.000 1.020 88 L CA -0.299 54.107 54.840 -0.724 0.000 0.812 88 L CB 1.673 42.986 42.059 -1.243 0.000 1.264 88 L HN 0.852 nan 8.230 nan 0.000 0.439 89 A N 0.935 123.597 122.820 -0.264 0.000 2.422 89 A HA 0.626 4.946 4.320 -0.000 0.000 0.302 89 A C -1.270 176.348 177.584 0.056 0.000 1.041 89 A CA -0.528 51.487 52.037 -0.036 0.000 0.708 89 A CB 1.528 20.456 19.000 -0.121 0.000 1.257 89 A HN 0.706 nan 8.150 nan 0.000 0.414 90 C N 3.133 122.534 119.300 0.168 0.000 2.321 90 C HA 0.809 5.269 4.460 -0.000 0.000 0.323 90 C C 0.342 175.307 174.990 -0.042 0.000 1.191 90 C CA 0.226 59.292 59.018 0.080 0.000 1.455 90 C CB -0.739 27.081 27.740 0.132 0.000 2.083 90 C HN 1.293 nan 8.230 nan 0.000 0.442 91 A N 6.577 129.343 122.820 -0.090 0.000 2.337 91 A HA 0.902 5.222 4.320 -0.000 0.000 0.329 91 A C -0.768 176.704 177.584 -0.187 0.000 1.146 91 A CA -0.532 51.422 52.037 -0.139 0.000 0.800 91 A CB 1.014 19.939 19.000 -0.126 0.000 1.220 91 A HN 0.809 nan 8.150 nan 0.000 0.472 92 M N 2.586 122.039 119.600 -0.245 0.000 2.243 92 M HA 0.404 4.884 4.480 -0.000 0.000 0.324 92 M C -0.681 175.432 176.300 -0.311 0.000 1.031 92 M CA 0.073 55.208 55.300 -0.275 0.000 0.949 92 M CB 1.634 33.982 32.600 -0.420 0.000 1.615 92 M HN 0.732 nan 8.290 nan 0.000 0.430 93 N N 0.892 119.279 118.700 -0.523 0.000 2.235 93 N HA 0.313 5.053 4.740 -0.000 0.000 0.293 93 N C -0.112 174.823 175.510 -0.958 0.000 1.083 93 N CA -0.379 52.354 53.050 -0.529 0.000 0.801 93 N CB 2.072 40.374 38.487 -0.309 0.000 1.559 93 N HN 0.537 nan 8.380 nan 0.000 0.472 94 S N 0.217 115.552 115.700 -0.609 0.000 2.387 94 S HA -0.073 4.397 4.470 -0.000 0.000 0.230 94 S C 0.850 175.264 174.600 -0.310 0.000 1.035 94 S CA 1.239 59.181 58.200 -0.430 0.000 1.014 94 S CB 0.042 63.212 63.200 -0.050 0.000 0.836 94 S HN 0.633 nan 8.310 nan 0.000 0.466 95 S N -1.633 113.911 115.700 -0.260 0.000 2.661 95 S HA 0.727 5.197 4.470 -0.000 0.000 0.268 95 S C -1.948 172.538 174.600 -0.189 0.000 1.162 95 S CA -0.761 57.337 58.200 -0.169 0.000 0.817 95 S CB 1.181 64.315 63.200 -0.110 0.000 1.141 95 S HN 0.253 nan 8.310 nan 0.000 0.477 96 I N 0.782 121.249 120.570 -0.173 0.000 2.841 96 I HA 0.603 4.773 4.170 -0.000 0.000 0.298 96 I C -1.799 174.224 176.117 -0.156 0.000 1.304 96 I CA -0.562 60.602 61.300 -0.226 0.000 1.019 96 I CB 1.825 39.570 38.000 -0.426 0.000 1.282 96 I HN 0.697 nan 8.210 nan 0.000 0.432 97 R N 4.728 125.144 120.500 -0.140 0.000 2.483 97 R HA 0.639 4.979 4.340 -0.000 0.000 0.303 97 R C 0.006 176.251 176.300 -0.092 0.000 0.987 97 R CA 0.077 56.118 56.100 -0.098 0.000 0.881 97 R CB 1.787 32.040 30.300 -0.078 0.000 1.177 97 R HN 1.029 nan 8.270 nan 0.000 0.451 98 G N 2.367 111.121 108.800 -0.077 0.000 2.569 98 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.259 98 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.259 98 G C -0.488 174.367 174.900 -0.074 0.000 1.263 98 G CA -0.575 44.486 45.100 -0.064 0.000 0.928 98 G HN 0.603 nan 8.290 nan 0.000 0.572 99 R N 1.048 121.512 120.500 -0.059 0.000 3.701 99 R HA 0.517 4.857 4.340 -0.000 0.000 0.210 99 R C 0.960 177.220 176.300 -0.067 0.000 1.598 99 R CA 0.338 56.403 56.100 -0.057 0.000 1.427 99 R CB -0.003 30.274 30.300 -0.039 0.000 1.339 99 R HN 0.886 nan 8.270 nan 0.000 0.720 100 A N 1.360 124.122 122.820 -0.097 0.000 2.406 100 A HA 0.085 4.405 4.320 -0.000 0.000 0.243 100 A C 0.552 178.087 177.584 -0.081 0.000 1.082 100 A CA -0.156 51.820 52.037 -0.103 0.000 0.786 100 A CB 0.639 19.545 19.000 -0.156 0.000 1.029 100 A HN 0.492 nan 8.150 nan 0.000 0.495 101 S N -0.136 115.524 115.700 -0.066 0.000 2.572 101 S HA 0.255 4.725 4.470 -0.000 0.000 0.279 101 S C 0.853 175.418 174.600 -0.058 0.000 1.341 101 S CA 0.139 58.311 58.200 -0.047 0.000 1.043 101 S CB 0.451 63.637 63.200 -0.022 0.000 0.887 101 S HN 0.667 nan 8.310 nan 0.000 0.516 102 S N 2.273 117.944 115.700 -0.049 0.000 2.650 102 S HA 0.172 4.642 4.470 -0.000 0.000 0.240 102 S C -0.198 174.356 174.600 -0.077 0.000 1.007 102 S CA -0.503 57.663 58.200 -0.055 0.000 0.984 102 S CB -0.043 63.136 63.200 -0.036 0.000 0.910 102 S HN 0.897 nan 8.310 nan 0.000 0.509 103 D N 1.199 121.559 120.400 -0.065 0.000 2.443 103 D HA 0.059 4.699 4.640 -0.000 0.000 0.239 103 D C 1.365 177.571 176.300 -0.156 0.000 1.136 103 D CA -0.087 53.865 54.000 -0.081 0.000 0.879 103 D CB 0.437 41.233 40.800 -0.008 0.000 1.195 103 D HN -0.012 nan 8.370 nan 0.000 0.443 104 I N 4.353 124.751 120.570 -0.287 0.000 2.315 104 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 104 I C 1.443 177.291 176.117 -0.449 0.000 1.125 104 I CA 1.638 62.638 61.300 -0.500 0.000 1.392 104 I CB -0.645 36.796 38.000 -0.931 0.000 1.065 104 I HN 0.692 nan 8.210 nan 0.000 0.424 105 Y N 0.877 120.957 120.300 -0.366 0.000 2.145 105 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 105 Y C 2.432 178.288 175.900 -0.073 0.000 1.145 105 Y CA 2.541 60.577 58.100 -0.106 0.000 1.148 105 Y CB -0.888 37.595 38.460 0.039 0.000 0.981 105 Y HN 0.205 nan 8.280 nan 0.000 0.507 106 T N 1.913 116.351 114.554 -0.193 0.000 2.821 106 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 106 T C 1.881 176.418 174.700 -0.273 0.000 1.046 106 T CA 1.913 63.865 62.100 -0.247 0.000 1.139 106 T CB -0.614 68.225 68.868 -0.047 0.000 0.871 106 T HN 0.671 nan 8.240 nan 0.000 0.454 107 I N 0.214 120.649 120.570 -0.224 0.000 3.226 107 I HA 0.112 4.282 4.170 -0.000 0.000 0.277 107 I C 2.164 178.163 176.117 -0.196 0.000 1.243 107 I CA 0.367 61.551 61.300 -0.193 0.000 1.459 107 I CB -0.627 37.284 38.000 -0.149 0.000 1.093 107 I HN 0.295 nan 8.210 nan 0.000 0.453 108 C N 0.685 119.856 119.300 -0.215 0.000 2.559 108 C HA 0.380 4.840 4.460 -0.000 0.000 0.300 108 C C 2.549 177.467 174.990 -0.119 0.000 1.288 108 C CA -0.030 58.898 59.018 -0.150 0.000 1.699 108 C CB -2.008 25.664 27.740 -0.113 0.000 1.819 108 C HN 0.630 nan 8.230 nan 0.000 0.600 109 S N -0.361 115.241 115.700 -0.163 0.000 2.458 109 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 109 S C 1.719 176.263 174.600 -0.093 0.000 1.019 109 S CA 0.800 58.918 58.200 -0.137 0.000 0.937 109 S CB -0.315 62.767 63.200 -0.196 0.000 0.788 109 S HN 0.801 nan 8.310 nan 0.000 0.511 110 Q N 1.157 120.899 119.800 -0.097 0.000 1.922 110 Q HA 0.146 4.486 4.340 -0.000 0.000 0.224 110 Q C -0.658 175.324 176.000 -0.029 0.000 0.973 110 Q CA 0.783 56.556 55.803 -0.050 0.000 0.858 110 Q CB 0.382 29.078 28.738 -0.070 0.000 0.910 110 Q HN 0.360 nan 8.270 nan 0.000 0.456 111 D N 0.170 120.529 120.400 -0.068 0.000 2.473 111 D HA 0.285 4.925 4.640 -0.000 0.000 0.253 111 D C -1.676 174.540 176.300 -0.139 0.000 1.233 111 D CA -0.073 53.879 54.000 -0.079 0.000 0.908 111 D CB 1.473 42.219 40.800 -0.090 0.000 1.170 111 D HN 0.242 nan 8.370 nan 0.000 0.558 112 C N 2.749 121.999 119.300 -0.083 0.000 2.783 112 C HA 0.608 5.068 4.460 -0.000 0.000 0.312 112 C C -1.201 173.779 174.990 -0.017 0.000 1.182 112 C CA -0.399 58.574 59.018 -0.075 0.000 1.432 112 C CB 1.722 29.416 27.740 -0.075 0.000 1.933 112 C HN 0.609 nan 8.230 nan 0.000 0.473 113 E N 2.917 123.123 120.200 0.010 0.000 2.234 113 E HA 0.664 5.014 4.350 -0.000 0.000 0.266 113 E C -1.700 175.024 176.600 0.206 0.000 0.877 113 E CA -0.328 56.115 56.400 0.071 0.000 0.758 113 E CB 1.704 31.398 29.700 -0.009 0.000 1.170 113 E HN 0.797 nan 8.360 nan 0.000 0.415 114 L N 6.113 127.470 121.223 0.225 0.000 2.325 114 L HA 0.762 5.102 4.340 -0.000 0.000 0.281 114 L C -1.559 175.517 176.870 0.344 0.000 1.004 114 L CA -0.608 54.376 54.840 0.239 0.000 0.823 114 L CB 0.426 42.574 42.059 0.148 0.000 1.236 114 L HN 0.774 nan 8.230 nan 0.000 0.415 115 W N 4.880 126.157 121.300 -0.039 0.000 3.029 115 W HA 0.537 5.197 4.660 -0.000 0.000 0.339 115 W C -1.600 174.885 176.519 -0.056 0.000 1.198 115 W CA -0.917 56.407 57.345 -0.035 0.000 1.148 115 W CB 0.973 30.413 29.460 -0.035 0.000 1.451 115 W HN 0.379 nan 8.180 nan 0.000 0.564 116 N N 2.192 120.902 118.700 0.016 0.000 2.518 116 N HA 0.369 5.109 4.740 -0.000 0.000 0.254 116 N C -2.044 173.452 175.510 -0.023 0.000 0.979 116 N CA -2.566 50.404 53.050 -0.134 0.000 0.930 116 N CB 2.028 40.474 38.487 -0.067 0.000 1.152 116 N HN 0.126 nan 8.380 nan 0.000 0.505 117 P HA -0.095 nan 4.420 nan 0.000 0.222 117 P C 0.680 178.027 177.300 0.080 0.000 1.142 117 P CA 1.002 64.138 63.100 0.059 0.000 0.788 117 P CB 0.321 32.010 31.700 -0.018 0.000 0.767 118 A N -2.185 120.662 122.820 0.044 0.000 2.119 118 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 118 A C 2.017 179.650 177.584 0.082 0.000 1.153 118 A CA 1.287 53.364 52.037 0.067 0.000 0.692 118 A CB -1.214 17.820 19.000 0.057 0.000 0.799 118 A HN 0.244 nan 8.150 nan 0.000 0.458 119 C N -2.509 116.843 119.300 0.087 0.000 2.406 119 C HA 0.223 4.683 4.460 -0.000 0.000 0.343 119 C C 0.906 175.964 174.990 0.113 0.000 1.397 119 C CA 0.445 59.522 59.018 0.098 0.000 2.069 119 C CB -0.206 27.587 27.740 0.089 0.000 2.374 119 C HN 0.390 nan 8.230 nan 0.000 0.545 120 T N 2.443 117.090 114.554 0.155 0.000 2.821 120 T HA 0.196 4.546 4.350 -0.000 0.000 0.307 120 T C 0.713 175.530 174.700 0.196 0.000 1.034 120 T CA -0.229 61.968 62.100 0.162 0.000 0.953 120 T CB 0.648 69.636 68.868 0.201 0.000 0.968 120 T HN 0.567 nan 8.240 nan 0.000 0.462 121 K N 1.316 121.787 120.400 0.119 0.000 2.404 121 K HA 0.583 4.903 4.320 -0.000 0.000 0.194 121 K C 0.393 177.037 176.600 0.073 0.000 1.023 121 K CA -0.405 55.953 56.287 0.119 0.000 1.094 121 K CB 0.651 33.204 32.500 0.088 0.000 0.841 121 K HN 0.422 nan 8.250 nan 0.000 0.523 122 A N 1.831 124.653 122.820 0.004 0.000 2.456 122 A HA 0.532 4.852 4.320 -0.000 0.000 0.288 122 A C -1.414 176.062 177.584 -0.179 0.000 1.042 122 A CA -0.792 51.201 52.037 -0.074 0.000 0.738 122 A CB 1.553 20.522 19.000 -0.050 0.000 1.266 122 A HN 0.212 nan 8.150 nan 0.000 0.407 123 M N 2.535 121.929 119.600 -0.344 0.000 2.326 123 M HA 0.584 5.064 4.480 -0.000 0.000 0.306 123 M C -1.340 174.719 176.300 -0.402 0.000 1.054 123 M CA 0.148 55.160 55.300 -0.479 0.000 0.922 123 M CB 1.768 33.742 32.600 -1.043 0.000 1.632 123 M HN 0.659 nan 8.290 nan 0.000 0.436 124 T N 5.769 120.154 114.554 -0.281 0.000 2.885 124 T HA 0.749 5.099 4.350 -0.000 0.000 0.285 124 T C -0.761 173.836 174.700 -0.172 0.000 1.019 124 T CA -0.620 61.352 62.100 -0.212 0.000 1.010 124 T CB 1.796 70.573 68.868 -0.152 0.000 1.022 124 T HN 0.795 nan 8.240 nan 0.000 0.466 125 M N 1.895 121.424 119.600 -0.118 0.000 2.365 125 M HA 0.532 5.012 4.480 -0.000 0.000 0.287 125 M C -1.730 174.619 176.300 0.080 0.000 1.154 125 M CA -0.386 54.896 55.300 -0.031 0.000 0.941 125 M CB 1.857 34.425 32.600 -0.052 0.000 1.704 125 M HN 0.581 nan 8.290 nan 0.000 0.479 126 S N 4.018 119.784 115.700 0.111 0.000 2.513 126 S HA 0.938 5.408 4.470 -0.000 0.000 0.299 126 S C -1.353 173.376 174.600 0.216 0.000 1.087 126 S CA -0.523 57.739 58.200 0.104 0.000 1.012 126 S CB 1.537 64.741 63.200 0.007 0.000 1.044 126 S HN 0.590 nan 8.310 nan 0.000 0.485 127 F N -0.164 119.765 119.950 -0.036 0.000 2.686 127 F HA 0.576 5.103 4.527 -0.000 0.000 0.311 127 F C -1.038 174.708 175.800 -0.091 0.000 1.128 127 F CA -1.175 56.801 58.000 -0.040 0.000 0.946 127 F CB 1.215 40.206 39.000 -0.014 0.000 1.336 127 F HN 0.522 nan 8.300 nan 0.000 0.457 128 N N 1.708 120.432 118.700 0.039 0.000 2.444 128 N HA 0.426 5.166 4.740 -0.000 0.000 0.262 128 N C -2.287 173.225 175.510 0.002 0.000 0.974 128 N CA -1.988 51.019 53.050 -0.072 0.000 0.933 128 N CB 1.906 40.415 38.487 0.037 0.000 1.137 128 N HN 0.344 nan 8.380 nan 0.000 0.498 129 P HA -0.020 nan 4.420 nan 0.000 0.237 129 P C -0.750 176.640 177.300 0.149 0.000 1.178 129 P CA 0.873 63.762 63.100 -0.351 0.000 0.766 129 P CB 0.076 31.234 31.700 -0.903 0.000 0.876 130 N N -0.472 118.316 118.700 0.148 0.000 2.746 130 N HA 0.181 4.921 4.740 -0.000 0.000 0.250 130 N C -2.111 173.494 175.510 0.158 0.000 1.146 130 N CA -2.021 51.156 53.050 0.211 0.000 0.828 130 N CB 1.139 39.605 38.487 -0.035 0.000 1.158 130 N HN -0.188 nan 8.380 nan 0.000 0.519 131 P HA -0.048 nan 4.420 nan 0.000 0.221 131 P C 0.682 178.052 177.300 0.117 0.000 1.145 131 P CA 0.813 64.005 63.100 0.153 0.000 0.795 131 P CB 0.202 32.010 31.700 0.180 0.000 0.775 132 C N -2.381 116.993 119.300 0.123 0.000 2.514 132 C HA 0.227 4.687 4.460 -0.000 0.000 0.271 132 C C 1.659 176.683 174.990 0.056 0.000 1.399 132 C CA 0.429 59.503 59.018 0.092 0.000 1.765 132 C CB -1.287 26.516 27.740 0.105 0.000 1.893 132 C HN 0.233 nan 8.230 nan 0.000 0.531 133 S N 0.126 115.852 115.700 0.043 0.000 3.359 133 S HA 0.351 4.821 4.470 -0.000 0.000 0.323 133 S C -1.098 173.510 174.600 0.012 0.000 1.143 133 S CA 0.027 58.235 58.200 0.013 0.000 0.989 133 S CB 0.834 64.023 63.200 -0.018 0.000 1.375 133 S HN 0.438 nan 8.310 nan 0.000 0.728 134 D N 0.388 120.785 120.400 -0.005 0.000 2.599 134 D HA 0.616 5.256 4.640 -0.000 0.000 0.249 134 D C -0.369 175.930 176.300 -0.002 0.000 1.313 134 D CA -0.076 53.927 54.000 0.005 0.000 0.815 134 D CB 0.450 41.248 40.800 -0.003 0.000 1.077 134 D HN 0.583 nan 8.370 nan 0.000 0.492 135 A N 0.205 123.012 122.820 -0.021 0.000 2.612 135 A HA 0.698 5.018 4.320 -0.000 0.000 0.293 135 A C -1.583 175.949 177.584 -0.086 0.000 1.075 135 A CA -1.121 50.871 52.037 -0.075 0.000 0.680 135 A CB 1.709 20.620 19.000 -0.148 0.000 1.279 135 A HN 0.264 nan 8.150 nan 0.000 0.411 136 W N -0.073 121.080 121.300 -0.246 0.000 3.098 136 W HA 0.851 5.511 4.660 -0.000 0.000 0.367 136 W C -0.549 175.870 176.519 -0.166 0.000 1.163 136 W CA -0.381 56.767 57.345 -0.329 0.000 1.113 136 W CB 0.731 30.057 29.460 -0.224 0.000 1.501 136 W HN 1.644 nan 8.180 nan 0.000 0.598 137 S N -0.765 115.017 115.700 0.136 0.000 2.578 137 S HA 0.293 4.763 4.470 -0.000 0.000 0.272 137 S C -0.417 174.383 174.600 0.334 0.000 1.145 137 S CA -0.476 57.703 58.200 -0.035 0.000 0.835 137 S CB 2.044 65.228 63.200 -0.027 0.000 1.104 137 S HN 0.600 nan 8.310 nan 0.000 0.458 138 L N 1.375 122.718 121.223 0.201 0.000 2.046 138 L HA 0.095 4.435 4.340 -0.000 0.000 0.208 138 L C 2.508 179.498 176.870 0.200 0.000 1.077 138 L CA 2.014 56.997 54.840 0.238 0.000 0.747 138 L CB -0.897 41.244 42.059 0.137 0.000 0.896 138 L HN 0.869 nan 8.230 nan 0.000 0.432 139 E N -0.879 119.425 120.200 0.172 0.000 2.085 139 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 139 E C 2.140 178.859 176.600 0.198 0.000 0.994 139 E CA 1.581 58.074 56.400 0.156 0.000 0.801 139 E CB -0.487 29.300 29.700 0.145 0.000 0.743 139 E HN 0.570 nan 8.360 nan 0.000 0.453 140 F N 1.068 121.083 119.950 0.109 0.000 2.126 140 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 140 F C 2.056 177.940 175.800 0.141 0.000 1.096 140 F CA 0.907 58.981 58.000 0.122 0.000 1.255 140 F CB -0.112 38.972 39.000 0.140 0.000 0.997 140 F HN -0.018 nan 8.300 nan 0.000 0.479 141 L N 0.785 122.162 121.223 0.257 0.000 2.083 141 L HA -0.180 4.159 4.340 -0.000 0.000 0.209 141 L C 2.305 179.212 176.870 0.061 0.000 1.083 141 L CA 1.735 56.653 54.840 0.130 0.000 0.752 141 L CB -1.076 41.081 42.059 0.163 0.000 0.899 141 L HN 0.113 nan 8.230 nan 0.000 0.433 142 K N -0.827 119.614 120.400 0.067 0.000 2.007 142 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 142 K C 1.987 178.593 176.600 0.010 0.000 1.047 142 K CA 1.159 57.473 56.287 0.045 0.000 0.937 142 K CB -0.156 32.374 32.500 0.050 0.000 0.718 142 K HN 0.232 nan 8.250 nan 0.000 0.438 143 R N 0.047 120.542 120.500 -0.008 0.000 2.307 143 R HA 0.008 4.348 4.340 -0.000 0.000 0.199 143 R C 1.596 177.847 176.300 -0.082 0.000 1.000 143 R CA 0.741 56.825 56.100 -0.028 0.000 1.023 143 R CB 0.082 30.381 30.300 -0.001 0.000 0.908 143 R HN 0.096 nan 8.270 nan 0.000 0.473 144 T N -1.046 113.413 114.554 -0.158 0.000 3.015 144 T HA 0.127 4.477 4.350 -0.000 0.000 0.250 144 T C 1.104 175.743 174.700 -0.101 0.000 1.057 144 T CA 0.949 62.915 62.100 -0.225 0.000 1.066 144 T CB 0.486 68.999 68.868 -0.593 0.000 0.959 144 T HN 0.528 nan 8.240 nan 0.000 0.488 145 G N 1.352 110.134 108.800 -0.031 0.000 2.132 145 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.234 145 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.234 145 G C 0.071 175.016 174.900 0.075 0.000 0.989 145 G CA -0.245 44.870 45.100 0.024 0.000 0.676 145 G HN 0.509 nan 8.290 nan 0.000 0.522 146 F N 2.724 122.656 119.950 -0.029 0.000 2.612 146 F HA 0.345 4.872 4.527 -0.000 0.000 0.389 146 F C 1.030 176.871 175.800 0.068 0.000 1.055 146 F CA 0.435 58.443 58.000 0.013 0.000 1.232 146 F CB 0.349 39.353 39.000 0.007 0.000 1.044 146 F HN 0.286 nan 8.300 nan 0.000 0.560 147 H N 5.051 123.931 119.070 -0.316 0.000 2.573 147 H HA 0.463 5.019 4.556 -0.000 0.000 0.351 147 H C -1.093 174.166 175.328 -0.115 0.000 1.163 147 H CA -0.793 55.174 56.048 -0.136 0.000 1.205 147 H CB 1.894 31.549 29.762 -0.177 0.000 1.605 147 H HN 0.736 nan 8.280 nan 0.000 0.525 148 C N 4.784 123.845 119.300 -0.398 0.000 2.481 148 C HA 0.366 4.825 4.460 -0.000 0.000 0.324 148 C C -1.283 173.597 174.990 -0.184 0.000 1.170 148 C CA -0.567 58.296 59.018 -0.258 0.000 1.361 148 C CB 0.399 27.892 27.740 -0.413 0.000 1.977 148 C HN 0.753 nan 8.230 nan 0.000 0.459 149 D N 5.218 125.576 120.400 -0.069 0.000 2.505 149 D HA 0.475 5.115 4.640 -0.000 0.000 0.249 149 D C -0.761 175.540 176.300 0.002 0.000 1.082 149 D CA -0.029 53.983 54.000 0.020 0.000 0.839 149 D CB 1.982 42.806 40.800 0.041 0.000 1.317 149 D HN 0.552 nan 8.370 nan 0.000 0.497 150 I N 4.179 124.781 120.570 0.053 0.000 2.382 150 I HA 0.360 4.530 4.170 -0.000 0.000 0.285 150 I C 0.232 176.349 176.117 0.001 0.000 1.007 150 I CA -0.691 60.634 61.300 0.042 0.000 1.142 150 I CB 1.138 39.207 38.000 0.114 0.000 1.289 150 I HN 0.231 nan 8.210 nan 0.000 0.453 151 I N 3.251 123.785 120.570 -0.059 0.000 2.957 151 I HA 0.628 4.798 4.170 -0.000 0.000 0.310 151 I C -0.598 175.421 176.117 -0.164 0.000 1.063 151 I CA -0.706 60.536 61.300 -0.096 0.000 1.033 151 I CB 2.252 40.188 38.000 -0.106 0.000 1.230 151 I HN 0.563 nan 8.210 nan 0.000 0.447 152 C N 4.411 123.607 119.300 -0.173 0.000 2.239 152 C HA 0.539 4.999 4.460 -0.000 0.000 0.325 152 C C 1.396 176.260 174.990 -0.210 0.000 1.231 152 C CA -0.258 58.619 59.018 -0.236 0.000 1.652 152 C CB -0.020 27.581 27.740 -0.232 0.000 2.284 152 C HN 0.705 nan 8.230 nan 0.000 0.499 153 V N 4.731 124.507 119.914 -0.231 0.000 2.591 153 V HA 0.094 4.214 4.120 -0.000 0.000 0.249 153 V C 1.338 177.346 176.094 -0.143 0.000 1.053 153 V CA 1.606 63.788 62.300 -0.197 0.000 1.068 153 V CB -0.417 31.277 31.823 -0.214 0.000 0.689 153 V HN 0.941 nan 8.190 nan 0.000 0.462 154 T N -0.318 114.134 114.554 -0.170 0.000 2.971 154 T HA 0.586 4.936 4.350 -0.000 0.000 0.304 154 T C 0.226 174.810 174.700 -0.194 0.000 1.038 154 T CA -0.071 61.946 62.100 -0.138 0.000 1.007 154 T CB 1.645 70.444 68.868 -0.115 0.000 1.055 154 T HN 0.367 nan 8.240 nan 0.000 0.451 155 G N 1.012 109.731 108.800 -0.136 0.000 2.611 155 G HA2 0.395 4.355 3.960 -0.000 0.000 0.273 155 G HA3 0.395 4.355 3.960 -0.000 0.000 0.273 155 G C -0.532 174.294 174.900 -0.123 0.000 1.305 155 G CA -0.721 44.291 45.100 -0.146 0.000 1.010 155 G HN 0.707 nan 8.290 nan 0.000 0.509 156 W N -0.776 120.493 121.300 -0.051 0.000 2.223 156 W HA 0.265 4.925 4.660 -0.000 0.000 0.334 156 W C 1.738 178.237 176.519 -0.033 0.000 1.334 156 W CA 0.027 57.344 57.345 -0.047 0.000 1.246 156 W CB 0.474 29.910 29.460 -0.041 0.000 1.184 156 W HN 0.422 nan 8.180 nan 0.000 0.563 157 T N 2.155 116.847 114.554 0.230 0.000 2.896 157 T HA 0.118 4.468 4.350 -0.000 0.000 0.263 157 T C 0.428 175.203 174.700 0.125 0.000 1.050 157 T CA 1.237 63.418 62.100 0.136 0.000 1.140 157 T CB -0.004 68.926 68.868 0.105 0.000 0.877 157 T HN 0.457 nan 8.240 nan 0.000 0.457 158 A N 1.688 124.591 122.820 0.138 0.000 2.408 158 A HA 0.584 4.903 4.320 -0.000 0.000 0.295 158 A C 0.098 177.660 177.584 -0.038 0.000 1.040 158 A CA -0.917 51.144 52.037 0.039 0.000 0.707 158 A