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 2g70_1_A DATA FIRST_RESID 20 DATA SEQUENCE QAAVASAYQR FEPRAYLRNN YAPPRGDLCN PNGVGPWKLR CLAQTFATGE DATA SEQUENCE VSGRTLIDIG SGPTVYQLLS ACSHFEDITM TDFLEVNRQE LGRWLQEEPG DATA SEQUENCE AFNWSMYSQH ACLIEGKGEC WQDKERQLRA RVKRVLPIDV HQPQPLGAGS DATA SEQUENCE PAPLPADALV SAFCLEAVSP DLASFQRALD HITTLLRPGG HLLLIGALEE DATA SEQUENCE SWYLAGEARL TVVPVSEEEV REALVRSGYK VRDLRTYIMP AHLQTGVDDV DATA SEQUENCE KGVFFAWAQK V 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 20 Q HA 0.000 nan 4.340 nan 0.000 0.214 20 Q C 0.000 175.973 176.000 -0.045 0.000 1.003 20 Q CA 0.000 55.721 55.803 -0.136 0.000 1.022 20 Q CB 0.000 28.552 28.738 -0.309 0.000 1.108 21 A N 1.889 124.698 122.820 -0.019 0.000 1.865 21 A HA 0.057 4.378 4.320 0.001 0.000 0.217 21 A C 2.312 179.913 177.584 0.029 0.000 1.191 21 A CA 2.646 54.692 52.037 0.014 0.000 0.623 21 A CB -0.741 18.267 19.000 0.014 0.000 0.826 21 A HN 0.467 nan 8.150 nan 0.000 0.444 22 A N -0.578 122.253 122.820 0.019 0.000 1.883 22 A HA -0.028 4.293 4.320 0.001 0.000 0.217 22 A C 2.254 179.863 177.584 0.041 0.000 1.186 22 A CA 1.998 54.049 52.037 0.023 0.000 0.624 22 A CB -1.135 17.872 19.000 0.012 0.000 0.822 22 A HN 0.431 nan 8.150 nan 0.000 0.444 23 V N -0.079 119.866 119.914 0.052 0.000 2.214 23 V HA -0.310 3.810 4.120 0.001 0.000 0.247 23 V C 3.056 179.260 176.094 0.183 0.000 1.051 23 V CA 2.287 64.657 62.300 0.116 0.000 1.003 23 V CB -1.491 30.405 31.823 0.122 0.000 0.635 23 V HN 0.633 nan 8.190 nan 0.000 0.447 24 A N -0.871 122.014 122.820 0.108 0.000 2.032 24 A HA -0.265 4.055 4.320 0.001 0.000 0.221 24 A C 2.496 180.204 177.584 0.208 0.000 1.165 24 A CA 2.336 54.449 52.037 0.126 0.000 0.645 24 A CB -0.716 18.338 19.000 0.089 0.000 0.807 24 A HN 0.511 nan 8.150 nan 0.000 0.453 25 S N -1.129 114.654 115.700 0.138 0.000 2.436 25 S HA 0.154 4.624 4.470 0.001 0.000 0.228 25 S C 2.020 176.676 174.600 0.092 0.000 1.014 25 S CA 1.158 59.424 58.200 0.111 0.000 0.950 25 S CB -0.317 62.924 63.200 0.068 0.000 0.784 25 S HN 0.763 nan 8.310 nan 0.000 0.504 26 A N -0.213 122.645 122.820 0.062 0.000 1.930 26 A HA 0.142 4.463 4.320 0.001 0.000 0.215 26 A C 1.633 179.204 177.584 -0.022 0.000 1.176 26 A CA 0.797 52.814 52.037 -0.033 0.000 0.632 26 A CB -0.899 18.012 19.000 -0.148 0.000 0.819 26 A HN 0.639 nan 8.150 nan 0.000 0.445 27 Y N -0.266 120.101 120.300 0.111 0.000 2.680 27 Y HA -0.105 4.445 4.550 0.001 0.000 0.303 27 Y C 2.391 178.411 175.900 0.200 0.000 1.166 27 Y CA 1.118 59.320 58.100 0.170 0.000 1.344 27 Y CB -0.079 38.434 38.460 0.088 0.000 1.002 27 Y HN 0.333 nan 8.280 nan 0.000 0.537 28 Q N 0.206 120.163 119.800 0.261 0.000 2.369 28 Q HA -0.042 4.299 4.340 0.001 0.000 0.206 28 Q C 1.470 177.578 176.000 0.179 0.000 0.963 28 Q CA 1.194 57.121 55.803 0.207 0.000 0.894 28 Q CB 0.075 28.902 28.738 0.149 0.000 0.965 28 Q HN 0.376 nan 8.270 nan 0.000 0.475 29 R N -1.718 118.881 120.500 0.164 0.000 2.334 29 R HA 0.148 4.489 4.340 0.001 0.000 0.212 29 R C -0.233 176.164 176.300 0.160 0.000 0.897 29 R CA -0.387 55.786 56.100 0.122 0.000 1.056 29 R CB 0.215 30.548 30.300 0.055 0.000 1.046 29 R HN 0.111 nan 8.270 nan 0.000 0.513 30 F N 3.349 123.350 119.950 0.085 0.000 2.593 30 F HA -0.101 4.427 4.527 0.001 0.000 0.393 30 F C 0.034 175.910 175.800 0.126 0.000 1.037 30 F CA 0.590 58.664 58.000 0.123 0.000 1.195 30 F CB 0.401 39.548 39.000 0.245 0.000 1.034 30 F HN -0.049 nan 8.300 nan 0.000 0.552 31 E N 8.350 128.426 120.200 -0.207 0.000 2.129 31 E HA 0.166 4.517 4.350 0.001 0.000 0.268 31 E C -1.958 174.574 176.600 -0.113 0.000 0.900 31 E CA -1.767 54.601 56.400 -0.053 0.000 0.755 31 E CB 1.519 31.191 29.700 -0.047 0.000 1.117 31 E HN 0.446 nan 8.360 nan 0.000 0.410 32 P HA -0.206 nan 4.420 nan 0.000 0.212 32 P C 1.059 178.431 177.300 0.121 0.000 1.178 32 P CA 1.229 64.465 63.100 0.227 0.000 0.915 32 P CB 0.240 32.086 31.700 0.243 0.000 0.788 33 R N -0.590 119.959 120.500 0.081 0.000 2.133 33 R HA -0.170 4.170 4.340 0.001 0.000 0.247 33 R C 2.208 178.518 176.300 0.017 0.000 1.151 33 R CA 1.771 57.901 56.100 0.050 0.000 0.971 33 R CB -1.155 29.183 30.300 0.063 0.000 0.866 33 R HN 0.197 nan 8.270 nan 0.000 0.447 34 A N 0.160 122.980 122.820 -0.001 0.000 1.897 34 A HA -0.182 4.139 4.320 0.001 0.000 0.215 34 A C 1.960 179.526 177.584 -0.029 0.000 1.181 34 A CA 0.912 52.934 52.037 -0.024 0.000 0.620 34 A CB -0.636 18.337 19.000 -0.046 0.000 0.821 34 A HN 0.435 nan 8.150 nan 0.000 0.443 35 Y N 0.724 120.930 120.300 -0.157 0.000 2.181 35 Y HA -0.183 4.368 4.550 0.001 0.000 0.288 35 Y C 1.918 177.800 175.900 -0.029 0.000 1.146 35 Y CA 1.925 59.963 58.100 -0.104 0.000 1.164 35 Y CB -0.282 38.126 38.460 -0.088 0.000 0.982 35 Y HN 0.220 nan 8.280 nan 0.000 0.515 36 L N -0.087 121.122 121.223 -0.024 0.000 2.046 36 L HA -0.213 4.128 4.340 0.001 0.000 0.208 36 L C 2.699 179.452 176.870 -0.196 0.000 1.077 36 L CA 1.850 56.542 54.840 -0.246 0.000 0.747 36 L CB -0.585 41.107 42.059 -0.612 0.000 0.896 36 L HN 0.130 nan 8.230 nan 0.000 0.432 37 R N 0.182 120.619 120.500 -0.105 0.000 2.115 37 R HA -0.136 4.204 4.340 0.001 0.000 0.230 37 R C 1.890 178.130 176.300 -0.100 0.000 1.111 37 R CA 1.401 57.475 56.100 -0.043 0.000 0.976 37 R CB -0.019 30.274 30.300 -0.013 0.000 0.870 37 R HN 0.351 nan 8.270 nan 0.000 0.445 38 N N 0.079 118.676 118.700 -0.172 0.000 2.376 38 N HA -0.034 4.706 4.740 0.001 0.000 0.177 38 N C 0.491 175.794 175.510 -0.346 0.000 1.024 38 N CA 0.888 53.807 53.050 -0.218 0.000 0.893 38 N CB 0.148 38.515 38.487 -0.200 0.000 0.980 38 N HN 0.317 nan 8.380 nan 0.000 0.439 39 N N -1.148 117.253 118.700 -0.499 0.000 2.193 39 N HA 0.095 4.836 4.740 0.001 0.000 0.210 39 N C -0.240 174.673 175.510 -0.995 0.000 1.215 39 N CA 0.179 52.748 53.050 -0.801 0.000 0.901 39 N CB 0.683 38.480 38.487 -1.151 0.000 1.060 39 N HN 0.236 nan 8.380 nan 0.000 0.508 40 Y N 0.335 120.498 120.300 -0.228 0.000 2.738 40 Y HA 0.547 5.098 4.550 0.001 0.000 0.249 40 Y C 0.441 176.395 175.900 0.090 0.000 1.157 40 Y CA -0.570 57.485 58.100 -0.075 0.000 1.189 40 Y CB 0.786 39.072 38.460 -0.290 0.000 1.262 40 Y HN -0.090 nan 8.280 nan 0.000 0.554 41 A N 0.085 122.956 122.820 0.086 0.000 2.387 41 A HA 0.809 5.129 4.320 0.001 0.000 0.303 41 A C -2.852 174.733 177.584 0.002 0.000 1.145 41 A CA -2.195 49.891 52.037 0.081 0.000 0.801 41 A CB 0.909 19.945 19.000 0.059 0.000 1.342 41 A HN -0.113 nan 8.150 nan 0.000 0.440 42 P HA 0.130 nan 4.420 nan 0.000 0.267 42 P C -1.625 175.652 177.300 -0.038 0.000 1.200 42 P CA -0.621 62.461 63.100 -0.030 0.000 0.772 42 P CB 0.357 32.041 31.700 -0.027 0.000 0.855 43 P HA 0.015 nan 4.420 nan 0.000 0.221 43 P C 1.087 178.355 177.300 -0.054 0.000 1.155 43 P CA 1.160 64.248 63.100 -0.021 0.000 0.812 