CB 0.900 19.898 19.000 -0.003 0.000 1.235 158 A HN 0.231 nan 8.150 nan 0.000 0.418 159 T N 1.428 115.899 114.554 -0.139 0.000 2.919 159 T HA 0.560 4.910 4.350 -0.000 0.000 0.302 159 T C -2.094 172.324 174.700 -0.470 0.000 1.031 159 T CA -0.945 60.908 62.100 -0.412 0.000 1.127 159 T CB 0.185 68.868 68.868 -0.308 0.000 0.952 159 T HN 0.369 nan 8.240 nan 0.000 0.540 160 P HA 0.265 nan 4.420 nan 0.000 0.273 160 P C 0.902 178.006 177.300 -0.328 0.000 1.250 160 P CA -0.780 62.006 63.100 -0.524 0.000 0.793 160 P CB 0.407 31.699 31.700 -0.680 0.000 1.011 161 M N -0.661 118.809 119.600 -0.215 0.000 2.132 161 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 161 M C 0.850 177.070 176.300 -0.133 0.000 1.065 161 M CA 2.194 57.408 55.300 -0.143 0.000 1.122 161 M CB -0.516 32.024 32.600 -0.100 0.000 1.365 161 M HN 0.361 nan 8.290 nan 0.000 0.411 162 Q N -1.023 118.693 119.800 -0.139 0.000 2.668 162 Q HA 0.317 4.657 4.340 -0.000 0.000 0.298 162 Q C -1.269 174.666 176.000 -0.109 0.000 1.071 162 Q CA -0.718 55.025 55.803 -0.100 0.000 0.789 162 Q CB 1.290 29.992 28.738 -0.060 0.000 1.497 162 Q HN 0.022 nan 8.270 nan 0.000 0.460 163 D N -0.293 120.076 120.400 -0.052 0.000 2.362 163 D HA 0.297 4.937 4.640 -0.000 0.000 0.242 163 D C -0.596 175.720 176.300 0.025 0.000 1.132 163 D CA 0.142 54.136 54.000 -0.010 0.000 0.907 163 D CB 0.919 41.729 40.800 0.017 0.000 1.195 163 D HN 0.178 nan 8.370 nan 0.000 0.429 164 V N 0.951 120.923 119.914 0.097 0.000 3.096 164 V HA 0.477 4.597 4.120 -0.000 0.000 0.319 164 V C -0.182 175.987 176.094 0.126 0.000 1.103 164 V CA -0.744 61.638 62.300 0.137 0.000 1.016 164 V CB 1.972 33.961 31.823 0.276 0.000 1.090 164 V HN 0.447 nan 8.190 nan 0.000 0.449 165 Q N 0.596 120.465 119.800 0.114 0.000 2.284 165 Q HA 0.603 4.943 4.340 -0.000 0.000 0.269 165 Q C -2.185 173.876 176.000 0.103 0.000 1.026 165 Q CA -0.407 55.455 55.803 0.098 0.000 0.831 165 Q CB 2.438 31.224 28.738 0.080 0.000 1.322 165 Q HN 0.561 nan 8.270 nan 0.000 0.419 166 V N 2.963 122.940 119.914 0.105 0.000 2.427 166 V HA 0.474 4.594 4.120 -0.000 0.000 0.286 166 V C -0.210 175.946 176.094 0.103 0.000 1.034 166 V CA -0.301 62.071 62.300 0.119 0.000 0.893 166 V CB 1.684 33.593 31.823 0.143 0.000 0.982 166 V HN 0.826 nan 8.190 nan 0.000 0.452 167 T N 6.429 121.030 114.554 0.078 0.000 2.771 167 T HA 0.644 4.994 4.350 -0.000 0.000 0.281 167 T C -0.279 174.409 174.700 -0.020 0.000 0.982 167 T CA -0.123 62.004 62.100 0.046 0.000 0.978 167 T CB 0.835 69.725 68.868 0.037 0.000 0.930 167 T HN 0.389 nan 8.240 nan 0.000 0.447 168 I N 3.057 123.588 120.570 -0.065 0.000 2.362 168 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 168 I C -0.420 175.453 176.117 -0.406 0.000 0.994 168 I CA -0.846 60.281 61.300 -0.288 0.000 1.158 168 I CB 1.549 39.306 38.000 -0.406 0.000 1.315 168 I HN 0.433 nan 8.210 nan 0.000 0.451 169 D N 5.766 125.905 120.400 -0.435 0.000 2.233 169 D HA 0.284 4.924 4.640 -0.000 0.000 0.240 169 D C -1.135 174.789 176.300 -0.626 0.000 1.074 169 D CA -0.072 53.639 54.000 -0.482 0.000 0.838 169 D CB 1.411 42.023 40.800 -0.312 0.000 1.124 169 D HN 0.234 nan 8.370 nan 0.000 0.475 170 W N 2.526 123.528 121.300 -0.495 0.000 2.478 170 W HA 0.499 5.159 4.660 -0.000 0.000 0.318 170 W C -0.331 175.857 176.519 -0.551 0.000 1.062 170 W CA -0.708 56.446 57.345 -0.317 0.000 1.210 170 W CB 0.831 30.198 29.460 -0.154 0.000 1.325 170 W HN 0.173 nan 8.180 nan 0.000 0.496 171 F N 2.195 122.237 119.950 0.154 0.000 2.613 171 F HA 0.563 5.090 4.527 -0.000 0.000 0.314 171 F C -0.117 175.738 175.800 0.093 0.000 1.075 171 F CA -1.358 56.691 58.000 0.082 0.000 0.945 171 F CB 1.114 40.121 39.000 0.012 0.000 1.310 171 F HN -0.045 nan 8.300 nan 0.000 0.467 172 I N 1.478 122.228 120.570 0.299 0.000 2.342 172 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 172 I C 0.283 176.498 176.117 0.163 0.000 1.010 172 I CA -0.222 61.215 61.300 0.228 0.000 1.308 172 I CB 1.438 39.548 38.000 0.183 0.000 1.400 172 I HN 0.561 nan 8.210 nan 0.000 0.488 173 S N 3.387 119.152 115.700 0.109 0.000 2.632 173 S HA 0.190 4.660 4.470 -0.000 0.000 0.267 173 S C 1.118 175.734 174.600 0.026 0.000 1.276 173 S CA -0.361 57.863 58.200 0.040 0.000 0.998 173 S CB 1.378 64.581 63.200 0.004 0.000 0.953 173 S HN 0.635 nan 8.310 nan 0.000 0.547 174 S N 0.918 116.616 115.700 -0.004 0.000 2.501 174 S HA 0.157 4.627 4.470 -0.000 0.000 0.220 174 S C 0.274 174.870 174.600 -0.007 0.000 0.997 174 S CA 0.185 58.381 58.200 -0.007 0.000 0.919 174 S CB -0.087 63.101 63.200 -0.020 0.000 0.778 174 S HN 0.628 nan 8.310 nan 0.000 0.523 175 Q N 2.147 121.942 119.800 -0.009 0.000 2.304 175 Q HA 0.273 4.613 4.340 -0.000 0.000 0.260 175 Q C -0.030 175.972 176.000 0.005 0.000 0.965 175 Q CA 0.172 55.971 55.803 -0.007 0.000 0.898 175 Q CB 0.515 29.246 28.738 -0.013 0.000 1.196 175 Q HN 0.365 nan 8.270 nan 0.000 0.402 176 E N 1.117 121.319 120.200 0.004 0.000 2.373 176 E HA 0.141 4.491 4.350 -0.000 0.000 0.263 176 E C -0.725 175.887 176.600 0.019 0.000 1.073 176 E CA -0.568 55.838 56.400 0.011 0.000 0.894 176 E CB 0.665 30.365 29.700 0.001 0.000 1.008 176 E HN 0.634 nan 8.360 nan 0.000 0.420 177 C N 2.661 121.983 119.300 0.036 0.000 2.652 177 C HA 0.336 4.796 4.460 -0.000 0.000 0.412 177 C C -0.189 174.817 174.990 0.026 0.000 1.294 177 C CA -0.583 58.460 59.018 0.042 0.000 2.127 177 C CB -0.151 27.639 27.740 0.083 0.000 2.691 177 C HN 0.412 nan 8.230 nan 0.000 0.615 178 V N 5.572 125.501 119.914 0.026 0.000 2.760 178 V HA 0.463 4.583 4.120 -0.000 0.000 0.309 178 V C -1.996 174.113 176.094 0.026 0.000 1.077 178 V CA -1.074 61.237 62.300 0.018 0.000 0.910 178 V CB 2.268 34.097 31.823 0.010 0.000 1.008 178 V HN 0.768 nan 8.190 nan 0.000 0.424 179 P HA 0.356 nan 4.420 nan 0.000 0.274 179 P C -1.062 176.247 177.300 0.016 0.000 1.237 179 P CA -0.616 62.503 63.100 0.031 0.000 0.793 179 P CB 1.147 32.863 31.700 0.027 0.000 0.977 180 R N 0.760 121.277 120.500 0.028 0.000 2.625 180 R HA 0.409 4.749 4.340 -0.000 0.000 0.286 180 R C -0.670 175.636 176.300 0.011 0.000 1.406 180 R CA -0.239 55.851 56.100 -0.016 0.000 1.052 180 R CB 0.452 30.750 30.300 -0.002 0.000 1.203 180 R HN 0.622 nan 8.270 nan 0.000 0.502 181 T N -0.274 114.259 114.554 -0.036 0.000 2.932 181 T HA 0.499 4.849 4.350 -0.000 0.000 0.289 181 T C -0.849 173.821 174.700 -0.049 0.000 1.039 181 T CA -0.596 61.537 62.100 0.056 0.000 1.024 181 T CB 1.309 70.219 68.868 0.070 0.000 1.090 181 T HN 0.283 nan 8.240 nan 0.000 0.496 182 Y N 0.077 120.410 120.300 0.055 0.000 2.328 182 Y HA 0.512 5.062 4.550 -0.000 0.000 0.333 182 Y C 0.359 176.326 175.900 0.111 0.000 0.958 182 Y CA -1.249 56.909 58.100 0.097 0.000 1.167 182 Y CB 1.360 39.882 38.460 0.104 0.000 1.151 182 Y HN 0.970 nan 8.280 nan 0.000 0.470 183 C N 5.698 125.138 119.300 0.233 0.000 2.256 183 C HA 0.316 4.776 4.460 -0.000 0.000 0.333 183 C C 1.677 176.813 174.990 0.245 0.000 1.183 183 C CA -0.397 58.731 59.018 0.183 0.000 1.692 183 C CB -1.421 26.388 27.740 0.115 0.000 2.274 183 C HN 0.925 nan 8.230 nan 0.000 0.509 184 V N 5.973 126.025 119.914 0.231 0.000 2.250 184 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 184 V C 1.810 178.113 176.094 0.349 0.000 1.060 184 V CA 1.813 64.272 62.300 0.264 0.000 1.030 184 V CB -0.529 31.384 31.823 0.149 0.000 0.643 184 V HN 0.789 nan 8.190 nan 0.000 0.445 185 L N 0.149 121.506 121.223 0.223 0.000 2.728 185 L HA 0.324 4.664 4.340 -0.000 0.000 0.235 185 L C 0.360 177.262 176.870 0.054 0.000 1.197 185 L CA 0.763 55.706 54.840 0.172 0.000 0.992 185 L CB -1.124 41.002 42.059 0.112 0.000 1.263 185 L HN 0.391 nan 8.230 nan 0.000 0.484 186 N N -0.601 118.145 118.700 0.076 0.000 2.679 186 N HA 0.188 4.928 4.740 -0.000 0.000 0.240 186 N C -2.637 172.900 175.510 0.046 0.000 1.537 186 N CA -0.700 52.354 53.050 0.007 0.000 0.793 186 N CB 1.115 39.615 38.487 0.023 0.000 1.391 186 N HN -0.110 nan 8.380 nan 0.000 0.524 187 P HA -0.011 nan 4.420 nan 0.000 0.267 187 P C -0.241 177.113 177.300 0.089 0.000 1.200 187 P CA 0.189 63.379 63.100 0.151 0.000 0.772 187 P CB 0.761 32.433 31.700 -0.048 0.000 0.855 188 Q N 1.096 120.982 119.800 0.143 0.000 2.222 188 Q HA 0.354 4.694 4.340 -0.000 0.000 0.211 188 Q C -0.057 175.991 176.000 0.081 0.000 1.013 188 Q CA -0.392 55.445 55.803 0.057 0.000 0.993 188 Q CB 0.523 29.260 28.738 -0.002 0.000 1.151 188 Q HN 0.341 nan 8.270 nan 0.000 0.544 189 N N 1.048 119.771 118.700 0.038 0.000 2.461 189 N HA 0.356 5.096 4.740 -0.000 0.000 0.284 189 N C -2.648 172.878 175.510 0.026 0.000 1.049 189 N CA -1.512 51.565 53.050 0.046 0.000 0.889 189 N CB 1.192 39.691 38.487 0.021 0.000 1.365 189 N HN 0.334 nan 8.380 nan 0.000 0.499 190 P HA 0.283 nan 4.420 nan 0.000 0.276 190 P C -0.974 176.389 177.300 0.104 0.000 1.244 190 P CA -0.405 62.739 63.100 0.074 0.000 0.801 190 P CB 0.718 32.449 31.700 0.051 0.000 1.006 191 F N 1.869 121.838 119.950 0.031 0.000 2.421 191 F HA 0.224 4.751 4.527 -0.000 0.000 0.358 191 F C -0.222 175.631 175.800 0.088 0.000 1.115 191 F CA -0.715 57.328 58.000 0.072 0.000 1.160 191 F CB 0.549 39.633 39.000 0.139 0.000 1.123 191 F HN -0.025 nan 8.300 nan 0.000 0.508 192 V N 9.112 128.743 119.914 -0.472 0.000 2.387 192 V HA -0.005 4.115 4.120 -0.000 0.000 0.260 192 V C 0.641 176.511 176.094 -0.374 0.000 1.054 192 V CA -0.022 62.104 62.300 -0.291 0.000 0.967 192 V CB 0.549 32.265 31.823 -0.179 0.000 1.036 192 V HN 0.899 nan 8.190 nan 0.000 0.481 193 L N 4.368 125.488 121.223 -0.172 0.000 2.269 193 L HA 0.356 4.695 4.340 -0.000 0.000 0.200 193 L C 1.312 178.166 176.870 -0.026 0.000 1.069 193 L CA 1.118 55.924 54.840 -0.056 0.000 0.804 193 L CB -0.292 41.856 42.059 0.149 0.000 0.987 193 L HN 0.773 nan 8.230 nan 0.000 0.468 194 N N 1.345 120.046 118.700 0.002 0.000 2.727 194 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 194 N C -0.097 175.441 175.510 0.047 0.000 1.048 194 N CA 0.920 53.984 53.050 0.023 0.000 0.714 194 N CB -1.217 37.265 38.487 -0.008 0.000 0.959 194 N HN 0.461 nan 8.380 nan 0.000 0.544 195 R N 0.251 120.808 120.500 0.095 0.000 2.254 195 R HA 0.166 4.506 4.340 -0.000 0.000 0.318 195 R C -0.092 176.379 176.300 0.284 0.000 1.031 195 R CA -0.555 55.645 56.100 0.168 0.000 0.905 195 R CB 0.610 31.024 30.300 0.191 0.000 1.050 195 R HN 0.290 nan 8.270 nan 0.000 0.456 196 W N 7.389 128.781 121.300 0.152 0.000 2.303 196 W HA 0.018 4.678 4.660 -0.000 0.000 0.318 196 W C -0.174 176.476 176.519 0.219 0.000 1.362 196 W CA -0.522 56.933 57.345 0.183 0.000 1.234 196 W CB 1.016 30.593 29.460 0.194 0.000 1.248 196 W HN 0.628 nan 8.180 nan 0.000 0.546 197 M N 4.666 124.104 119.600 -0.269 0.000 2.492 197 M HA 0.207 4.687 4.480 -0.000 0.000 0.255 197 M C 0.794 176.909 176.300 -0.308 0.000 1.139 197 M CA 0.833 56.030 55.300 -0.172 0.000 1.096 197 M CB -0.506 32.050 32.600 -0.073 0.000 1.360 197 M HN 0.583 nan 8.290 nan 0.000 0.480 198 G N 0.998 109.342 108.800 -0.760 0.000 2.339 198 G HA2 0.004 3.964 3.960 -0.000 0.000 0.381 198 G HA3 0.004 3.964 3.960 -0.000 0.000 0.381 198 G C -1.480 173.211 174.900 -0.348 0.000 1.400 198 G CA -1.006 43.885 45.100 -0.348 0.000 1.002 198 G HN 0.143 nan 8.290 nan 0.000 0.633 199 K N 0.460 120.886 120.400 0.043 0.000 2.367 199 K HA 0.627 4.947 4.320 -0.000 0.000 0.263 199 K C -0.759 175.819 176.600 -0.038 0.000 1.000 199 K CA -0.869 55.477 56.287 0.098 0.000 0.891 199 K CB 0.702 33.359 32.500 0.263 0.000 1.117 199 K HN 0.255 nan 8.250 nan 0.000 0.443 200 L N 3.828 124.998 121.223 -0.089 0.000 2.292 200 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 200 L C 0.293 176.974 176.870 -0.316 0.000 1.065 200 L CA -0.150 54.552 54.840 -0.229 0.000 0.806 200 L CB 1.200 43.166 42.059 -0.156 0.000 1.175 200 L HN 0.751 nan 8.230 nan 0.000 0.431 201 T N 0.029 114.305 114.554 -0.463 0.000 2.807 201 T HA 0.704 5.054 4.350 -0.000 0.000 0.279 201 T C -0.596 173.802 174.700 -0.503 0.000 0.993 201 T CA -0.436 61.472 62.100 -0.321 0.000 0.970 201 T CB 0.545 69.327 68.868 -0.144 0.000 0.950 201 T HN 0.132 nan 8.240 nan 0.000 0.441 202 F N 4.587 124.606 119.950 0.115 0.000 2.434 202 F HA 0.407 4.934 4.527 -0.000 0.000 0.367 202 F C -2.159 173.731 175.800 0.148 0.000 1.093 202 F CA -2.487 55.601 58.000 0.147 0.000 1.085 202 F CB 1.778 40.925 39.000 0.246 0.000 1.322 202 F HN 0.397 nan 8.300 nan 0.000 0.452 203 P HA 0.014 nan 4.420 nan 0.000 0.271 203 P C -0.733 176.660 177.300 0.155 0.000 1.218 203 P CA -0.249 62.942 63.100 0.151 0.000 0.780 203 P CB 0.832 32.585 31.700 0.087 0.000 0.901 204 Q N 0.802 120.681 119.800 0.131 0.000 2.286 204 Q HA 0.403 4.743 4.340 -0.000 0.000 0.290 204 Q C 0.869 176.915 176.000 0.077 0.000 1.049 204 Q CA 0.889 56.753 55.803 0.103 0.000 0.923 204 Q CB -0.003 28.789 28.738 0.089 0.000 1.183 204 Q HN 0.829 nan 8.270 nan 0.000 0.383 205 G N 0.262 109.100 108.800 0.062 0.000 2.369 205 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.295 205 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.295 205 G C 0.024 174.948 174.900 0.040 0.000 1.298 205 G CA -0.225 44.903 45.100 0.047 0.000 0.940 205 G HN 0.526 nan 8.290 nan 0.000 0.536 206 T N -1.994 112.578 114.554 0.030 0.000 3.144 206 T HA 0.468 4.818 4.350 -0.000 0.000 0.249 206 T C 1.223 175.942 174.700 0.032 0.000 1.089 206 T CA 1.067 63.179 62.100 0.021 0.000 0.989 206 T CB 0.159 69.033 68.868 0.010 0.000 0.992 206 T HN 1.316 nan 8.240 nan 0.000 0.540 207 S N 0.635 116.366 115.700 0.052 0.000 2.564 207 S HA 0.296 4.766 4.470 -0.000 0.000 0.278 207 S C 1.386 176.040 174.600 0.089 0.000 1.333 207 S CA -0.683 57.557 58.200 0.067 0.000 1.048 207 S CB 1.082 64.327 63.200 0.074 0.000 0.900 207 S HN 0.519 nan 8.310 nan 0.000 0.505 208 R N 2.655 123.212 120.500 0.095 0.000 2.090 208 R HA 0.031 4.371 4.340 -0.000 0.000 0.228 208 R C 0.661 177.063 176.300 0.170 0.000 1.110 208 R CA 1.275 57.448 56.100 0.120 0.000 0.973 208 R CB -0.418 29.963 30.300 0.135 0.000 0.869 208 R HN 0.805 nan 8.270 nan 0.000 0.440 209 S N -0.392 115.402 115.700 0.157 0.000 3.550 209 S HA -0.113 4.357 4.470 -0.000 0.000 0.372 209 S C -0.199 174.490 174.600 0.149 0.000 0.966 209 S CA 0.465 58.759 58.200 0.157 0.000 1.229 209 S CB -1.630 61.727 63.200 0.261 0.000 0.917 209 S HN 0.213 nan 8.310 nan 0.000 0.496 210 V N 1.009 120.987 119.914 0.107 0.000 2.644 210 V HA 0.080 4.200 4.120 -0.000 0.000 0.305 210 V C 0.619 176.670 176.094 -0.072 0.000 1.053 210 V CA 0.641 62.970 62.300 0.049 0.000 1.186 210 V CB 0.599 32.481 31.823 0.099 0.000 0.895 210 V HN 0.346 nan 8.190 nan 0.000 0.490 211 K N 4.360 124.669 120.400 -0.151 0.000 2.292 211 K HA 0.595 4.915 4.320 -0.000 0.000 0.257 211 K C -0.460 175.888 176.600 -0.419 0.000 0.940 211 K CA -0.491 55.656 56.287 -0.233 0.000 0.811 211 K CB 1.627 34.026 32.500 -0.168 0.000 1.120 211 K HN 0.553 nan 8.250 nan 0.000 0.428 212 R N 3.047 123.305 120.500 -0.404 0.000 2.388 212 R HA 0.438 4.778 4.340 -0.000 0.000 0.314 212 R C -0.746 175.472 176.300 -0.137 0.000 0.959 212 R CA -0.380 55.430 56.100 -0.484 0.000 0.851 212 R CB 1.127 31.076 30.300 -0.585 0.000 1.168 212 R HN 0.480 nan 8.270 nan 0.000 0.472 213 M N 5.617 125.149 119.600 -0.113 0.000 2.044 213 M HA 0.327 4.807 4.480 -0.000 0.000 0.333 213 M C -2.175 173.999 176.300 -0.210 0.000 1.004 213 M CA -2.039 53.191 55.300 -0.116 0.000 0.954 213 M CB 1.975 34.485 32.600 -0.150 0.000 1.468 213 M HN 0.197 nan 8.290 nan 0.000 0.414 214 P HA 0.038 nan 4.420 nan 0.000 0.268 214 P C -0.140 176.932 177.300 -0.380 0.000 1.205 214 P CA 0.070 62.694 63.100 -0.794 0.000 0.771 214 P CB 0.979 32.292 31.700 -0.645 0.000 0.858 215 L N 1.732 122.709 121.223 -0.411 0.000 2.592 215 L HA 0.027 4.367 4.340 -0.000 0.000 0.227 215 L C 1.142 178.205 176.870 0.321 0.000 1.127 215 L CA 0.357 55.160 54.840 -0.063 0.000 0.884 215 L CB -0.286 41.588 42.059 -0.309 0.000 1.065 215 L HN 0.371 nan 8.230 nan 0.000 0.457 216 S N 0.532 116.311 115.700 0.132 0.000 4.087 216 S HA 0.198 4.668 4.470 -0.000 0.000 0.213 216 S C 1.076 175.773 174.600 0.161 0.000 1.415 216 S CA -0.597 57.776 58.200 0.290 0.000 0.893 216 S CB -0.711 62.579 63.200 0.150 0.000 1.529 216 S HN 0.436 nan 8.310 nan 0.000 0.457 217 I N -1.035 119.663 120.570 0.213 0.000 3.646 217 I HA 0.339 4.509 4.170 -0.000 0.000 0.301 217 I C 0.915 177.035 176.117 0.005 0.000 1.276 217 I CA -0.616 60.741 61.300 0.095 0.000 1.254 217 I CB -0.812 37.269 38.000 0.136 0.000 1.020 217 I HN 0.468 nan 8.210 nan 0.000 0.473 218 G N 0.570 109.354 108.800 -0.026 0.000 2.562 218 G HA2 0.426 4.386 3.960 -0.000 0.000 0.275 218 G HA3 0.426 4.386 3.960 -0.000 0.000 0.275 218 G C 0.891 175.751 174.900 -0.066 0.000 1.196 218 G CA 0.069 45.112 45.100 -0.095 0.000 0.908 218 G HN 0.631 nan 8.290 nan 0.000 0.524 219 G N -1.588 107.161 108.800 -0.084 0.000 2.159 219 G HA2 0.285 4.245 3.960 -0.000 0.000 0.256 219 G HA3 0.285 4.245 3.960 -0.000 0.000 0.256 219 G C 1.325 176.192 174.900 -0.055 0.000 0.977 219 G CA 0.738 45.798 45.100 -0.066 0.000 0.652 219 G HN 2.800 nan 8.290 nan 0.000 0.531 220 G N -0.970 107.811 108.800 -0.033 0.000 2.681 220 G HA2 0.416 4.376 3.960 -0.000 0.000 0.220 220 G HA3 0.416 4.376 3.960 -0.000 0.000 0.220 220 G C 0.208 174.980 174.900 -0.214 0.000 1.353 220 G CA 0.933 46.015 45.100 -0.029 0.000 0.872 220 G HN 2.239 nan 8.290 nan 0.000 0.557 221 A N -0.415 122.113 122.820 -0.486 0.000 2.324 221 A HA 0.916 5.236 4.320 -0.000 0.000 0.330 221 A C 0.853 178.262 177.584 -0.292 0.000 1.165 221 A CA 0.785 52.487 52.037 -0.559 0.000 0.813 221 A CB 1.188 19.520 19.000 -1.113 0.000 1.197 221 A HN 2.416 nan 8.150 nan 0.000 0.484 222 G N -0.096 108.589 108.800 -0.191 0.000 2.527 222 G HA2 0.623 4.583 3.960 -0.000 0.000 0.248 222 G HA3 0.623 4.583 3.960 -0.000 0.000 0.248 222 G C 0.050 174.891 174.900 -0.099 0.000 1.231 222 G CA 0.550 45.580 45.100 -0.116 0.000 0.838 222 G HN 1.623 nan 8.290 nan 0.000 0.570 223 A N 1.286 124.065 122.820 -0.068 0.000 2.552 223 A HA 0.738 5.058 4.320 -0.000 0.000 0.288 223 A C -0.026 177.536 177.584 -0.037 0.000 1.193 223 A CA -0.801 51.206 52.037 -0.050 0.000 0.713 223 A CB 1.065 20.039 19.000 -0.044 0.000 1.305 223 A HN 0.665 nan 8.150 nan 0.000 0.424 224 K N 1.019 121.402 120.400 -0.029 0.000 2.307 224 K HA 0.267 4.587 4.320 -0.000 0.000 0.285 224 K C -0.301 176.285 176.600 -0.023 0.000 1.073 224 K CA 1.025 57.297 56.287 -0.024 0.000 0.996 224 K CB -0.399 32.089 32.500 -0.020 0.000 0.994 224 K HN 0.837 nan 8.250 nan 0.000 0.452 225 S N 0.469 116.155 115.700 -0.023 0.000 3.587 225 S HA -0.228 4.242 4.470 -0.000 0.000 0.337 225 S C -0.436 174.149 174.600 -0.024 0.000 1.119 225 S CA 0.919 59.106 58.200 -0.021 0.000 0.976 225 S CB -1.169 62.020 63.200 -0.018 0.000 0.922 225 S HN 0.924 nan 8.310 nan 0.000 0.503 226 A N -0.060 122.743 122.820 -0.029 0.000 2.564 226 A HA 0.867 5.187 4.320 -0.000 0.000 0.291 226 A C -0.880 176.680 177.584 -0.040 0.000 1.102 226 A CA -0.610 51.408 52.037 -0.031 0.000 0.660 226 A CB 1.084 20.067 19.000 -0.028 0.000 1.283 226 A HN 0.985 nan 8.150 nan 0.000 0.430 227 I N -1.522 119.024 120.570 -0.039 0.000 2.689 227 I HA 0.809 4.979 4.170 -0.000 0.000 0.299 227 I C -1.510 174.588 176.117 -0.032 0.000 1.059 227 I CA -1.014 60.255 61.300 -0.051 0.000 1.055 227 I CB 1.543 39.514 38.000 -0.049 0.000 1.243 227 I HN 0.418 nan 8.210 nan 0.000 0.425 228 L N 5.092 126.292 121.223 -0.038 0.000 2.375 228 L HA 0.736 5.076 4.340 -0.000 0.000 0.268 228 L C -0.258 176.708 176.870 0.160 0.000 1.058 228 L CA -0.289 54.586 54.840 0.058 0.000 0.803 228 L CB 1.589 43.695 42.059 0.078 0.000 1.212 228 L HN 0.832 nan 8.230 nan 0.000 0.451 229 M N 3.126 122.857 119.600 0.217 0.000 2.414 229 M HA 0.412 4.892 4.480 -0.000 0.000 0.287 229 M C -1.623 174.701 176.300 0.040 0.000 1.181 229 M CA -0.415 54.989 55.300 0.173 0.000 0.933 229 M CB 1.958 34.583 32.600 0.042 0.000 1.732 229 M HN 0.708 nan 8.290 nan 0.000 0.486 230 N N 4.003 