43 P CB 0.319 32.035 31.700 0.028 0.000 0.801 44 R N -0.027 120.408 120.500 -0.109 0.000 2.159 44 R HA -0.026 4.314 4.340 0.001 0.000 0.237 44 R C 2.153 178.379 176.300 -0.123 0.000 1.131 44 R CA 1.403 57.405 56.100 -0.164 0.000 0.982 44 R CB -0.844 29.293 30.300 -0.272 0.000 0.868 44 R HN 0.244 nan 8.270 nan 0.000 0.453 45 G N 0.504 109.269 108.800 -0.058 0.000 3.371 45 G HA2 -0.069 3.892 3.960 0.001 0.000 0.248 45 G HA3 -0.069 3.892 3.960 0.001 0.000 0.248 45 G C -0.714 174.142 174.900 -0.074 0.000 1.161 45 G CA -0.377 44.755 45.100 0.053 0.000 0.796 45 G HN 0.153 nan 8.290 nan 0.000 0.539 46 D N -0.094 120.240 120.400 -0.111 0.000 2.232 46 D HA 0.388 5.028 4.640 0.001 0.000 0.242 46 D C 0.923 177.095 176.300 -0.213 0.000 1.093 46 D CA -0.551 53.367 54.000 -0.136 0.000 0.845 46 D CB 1.412 42.166 40.800 -0.076 0.000 1.124 46 D HN -0.090 nan 8.370 nan 0.000 0.467 47 L N 3.112 124.170 121.223 -0.274 0.000 2.693 47 L HA 0.206 4.547 4.340 0.001 0.000 0.235 47 L C 1.621 178.350 176.870 -0.235 0.000 1.127 47 L CA -0.051 54.565 54.840 -0.374 0.000 0.914 47 L CB 0.263 41.993 42.059 -0.548 0.000 1.193 47 L HN 0.599 nan 8.230 nan 0.000 0.502 48 C N -0.262 118.961 119.300 -0.128 0.000 2.450 48 C HA -0.001 4.460 4.460 0.001 0.000 0.279 48 C C 1.442 176.410 174.990 -0.036 0.000 1.335 48 C CA -0.010 58.973 59.018 -0.058 0.000 1.749 48 C CB -1.006 26.706 27.740 -0.047 0.000 1.963 48 C HN 0.578 nan 8.230 nan 0.000 0.501 49 N N 0.909 119.580 118.700 -0.047 0.000 2.411 49 N HA 0.165 4.905 4.740 0.001 0.000 0.259 49 N C -1.708 173.802 175.510 -0.000 0.000 1.103 49 N CA -1.491 51.551 53.050 -0.012 0.000 0.954 49 N CB 1.012 39.501 38.487 0.002 0.000 1.085 49 N HN 0.053 nan 8.380 nan 0.000 0.485 50 P HA -0.058 nan 4.420 nan 0.000 0.218 50 P C 0.164 177.528 177.300 0.107 0.000 1.149 50 P CA 1.010 64.154 63.100 0.074 0.000 0.817 50 P CB 0.268 32.017 31.700 0.082 0.000 0.785 51 N N -0.720 118.049 118.700 0.116 0.000 2.398 51 N HA 0.039 4.779 4.740 0.001 0.000 0.188 51 N C 1.131 176.786 175.510 0.241 0.000 1.122 51 N CA 0.354 53.517 53.050 0.188 0.000 0.866 51 N CB -0.269 38.309 38.487 0.152 0.000 0.970 51 N HN 0.108 nan 8.380 nan 0.000 0.462 52 G N 0.089 108.964 108.800 0.124 0.000 2.594 52 G HA2 0.124 4.084 3.960 0.001 0.000 0.243 52 G HA3 0.124 4.084 3.960 0.001 0.000 0.243 52 G C 1.181 176.013 174.900 -0.114 0.000 1.229 52 G CA -0.482 44.650 45.100 0.054 0.000 0.843 52 G HN 0.072 nan 8.290 nan 0.000 0.578 53 V N 2.200 121.925 119.914 -0.314 0.000 2.515 53 V HA -0.021 4.099 4.120 0.001 0.000 0.250 53 V C 2.505 178.436 176.094 -0.270 0.000 1.058 53 V CA 2.881 64.751 62.300 -0.717 0.000 1.064 53 V CB -0.745 30.715 31.823 -0.604 0.000 0.675 53 V HN 0.829 nan 8.190 nan 0.000 0.461 54 G N -0.033 108.662 108.800 -0.175 0.000 2.414 54 G HA2 -0.130 3.831 3.960 0.001 0.000 0.215 54 G HA3 -0.130 3.831 3.960 0.001 0.000 0.215 54 G C -0.191 174.650 174.900 -0.099 0.000 1.188 54 G CA 1.003 46.049 45.100 -0.090 0.000 0.783 54 G HN 0.525 nan 8.290 nan 0.000 0.537 55 P HA -0.138 nan 4.420 nan 0.000 0.215 55 P C 1.270 178.603 177.300 0.055 0.000 1.153 55 P CA 1.019 64.032 63.100 -0.146 0.000 0.853 55 P CB -0.073 31.528 31.700 -0.164 0.000 0.788 56 W N 1.197 122.412 121.300 -0.141 0.000 2.335 56 W HA -0.169 4.491 4.660 0.001 0.000 0.311 56 W C 2.104 178.550 176.519 -0.122 0.000 1.213 56 W CA 1.770 59.041 57.345 -0.122 0.000 1.274 56 W CB -0.542 28.771 29.460 -0.245 0.000 1.148 56 W HN -0.198 nan 8.180 nan 0.000 0.498 57 K N -0.176 120.245 120.400 0.036 0.000 2.026 57 K HA -0.190 4.131 4.320 0.001 0.000 0.208 57 K C 2.069 178.574 176.600 -0.159 0.000 1.048 57 K CA 1.963 58.191 56.287 -0.097 0.000 0.929 57 K CB -0.759 31.854 32.500 0.188 0.000 0.713 57 K HN 0.247 nan 8.250 nan 0.000 0.439 58 L N 0.492 121.719 121.223 0.007 0.000 2.083 58 L HA -0.193 4.148 4.340 0.001 0.000 0.209 58 L C 2.545 179.362 176.870 -0.088 0.000 1.083 58 L CA 1.206 56.076 54.840 0.049 0.000 0.752 58 L CB -0.381 41.807 42.059 0.216 0.000 0.899 58 L HN 0.177 nan 8.230 nan 0.000 0.433 59 R N -0.942 119.472 120.500 -0.143 0.000 2.096 59 R HA -0.162 4.179 4.340 0.001 0.000 0.235 59 R C 2.433 178.491 176.300 -0.404 0.000 1.127 59 R CA 1.644 57.617 56.100 -0.212 0.000 0.968 59 R CB -0.608 29.577 30.300 -0.191 0.000 0.861 59 R HN 0.427 nan 8.270 nan 0.000 0.440 60 C N 0.577 119.462 119.300 -0.691 0.000 2.436 60 C HA -0.079 4.381 4.460 0.001 0.000 0.277 60 C C 2.636 177.070 174.990 -0.926 0.000 1.241 60 C CA 0.668 59.018 59.018 -1.113 0.000 1.721 60 C CB -0.859 25.776 27.740 -1.841 0.000 2.043 60 C HN 0.428 nan 8.230 nan 0.000 0.472 61 L N 0.869 121.753 121.223 -0.566 0.000 2.027 61 L HA -0.106 4.234 4.340 0.001 0.000 0.206 61 L C 2.906 179.768 176.870 -0.014 0.000 1.074 61 L CA 1.566 56.303 54.840 -0.172 0.000 0.745 61 L CB -0.960 41.106 42.059 0.012 0.000 0.898 61 L HN 0.333 nan 8.230 nan 0.000 0.433 62 A N -0.154 122.617 122.820 -0.082 0.000 1.859 62 A HA -0.303 4.018 4.320 0.001 0.000 0.217 62 A C 2.233 179.768 177.584 -0.082 0.000 1.198 62 A CA 1.984 53.995 52.037 -0.044 0.000 0.629 62 A CB -0.737 18.223 19.000 -0.067 0.000 0.830 62 A HN 0.463 nan 8.150 nan 0.000 0.446 63 Q N -1.144 118.553 119.800 -0.171 0.000 2.045 63 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 63 Q C 2.326 178.174 176.000 -0.252 0.000 0.991 63 Q CA 2.250 57.944 55.803 -0.182 0.000 0.851 63 Q CB -0.545 28.070 28.738 -0.205 0.000 0.911 63 Q HN 0.720 nan 8.270 nan 0.000 0.418 64 T N 0.618 114.938 114.554 -0.391 0.000 2.622 64 T HA -0.176 4.174 4.350 0.001 0.000 0.266 64 T C 1.466 175.747 174.700 -0.699 0.000 1.047 64 T CA 1.572 63.251 62.100 -0.702 0.000 1.159 64 T CB -0.506 67.846 68.868 -0.860 0.000 0.863 64 T HN 0.206 nan 8.240 nan 0.000 0.422 65 F N 1.553 121.230 119.950 -0.455 0.000 2.250 65 F HA -0.009 4.518 4.527 0.001 0.000 0.301 65 F C 2.592 178.223 175.800 -0.282 0.000 1.077 65 F CA 0.626 58.346 58.000 -0.467 0.000 1.348 65 F CB -0.595 38.036 39.000 -0.615 0.000 1.040 65 F HN 0.138 nan 8.300 nan 0.000 0.509 66 A N -0.046 122.747 122.820 -0.045 0.000 2.076 66 A HA -0.216 4.104 4.320 0.001 0.000 0.220 66 A C 2.246 179.825 177.584 -0.007 0.000 1.160 66 A CA 1.990 54.030 52.037 0.005 0.000 0.653 66 A CB -1.369 17.617 19.000 -0.024 0.000 0.801 66 A HN 0.436 nan 8.150 nan 0.000 0.455 67 T N -3.968 110.535 114.554 -0.085 0.000 3.035 67 T HA 0.269 4.619 4.350 0.001 0.000 0.268 67 T C 1.655 176.364 174.700 0.015 0.000 1.109 67 T CA 1.243 63.320 62.100 -0.039 0.000 1.119 67 T CB -0.527 68.300 68.868 -0.069 0.000 0.900 67 T HN 1.682 nan 8.240 nan 0.000 0.503 68 G N 1.364 110.183 108.800 0.031 0.000 2.196 68 G HA2 -0.344 3.616 3.960 0.001 0.000 0.268 68 G HA3 -0.344 3.616 3.960 0.001 0.000 0.268 68 G C 0.387 175.341 174.900 0.089 0.000 