122.679 118.700 -0.040 0.000 2.312 230 N HA 0.366 5.106 4.740 -0.000 0.000 0.296 230 N C 0.233 175.648 175.510 -0.159 0.000 1.193 230 N CA -0.844 52.108 53.050 -0.164 0.000 0.773 230 N CB 1.423 39.729 38.487 -0.302 0.000 1.435 230 N HN 0.829 nan 8.380 nan 0.000 0.484 231 M N 0.592 120.076 119.600 -0.194 0.000 2.082 231 M HA -0.064 4.416 4.480 -0.000 0.000 0.258 231 M C -0.966 175.148 176.300 -0.311 0.000 1.071 231 M CA 2.159 57.317 55.300 -0.237 0.000 1.103 231 M CB -1.723 30.727 32.600 -0.250 0.000 1.307 231 M HN 0.497 nan 8.290 nan 0.000 0.409 232 P HA -0.153 nan 4.420 nan 0.000 0.216 232 P C 1.004 178.224 177.300 -0.134 0.000 1.150 232 P CA 1.752 64.631 63.100 -0.369 0.000 0.837 232 P CB -0.731 30.762 31.700 -0.345 0.000 0.786 233 N N -0.241 118.390 118.700 -0.115 0.000 2.244 233 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 233 N C 1.839 177.261 175.510 -0.146 0.000 1.016 233 N CA 0.813 53.821 53.050 -0.070 0.000 0.866 233 N CB -0.207 38.299 38.487 0.033 0.000 0.980 233 N HN -0.038 nan 8.380 nan 0.000 0.430 234 A N 0.626 123.352 122.820 -0.157 0.000 1.930 234 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 234 A C 2.324 179.748 177.584 -0.266 0.000 1.175 234 A CA 1.525 53.454 52.037 -0.180 0.000 0.627 234 A CB -0.852 18.059 19.000 -0.148 0.000 0.815 234 A HN 0.327 nan 8.150 nan 0.000 0.443 235 V N -0.887 118.858 119.914 -0.282 0.000 2.453 235 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 235 V C 2.189 177.746 176.094 -0.895 0.000 1.048 235 V CA 1.984 64.058 62.300 -0.377 0.000 1.049 235 V CB -0.610 31.145 31.823 -0.114 0.000 0.672 235 V HN 0.480 nan 8.190 nan 0.000 0.457 236 L N 0.807 121.509 121.223 -0.868 0.000 2.191 236 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 236 L C 2.414 178.646 176.870 -1.062 0.000 1.103 236 L CA 2.075 56.070 54.840 -1.408 0.000 0.769 236 L CB -0.335 41.280 42.059 -0.741 0.000 0.908 236 L HN 0.453 nan 8.230 nan 0.000 0.438 237 S N -0.452 114.864 115.700 -0.640 0.000 2.515 237 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 237 S C 1.763 176.126 174.600 -0.395 0.000 0.987 237 S CA 0.688 58.641 58.200 -0.412 0.000 0.936 237 S CB -0.072 62.974 63.200 -0.257 0.000 0.766 237 S HN 0.391 nan 8.310 nan 0.000 0.528 238 M N 0.200 119.455 119.600 -0.576 0.000 2.319 238 M HA 0.059 4.539 4.480 -0.000 0.000 0.265 238 M C 0.048 176.222 176.300 -0.211 0.000 1.068 238 M CA 0.610 55.684 55.300 -0.377 0.000 1.118 238 M CB -0.677 31.705 32.600 -0.363 0.000 1.395 238 M HN 0.333 nan 8.290 nan 0.000 0.435 239 W N 0.359 121.583 121.300 -0.128 0.000 2.375 239 W HA 0.316 4.976 4.660 -0.000 0.000 0.336 239 W C 1.550 177.997 176.519 -0.120 0.000 1.160 239 W CA -0.879 56.398 57.345 -0.114 0.000 1.266 239 W CB 0.108 29.481 29.460 -0.144 0.000 1.195 239 W HN 0.090 nan 8.180 nan 0.000 0.599 240 R N 0.573 121.149 120.500 0.127 0.000 2.066 240 R HA 0.037 4.376 4.340 -0.000 0.000 0.224 240 R C -0.421 175.716 176.300 -0.271 0.000 1.122 240 R CA 1.362 57.380 56.100 -0.137 0.000 0.974 240 R CB -0.421 29.778 30.300 -0.168 0.000 0.871 240 R HN 0.393 nan 8.270 nan 0.000 0.435 241 Y N -1.145 119.282 120.300 0.211 0.000 2.545 241 Y HA 0.437 4.987 4.550 -0.000 0.000 0.348 241 Y C -0.696 175.323 175.900 0.199 0.000 1.002 241 Y CA -1.390 56.819 58.100 0.182 0.000 1.039 241 Y CB 1.894 40.464 38.460 0.183 0.000 1.271 241 Y HN 0.018 nan 8.280 nan 0.000 0.467 242 F N -0.495 119.367 119.950 -0.146 0.000 2.686 242 F HA 0.935 5.462 4.527 -0.000 0.000 0.311 242 F C -2.093 173.285 175.800 -0.702 0.000 1.128 242 F CA -1.559 56.237 58.000 -0.341 0.000 0.946 242 F CB 0.877 39.724 39.000 -0.255 0.000 1.336 242 F HN 0.290 nan 8.300 nan 0.000 0.457 243 V N -0.308 119.208 119.914 -0.663 0.000 3.242 243 V HA 1.039 5.159 4.120 -0.000 0.000 0.298 243 V C -0.326 175.651 176.094 -0.195 0.000 1.352 243 V CA -0.405 61.484 62.300 -0.685 0.000 1.052 243 V CB 0.962 32.656 31.823 -0.214 0.000 1.101 243 V HN 1.803 nan 8.190 nan 0.000 0.446 244 G N -0.092 108.708 108.800 -0.000 0.000 2.316 244 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 244 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 244 G C -2.380 172.693 174.900 0.289 0.000 1.399 244 G CA -0.803 44.384 45.100 0.145 0.000 0.833 244 G HN 0.595 nan 8.290 nan 0.000 0.565 245 D N 1.053 121.598 120.400 0.242 0.000 2.325 245 D HA 0.369 5.009 4.640 -0.000 0.000 0.251 245 D C 0.413 176.866 176.300 0.256 0.000 1.196 245 D CA 0.314 54.475 54.000 0.268 0.000 0.866 245 D CB 1.430 42.331 40.800 0.169 0.000 1.101 245 D HN 0.291 nan 8.370 nan 0.000 0.476 246 L N 1.841 123.272 121.223 0.346 0.000 2.292 246 L HA 0.413 4.753 4.340 -0.000 0.000 0.284 246 L C -0.048 176.870 176.870 0.080 0.000 1.065 246 L CA -0.935 54.020 54.840 0.191 0.000 0.806 246 L CB 1.443 43.684 42.059 0.304 0.000 1.175 246 L HN -0.033 nan 8.230 nan 0.000 0.431 247 V N 3.611 123.437 119.914 -0.147 0.000 2.378 247 V HA 0.421 4.541 4.120 -0.000 0.000 0.288 247 V C -0.431 175.502 176.094 -0.268 0.000 1.016 247 V CA -0.373 61.872 62.300 -0.091 0.000 0.840 247 V CB 1.286 33.096 31.823 -0.022 0.000 0.994 247 V HN 0.385 nan 8.190 nan 0.000 0.431 248 F N 2.207 122.226 119.950 0.115 0.000 2.458 248 F HA 0.547 5.074 4.527 -0.000 0.000 0.330 248 F C 0.472 176.283 175.800 0.018 0.000 1.082 248 F CA -0.596 57.446 58.000 0.069 0.000 0.995 248 F CB 1.652 40.691 39.000 0.066 0.000 1.170 248 F HN 0.421 nan 8.300 nan 0.000 0.478 249 E N 2.465 122.788 120.200 0.205 0.000 2.145 249 E HA 0.461 4.811 4.350 -0.000 0.000 0.262 249 E C -1.739 174.946 176.600 0.141 0.000 0.883 249 E CA -0.477 56.007 56.400 0.140 0.000 0.748 249 E CB 1.505 31.279 29.700 0.124 0.000 1.140 249 E HN 0.444 nan 8.360 nan 0.000 0.417 250 V N 3.578 123.573 119.914 0.135 0.000 2.383 250 V HA 0.287 4.407 4.120 -0.000 0.000 0.275 250 V C -0.104 176.155 176.094 0.274 0.000 1.036 250 V CA -0.463 61.946 62.300 0.183 0.000 0.889 250 V CB 1.467 33.395 31.823 0.176 0.000 0.985 250 V HN 0.596 nan 8.190 nan 0.000 0.459 251 S N 4.049 119.864 115.700 0.191 0.000 2.472 251 S HA 0.438 4.908 4.470 -0.000 0.000 0.303 251 S C -0.234 174.308 174.600 -0.096 0.000 1.099 251 S CA -0.780 57.480 58.200 0.100 0.000 1.077 251 S CB 1.398 64.668 63.200 0.116 0.000 1.031 251 S HN 0.725 nan 8.310 nan 0.000 0.487 252 K N 3.002 123.168 120.400 -0.390 0.000 2.250 252 K HA 0.277 4.597 4.320 -0.000 0.000 0.285 252 K C 0.128 176.549 176.600 -0.298 0.000 1.097 252 K CA -0.073 55.855 56.287 -0.600 0.000 0.913 252 K CB 0.047 31.959 32.500 -0.981 0.000 1.179 252 K HN 0.642 nan 8.250 nan 0.000 0.462 253 M N 2.360 121.816 119.600 -0.240 0.000 2.493 253 M HA 0.045 4.525 4.480 -0.000 0.000 0.244 253 M C 0.361 176.571 176.300 -0.151 0.000 1.182 253 M CA 0.018 55.224 55.300 -0.156 0.000 0.981 253 M CB 0.894 33.438 32.600 -0.092 0.000 1.551 253 M HN 0.457 nan 8.290 nan 0.000 0.476 254 T N -1.013 113.445 114.554 -0.159 0.000 2.888 254 T HA 0.356 4.706 4.350 -0.000 0.000 0.288 254 T C -0.378 174.322 174.700 -0.000 0.000 1.063 254 T CA -0.522 61.535 62.100 -0.072 0.000 1.010 254 T CB 1.855 70.678 68.868 -0.074 0.000 1.214 254 T HN 0.111 nan 8.240 nan 0.000 0.533 255 S N 1.358 117.097 115.700 0.066 0.000 2.563 255 S HA 0.172 4.642 4.470 -0.000 0.000 0.284 255 S C -1.673 173.035 174.600 0.180 0.000 1.331 255 S CA -0.749 57.516 58.200 0.108 0.000 1.047 255 S CB 0.421 63.690 63.200 0.114 0.000 0.859 255 S HN 0.485 nan 8.310 nan 0.000 0.514 256 P HA -0.045 nan 4.420 nan 0.000 0.223 256 P C 0.268 177.775 177.300 0.345 0.000 1.144 256 P CA 0.932 64.186 63.100 0.257 0.000 0.783 256 P CB -0.014 31.840 31.700 0.257 0.000 0.771 257 Y N -1.064 119.294 120.300 0.096 0.000 2.583 257 Y HA 0.085 4.635 4.550 -0.000 0.000 0.293 257 Y C 1.166 177.125 175.900 0.098 0.000 1.157 257 Y CA -0.228 57.924 58.100 0.087 0.000 1.315 257 Y CB -0.640 37.864 38.460 0.073 0.000 1.021 257 Y HN -0.052 nan 8.280 nan 0.000 0.536 258 I N 1.864 122.595 120.570 0.268 0.000 2.306 258 I HA 0.173 4.343 4.170 -0.000 0.000 0.288 258 I C -0.360 175.869 176.117 0.187 0.000 1.036 258 I CA -0.709 60.731 61.300 0.234 0.000 1.221 258 I CB 0.514 38.700 38.000 0.310 0.000 1.385 258 I HN -0.291 nan 8.210 nan 0.000 0.472 259 K N 4.799 125.215 120.400 0.027 0.000 2.118 259 K HA 0.666 4.986 4.320 -0.000 0.000 0.267 259 K C -0.745 175.659 176.600 -0.327 0.000 0.991 259 K CA -0.516 55.708 56.287 -0.104 0.000 0.916 259 K CB 2.313 34.775 32.500 -0.063 0.000 1.041 259 K HN 0.660 nan 8.250 nan 0.000 0.455 260 C N 0.717 119.703 119.300 -0.522 0.000 3.254 260 C HA 0.290 4.750 4.460 -0.000 0.000 0.405 260 C C -1.095 173.624 174.990 -0.452 0.000 1.027 260 C CA -0.440 58.208 59.018 -0.617 0.000 1.192 260 C CB 1.144 28.196 27.740 -1.147 0.000 1.567 260 C HN 0.844 nan 8.230 nan 0.000 0.582 261 T N 4.869 119.275 114.554 -0.247 0.000 2.753 261 T HA 0.518 4.868 4.350 -0.000 0.000 0.297 261 T C -0.059 174.557 174.700 -0.140 0.000 0.981 261 T CA -0.261 61.762 62.100 -0.129 0.000 0.956 261 T CB 0.904 69.764 68.868 -0.014 0.000 0.936 261 T HN 0.625 nan 8.240 nan 0.000 0.463 262 V N 2.896 122.729 119.914 -0.135 0.000 2.617 262 V HA 0.625 4.745 4.120 -0.000 0.000 0.298 262 V C 0.378 176.405 176.094 -0.112 0.000 1.048 262 V CA -0.714 61.454 62.300 -0.221 0.000 0.964 262 V CB 1.912 33.584 31.823 -0.250 0.000 1.004 262 V HN 0.841 nan 8.190 nan 0.000 0.466 263 S N 3.379 118.984 115.700 -0.160 0.000 2.498 263 S HA 0.743 5.213 4.470 -0.000 0.000 0.317 263 S C -1.184 173.392 174.600 -0.040 0.000 1.090 263 S CA -0.417 57.811 58.200 0.045 0.000 1.089 263 S CB 0.295 63.595 63.200 0.167 0.000 0.997 263 S HN 0.382 nan 8.310 nan 0.000 0.470 264 F N 5.302 125.392 119.950 0.233 0.000 2.480 264 F HA 0.779 5.306 4.527 -0.000 0.000 0.329 264 F C -0.034 175.994 175.800 0.379 0.000 1.091 264 F CA -0.719 57.387 58.000 0.176 0.000 0.972 264 F CB 1.581 40.721 39.000 0.235 0.000 1.150 264 F HN 0.662 nan 8.300 nan 0.000 0.467 265 F N 0.949 121.051 119.950 0.255 0.000 2.773 265 