0.975 68 G CA 0.562 45.731 45.100 0.115 0.000 0.648 68 G HN 0.670 nan 8.290 nan 0.000 0.538 69 E N -0.199 120.025 120.200 0.039 0.000 2.368 69 E HA 0.383 4.734 4.350 0.001 0.000 0.188 69 E C -0.211 176.395 176.600 0.011 0.000 1.061 69 E CA 0.010 56.467 56.400 0.094 0.000 0.933 69 E CB 0.112 29.929 29.700 0.195 0.000 1.091 69 E HN 0.252 nan 8.360 nan 0.000 0.458 70 V N 1.684 121.566 119.914 -0.052 0.000 2.439 70 V HA 0.236 4.357 4.120 0.001 0.000 0.277 70 V C -0.717 175.536 176.094 0.265 0.000 1.008 70 V CA -0.606 61.648 62.300 -0.077 0.000 0.846 70 V CB 1.300 32.840 31.823 -0.471 0.000 1.031 70 V HN 0.267 nan 8.190 nan 0.000 0.441 71 S N 2.390 118.260 115.700 0.284 0.000 2.579 71 S HA 1.040 5.510 4.470 0.001 0.000 0.272 71 S C -0.263 174.235 174.600 -0.170 0.000 1.141 71 S CA -0.182 58.017 58.200 -0.003 0.000 0.843 71 S CB 2.693 65.898 63.200 0.009 0.000 1.122 71 S HN 1.485 nan 8.310 nan 0.000 0.468 72 G N 0.479 108.861 108.800 -0.696 0.000 2.323 72 G HA2 0.386 4.346 3.960 0.001 0.000 0.291 72 G HA3 0.386 4.346 3.960 0.001 0.000 0.291 72 G C -0.478 174.196 174.900 -0.377 0.000 1.278 72 G CA -0.704 44.181 45.100 -0.358 0.000 0.860 72 G HN 0.659 nan 8.290 nan 0.000 0.504 73 R N -0.876 119.607 120.500 -0.028 0.000 2.039 73 R HA 0.286 4.626 4.340 0.001 0.000 0.218 73 R C 1.459 177.884 176.300 0.208 0.000 1.220 73 R CA 1.432 57.560 56.100 0.047 0.000 0.993 73 R CB -0.305 30.029 30.300 0.057 0.000 0.881 73 R HN 0.687 nan 8.270 nan 0.000 0.450 74 T N -0.954 113.764 114.554 0.273 0.000 2.925 74 T HA 0.590 4.940 4.350 0.001 0.000 0.285 74 T C -0.518 174.369 174.700 0.311 0.000 1.021 74 T CA -0.751 61.505 62.100 0.260 0.000 1.042 74 T CB 1.674 70.623 68.868 0.135 0.000 1.037 74 T HN 0.096 nan 8.240 nan 0.000 0.481 75 L N 2.505 123.805 121.223 0.130 0.000 2.455 75 L HA 0.744 5.084 4.340 0.001 0.000 0.264 75 L C -1.730 175.096 176.870 -0.073 0.000 0.968 75 L CA -1.045 53.732 54.840 -0.105 0.000 0.827 75 L CB 1.709 43.497 42.059 -0.451 0.000 1.317 75 L HN 0.796 nan 8.230 nan 0.000 0.407 76 I N 3.038 123.557 120.570 -0.085 0.000 2.465 76 I HA 0.332 4.502 4.170 0.001 0.000 0.291 76 I C -1.211 174.854 176.117 -0.086 0.000 1.014 76 I CA -0.522 60.741 61.300 -0.062 0.000 1.093 76 I CB 1.993 39.973 38.000 -0.032 0.000 1.267 76 I HN 0.554 nan 8.210 nan 0.000 0.431 77 D N 6.680 127.028 120.400 -0.087 0.000 2.373 77 D HA 0.404 5.045 4.640 0.001 0.000 0.227 77 D C -0.721 175.528 176.300 -0.085 0.000 1.091 77 D CA -0.296 53.642 54.000 -0.105 0.000 0.840 77 D CB 0.846 41.567 40.800 -0.130 0.000 1.060 77 D HN 0.127 nan 8.370 nan 0.000 0.502 78 I N 3.157 123.679 120.570 -0.079 0.000 2.371 78 I HA 0.353 4.523 4.170 0.001 0.000 0.290 78 I C 1.201 177.273 176.117 -0.076 0.000 1.028 78 I CA -0.055 61.204 61.300 -0.068 0.000 1.345 78 I CB 1.090 39.054 38.000 -0.060 0.000 1.407 78 I HN 0.656 nan 8.210 nan 0.000 0.501 79 G N 4.274 113.029 108.800 -0.076 0.000 2.387 79 G HA2 -0.229 3.731 3.960 0.001 0.000 0.270 79 G HA3 -0.229 3.731 3.960 0.001 0.000 0.270 79 G C 0.681 175.528 174.900 -0.090 0.000 0.957 79 G CA 0.403 45.449 45.100 -0.089 0.000 1.352 79 G HN 0.640 nan 8.290 nan 0.000 0.457 80 S N 0.406 116.047 115.700 -0.099 0.000 2.421 80 S HA 0.402 4.873 4.470 0.001 0.000 0.224 80 S C 2.260 176.799 174.600 -0.101 0.000 1.035 80 S CA 1.227 59.358 58.200 -0.115 0.000 0.953 80 S CB -0.216 62.913 63.200 -0.118 0.000 0.810 80 S HN 2.457 nan 8.310 nan 0.000 0.497 81 G N 2.537 111.271 108.800 -0.110 0.000 2.564 81 G HA2 -0.247 3.714 3.960 0.001 0.000 0.273 81 G HA3 -0.247 3.714 3.960 0.001 0.000 0.273 81 G C -2.387 172.497 174.900 -0.025 0.000 1.242 81 G CA 0.128 45.158 45.100 -0.117 0.000 0.951 81 G HN 0.329 nan 8.290 nan 0.000 0.564 82 P HA 0.200 nan 4.420 nan 0.000 0.261 82 P C 0.568 177.939 177.300 0.117 0.000 1.352 82 P CA 1.250 64.419 63.100 0.114 0.000 0.891 82 P CB 0.055 31.861 31.700 0.177 0.000 1.383 83 T N -2.545 111.996 114.554 -0.021 0.000 2.925 83 T HA 0.435 4.785 4.350 0.001 0.000 0.285 83 T C 0.932 175.207 174.700 -0.708 0.000 1.021 83 T CA -0.504 61.410 62.100 -0.310 0.000 1.042 83 T CB 1.929 70.617 68.868 -0.300 0.000 1.037 83 T HN -0.128 nan 8.240 nan 0.000 0.481 84 V N -0.122 118.973 119.914 -1.365 0.000 3.480 84 V HA 0.176 4.297 4.120 0.001 0.000 0.263 84 V C 1.974 177.423 176.094 -1.075 0.000 1.442 84 V CA 0.526 62.158 62.300 -1.113 0.000 1.053 84 V CB -1.654 29.430 31.823 -1.231 0.000 0.846 84 V HN 0.942 nan 8.190 nan 0.000 0.440 85 Y N 3.615 123.127 120.300 -1.314 0.000 2.172 85 Y HA -0.327 4.223 4.550 0.001 0.000 0.280 85 Y C 2.340 178.026 175.900 -0.357 0.000 1.209 85 Y CA 2.350 60.022 58.100 -0.714 0.000 1.171 85 Y CB -1.098 36.967 38.460 -0.658 0.000 0.965 85 Y HN 0.480 nan 8.280 nan 0.000 0.520 86 Q N 1.097 120.053 119.800 -1.407 0.000 2.561 86 Q HA -0.072 4.269 4.340 0.001 0.000 0.217 86 Q C 1.160 176.905 176.000 -0.425 0.000 0.980 86 Q CA 1.555 56.840 55.803 -0.863 0.000 0.927 86 Q CB -0.442 27.773 28.738 -0.871 0.000 0.980 86 Q HN 0.774 nan 8.270 nan 0.000 0.525 87 L N -0.254 120.727 121.223 -0.404 0.000 2.966 87 L HA 0.208 4.548 4.340 0.001 0.000 0.262 87 L C 1.817 178.549 176.870 -0.231 0.000 1.165 87 L CA -0.197 54.470 54.840 -0.289 0.000 0.978 87 L CB 0.149 42.052 42.059 -0.259 0.000 1.337 87 L HN 0.028 nan 8.230 nan 0.000 0.563 88 L N -0.596 120.512 121.223 -0.192 0.000 2.079 88 L HA -0.201 4.140 4.340 0.001 0.000 0.210 88 L C 2.458 179.265 176.870 -0.104 0.000 1.081 88 L CA 1.283 56.070 54.840 -0.090 0.000 0.752 88 L CB -0.309 41.748 42.059 -0.003 0.000 0.896 88 L HN 0.228 nan 8.230 nan 0.000 0.433 89 S N -0.942 114.645 115.700 -0.188 0.000 2.387 89 S HA 0.066 4.536 4.470 0.001 0.000 0.221 89 S C 2.128 176.367 174.600 -0.602 0.000 1.041 89 S CA 0.774 58.808 58.200 -0.276 0.000 0.959 89 S CB 0.079 63.148 63.200 -0.219 0.000 0.843 89 S HN 0.433 nan 8.310 nan 0.000 0.488 90 A N 1.069 123.328 122.820 -0.935 0.000 1.902 90 A HA -0.176 4.144 4.320 0.001 0.000 0.217 90 A C 2.412 179.789 177.584 -0.345 0.000 1.181 90 A CA 1.712 53.017 52.037 -1.221 0.000 0.623 90 A CB -1.567 16.932 19.000 -0.836 0.000 0.818 90 A HN 0.827 nan 8.150 nan 0.000 0.443 91 C N 0.597 119.779 119.300 -0.197 0.000 2.385 91 C HA -0.024 4.436 4.460 0.001 0.000 0.306 91 C C 2.392 177.401 174.990 0.031 0.000 1.433 91 C CA 1.156 60.154 59.018 -0.034 0.000 1.796 91 C CB -2.088 25.635 27.740 -0.028 0.000 1.749 91 C HN 0.753 nan 8.230 nan 0.000 0.565 92 S N -2.072 113.660 115.700 0.055 0.000 2.572 92 S HA 0.240 4.711 4.470 0.001 0.000 0.228 92 S C 0.654 175.260 174.600 0.011 0.000 0.963 92 S CA 0.062 58.294 58.200 0.054 0.000 0.939 92 S CB -0.660 62.563 63.200 0.038 0.000 0.804 92 S HN 0.804 nan 8.310 nan 0.000 0.480 93 H N -0.485 118.591 119.070 0.009 0.000 3.233 93 H HA 0.480 5.037 4.556 0.001 0.000 0.263 93 H C -1.249 173.925 175.328 -0.257 0.000 1.168 93 H CA -0.431 55.603 56.048 -0.022 0.000 1.159 93 H CB 0.476 30.334 29.762 0.160 0.000 1.593 93 H HN 0.378 nan 8.280 nan 0.000 0.580 94 F N 0.574 120.571 119.950 0.079 0.000 2.579 94 F HA 0.258 4.785 4.527 0.001 0.000 0.325 94 F C 0.809 176.622 175.800 0.022 0.000 1.162 94 F CA -0.965 57.070 58.000 0.058 0.000 0.946 94 F CB 1.888 40.928 39.000 0.067 0.000 1.211 94 F HN 0.016 nan 8.300 nan 0.000 0.447 95 E N 0.451 120.712 120.200 0.101 0.000 2.072 95 E HA -0.132 4.218 4.350 0.001 0.000 0.191 95 E C 0.146 176.799 176.600 0.088 0.000 0.985 95 E CA 0.834 57.273 56.400 0.066 0.000 0.801 95 E CB 0.289 30.003 29.700 0.023 0.000 0.750 95 E HN 0.384 nan 8.360 nan 0.000 0.452 96 D N 1.000 121.473 120.400 0.121 0.000 2.443 96 D HA 0.210 4.850 4.640 0.001 0.000 0.221 96 D C -0.937 175.431 176.300 0.113 0.000 1.097 96 D CA -0.201 53.859 54.000 0.100 0.000 0.865 96 D CB 0.466 41.319 40.800 0.088 0.000 1.034 96 D HN 0.011 nan 8.370 nan 0.000 0.511 97 I N 2.648 123.261 120.570 0.072 0.000 2.378 97 I HA 0.157 4.328 4.170 0.001 0.000 0.291 97 I C 0.060 176.184 176.117 0.013 0.000 0.992 97 I CA -0.525 60.797 61.300 0.037 0.000 1.154 97 I CB 2.116 40.130 38.000 0.022 0.000 1.315 97 I HN 0.105 nan 8.210 nan 0.000 0.448 98 T N 7.377 121.928 114.554 -0.005 0.000 2.772 98 T HA 0.515 4.866 4.350 0.001 0.000 0.288 98 T C -0.094 174.587 174.700 -0.032 0.000 0.994 98 T CA -0.481 61.612 62.100 -0.011 0.000 0.951 98 T CB 0.777 69.642 68.868 -0.005 0.000 0.933 98 T HN 0.378 nan 8.240 nan 0.000 0.447 99 M N 3.234 122.817 119.600 -0.029 0.000 2.318 99 M HA 0.534 5.015 4.480 0.001 0.000 0.347 99 M C 0.460 176.738 176.300 -0.037 0.000 1.175 99 M CA -0.624 54.649 55.300 -0.046 0.000 1.075 99 M CB 1.737 34.312 32.600 -0.042 0.000 1.614 99 M HN 0.724 nan 8.290 nan 0.000 0.456 100 T N -1.242 113.282 114.554 -0.049 0.000 2.864 100 T HA 0.798 5.149 4.350 0.001 0.000 0.299 100 T C -1.582 173.089 174.700 -0.048 0.000 1.166 100 T CA -0.793 61.283 62.100 -0.040 0.000 1.007 100 T CB 2.581 71.429 68.868 -0.033 0.000 1.219 100 T HN 0.705 nan 8.240 nan 0.000 0.506 101 D N -0.980 119.398 120.400 -0.037 0.000 2.751 101 D HA 0.264 4.905 4.640 0.001 0.000 0.236 101 D C -0.433 175.863 176.300 -0.007 0.000 1.196 101 D CA -0.631 53.344 54.000 -0.041 0.000 0.741 101 D CB 1.080 41.838 40.800 -0.070 0.000 1.474 101 D HN 0.423 nan 8.370 nan 0.000 0.452 102 F N 1.874 121.725 119.950 -0.165 0.000 2.293 102 F HA 0.287 4.815 4.527 0.001 0.000 0.300 102 F C 0.075 175.810 175.800 -0.109 0.000 1.086 102 F CA 0.947 58.861 58.000 -0.142 0.000 1.375 102 F CB 0.256 39.135 39.000 -0.202 0.000 1.045 102 F HN 0.280 nan 8.300 nan 0.000 0.516 103 L N 0.447 121.641 121.223 -0.048 0.000 2.313 103 L HA 0.234 4.574 4.340 0.001 0.000 0.283 103 L C 1.208 178.047 176.870 -0.051 0.000 1.013 103 L CA -0.530 54.272 54.840 -0.063 0.000 0.816 103 L CB 1.592 43.660 42.059 0.014 0.000 1.236 103 L HN -0.080 nan 8.230 nan 0.000 0.419 104 E N 1.515 121.680 120.200 -0.058 0.000 2.097 104 E HA -0.221 4.129 4.350 0.001 0.000 0.196 104 E C 1.935 178.547 176.600 0.021 0.000 1.000 104 E CA 1.926 58.311 56.400 -0.025 0.000 0.804 104 E CB 0.145 29.830 29.700 -0.024 0.000 0.740 104 E HN 0.708 nan 8.360 nan 0.000 0.454 105 V N 0.144 120.087 119.914 0.048 0.000 2.370 105 V HA -0.314 3.807 4.120 0.001 0.000 0.252 105 V C 1.714 177.870 176.094 0.104 0.000 1.068 105 V CA 2.131 64.487 62.300 0.093 0.000 1.061 105 V CB -0.630 31.278 31.823 0.143 0.000 0.656 105 V HN 0.203 nan 8.190 nan 0.000 0.455 106 N N 0.686 119.432 118.700 0.075 0.000 2.250 106 N HA -0.034 4.706 4.740 0.001 0.000 0.181 106 N C 2.033 177.577 175.510 0.057 0.000 1.017 106 N CA 1.556 54.647 53.050 0.068 0.000 0.866 106 N CB -0.396 38.084 38.487 -0.012 0.000 0.985 106 N HN 0.515 nan 8.380 nan 0.000 0.429 107 R N 0.833 121.352 120.500 0.031 0.000 2.189 107 R HA 0.027 4.367 4.340 0.001 0.000 0.223 107 R C 2.015 178.350 176.300 0.058 0.000 1.092 107 R CA 0.894 57.013 56.100 0.031 0.000 0.989 107 R CB 0.074 30.377 30.300 0.005 0.000 0.876 107 R HN 0.410 nan 8.270 nan 0.000 0.457 108 Q N -0.392 119.449 119.800 0.068 0.000 2.123 108 Q HA -0.071 4.269 4.340 0.001 0.000 0.196 108 Q C 1.681 177.749 176.000 0.114 0.000 0.958 108 Q CA 0.619 56.471 55.803 0.080 0.000 0.841 108 Q CB 0.154 28.936 28.738 0.074 0.000 0.915 108 Q HN 0.190 nan 8.270 nan 0.000 0.455 109 E N 1.140 121.419 120.200 0.131 0.000 2.051 109 E HA -0.144 4.206 4.350 0.001 0.000 0.192 109 E C 2.112 178.843 176.600 0.218 0.000 0.991 109 E CA 0.838 57.343 56.400 0.175 0.000 0.799 109 E CB -0.173 29.631 29.700 0.174 0.000 0.748 109 E HN 0.319 nan 8.360 nan 0.000 0.449 110 L N 0.066 121.396 121.223 0.179 0.000 1.971 110 L HA -0.212 4.129 4.340 0.001 0.000 0.215 110 L C 2.541 179.556 176.870 0.243 0.000 1.072 110 L CA 1.664 56.623 54.840 0.199 0.000 0.758 110 L CB -0.936 41.187 42.059 0.107 0.000 0.889 110 L HN 0.242 nan 8.230 nan 0.000 0.433 111 G N -0.612 108.285 108.800 0.162 0.000 2.469 111 G HA2 -0.352 3.609 3.960 0.001 0.000 0.219 111 G HA3 -0.352 3.609 3.960 0.001 0.000 0.219 111 G C 1.658 176.648 174.900 0.150 0.000 1.150 111 G CA 1.016 46.197 45.100 0.133 0.000 0.763 111 G HN 0.255 nan 8.290 nan 0.000 0.561 112 R N -1.039 119.565 120.500 0.173 0.000 2.159 112 R HA -0.138 4.202 4.340 0.001 0.000 0.237 112 R C 2.091 178.522 176.300 0.219 0.000 1.131 112 R CA 1.690 57.893 56.100 0.171 0.000 0.982 112 R CB -0.407 30.003 30.300 0.184 0.000 0.868 112 R HN 0.574 nan 8.270 nan 0.000 0.453 113 W N -0.227 121.159 121.300 0.143 0.000 2.525 113 W HA 0.083 4.744 4.660 0.001 0.000 0.288 113 W C 1.315 177.911 176.519 0.128 0.000 1.200 113 W CA 0.709 58.161 57.345 0.178 0.000 1.349 113 W CB -0.149 29.474 29.460 0.271 0.000 1.102 113 W HN -0.013 nan 8.180 nan 0.000 0.558 114 L N 0.738 122.074 121.223 0.187 0.000 1.989 114 L HA -0.266 4.074 4.340 0.001 0.000 0.211 114 L C 2.284 179.078 176.870 -0.127 0.000 1.071 114 L CA 1.324 56.164 54.840 -0.000 0.000 0.749 114 L CB -1.026 41.111 42.059 0.130 0.000 0.890 114 L HN 0.022 nan 8.230 nan 0.000 0.431 115 Q N 0.348 120.120 119.800 -0.047 0.000 2.373 115 Q HA -0.015 4.325 4.340 0.001 0.000 0.206 115 Q C -0.184 175.765 176.000 -0.085 0.000 0.942 115 Q CA 0.110 55.880 55.803 -0.055 0.000 0.953 115 Q CB -0.351 28.381 28.738 -0.009 0.000 1.022 115 Q HN 0.485 nan 8.270 nan 0.000 0.502 116 E N 0.955 121.060 120.200 -0.159 0.000 2.269 116 E HA -0.223 4.128 4.350 0.001 0.000 0.223 116 E C -0.669 175.900 176.600 -0.053 0.000 1.244 116 E CA 0.523 56.830 56.400 -0.155 0.000 0.713 116 E CB -1.096 28.507 29.700 -0.162 0.000 1.178 116 E HN 0.547 nan 8.360 nan 0.000 0.370 117 E N 0.112 120.309 120.200 -0.006 0.000 2.385 117 E HA 0.267 4.618 4.350 