F HA 0.677 5.203 4.527 -0.000 0.000 0.314 265 F C -2.141 173.563 175.800 -0.160 0.000 1.160 265 F CA -1.536 56.540 58.000 0.127 0.000 0.920 265 F CB 0.869 39.920 39.000 0.084 0.000 1.323 265 F HN 0.070 nan 8.300 nan 0.000 0.457 266 I N 2.299 122.826 120.570 -0.070 0.000 2.377 266 I HA 0.814 4.984 4.170 -0.000 0.000 0.293 266 I C 0.055 175.924 176.117 -0.414 0.000 0.987 266 I CA -0.527 60.605 61.300 -0.279 0.000 1.185 266 I CB 0.805 38.650 38.000 -0.259 0.000 1.341 266 I HN 1.046 nan 8.210 nan 0.000 0.455 267 A N 5.723 128.301 122.820 -0.402 0.000 2.536 267 A HA 0.766 5.086 4.320 -0.000 0.000 0.293 267 A C -1.556 175.922 177.584 -0.176 0.000 1.119 267 A CA -0.564 51.200 52.037 -0.455 0.000 0.654 267 A CB 0.924 19.513 19.000 -0.684 0.000 1.291 267 A HN 0.385 nan 8.150 nan 0.000 0.439 268 F N 0.053 120.020 119.950 0.029 0.000 2.378 268 F HA 0.495 5.022 4.527 -0.000 0.000 0.325 268 F C 1.827 177.677 175.800 0.084 0.000 1.097 268 F CA 0.818 58.898 58.000 0.133 0.000 1.079 268 F CB 1.539 40.610 39.000 0.117 0.000 1.240 268 F HN 0.730 nan 8.300 nan 0.000 0.519 269 G N 0.647 109.448 108.800 0.001 0.000 2.462 269 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 269 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 269 G C 1.205 176.078 174.900 -0.045 0.000 1.121 269 G CA 0.856 45.711 45.100 -0.409 0.000 0.758 269 G HN 0.663 nan 8.290 nan 0.000 0.559 270 N N 0.306 119.077 118.700 0.118 0.000 2.515 270 N HA 0.046 4.786 4.740 -0.000 0.000 0.191 270 N C 0.473 176.071 175.510 0.146 0.000 1.182 270 N CA -0.099 53.021 53.050 0.116 0.000 0.879 270 N CB -0.271 38.281 38.487 0.108 0.000 0.984 270 N HN 0.242 nan 8.380 nan 0.000 0.453 271 L N 0.985 122.349 121.223 0.236 0.000 2.349 271 L HA 0.412 4.751 4.340 -0.000 0.000 0.275 271 L C 0.726 177.752 176.870 0.261 0.000 1.115 271 L CA -0.840 54.151 54.840 0.252 0.000 0.820 271 L CB 1.013 43.314 42.059 0.404 0.000 1.135 271 L HN 0.063 nan 8.230 nan 0.000 0.445 272 A N 2.036 124.931 122.820 0.126 0.000 2.425 272 A HA 0.081 4.401 4.320 -0.000 0.000 0.242 272 A C 0.646 178.350 177.584 0.201 0.000 1.077 272 A CA -0.397 51.707 52.037 0.113 0.000 0.781 272 A CB 0.197 19.212 19.000 0.026 0.000 1.020 272 A HN 0.844 nan 8.150 nan 0.000 0.494 273 D N 0.364 120.899 120.400 0.225 0.000 2.182 273 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 273 D C 0.882 177.346 176.300 0.273 0.000 0.986 273 D CA 1.945 56.140 54.000 0.326 0.000 0.847 273 D CB 0.007 40.925 40.800 0.195 0.000 0.942 273 D HN 0.735 nan 8.370 nan 0.000 0.467 274 D N -0.506 119.947 120.400 0.089 0.000 2.336 274 D HA -0.035 4.605 4.640 -0.000 0.000 0.228 274 D C -0.285 175.930 176.300 -0.140 0.000 1.120 274 D CA -0.091 53.914 54.000 0.009 0.000 0.839 274 D CB -0.914 39.888 40.800 0.003 0.000 0.932 274 D HN -0.182 nan 8.370 nan 0.000 0.509 275 T N 1.504 115.838 114.554 -0.367 0.000 2.792 275 T HA 0.058 4.408 4.350 -0.000 0.000 0.286 275 T C 1.783 176.169 174.700 -0.523 0.000 0.970 275 T CA -0.119 61.617 62.100 -0.606 0.000 1.187 275 T CB 0.516 68.653 68.868 -1.218 0.000 0.915 275 T HN 0.124 nan 8.240 nan 0.000 0.529 276 I N 2.689 123.082 120.570 -0.294 0.000 2.179 276 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 276 I C 1.842 177.843 176.117 -0.193 0.000 1.088 276 I CA 1.018 62.203 61.300 -0.192 0.000 1.357 276 I CB -0.242 37.676 38.000 -0.136 0.000 1.051 276 I HN 0.620 nan 8.210 nan 0.000 0.409 277 N N 0.617 119.170 118.700 -0.244 0.000 2.758 277 N HA -0.008 4.732 4.740 -0.000 0.000 0.293 277 N C 0.693 176.065 175.510 -0.231 0.000 1.273 277 N CA -0.224 52.697 53.050 -0.215 0.000 1.022 277 N CB -0.457 37.905 38.487 -0.209 0.000 1.334 277 N HN 0.081 nan 8.380 nan 0.000 0.519 278 F N 1.158 120.958 119.950 -0.249 0.000 2.171 278 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 278 F C 1.444 176.895 175.800 -0.582 0.000 1.090 278 F CA 0.886 58.650 58.000 -0.393 0.000 1.293 278 F CB -0.147 38.604 39.000 -0.415 0.000 1.013 278 F HN 0.281 nan 8.300 nan 0.000 0.486 279 E N -0.537 119.487 120.200 -0.294 0.000 2.301 279 E HA 0.161 4.511 4.350 -0.000 0.000 0.195 279 E C 1.307 177.778 176.600 -0.214 0.000 1.171 279 E CA 0.182 56.284 56.400 -0.497 0.000 1.142 279 E CB -0.167 29.177 29.700 -0.593 0.000 1.218 279 E HN 0.297 nan 8.360 nan 0.000 0.448 280 A N 0.120 122.841 122.820 -0.165 0.000 2.288 280 A HA 0.190 4.510 4.320 -0.000 0.000 0.216 280 A C 0.257 177.797 177.584 -0.073 0.000 1.199 280 A CA -0.231 51.734 52.037 -0.121 0.000 0.891 280 A CB 0.316 19.181 19.000 -0.224 0.000 0.923 280 A HN 0.101 nan 8.150 nan 0.000 0.500 281 F N 0.546 120.473 119.950 -0.038 0.000 2.378 281 F HA 0.440 4.967 4.527 -0.000 0.000 0.319 281 F C -2.189 173.706 175.800 0.159 0.000 1.155 281 F CA -2.272 55.744 58.000 0.027 0.000 1.157 281 F CB 0.338 39.318 39.000 -0.033 0.000 1.252 281 F HN -0.104 nan 8.300 nan 0.000 0.550 282 P HA 0.121 nan 4.420 nan 0.000 0.271 282 P C -1.067 176.450 177.300 0.362 0.000 1.226 282 P CA 0.409 63.667 63.100 0.262 0.000 0.765 282 P CB 0.275 32.083 31.700 0.180 0.000 0.835 283 H N 1.433 120.616 119.070 0.188 0.000 2.941 283 H HA 0.634 5.190 4.556 -0.000 0.000 0.344 283 H C -1.094 174.335 175.328 0.169 0.000 1.235 283 H CA -1.170 55.033 56.048 0.259 0.000 1.149 283 H CB 1.828 31.736 29.762 0.243 0.000 1.885 283 H HN 0.289 nan 8.280 nan 0.000 0.558 284 K N 1.670 122.242 120.400 0.286 0.000 2.482 284 K HA 0.479 4.799 4.320 -0.000 0.000 0.251 284 K C -1.151 175.570 176.600 0.202 0.000 0.936 284 K CA -0.825 55.529 56.287 0.112 0.000 0.791 284 K CB 2.455 34.961 32.500 0.010 0.000 1.213 284 K HN 0.377 nan 8.250 nan 0.000 0.428 285 L N 2.682 123.945 121.223 0.068 0.000 2.275 285 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 285 L C -0.514 176.350 176.870 -0.009 0.000 1.046 285 L CA -1.218 53.630 54.840 0.012 0.000 0.805 285 L CB 1.510 43.491 42.059 -0.131 0.000 1.193 285 L HN 0.366 nan 8.230 nan 0.000 0.426 286 V N 3.724 123.654 119.914 0.026 0.000 2.417 286 V HA 0.430 4.550 4.120 -0.000 0.000 0.291 286 V C -0.254 175.760 176.094 -0.134 0.000 1.024 286 V CA -0.547 61.713 62.300 -0.066 0.000 0.861 286 V CB 1.718 33.566 31.823 0.041 0.000 0.985 286 V HN 0.762 nan 8.190 nan 0.000 0.436 287 Q N 3.390 123.058 119.800 -0.222 0.000 2.331 287 Q HA 0.592 4.932 4.340 -0.000 0.000 0.272 287 Q C -1.724 174.156 176.000 -0.199 0.000 1.062 287 Q CA -0.527 55.195 55.803 -0.135 0.000 0.806 287 Q CB 3.106 31.804 28.738 -0.067 0.000 1.312 287 Q HN 0.633 nan 8.270 nan 0.000 0.431 288 F N 0.138 120.140 119.950 0.086 0.000 2.422 288 F HA 0.539 5.066 4.527 -0.000 0.000 0.333 288 F C 1.096 176.943 175.800 0.080 0.000 1.095 288 F CA -0.487 57.577 58.000 0.107 0.000 1.038 288 F CB 1.355 40.459 39.000 0.172 0.000 1.156 288 F HN 0.578 nan 8.300 nan 0.000 0.483 289 G N 1.391 110.342 108.800 0.252 0.000 2.572 289 G HA2 0.100 4.060 3.960 -0.000 0.000 0.261 289 G HA3 0.100 4.060 3.960 -0.000 0.000 0.261 289 G C 0.751 175.760 174.900 0.182 0.000 1.197 289 G CA -0.366 44.831 45.100 0.163 0.000 0.870 289 G HN 0.652 nan 8.290 nan 0.000 0.548 290 E N -0.050 120.230 120.200 0.134 0.000 2.068 290 E HA -0.193 4.157 4.350 -0.000 0.000 0.207 290 E C 2.106 178.794 176.600 0.147 0.000 1.032 290 E CA 1.336 57.820 56.400 0.140 0.000 0.839 290 E CB -0.066 29.705 29.700 0.120 0.000 0.758 290 E HN 0.512 nan 8.360 nan 0.000 0.457 291 I N 0.485 121.134 120.570 0.130 0.000 3.875 291 I HA -0.020 4.150 4.170 -0.000 0.000 0.329 291 I C 0.957 177.151 176.117 0.129 0.000 1.295 291 I CA -0.048 61.323 61.300 0.119 0.000 1.129 291 I CB 0.268 38.328 38.000 0.100 0.000 1.008 291 I HN -0.002 nan 8.210 nan 0.000 0.413 292 Q N 1.959 121.861 119.800 0.170 0.000 2.243 292 Q HA 0.102 4.442 4.340 -0.000 0.000 0.252 292 Q C 0.538 176.682 176.000 0.240 0.000 0.909 292 Q CA -0.086 55.847 55.803 0.218 0.000 0.922 292 Q CB 1.122 30.021 28.738 0.269 0.000 1.215 292 Q HN 0.489 nan 8.270 nan 0.000 0.427 293 E N 2.213 122.532 120.200 0.199 0.000 2.571 293 E HA 0.218 4.568 4.350 -0.000 0.000 0.222 293 E C -0.551 176.151 176.600 0.171 0.000 0.904 293 E CA -0.309 56.129 56.400 0.065 0.000 1.157 293 E CB 0.628 30.348 29.700 0.033 0.000 1.158 293 E HN 0.139 nan 8.360 nan 0.000 0.540 294 K N 0.804 121.385 120.400 0.302 0.000 2.371 294 K HA 0.586 4.906 4.320 -0.000 0.000 0.251 294 K C -1.823 174.958 176.600 0.302 0.000 0.934 294 K CA -0.903 55.562 56.287 0.295 0.000 0.798 294 K CB 2.531 35.138 32.500 0.178 0.000 1.204 294 K HN 0.021 nan 8.250 nan 0.000 0.427 295 V N 3.577 123.644 119.914 0.255 0.000 2.888 295 V HA 0.503 4.623 4.120 -0.000 0.000 0.309 295 V C -1.330 174.796 176.094 0.055 0.000 1.114 295 V CA -0.855 61.500 62.300 0.091 0.000 0.940 295 V CB 2.389 34.180 31.823 -0.054 0.000 1.021 295 V HN 0.535 nan 8.190 nan 0.000 0.426 296 V N 5.808 125.728 119.914 0.009 0.000 2.378 296 V HA 0.498 4.618 4.120 -0.000 0.000 0.288 296 V C -0.693 175.375 176.094 -0.044 0.000 1.016 296 V CA -0.616 61.689 62.300 0.009 0.000 0.840 296 V CB 1.495 33.329 31.823 0.020 0.000 0.994 296 V HN 0.511 nan 8.190 nan 0.000 0.431 297 L N 4.865 126.064 121.223 -0.039 0.000 2.322 297 L HA 0.662 5.002 4.340 -0.000 0.000 0.279 297 L C -0.113 176.727 176.870 -0.050 0.000 1.036 297 L CA -0.498 54.263 54.840 -0.133 0.000 0.807 297 L CB 1.454 43.401 42.059 -0.187 0.000 1.226 297 L HN 0.688 nan 8.230 nan 0.000 0.433 298 K N 2.704 122.969 120.400 -0.225 0.000 2.545 298 K HA 0.492 4.812 4.320 -0.000 0.000 0.252 298 K C -1.716 174.735 176.600 -0.248 0.000 0.948 298 K CA -0.097 56.132 56.287 -0.097 0.000 0.827 298 K CB 0.518 32.982 32.500 -0.059 0.000 1.128 298 K HN 0.188 nan 8.250 nan 0.000 0.429 299 F N 2.871 122.938 119.950 0.195 0.000 2.334 299 F HA 0.327 4.854 4.527 -0.000 0.000 0.367 299 F C 0.896 176.782 175.800 0.144 0.000 1.115 299 F CA -0.425 57.676 58.000 0.167 0.000 1.116 299 F CB 1.592 40.756 39.000 0.274 0.000 1.230 299 F HN 0.559 nan 8.300 nan 0.000 0.484 300 S N 2.620 118.411 115.700 0.152 0.000 