0.001 0.000 0.254 117 E C -2.259 174.368 176.600 0.045 0.000 1.228 117 E CA -1.702 54.713 56.400 0.025 0.000 0.956 117 E CB 0.512 30.239 29.700 0.044 0.000 1.116 117 E HN -0.029 nan 8.360 nan 0.000 0.507 118 P HA 0.149 nan 4.420 nan 0.000 0.279 118 P C -0.195 177.150 177.300 0.075 0.000 1.239 118 P CA 0.324 63.456 63.100 0.053 0.000 0.789 118 P CB 0.843 32.568 31.700 0.041 0.000 0.933 119 G N 1.365 110.215 108.800 0.083 0.000 2.136 119 G HA2 -0.095 3.866 3.960 0.001 0.000 0.242 119 G HA3 -0.095 3.866 3.960 0.001 0.000 0.242 119 G C 0.356 175.348 174.900 0.154 0.000 0.989 119 G CA -0.113 45.049 45.100 0.103 0.000 0.682 119 G HN 0.820 nan 8.290 nan 0.000 0.522 120 A N -0.209 122.716 122.820 0.175 0.000 2.388 120 A HA 0.665 4.985 4.320 0.001 0.000 0.257 120 A C 0.262 178.034 177.584 0.313 0.000 1.095 120 A CA -0.265 51.947 52.037 0.292 0.000 0.791 120 A CB 0.416 19.593 19.000 0.294 0.000 1.029 120 A HN 1.343 nan 8.150 nan 0.000 0.489 121 F N 2.087 122.160 119.950 0.205 0.000 2.545 121 F HA 0.198 4.726 4.527 0.001 0.000 0.348 121 F C 0.670 176.475 175.800 0.008 0.000 1.163 121 F CA 0.129 58.114 58.000 -0.024 0.000 1.331 121 F CB 0.514 39.357 39.000 -0.262 0.000 1.138 121 F HN 0.608 nan 8.300 nan 0.000 0.602 122 N N 4.735 122.794 118.700 -1.069 0.000 2.589 122 N HA 0.091 4.832 4.740 0.001 0.000 0.232 122 N C -0.618 174.433 175.510 -0.765 0.000 1.015 122 N CA -0.375 52.300 53.050 -0.625 0.000 0.931 122 N CB -0.137 38.078 38.487 -0.453 0.000 1.150 122 N HN 0.657 nan 8.380 nan 0.000 0.512 123 W N 1.705 122.935 121.300 -0.117 0.000 3.353 123 W HA 0.074 4.735 4.660 0.001 0.000 0.304 123 W C 2.075 178.632 176.519 0.064 0.000 1.273 123 W CA -0.175 57.175 57.345 0.008 0.000 1.773 123 W CB 0.146 29.531 29.460 -0.125 0.000 1.095 123 W HN 0.593 nan 8.180 nan 0.000 0.676 124 S N 0.069 115.816 115.700 0.079 0.000 2.387 124 S HA -0.278 4.193 4.470 0.001 0.000 0.230 124 S C 1.872 176.288 174.600 -0.306 0.000 1.035 124 S CA 1.153 59.159 58.200 -0.323 0.000 1.014 124 S CB -0.356 62.328 63.200 -0.861 0.000 0.836 124 S HN 0.081 nan 8.310 nan 0.000 0.466 125 M N 0.552 120.068 119.600 -0.140 0.000 2.117 125 M HA 0.001 4.482 4.480 0.001 0.000 0.262 125 M C 2.012 178.281 176.300 -0.053 0.000 1.065 125 M CA 1.419 56.632 55.300 -0.144 0.000 1.114 125 M CB -1.685 30.821 32.600 -0.157 0.000 1.361 125 M HN 0.389 nan 8.290 nan 0.000 0.408 126 Y N 0.105 120.469 120.300 0.106 0.000 2.314 126 Y HA -0.071 4.479 4.550 0.001 0.000 0.293 126 Y C 2.725 178.731 175.900 0.178 0.000 1.129 126 Y CA 1.245 59.464 58.100 0.198 0.000 1.201 126 Y CB -0.674 38.001 38.460 0.358 0.000 0.999 126 Y HN 0.230 nan 8.280 nan 0.000 0.541 127 S N -0.272 115.607 115.700 0.299 0.000 2.357 127 S HA -0.204 4.266 4.470 0.001 0.000 0.221 127 S C 1.893 176.634 174.600 0.235 0.000 1.031 127 S CA 1.241 59.613 58.200 0.288 0.000 0.982 127 S CB -0.308 63.144 63.200 0.419 0.000 0.853 127 S HN 0.516 nan 8.310 nan 0.000 0.458 128 Q N 0.120 119.980 119.800 0.100 0.000 2.061 128 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 128 Q C 2.053 178.109 176.000 0.094 0.000 0.984 128 Q CA 1.809 57.659 55.803 0.079 0.000 0.846 128 Q CB -0.316 28.354 28.738 -0.113 0.000 0.902 128 Q HN 0.624 nan 8.270 nan 0.000 0.421 129 H N 0.057 119.129 119.070 0.003 0.000 2.457 129 H HA 0.011 4.568 4.556 0.001 0.000 0.294 129 H C 1.797 177.143 175.328 0.029 0.000 1.064 129 H CA 1.315 57.359 56.048 -0.007 0.000 1.330 129 H CB 0.065 29.788 29.762 -0.066 0.000 1.395 129 H HN 0.296 nan 8.280 nan 0.000 0.541 130 A N -0.623 122.258 122.820 0.102 0.000 1.897 130 A HA -0.122 4.199 4.320 0.001 0.000 0.215 130 A C 2.606 180.197 177.584 0.012 0.000 1.181 130 A CA 1.183 53.255 52.037 0.059 0.000 0.620 130 A CB -1.037 18.030 19.000 0.112 0.000 0.821 130 A HN 0.606 nan 8.150 nan 0.000 0.443 131 C N -1.150 118.185 119.300 0.057 0.000 2.425 131 C HA -0.052 4.409 4.460 0.001 0.000 0.277 131 C C 2.521 177.509 174.990 -0.003 0.000 1.280 131 C CA 1.052 60.102 59.018 0.054 0.000 1.744 131 C CB -1.423 26.390 27.740 0.122 0.000 1.989 131 C HN 0.666 nan 8.230 nan 0.000 0.491 132 L N 1.031 122.223 121.223 -0.051 0.000 1.989 132 L HA -0.099 4.241 4.340 0.001 0.000 0.211 132 L C 2.248 179.033 176.870 -0.143 0.000 1.071 132 L CA 1.940 56.716 54.840 -0.107 0.000 0.749 132 L CB -0.633 41.315 42.059 -0.185 0.000 0.890 132 L HN 0.315 nan 8.230 nan 0.000 0.431 133 I N -0.737 119.704 120.570 -0.215 0.000 2.226 133 I HA -0.280 3.891 4.170 0.001 0.000 0.245 133 I C 2.358 178.428 176.117 -0.079 0.000 1.100 133 I CA 1.431 62.632 61.300 -0.165 0.000 1.374 133 I CB -0.346 37.550 38.000 -0.173 0.000 1.057 133 I HN 0.362 nan 8.210 nan 0.000 0.413 134 E N 0.612 120.782 120.200 -0.050 0.000 2.150 134 E HA -0.101 4.250 4.350 0.001 0.000 0.193 134 E C 1.389 177.983 176.600 -0.011 0.000 0.985 134 E CA 0.715 57.105 56.400 -0.016 0.000 0.814 134 E CB -0.130 29.573 29.700 0.006 0.000 0.752 134 E HN 0.601 nan 8.360 nan 0.000 0.466 135 G N 1.654 110.444 108.800 -0.017 0.000 2.273 135 G HA2 -0.331 3.629 3.960 0.001 0.000 0.280 135 G HA3 -0.331 3.629 3.960 0.001 0.000 0.280 135 G C 0.254 175.153 174.900 -0.001 0.000 1.047 135 G CA 0.736 45.830 45.100 -0.010 0.000 0.869 135 G HN 0.243 nan 8.290 nan 0.000 0.502 136 K N -0.179 120.223 120.400 0.004 0.000 2.576 136 K HA 0.447 4.768 4.320 0.001 0.000 0.209 136 K C 1.715 178.317 176.600 0.005 0.000 1.049 136 K CA -0.023 56.266 56.287 0.004 0.000 1.140 136 K CB 0.485 32.988 32.500 0.005 0.000 0.871 136 K HN 1.117 nan 8.250 nan 0.000 0.479 137 G N 2.257 111.062 108.800 0.007 0.000 2.244 137 G HA2 -0.362 3.598 3.960 0.001 0.000 0.274 137 G HA3 -0.362 3.598 3.960 0.001 0.000 0.274 137 G C -0.093 174.814 174.900 0.012 0.000 1.002 137 G CA 0.673 45.779 45.100 0.009 0.000 0.740 137 G HN 0.559 nan 8.290 nan 0.000 0.516 138 E N 0.204 120.415 120.200 0.018 0.000 2.289 138 E HA 0.415 4.766 4.350 0.001 0.000 0.278 138 E C 1.361 177.984 176.600 0.039 0.000 1.032 138 E CA -0.465 55.947 56.400 0.019 0.000 0.854 138 E CB 0.286 30.000 29.700 0.024 0.000 1.046 138 E HN 0.635 nan 8.360 nan 0.000 0.409 139 C N 5.489 124.793 119.300 0.006 0.000 2.604 139 C HA 0.289 4.749 4.460 0.001 0.000 0.396 139 C C 1.752 176.749 174.990 0.013 0.000 1.282 139 C CA -0.691 58.321 59.018 -0.011 0.000 2.292 139 C CB -0.254 27.416 27.740 -0.117 0.000 2.633 139 C HN 1.078 nan 8.230 nan 0.000 0.620 140 W N 1.496 122.827 121.300 0.050 0.000 2.519 140 W HA 0.019 4.679 4.660 0.001 0.000 0.266 140 W C 1.391 177.964 176.519 0.090 0.000 1.253 140 W CA 0.982 58.374 57.345 0.078 0.000 1.274 140 W CB -1.048 28.470 29.460 0.098 0.000 1.114 140 W HN 0.767 nan 8.180 nan 0.000 0.596 141 Q N 1.512 120.830 119.800 -0.803 0.000 2.079 141 Q HA -0.155 4.186 4.340 0.001 0.000 0.200 141 Q C 1.630 177.500 