2.573 300 S HA -0.035 4.435 4.470 -0.000 0.000 0.277 300 S C 1.161 175.838 174.600 0.128 0.000 1.346 300 S CA -0.580 57.693 58.200 0.121 0.000 1.034 300 S CB 0.645 63.875 63.200 0.050 0.000 0.879 300 S HN 0.801 nan 8.310 nan 0.000 0.528 301 Q N 1.582 121.504 119.800 0.204 0.000 2.431 301 Q HA 0.084 4.424 4.340 -0.000 0.000 0.210 301 Q C 0.513 176.615 176.000 0.170 0.000 0.958 301 Q CA 0.851 56.848 55.803 0.324 0.000 0.957 301 Q CB -0.175 28.777 28.738 0.356 0.000 1.007 301 Q HN 0.808 nan 8.270 nan 0.000 0.511 302 E N 0.775 120.998 120.200 0.039 0.000 2.463 302 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 302 E C 0.563 177.130 176.600 -0.055 0.000 1.041 302 E CA -0.048 56.369 56.400 0.028 0.000 0.879 302 E CB 0.417 30.138 29.700 0.036 0.000 0.997 302 E HN 0.490 nan 8.360 nan 0.000 0.478 303 E N 0.128 120.158 120.200 -0.283 0.000 2.474 303 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 303 E C -0.446 175.835 176.600 -0.531 0.000 1.039 303 E CA 0.287 56.425 56.400 -0.436 0.000 0.881 303 E CB 0.398 29.721 29.700 -0.628 0.000 0.970 303 E HN 0.089 nan 8.360 nan 0.000 0.486 304 F N 0.478 120.523 119.950 0.158 0.000 2.493 304 F HA 0.189 4.716 4.527 -0.000 0.000 0.329 304 F C 0.756 176.669 175.800 0.188 0.000 1.126 304 F CA -0.963 57.147 58.000 0.183 0.000 0.937 304 F CB 1.257 40.441 39.000 0.305 0.000 1.146 304 F HN -0.200 nan 8.300 nan 0.000 0.442 305 L N 1.251 122.683 121.223 0.349 0.000 2.179 305 L HA 0.254 4.594 4.340 -0.000 0.000 0.208 305 L C 0.497 177.503 176.870 0.227 0.000 1.096 305 L CA 1.797 56.781 54.840 0.239 0.000 0.779 305 L CB -0.028 42.147 42.059 0.193 0.000 0.922 305 L HN 0.635 nan 8.230 nan 0.000 0.443 306 T N -1.051 113.674 114.554 0.284 0.000 2.843 306 T HA 0.694 5.044 4.350 -0.000 0.000 0.302 306 T C -0.895 173.961 174.700 0.261 0.000 1.232 306 T CA -0.278 61.944 62.100 0.204 0.000 1.009 306 T CB 1.448 70.395 68.868 0.131 0.000 1.254 306 T HN 0.257 nan 8.240 nan 0.000 0.504 307 A N 0.970 123.859 122.820 0.115 0.000 2.425 307 A HA 0.608 4.928 4.320 -0.000 0.000 0.242 307 A C -0.619 177.027 177.584 0.103 0.000 1.077 307 A CA -0.214 51.806 52.037 -0.029 0.000 0.781 307 A CB -0.092 18.954 19.000 0.077 0.000 1.020 307 A HN 0.783 nan 8.150 nan 0.000 0.494 308 W N -0.143 121.139 121.300 -0.030 0.000 2.967 308 W HA 0.702 5.362 4.660 -0.000 0.000 0.342 308 W C -0.222 176.482 176.519 0.307 0.000 1.162 308 W CA -0.754 56.653 57.345 0.104 0.000 1.085 308 W CB 0.255 29.693 29.460 -0.036 0.000 1.460 308 W HN 0.517 nan 8.180 nan 0.000 0.584 309 S N 0.983 117.002 115.700 0.532 0.000 2.549 309 S HA -0.020 4.450 4.470 -0.000 0.000 0.286 309 S C 1.004 175.777 174.600 0.288 0.000 1.314 309 S CA 0.317 58.690 58.200 0.289 0.000 1.062 309 S CB 1.171 64.498 63.200 0.212 0.000 0.865 309 S HN 0.647 nan 8.310 nan 0.000 0.498 310 T N 2.190 116.837 114.554 0.155 0.000 2.904 310 T HA 0.018 4.368 4.350 -0.000 0.000 0.267 310 T C 0.523 175.279 174.700 0.093 0.000 1.059 310 T CA 1.122 63.318 62.100 0.161 0.000 1.137 310 T CB -0.014 68.855 68.868 0.002 0.000 0.879 310 T HN 0.622 nan 8.240 nan 0.000 0.467 311 Q N 0.330 120.159 119.800 0.047 0.000 2.315 311 Q HA 0.606 4.946 4.340 -0.000 0.000 0.273 311 Q C -2.037 173.986 176.000 0.038 0.000 1.053 311 Q CA -0.595 55.222 55.803 0.023 0.000 0.817 311 Q CB 2.641 31.362 28.738 -0.028 0.000 1.326 311 Q HN 0.114 nan 8.270 nan 0.000 0.423 312 V N 2.803 122.741 119.914 0.041 0.000 2.914 312 V HA 0.483 4.603 4.120 -0.000 0.000 0.314 312 V C -0.546 175.565 176.094 0.029 0.000 1.084 312 V CA -0.780 61.549 62.300 0.050 0.000 0.963 312 V CB 2.128 33.993 31.823 0.069 0.000 1.025 312 V HN 0.759 nan 8.190 nan 0.000 0.432 313 R N 6.098 126.618 120.500 0.032 0.000 2.480 313 R HA 0.101 4.441 4.340 -0.000 0.000 0.303 313 R C -1.257 175.056 176.300 0.022 0.000 0.985 313 R CA -0.785 55.328 56.100 0.022 0.000 1.051 313 R CB 0.811 31.127 30.300 0.026 0.000 0.935 313 R HN 0.525 nan 8.270 nan 0.000 0.410 314 P HA -0.268 nan 4.420 nan 0.000 0.218 314 P C 0.503 177.811 177.300 0.014 0.000 1.152 314 P CA 1.847 64.950 63.100 0.005 0.000 0.857 314 P CB 0.132 31.828 31.700 -0.008 0.000 0.787 315 A N -1.016 121.814 122.820 0.016 0.000 2.235 315 A HA 0.065 4.385 4.320 -0.000 0.000 0.208 315 A C 1.049 178.652 177.584 0.032 0.000 1.172 315 A CA 0.378 52.427 52.037 0.020 0.000 0.786 315 A CB -1.345 17.664 19.000 0.016 0.000 0.804 315 A HN 0.170 nan 8.150 nan 0.000 0.479 316 T N 2.451 117.030 114.554 0.043 0.000 2.905 316 T HA 0.271 4.620 4.350 -0.000 0.000 0.299 316 T C 0.863 175.604 174.700 0.069 0.000 1.024 316 T CA 0.939 63.075 62.100 0.060 0.000 1.151 316 T CB 0.276 69.189 68.868 0.075 0.000 0.987 316 T HN 0.619 nan 8.240 nan 0.000 0.535 317 T N 1.658 116.253 114.554 0.067 0.000 2.849 317 T HA 0.286 4.636 4.350 -0.000 0.000 0.284 317 T C 1.420 176.170 174.700 0.083 0.000 1.004 317 T CA -1.065 61.073 62.100 0.063 0.000 1.021 317 T CB 0.580 69.477 68.868 0.048 0.000 1.013 317 T HN 0.165 nan 8.240 nan 0.000 0.527 318 L N 0.640 121.897 121.223 0.056 0.000 2.127 318 L HA 0.051 4.391 4.340 -0.000 0.000 0.211 318 L C 2.247 179.151 176.870 0.057 0.000 1.089 318 L CA 1.232 56.090 54.840 0.029 0.000 0.757 318 L CB -1.455 40.584 42.059 -0.034 0.000 0.899 318 L HN 0.665 nan 8.230 nan 0.000 0.434 319 L N -1.267 119.991 121.223 0.059 0.000 2.179 319 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 319 L C 2.233 179.154 176.870 0.085 0.000 1.096 319 L CA 1.548 56.428 54.840 0.067 0.000 0.779 319 L CB -0.897 41.191 42.059 0.049 0.000 0.922 319 L HN 0.215 nan 8.230 nan 0.000 0.443 320 A N -2.364 120.511 122.820 0.091 0.000 2.348 320 A HA 0.061 4.381 4.320 -0.000 0.000 0.224 320 A C 0.639 178.304 177.584 0.135 0.000 1.227 320 A CA -0.196 51.899 52.037 0.098 0.000 0.885 320 A CB -0.276 18.771 19.000 0.078 0.000 0.933 320 A HN 0.191 nan 8.150 nan 0.000 0.506 321 D N 0.449 120.955 120.400 0.176 0.000 2.343 321 D HA 0.336 4.976 4.640 -0.000 0.000 0.255 321 D C 1.030 177.508 176.300 0.297 0.000 1.187 321 D CA 0.598 54.739 54.000 0.235 0.000 0.875 321 D CB 1.251 42.248 40.800 0.328 0.000 1.136 321 D HN 0.095 nan 8.370 nan 0.000 0.469 322 G N 2.660 111.623 108.800 0.272 0.000 3.189 322 G HA2 0.091 4.051 3.960 -0.000 0.000 0.225 322 G HA3 0.091 4.051 3.960 -0.000 0.000 0.225 322 G C 0.381 175.537 174.900 0.427 0.000 1.159 322 G CA -0.104 45.199 45.100 0.339 0.000 0.763 322 G HN 0.509 nan 8.290 nan 0.000 0.549 323 C N 1.650 121.105 119.300 0.258 0.000 2.366 323 C HA 0.550 5.010 4.460 -0.000 0.000 0.345 323 C C -1.664 173.096 174.990 -0.384 0.000 1.209 323 C CA -1.682 57.332 59.018 -0.006 0.000 2.050 323 C CB 2.220 29.943 27.740 -0.028 0.000 2.359 323 C HN 0.267 nan 8.230 nan 0.000 0.527 324 P HA 0.164 nan 4.420 nan 0.000 0.271 324 P C -1.478 175.432 177.300 -0.649 0.000 1.233 324 P CA 0.273 62.769 63.100 -1.006 0.000 0.789 324 P CB 0.524 31.641 31.700 -0.972 0.000 0.951 325 Y N -1.067 118.925 120.300 -0.514 0.000 2.576 325 Y HA 0.421 4.971 4.550 -0.000 0.000 0.346 325 Y C 0.251 175.981 175.900 -0.283 0.000 1.018 325 Y CA -1.138 56.773 58.100 -0.315 0.000 1.050 325 Y CB 2.181 40.525 38.460 -0.194 0.000 1.280 325 Y HN 0.138 nan 8.280 nan 0.000 0.474 326 L N 3.915 125.038 121.223 -0.166 0.000 2.262 326 L HA 0.426 4.766 4.340 -0.000 0.000 0.288 326 L C -1.477 175.232 176.870 -0.268 0.000 1.035 326 L CA -0.366 54.281 54.840 -0.321 0.000 0.820 326 L CB 0.250 42.027 42.059 -0.470 0.000 1.204 326 L HN 0.740 nan 8.230 nan 0.000 0.424 327 Y N 3.287 123.202 120.300 -0.641 0.000 2.354 327 Y HA 0.603 5.153 4.550 -0.000 0.000 0.322 327 Y C 0.426 175.872 175.900 -0.757 0.000 1.253 327 Y CA -0.533 57.081 58.100 -0.811 0.000 1.272 327 Y CB 1.956 39.501 38.460 -1.526 0.000 1.255 327 Y HN 0.667 nan 8.280 nan 0.000 0.500 328 A N 4.518 127.062 122.820 -0.460 0.000 2.459 328 A HA 0.773 5.093 4.320 -0.000 0.000 0.296 328 A C -0.988 176.469 177.584 -0.212 0.000 1.039 328 A CA -0.724 51.001 52.037 -0.521 0.000 0.698 328 A CB 1.031 19.753 19.000 -0.465 0.000 1.261 328 A HN 0.766 nan 8.150 nan 0.000 0.405 329 M N 0.886 120.378 119.600 -0.180 0.000 2.683 329 M HA 0.758 5.238 4.480 -0.000 0.000 0.274 329 M C -1.571 174.677 176.300 -0.086 0.000 1.272 329 M CA -0.916 54.395 55.300 0.017 0.000 0.833 329 M CB 1.672 34.329 32.600 0.094 0.000 1.708 329 M HN 0.226 nan 8.290 nan 0.000 0.463 330 V N 1.930 121.830 119.914 -0.023 0.000 2.488 330 V HA 0.070 4.190 4.120 -0.000 0.000 0.277 330 V C 0.823 176.928 176.094 0.018 0.000 1.046 330 V CA 0.135 62.383 62.300 -0.087 0.000 0.986 330 V CB 0.444 32.246 31.823 -0.035 0.000 0.989 330 V HN 1.009 nan 8.190 nan 0.000 0.475 331 H N 3.442 122.464 119.070 -0.080 0.000 2.403 331 H HA -0.051 4.505 4.556 -0.000 0.000 0.298 331 H C 1.326 176.637 175.328 -0.027 0.000 1.059 331 H CA 2.320 58.348 56.048 -0.033 0.000 1.363 331 H CB 0.470 30.217 29.762 -0.026 0.000 1.410 331 H HN 0.901 nan 8.280 nan 0.000 0.528 332 D N -1.467 118.906 120.400 -0.045 0.000 3.074 332 D HA 0.189 4.829 4.640 -0.000 0.000 0.227 332 D C -0.195 176.073 176.300 -0.054 0.000 1.553 332 D CA 0.484 54.432 54.000 -0.086 0.000 1.347 332 D CB 0.140 40.921 40.800 -0.031 0.000 1.021 332 D HN 0.270 nan 8.370 nan 0.000 0.260 333 S N -1.635 114.036 115.700 -0.049 0.000 2.567 333 S HA 0.533 5.003 4.470 -0.000 0.000 0.270 333 S C -1.222 173.342 174.600 -0.061 0.000 1.152 333 S CA -0.893 57.285 58.200 -0.036 0.000 0.835 333 S CB 1.565 64.753 63.200 -0.020 0.000 1.115 333 S HN 0.263 nan 8.310 nan 0.000 0.459 334 S N 1.028 116.712 115.700 -0.026 0.000 2.404 334 S HA 0.614 5.084 4.470 -0.000 0.000 0.309 334 S C -0.381 174.224 174.600 0.009 0.000 1.076 334 S CA -0.379 57.806 58.200 -0.026 0.000 1.095 334 S CB -0.286 62.965 63.200 0.085 0.000 0.972 334 S HN 1.556 nan 8.310 nan 0.000 0.484 335 V N 3.649 123.555 119.914 -0.014 0.000 2.914 335 V HA 0.986 5.105 4.120 -0.000 0.000 0.314 335 V C -0.527 175.585 176.094 0.030 0.000 1.084 335 V CA -0.142 62.165 62.300 0.012 0.000 0.963 335 V CB 2.044 33.864 31.823 -0.005 0.000 1.025 335 V HN 0.853 nan 8.190 nan 0.000 0.432 336 S N 1.974 117.703 115.700 0.048 0.000 2.615 336 S HA 0.510 4.980 4.470 -0.000 0.000 0.268 336 S C 0.311 174.953 174.600 0.071 0.000 1.146 336 S CA 0.213 58.456 58.200 0.070 0.000 0.818 336 S CB 1.689 64.961 63.200 0.121 0.000 1.111 336 S HN 1.505 nan 8.310 nan 0.000 0.465 337 T N 0.245 114.855 114.554 0.095 0.000 3.040 337 T HA 0.372 4.722 4.350 -0.000 0.000 0.250 337 T C 0.773 175.539 174.700 0.110 0.000 1.058 337 T CA 0.202 62.358 62.100 0.092 0.000 0.988 337 T CB -0.781 68.142 68.868 0.093 0.000 0.993 337 T HN 0.699 nan 8.240 nan 0.000 0.519 338 I N -0.976 119.674 120.570 0.135 0.000 2.797 338 I HA 0.720 4.890 4.170 -0.000 0.000 0.307 338 I C -2.959 173.217 176.117 0.099 0.000 1.033 338 I CA -3.271 58.096 61.300 0.112 0.000 1.071 338 I CB 1.979 40.051 38.000 0.120 0.000 1.255 338 I HN -0.298 nan 8.210 nan 0.000 0.445 339 P HA 0.491 nan 4.420 nan 0.000 0.278 339 P C -0.218 177.132 177.300 0.085 0.000 1.238 339 P CA 0.200 63.344 63.100 0.074 0.000 0.794 339 P CB 1.303 33.036 31.700 0.056 0.000 0.955 340 G N 1.208 110.061 108.800 0.089 0.000 2.312 340 G HA2 0.083 4.043 3.960 -0.000 0.000 0.347 340 G HA3 0.083 4.043 3.960 -0.000 0.000 0.347 340 G C -1.733 173.240 174.900 0.122 0.000 1.564 340 G CA -0.791 44.367 45.100 0.096 0.000 0.981 340 G HN 0.411 nan 8.290 nan 0.000 0.678 341 D N -0.339 120.131 120.400 0.115 0.000 2.312 341 D HA 0.532 5.172 4.640 -0.000 0.000 0.248 341 D C -0.109 176.320 176.300 0.215 0.000 1.086 341 D CA -0.069 54.024 54.000 0.156 0.000 0.948 341 D CB 1.237 42.099 40.800 0.103 0.000 1.162 341 D HN 0.281 nan 8.370 nan 0.000 0.446 342 F N 1.454 121.498 119.950 0.156 0.000 2.424 342 F HA 0.354 4.881 4.527 -0.000 0.000 0.356 342 F C -0.778 175.161 175.800 0.232 0.000 1.110 342 F CA -0.460 57.650 58.000 0.183 0.000 1.161 342 F CB 0.508 39.633 39.000 0.208 0.000 1.115 342 F HN -0.069 nan 8.300 nan 0.000 0.507 343 V N 8.181 127.844 119.914 -0.418 0.000 2.588 343 V HA 0.490 4.610 4.120 -0.000 0.000 0.304 343 V C -0.084 175.771 176.094 -0.398 0.000 1.042 343 V CA -0.797 61.336 62.300 -0.278 0.000 0.877 343 V CB 1.534 33.278 31.823 -0.132 0.000 0.996 343 V HN 0.717 nan 8.190 nan 0.000 0.425 344 I N 1.194 121.657 120.570 -0.178 0.000 2.785 344 I HA 1.025 5.195 4.170 -0.000 0.000 0.302 344 I C 0.150 176.275 176.117 0.013 0.000 1.069 344 I CA -0.781 60.472 61.300 -0.078 0.000 1.045 344 I CB 2.504 40.573 38.000 0.115 0.000 1.236 344 I HN 0.649 nan 8.210 nan 0.000 0.429 345 G N 3.395 112.212 108.800 0.027 0.000 2.461 345 G HA2 0.617 4.577 3.960 -0.000 0.000 0.323 345 G HA3 0.617 4.577 3.960 -0.000 0.000 0.323 345 G C -1.144 173.613 174.900 -0.240 0.000 1.229 345 G CA -0.605 44.440 45.100 -0.092 0.000 0.941 345 G HN 0.483 nan 8.290 nan 0.000 0.477 346 V N 1.934 121.532 119.914 -0.527 0.000 2.459 346 V HA 0.581 4.701 4.120 -0.000 0.000 0.295 346 V C -0.002 175.853 176.094 -0.398 0.000 1.029 346 V CA -0.829 61.300 62.300 -0.285 0.000 0.874 346 V CB 1.691 33.429 31.823 -0.142 0.000 0.985 346 V HN 0.756 nan 8.190 nan 0.000 0.438 347 K N 4.654 125.031 120.400 -0.038 0.000 2.507 347 K HA 0.515 4.835 4.320 -0.000 0.000 0.252 347 K C -1.250 175.451 176.600 0.168 0.000 0.943 347 K CA -0.707 55.633 56.287 0.089 0.000 0.808 347 K CB 1.909 34.535 32.500 0.210 0.000 1.142 347 K HN 0.681 nan 8.250 nan 0.000 0.426 348 L N 5.066 126.374 121.223 0.142 0.000 2.342 348 L HA 0.090 4.430 4.340 -0.000 0.000 0.285 348 L C 0.910 177.759 176.870 -0.034 0.000 1.095 348 L CA 0.159 54.952 54.840 -0.078 0.000 0.843 348 L CB 0.946 42.968 42.059 -0.061 0.000 1.201 348 L HN 0.900 nan 8.230 nan 0.000 0.445 349 T N 5.590 120.108 114.554 -0.060 0.000 2.643 349 T HA 0.114 4.464 4.350 -0.000 0.000 0.256 349 T C 0.569 175.263 174.700 -0.010 0.000 1.061 349 T CA 1.268 63.362 62.100 -0.009 0.000 1.163 349 T CB 0.121 68.995 68.868 0.011 0.000 0.865 349 T HN 0.615 nan 8.240 nan 0.000 0.407 350 I N -1.913 118.649 120.570 -0.013 0.000 3.074 350 I HA 0.604 4.774 4.170 -0.000 0.000 0.310 350 I C -1.548 174.616 176.117 0.078 0.000 1.153 350 I CA -1.477 59.845 61.300 0.035 0.000 0.993 350 I CB 2.564 40.580 38.000 0.027 0.000 1.237 350 I HN -0.041 nan 8.210 nan 0.000 0.443 351 I N 2.593 123.270 120.570 0.179 0.000 2.410 351 I HA 0.396 4.566 4.170 -0.000 0.000 0.286 351 I C -0.470 175.754 176.117 0.178 0.000 1.009 351 I CA -0.367 61.057 61.300 0.206 0.000 1.111 351 I CB 1.781 39.961 38.000 0.301 0.000 1.262 351 I HN 0.640 nan 8.210 nan 0.000 0.443 352 E N 4.721 125.002 120.200 0.134 0.000 2.222 352 E HA 0.358 4.708 4.350 -0.000 0.000 0.272 352 E C -0.417 176.236 176.600 0.089 0.000 0.982 352 E CA -0.777 55.683 56.400 0.101 0.000 0.842 352 E CB 0.984 30.732 29.700 0.080 0.000 1.144 352 E HN 0.537 nan 8.360 nan 0.000 0.397 353 N N 0.877 119.611 118.700 0.057 0.000 2.716 353 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 353 N C -0.259 175.261 175.510 0.017 0.000 1.033 353 N CA 0.264 53.333 53.050 0.032 0.000 0.727 353 N CB -0.976 37.538 38.487 0.044 0.000 0.950 353 N HN 0.526 nan 8.380 nan 0.000 0.541 354 M N 0.155 119.758 119.600 0.005 0.000 2.232 354 M HA 0.263 4.743 4.480 -0.000 0.000 0.321 354 M C -0.120 176.092 176.300 -0.146 0.000 1.101 354 M CA 0.264 55.541 55.300 -0.039 0.000 1.181 354 M CB 0.670 33.239 32.600 -0.051 0.000 1.432 354 M HN 0.393 nan 8.290 nan 0.000 0.457 355 C N 4.041 123.217 119.300 -0.207 0.000 2.607 355 C HA 0.840 5.300 4.460 -0.000 0.000 0.350 355 C C -0.790 173.916 174.990 -0.473 0.000 1.101 355 C CA -0.305 58.504 59.018 -0.348 0.000 1.282 355 C CB 0.304 27.887 27.740 -0.262 0.000 1.825 355 C HN 0.964 nan 8.230 nan 0.000 0.460 356 A N 4.862 127.292 122.820 -0.650 0.000 2.374 356 A HA 0.911 5.231 4.320 -0.000 0.000 0.317 356 A C -1.802 175.414 177.584 -0.614 0.000 1.094 356 A CA -0.384 51.321 52.037 -0.553 0.000 0.765 356 A CB 0.946 19.503 19.000 -0.739 0.000 1.268 356 A HN 0.878 nan 8.150 nan 0.000 0.438 357 Y N 0.621 120.930 120.300 0.015 0.000 2.425 357 Y HA 0.584 5.134 4.550 -0.000 0.000 0.344 357 Y C 0.918 176.906 175.900 0.146 0.000 0.969 357 Y CA 0.126 58.270 58.100 0.074 0.000 1.052 357 Y CB 2.060 40.596 38.460 0.128 0.000 1.215 357 Y HN 1.568 nan 8.280 nan 0.000 0.451 358 G N 1.744 110.693 108.800 0.248 0.000 2.916 358 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.533 358 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.533 358 G C -1.756 173.238 174.900 0.156 0.000 1.516 358 G CA -0.996 44.217 45.100 0.188 0.000 0.944 358 G HN 0.449 nan 8.290 nan 0.000 0.555 359 L N 1.011 122.301 121.223 0.112 0.000 2.322 359 L HA 0.501 4.841 4.340 -0.000 0.000 0.279 359 L C 0.820 177.711 176.870 0.036 0.000 1.036 359 L CA -0.909 53.987 54.840 0.093 0.000 0.807 359 L CB 1.655 43.758 42.059 0.074 0.000 1.226 359 L HN 0.784 nan 8.230 nan 0.000 0.433 360 N N 3.196 121.898 118.700 0.004 0.000 2.426 360 N HA 0.276 5.016 4.740 -0.000 0.000 0.257 360 N C -1.795 173.692 175.510 -0.038 0.000 1.002 360 N CA -1.204 51.820 53.050 -0.042 0.000 0.942 360 N CB 1.715 40.156 38.487 -0.077 0.000 1.112 360 N HN 0.392 nan 8.380 nan 0.000 0.499 361 P HA 0.122 nan 4.420 nan 0.000 0.219 361 P C -0.125 177.155 177.300 -0.033 0.000 1.150 361 P CA 0.543 63.629 63.100 -0.023 0.000 0.814 361 P CB 0.066 31.757 31.700 -0.015 0.000 0.787 362 G N -0.731 108.044 108.800 -0.042 0.000 2.674 362 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.686 362 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.686 362 G C -1.103 173.776 174.900 -0.035 0.000 1.195 362 G CA -0.928 44.145 45.100 -0.046 0.000 0.776 362 G HN 0.107 nan 8.290 nan 0.000 0.654 363 I N 0.739 121.288 120.570 -0.035 0.000 2.569 363 I HA 0.513 4.683 4.170 -0.000 0.000 0.296 363 I C 0.751 176.853 176.117 -0.026 0.000 1.028 363 I CA -0.915 60.371 61.300 -0.024 0.000 1.082 363 I CB 2.144 40.133 38.000 -0.018 0.000 1.264 363 I HN 0.640 nan 8.210 nan 0.000 0.429 364 S N 3.954 119.642 115.700 -0.020 0.000 2.528 364 S HA 0.604 5.074 4.470 -0.000 0.000 0.277 364 S C 0.232 174.819 174.600 -0.022 0.000 1.297 364 S CA 0.655 58.842 58.200 -0.021 0.000 1.052 364 S CB 0.236 63.425 63.200 -0.017 0.000 0.917 364 S HN 1.081 nan 8.310 nan 0.000 0.492 365 G N 2.795 111.579 108.800 -0.028 0.000 2.782 365 G HA2 0.085 4.045 3.960 -0.000 0.000 0.228 365 G HA3 0.085 4.045 3.960 -0.000 0.000 0.228 365 G C -0.297 174.581 174.900 -0.037 0.000 1.372 365 G CA -0.122 44.959 45.100 -0.032 0.000 0.862 365 G HN 2.106 nan 8.290 nan 0.000 0.547 366 S N -1.181 114.494 115.700 -0.043 0.000 2.578 366 S HA 0.677 5.147 4.470 -0.000 0.000 0.272 366 S C -0.196 174.372 174.600 -0.054 0.000 1.145 366 S CA -0.104 58.066 58.200 -0.050 0.000 0.835 366 S CB 1.317 64.477 63.200 -0.067 0.000 1.104 366 S HN 1.091 nan 8.310 nan 0.000 0.458 367 R N 1.251 121.722 120.500 -0.049 0.000 2.643 367 R HA 0.351 4.691 4.340 -0.000 0.000 0.270 367 R C -0.287 175.973 176.300 -0.067 0.000 1.061 367 R CA -0.273 55.800 56.100 -0.046 0.000 1.107 367 R CB 0.069 30.350 30.300 -0.032 0.000 0.999 367 R HN 0.590 nan 8.270 nan 0.000 0.460 368 L N 2.925 124.114 121.223 -0.056 0.000 2.416 368 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 368 L C 0.312 177.148 176.870 -0.057 0.000 1.161 368 L CA -0.441 54.362 54.840 -0.062 0.000 0.845 368 L CB 0.189 42.222 42.059 -0.043 0.000 1.119 368 L HN 0.252 nan 8.230 nan 0.000 0.464 369 L N 1.786 122.974 121.223 -0.058 0.000 2.479 369 L HA 0.440 4.780 4.340 -0.000 0.000 0.249 369 L C 0.952 177.820 176.870 -0.002 0.000 1.178 369 L CA 0.370 55.194 54.840 -0.026 0.000 0.811 369 L CB 0.608 42.682 42.059 0.025 0.000 1.187 369 L HN 0.627 nan 8.230 nan 0.000 0.480 370 G N 0.000 108.798 108.800 -0.003 0.000 5.446 370 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 370 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 370 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925