176.000 -0.217 0.000 0.974 141 Q CA 2.281 57.677 55.803 -0.677 0.000 0.840 141 Q CB -0.700 27.554 28.738 -0.807 0.000 0.898 141 Q HN 0.106 nan 8.270 nan 0.000 0.430 142 D N 0.068 120.364 120.400 -0.173 0.000 2.218 142 D HA -0.141 4.499 4.640 0.001 0.000 0.204 142 D C 1.523 177.824 176.300 0.001 0.000 0.976 142 D CA 0.976 54.931 54.000 -0.075 0.000 0.853 142 D CB -0.001 40.759 40.800 -0.066 0.000 0.939 142 D HN 0.202 nan 8.370 nan 0.000 0.481 143 K N 0.663 121.099 120.400 0.061 0.000 2.044 143 K HA -0.070 4.250 4.320 0.001 0.000 0.204 143 K C 1.746 178.442 176.600 0.160 0.000 1.049 143 K CA 0.847 57.201 56.287 0.112 0.000 0.945 143 K CB 0.167 32.763 32.500 0.160 0.000 0.724 143 K HN 0.041 nan 8.250 nan 0.000 0.440 144 E N 0.444 120.789 120.200 0.242 0.000 2.085 144 E HA -0.223 4.127 4.350 0.001 0.000 0.194 144 E C 2.212 178.906 176.600 0.157 0.000 0.994 144 E CA 0.927 57.532 56.400 0.341 0.000 0.801 144 E CB -0.075 29.896 29.700 0.451 0.000 0.743 144 E HN 0.258 nan 8.360 nan 0.000 0.453 145 R N 1.132 121.664 120.500 0.053 0.000 2.080 145 R HA -0.239 4.101 4.340 0.001 0.000 0.236 145 R C 2.470 178.778 176.300 0.014 0.000 1.137 145 R CA 2.045 58.139 56.100 -0.009 0.000 0.943 145 R CB -0.193 30.083 30.300 -0.040 0.000 0.846 145 R HN 0.184 nan 8.270 nan 0.000 0.431 146 Q N 0.264 120.082 119.800 0.029 0.000 2.096 146 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 146 Q C 2.188 178.218 176.000 0.050 0.000 0.982 146 Q CA 1.736 57.556 55.803 0.028 0.000 0.850 146 Q CB -0.156 28.595 28.738 0.022 0.000 0.901 146 Q HN 0.334 nan 8.270 nan 0.000 0.422 147 L N 0.956 122.233 121.223 0.090 0.000 2.017 147 L HA -0.181 4.159 4.340 0.001 0.000 0.208 147 L C 2.263 179.208 176.870 0.126 0.000 1.073 147 L CA 1.796 56.704 54.840 0.114 0.000 0.745 147 L CB -0.410 41.755 42.059 0.177 0.000 0.894 147 L HN 0.135 nan 8.230 nan 0.000 0.432 148 R N -0.492 120.079 120.500 0.120 0.000 2.105 148 R HA -0.140 4.200 4.340 0.001 0.000 0.239 148 R C 2.189 178.506 176.300 0.028 0.000 1.135 148 R CA 1.314 57.445 56.100 0.052 0.000 0.967 148 R CB -0.652 29.598 30.300 -0.084 0.000 0.861 148 R HN 0.571 nan 8.270 nan 0.000 0.442 149 A N 1.133 123.964 122.820 0.019 0.000 1.897 149 A HA -0.107 4.213 4.320 0.001 0.000 0.215 149 A C 1.962 179.559 177.584 0.022 0.000 1.181 149 A CA 0.920 52.964 52.037 0.011 0.000 0.620 149 A CB -0.218 18.783 19.000 0.002 0.000 0.821 149 A HN 0.199 nan 8.150 nan 0.000 0.443 150 R N -0.620 119.900 120.500 0.034 0.000 2.307 150 R HA 0.088 4.428 4.340 0.001 0.000 0.199 150 R C -0.406 175.919 176.300 0.042 0.000 1.000 150 R CA 0.152 56.276 56.100 0.040 0.000 1.023 150 R CB -0.068 30.262 30.300 0.051 0.000 0.908 150 R HN 0.273 nan 8.270 nan 0.000 0.473 151 V N 3.027 122.967 119.914 0.043 0.000 2.322 151 V HA 0.035 4.156 4.120 0.001 0.000 0.258 151 V C 0.753 176.867 176.094 0.032 0.000 1.074 151 V CA -0.018 62.306 62.300 0.039 0.000 0.909 151 V CB 0.992 32.849 31.823 0.056 0.000 1.090 151 V HN 0.132 nan 8.190 nan 0.000 0.486 152 K N 4.376 124.792 120.400 0.027 0.000 2.007 152 K HA 0.045 4.365 4.320 0.001 0.000 0.206 152 K C 0.873 177.484 176.600 0.018 0.000 1.047 152 K CA 1.117 57.416 56.287 0.021 0.000 0.937 152 K CB 0.045 32.557 32.500 0.021 0.000 0.718 152 K HN 0.673 nan 8.250 nan 0.000 0.438 153 R N -0.098 120.412 120.500 0.016 0.000 2.837 153 R HA 0.587 4.927 4.340 0.001 0.000 0.271 153 R C -1.001 175.304 176.300 0.008 0.000 0.993 153 R CA -0.793 55.313 56.100 0.012 0.000 0.931 153 R CB 1.578 31.883 30.300 0.007 0.000 1.206 153 R HN -0.227 nan 8.270 nan 0.000 0.474 154 V N 3.295 123.213 119.914 0.007 0.000 2.340 154 V HA 0.335 4.456 4.120 0.001 0.000 0.277 154 V C -0.248 175.842 176.094 -0.007 0.000 1.017 154 V CA -0.626 61.675 62.300 0.002 0.000 0.820 154 V CB 0.927 32.759 31.823 0.015 0.000 1.028 154 V HN 0.540 nan 8.190 nan 0.000 0.436 155 L N 5.196 126.411 121.223 -0.013 0.000 2.332 155 L HA 0.694 5.035 4.340 0.001 0.000 0.269 155 L C -2.553 174.300 176.870 -0.028 0.000 1.016 155 L CA -2.151 52.677 54.840 -0.019 0.000 0.809 155 L CB 1.848 43.898 42.059 -0.014 0.000 1.280 155 L HN 0.307 nan 8.230 nan 0.000 0.447 156 P HA 0.465 nan 4.420 nan 0.000 0.279 156 P C -1.062 176.227 177.300 -0.019 0.000 1.252 156 P CA -0.282 62.784 63.100 -0.057 0.000 0.811 156 P CB 1.352 32.993 31.700 -0.098 0.000 1.035 157 I N 0.589 121.172 120.570 0.022 0.000 2.984 157 I HA 0.444 4.615 4.170 0.001 0.000 0.303 157 I C -1.973 174.259 176.117 0.191 0.000 1.381 157 I CA -0.621 60.718 61.300 0.065 0.000 0.988 157 I CB 2.604 40.619 38.000 0.025 0.000 1.307 157 I HN 0.205 nan 8.210 nan 0.000 0.460 158 D N 5.168 125.660 120.400 0.153 0.000 2.328 158 D HA 0.158 4.798 4.640 0.001 0.000 0.243 158 D C 0.689 177.015 176.300 0.043 0.000 1.324 158 D CA -0.278 53.824 54.000 0.170 0.000 0.966 158 D CB 1.784 42.754 40.800 0.283 0.000 1.324 158 D HN 0.427 nan 8.370 nan 0.000 0.549 159 V N 1.951 121.809 119.914 -0.093 0.000 3.140 159 V HA -0.141 3.980 4.120 0.001 0.000 0.269 159 V C 1.333 177.383 176.094 -0.074 0.000 1.149 159 V CA 1.212 63.437 62.300 -0.125 0.000 1.162 159 V CB -0.809 30.863 31.823 -0.252 0.000 0.756 159 V HN 0.499 nan 8.190 nan 0.000 0.523 160 H N -0.434 118.699 119.070 0.105 0.000 2.544 160 H HA 0.266 4.822 4.556 0.001 0.000 0.269 160 H C 0.900 176.420 175.328 0.320 0.000 0.970 160 H CA 0.359 56.500 56.048 0.156 0.000 1.219 160 H CB 0.178 29.965 29.762 0.041 0.000 1.421 160 H HN 0.537 nan 8.280 nan 0.000 0.555 161 Q N 0.862 120.836 119.800 0.291 0.000 2.293 161 Q HA 0.094 4.435 4.340 0.001 0.000 0.251 161 Q C -1.628 174.244 176.000 -0.213 0.000 0.930 161 Q CA -1.863 53.995 55.803 0.092 0.000 0.893 161 Q CB 0.860 29.634 28.738 0.059 0.000 1.215 161 Q HN 0.112 nan 8.270 nan 0.000 0.425 162 P HA -0.133 nan 4.420 nan 0.000 0.219 162 P C -0.198 176.865 177.300 -0.395 0.000 1.146 162 P CA 1.410 64.078 63.100 -0.720 0.000 0.808 162 P CB 0.406 31.910 31.700 -0.325 0.000 0.779 163 Q N -1.626 118.056 119.800 -0.197 0.000 2.907 163 Q HA 0.187 4.527 4.340 0.001 0.000 0.262 163 Q C -1.948 174.025 176.000 -0.046 0.000 0.997 163 Q CA -1.882 53.862 55.803 -0.097 0.000 0.797 163 Q CB 1.054 29.753 28.738 -0.065 0.000 1.228 163 Q HN 0.050 nan 8.270 nan 0.000 0.466 164 P HA -0.272 nan 4.420 nan 0.000 0.222 164 P C 0.609 177.920 177.300 0.019 0.000 1.157 164 P CA 1.626 64.738 63.100 0.019 0.000 0.905 164 P CB 0.286 32.001 31.700 0.025 0.000 0.792 165 L N -3.620 117.606 121.223 0.005 0.000 2.592 165 L HA 0.244 4.584 4.340 0.001 0.000 0.227 165 L C 1.617 178.487 176.870 0.000 0.000 1.127 165 L CA 0.494 55.336 54.840 0.003 0.000 0.884 165 L CB -0.548 41.510 42.059 -0.002 0.000 1.065 165 L HN 0.193 nan 8.230 nan 0.000 0.457 166 G N -0.136 108.663 108.800 -0.001 0.000 3.035 166 G HA2 -0.222 3.739 3.960 0.001 0.000 0.242 166 G HA3 -0.222 3.739 3.960 0.001 0.000 0.242 166 G C 0.362 175.257 174.900 -0.009 0.000 1.524 166 G CA 0.130 45.228 45.100 -0.003 0.000 1.038 166 G HN 0.301 nan 8.290 nan 0.000 0.561 167 A N -2.106 120.709 122.820 -0.008 0.000 1.594 167 A HA 0.657 4.977 4.320 0.001 0.000 0.200 167 A C 2.239 179.819 177.584 -0.007 0.000 1.674 167 A CA 1.621 53.653 52.037 -0.009 0.000 1.272 167 A CB -0.647 18.348 19.000 -0.008 0.000 1.157 167 A HN 2.195 nan 8.150 nan 0.000 0.486 168 G N 1.544 110.341 108.800 -0.006 0.000 2.848 168 G HA2 0.271 4.231 3.960 0.001 0.000 0.208 168 G HA3 0.271 4.231 3.960 0.001 0.000 0.208 168 G C 0.778 175.676 174.900 -0.004 0.000 1.152 168 G CA 0.933 46.030 45.100 -0.004 0.000 0.789 168 G HN 1.272 nan 8.290 nan 0.000 0.531 169 S N 0.666 116.363 115.700 -0.004 0.000 3.129 169 S HA -0.020 4.451 4.470 0.001 0.000 0.371 169 S C -1.299 173.301 174.600 -0.001 0.000 1.196 169 S CA -0.224 57.974 58.200 -0.003 0.000 0.989 169 S CB 0.903 64.101 63.200 -0.003 0.000 0.695 169 S HN 0.097 nan 8.310 nan 0.000 0.499 170 P HA 0.195 nan 4.420 nan 0.000 0.237 170 P C 0.258 177.562 177.300 0.007 0.000 1.178 170 P CA 0.815 63.917 63.100 0.003 0.000 0.766 170 P CB -0.080 31.621 31.700 0.003 0.000 0.876 171 A N 1.344 124.168 122.820 0.006 0.000 2.451 171 A HA 0.330 4.650 4.320 0.001 0.000 0.266 171 A C -2.142 175.450 177.584 0.014 0.000 1.119 171 A CA -1.225 50.818 52.037 0.010 0.000 0.786 171 A CB -0.743 18.260 19.000 0.005 0.000 1.061 171 A HN 0.034 nan 8.150 nan 0.000 0.503 172 P HA 0.164 nan 4.420 nan 0.000 0.260 172 P C -0.862 176.455 177.300 0.027 0.000 1.207 172 P CA 0.691 63.806 63.100 0.026 0.000 0.780 172 P CB 0.139 31.861 31.700 0.038 0.000 0.789 173 L N 5.837 127.072 121.223 0.020 0.000 2.346 173 L HA 0.533 4.873 4.340 0.001 0.000 0.274 173 L C -1.605 175.275 176.870 0.017 0.000 1.007 173 L CA -2.088 52.763 54.840 0.017 0.000 0.818 173 L CB 1.340 43.404 42.059 0.008 0.000 1.284 173 L HN 0.222 nan 8.230 nan 0.000 0.424 174 P HA 0.418 nan 4.420 nan 0.000 0.286 174 P C -1.051 176.273 177.300 0.040 0.000 1.293 174 P CA -0.494 62.619 63.100 0.022 0.000 0.770 174 P CB 0.574 32.283 31.700 0.016 0.000 1.206 175 A N 0.006 122.854 122.820 0.047 0.000 2.311 175 A HA 0.348 4.669 4.320 0.001 0.000 0.334 175 A C 0.489 178.136 177.584 0.106 0.000 1.139 175 A CA -0.493 51.587 52.037 0.072 0.000 0.830 175 A CB 0.450 19.478 19.000 0.047 0.000 1.234 175 A HN 0.521 nan 8.150 nan 0.000 0.483 176 D N 0.126 120.637 120.400 0.185 0.000 2.323 176 D HA 0.324 4.964 4.640 0.001 0.000 0.209 176 D C 0.515 176.984 176.300 0.282 0.000 0.973 176 D CA 1.669 55.826 54.000 0.261 0.000 0.874 176 D CB 0.377 41.408 40.800 0.386 0.000 0.930 176 D HN 0.733 nan 8.370 nan 0.000 0.521 177 A N 0.092 123.002 122.820 0.150 0.000 2.605 177 A HA 0.622 4.943 4.320 0.001 0.000 0.294 177 A C -1.734 175.804 177.584 -0.077 0.000 1.062 177 A CA -0.633 51.419 52.037 0.026 0.000 0.682 177 A CB 1.014 19.935 19.000 -0.132 0.000 1.278 177 A HN 0.040 nan 8.150 nan 0.000 0.410 178 L N 1.111 122.311 121.223 -0.038 0.000 2.386 178 L HA 0.720 5.060 4.340 0.001 0.000 0.271 178 L C -1.049 175.780 176.870 -0.069 0.000 0.993 178 L CA -1.089 53.719 54.840 -0.053 0.000 0.819 178 L CB 2.190 44.245 42.059 -0.007 0.000 1.294 178 L HN 0.473 nan 8.230 nan 0.000 0.414 179 V N 1.655 121.515 119.914 -0.091 0.000 2.444 179 V HA 0.519 4.639 4.120 0.001 0.000 0.294 179 V C -0.456 175.578 176.094 -0.100 0.000 1.022 179 V CA -0.279 61.967 62.300 -0.090 0.000 0.850 179 V CB 1.892 33.652 31.823 -0.105 0.000 0.992 179 V HN 0.760 nan 8.190 nan 0.000 0.426 180 S N 3.697 119.339 115.700 -0.098 0.000 2.614 180 S HA 0.848 5.318 4.470 0.001 0.000 0.288 180 S C -0.694 173.832 174.600 -0.123 0.000 1.137 180 S CA -0.093 58.050 58.200 -0.096 0.000 0.992 180 S CB 1.433 64.592 63.200 -0.069 0.000 1.026 180 S HN 1.130 nan 8.310 nan 0.000 0.486 181 A N 3.251 125.993 122.820 -0.129 0.000 2.335 181 A HA 0.773 5.094 4.320 0.001 0.000 0.304 181 A C -0.244 177.309 177.584 -0.051 0.000 1.118 181 A CA -0.596 51.311 52.037 -0.216 0.000 0.757 181 A CB -0.204 18.694 19.000 -0.169 0.000 1.188 181 A HN 1.323 nan 8.150 nan 0.000 0.460 182 F N 0.512 120.478 119.950 0.027 0.000 3.074 182 F HA -0.306 4.222 4.527 0.001 0.000 0.287 182 F C 1.346 177.184 175.800 0.063 0.000 0.932 182 F CA 0.708 58.741 58.000 0.055 0.000 0.995 182 F CB -1.490 37.570 39.000 0.100 0.000 0.966 182 F HN 0.756 nan 8.300 nan 0.000 0.721 183 C N -0.470 118.936 119.300 0.176 0.000 2.662 183 C HA 0.214 4.674 4.460 0.001 0.000 0.307 183 C C 2.513 177.588 174.990 0.141 0.000 1.796 183 C CA 0.746 59.829 59.018 0.108 0.000 2.153 183 C CB -1.000 26.745 27.740 0.009 0.000 1.725 183 C HN 0.498 nan 8.230 nan 0.000 0.733 184 L N 2.517 123.836 121.223 0.161 0.000 1.976 184 L HA -0.199 4.142 4.340 0.001 0.000 0.223 184 L C 2.894 180.030 176.870 0.442 0.000 1.081 184 L CA 2.727 57.710 54.840 0.237 0.000 0.784 184 L CB -1.245 40.940 42.059 0.211 0.000 0.896 184 L HN 0.652 nan 8.230 nan 0.000 0.438 185 E N 1.127 121.624 120.200 0.496 0.000 2.153 185 E HA -0.224 4.127 4.350 0.001 0.000 0.194 185 E C 1.893 178.655 176.600 0.271 0.000 0.988 185 E CA 1.573 58.133 56.400 0.265 0.000 0.811 185 E CB -0.175 29.586 29.700 0.100 0.000 0.746 185 E HN 0.471 nan 8.360 nan 0.000 0.466 186 A N 1.312 124.320 122.820 0.314 0.000 2.206 186 A HA 0.101 4.421 4.320 0.001 0.000 0.211 186 A C 2.013 179.847 177.584 0.415 0.000 1.158 186 A CA 0.937 53.216 52.037 0.404 0.000 0.761 186 A CB -0.094 19.176 19.000 0.451 0.000 0.801 186 A HN 0.318 nan 8.150 nan 0.000 0.473 187 V N -4.360 115.724 119.914 0.284 0.000 3.330 187 V HA 0.360 4.481 4.120 0.001 0.000 0.309 187 V C 0.085 176.378 176.094 0.331 0.000 1.481 187 V CA 0.055 62.503 62.300 0.246 0.000 1.068 187 V CB -0.176 31.635 31.823 -0.019 0.000 0.935 187 V HN 0.141 nan 8.190 nan 0.000 0.453 188 S N 1.999 117.885 115.700 0.309 0.000 2.472 188 S HA 0.636 5.106 4.470 0.001 0.000 0.303 188 S C -2.140 172.575 174.600 0.192 0.000 1.099 188 S CA -0.792 57.592 58.200 0.307 0.000 1.077 188 S CB 2.049 65.467 63.200 0.363 0.000 1.031 188 S HN 0.210 nan 8.310 nan 0.000 0.487 189 P HA 0.101 nan 4.420 nan 0.000 0.226 189 P C -0.466 176.879 177.300 0.075 0.000 1.161 189 P CA 0.671 63.820 63.100 0.081 0.000 0.804 189 P CB 0.079 31.801 31.700 0.037 0.000 0.829 190 D N -3.796 116.656 120.400 0.087 0.000 2.596 190 D HA 0.161 4.801 4.640 0.001 0.000 0.262 190 D C 0.544 176.909 176.300 0.108 0.000 1.210 190 D CA -0.832 53.212 54.000 0.073 0.000 0.873 190 D CB 0.174 41.005 40.800 0.052 0.000 1.408 190 D HN -0.302 nan 8.370 nan 0.000 0.441 191 L N 0.792 122.064 121.223 0.081 0.000 1.990 191 L HA -0.115 4.226 4.340 0.001 0.000 0.213 191 L C 2.443 179.419 176.870 0.178 0.000 1.072 191 L CA 2.676 57.587 54.840 0.118 0.000 0.755 191 L CB -0.757 41.340 42.059 0.064 0.000 0.889 191 L HN 0.739 nan 8.230 nan 0.000 0.432 192 A N -1.800 121.083 122.820 0.106 0.000 1.927 192 A HA -0.327 3.994 4.320 0.001 0.000 0.220 192 A C 2.522 180.156 177.584 0.083 0.000 1.185 192 A CA 2.394 54.480 52.037 0.081 0.000 0.639 192 A CB -1.210 17.820 19.000 0.050 0.000 0.820 192 A HN 0.510 nan 8.150 nan 0.000 0.451 193 S N -1.938 113.823 115.700 0.102 0.000 2.382 193 S HA -0.139 4.331 4.470 0.001 0.000 0.228 193 S C 1.688 176.383 174.600 0.158 0.000 1.027 193 S CA 1.502 59.765 58.200 0.106 0.000 0.991 193 S CB -0.489 62.772 63.200 0.101 0.000 0.823 193 S HN 0.626 nan 8.310 nan 0.000 0.469 194 F N 2.138 122.114 119.950 0.044 0.000 2.259 194 F HA 0.039 4.567 4.527 0.001 0.000 0.298 194 F C 2.275 178.069 175.800 -0.010 0.000 1.088 194 F CA 1.717 59.735 58.000 0.030 0.000 1.358 194 F CB -0.546 38.478 39.000 0.040 0.000 1.040 194 F HN 0.241 nan 8.300 nan 0.000 0.505 195 Q N 0.860 120.676 119.800 0.026 0.000 2.119 195 Q HA -0.118 4.222 4.340 0.001 0.000 0.201 195 Q C 2.223 178.130 176.000 -0.154 0.000 0.972 195 Q CA 1.698 57.456 55.803 -0.075 0.000 0.847 195 Q CB -0.261 28.501 28.738 0.041 0.000 0.903 195 Q HN 0.401 nan 8.270 nan 0.000 0.433 196 R N -0.622 119.784 120.500 -0.157 0.000 2.062 196 R HA 0.082 4.423 4.340 0.001 0.000 0.229 196 R C 2.291 178.273 176.300 -0.531 0.000 1.128 196 R CA 0.954 56.892 56.100 -0.270 0.000 0.960 196 R CB -0.550 29.601 30.300 -0.248 0.000 0.855 196 R HN 0.321 nan 8.270 nan 0.000 0.432 197 A N 1.509 124.049 122.820 -0.466 0.000 1.958 197 A HA -0.213 4.107 4.320 0.001 0.000 0.221 197 A C 2.075 179.457 177.584 -0.337 0.000 1.178 197 A CA 1.377 53.146 52.037 -0.447 0.000 0.642 197 A CB -0.509 18.290 19.000 -0.335 0.000 0.816 197 A HN 0.250 nan 8.150 nan 0.000 0.453 198 L N -0.074 120.924 121.223 -0.375 0.000 2.056 198 L HA -0.125 4.215 4.340 0.001 0.000 0.207 198 L C 1.672 178.492 176.870 -0.082 0.000 1.078 198 L CA 2.490 57.166 54.840 -0.273 0.000 0.749 198 L CB -0.643 41.204 42.059 -0.353 0.000 0.901 198 L HN 0.336 nan 8.230 nan 0.000 0.433 199 D N -1.167 119.191 120.400 -0.070 0.000 2.117 199 D HA -0.205 4.435 4.640 0.001 0.000 0.197 199 D C 2.036 178.410 176.300 0.124 0.000 0.987 199 D CA 1.732 55.752 54.000 0.032 0.000 0.829 199 D CB -0.374 40.456 40.800 0.051 0.000 0.961 199 D HN 0.586 nan 8.370 nan 0.000 0.460 200 H N 0.538 119.583 119.070 -0.041 0.000 2.353 200 H HA -0.094 4.463 4.556 0.001 0.000 0.298 200 H C 2.383 177.691 175.328 -0.033 0.000 1.103 200 H CA 1.166 57.195 56.048 -0.033 0.000 1.293 200 H CB -0.045 29.696 29.762 -0.034 0.000 1.372 200 H HN 0.267 nan 8.280 nan 0.000 0.501 201 I N -1.377 119.246 120.570 0.089 0.000 2.761 201 I HA -0.055 4.116 4.170 0.001 0.000 0.261 201 I C 1.684 177.832 176.117 0.051 0.000 1.198 201 I CA 1.017 62.341 61.300 0.040 0.000 1.482 201 I CB -0.240 37.760 38.000 -0.000 0.000 1.100 201 I HN -0.058 nan 8.210 nan 0.000 0.445 202 T N 1.292 115.887 114.554 0.067 0.000 3.051 202 T HA -0.094 4.257 4.350 0.001 0.000 0.269 202 T C 1.856 176.556 174.700 -0.001 0.000 1.127 202 T CA 1.830 63.967 62.100 0.062 0.000 1.107 202 T CB -0.532 68.354 68.868 0.030 0.000 0.898 202 T HN 0.709 nan 8.240 nan 0.000 0.517 203 T N -0.168 114.391 114.554 0.008 0.000 3.088 203 T HA 0.182 4.533 4.350 0.001 0.000 0.259 203 T C 1.641 176.337 174.700 -0.008 0.000 1.122 203 T CA 0.233 62.327 62.100 -0.011 0.000 1.095 203 T CB -0.379 68.480 68.868 -0.015 0.000 0.930 203 T HN 0.357 nan 8.240 nan 0.000 0.508 204 L N -0.176 121.051 121.223 0.006 0.000 2.591 204 L HA 0.456 4.797 4.340 0.001 0.000 0.228 204 L C 0.407 177.287 176.870 0.015 0.000 1.133 204 L CA -0.204 54.641 54.840 0.008 0.000 0.880 204 L CB -0.075 41.990 42.059 0.010 0.000 1.033 204 L HN 0.248 nan 8.230 nan 0.000 0.450 205 L N 0.892 122.123 121.223 0.015 0.000 2.334 205 L HA 0.396 4.737 4.340 0.001 0.000 0.276 205 L C 0.414 177.282 176.870 -0.005 0.000 1.014 205 L CA -0.405 54.448 54.840 0.022 0.000 0.815 205 L CB 1.306 43.396 42.059 0.052 0.000 1.268 205 L HN 0.139 nan 8.230 nan 0.000 0.428 206 R N 5.051 125.555 120.500 0.005 0.000 2.539 206 R HA 0.520 4.861 4.340 0.001 0.000 0.275 206 R C -2.496 173.781 176.300 -0.039 0.000 1.077 206 R CA -1.472 54.621 56.100 -0.011 0.000 1.097 206 R CB -0.047 30.259 30.300 0.009 0.000 1.018 206 R HN 0.396 nan 8.270 nan 0.000 0.483 207 P HA -0.037 nan 4.420 nan 0.000 0.270 207 P C 0.479 177.732 177.300 -0.078 0.000 1.227 207 P CA 0.889 63.938 63.100 -0.085 0.000 0.788 207 P CB 0.478 32.132 31.700 -0.077 0.000 0.926 208 G N -0.163 108.573 108.800 -0.107 0.000 2.284 208 G HA2 -0.228 3.733 3.960 0.001 0.000 0.261 208 G HA3 -0.228 3.733 3.960 0.001 0.000 0.261 208 G C 0.669 175.431 174.900 -0.230 0.000 0.997 208 G CA 0.344 45.367 45.100 -0.128 0.000 0.621 208 G HN 0.920 nan 8.290 nan 0.000 0.534 209 G N -0.637 108.069 108.800 -0.157 0.000 2.684 209 G HA2 0.484 4.444 3.960 0.001 0.000 0.255 209 G HA3 0.484 4.444 3.960 0.001 0.000 0.255 209 G C -0.250 174.495 174.900 -0.259 0.000 1.219 209 G CA -0.025 44.996 45.100 -0.131 0.000 0.901 209 G HN 0.501 nan 8.290 nan 0.000 0.548 210 H N -1.172 118.003 119.070 0.176 0.000 2.679 210 H HA 0.513 5.069 4.556 0.001 0.000 0.367 210 H C -1.014 174.391 175.328 0.128 0.000 1.162 210 H CA -0.549 55.617 56.048 0.196 0.000 1.181 210 H CB 2.211 32.121 29.762 0.247 0.000 1.693 210 H HN 0.329 nan 8.280 nan 0.000 0.538 211 L N 3.132 124.496 121.223 0.235 0.000 2.404 211 L HA 0.275 4.615 4.340 0.001 0.000 0.272 211 L C -1.759 175.095 176.870 -0.027 0.000 0.980 211 L CA -0.624 54.238 54.840 0.036 0.000 0.836 211 L CB 1.077 43.046 42.059 -0.151 0.000 1.238 211 L HN 0.324 nan 8.230 nan 0.000 0.408 212 L N 6.257 127.436 121.223 -0.072 0.000 2.277 212 L HA 0.504 4.844 4.340 0.001 0.000 0.284 212 L C -0.685 176.094 176.870 -0.152 0.000 1.028 212 L CA -0.299 54.454 54.840 -0.145 0.000 0.835 212 L CB 1.013 43.044 42.059 -0.047 0.000 1.215 212 L HN 0.577 nan 8.230 nan 0.000 0.425 213 L N 5.342 126.420 121.223 -0.242 0.000 2.333 213 L HA 0.632 4.973 4.340 0.001 0.000 0.280 213 L C -0.597 176.163 176.870 -0.183 0.000 1.004 213 L CA 0.002 54.757 54.840 -0.141 0.000 0.820 213 L CB 1.559 43.596 42.059 -0.038 0.000 1.247 213 L HN 0.396 nan 8.230 nan 0.000 0.416 214 I N 4.319 124.717 120.570 -0.288 0.000 2.474 214 I HA 0.826 4.996 4.170 0.001 0.000 0.294 214 I C 0.329 175.842 176.117 -1.006 0.000 1.005 214 I CA -0.431 60.520 61.300 -0.582 0.000 1.113 214 I CB 1.974 39.723 38.000 -0.419 0.000 1.289 214 I HN 0.751 nan 8.210 nan 0.000 0.436 215 G N 3.290 111.085 108.800 -1.676 0.000 2.645 215 G HA2 0.711 4.672 3.960 0.001 0.000 0.292 215 G HA3 0.711 4.672 3.960 0.001 0.000 0.292 215 G C -1.765 172.880 174.900 -0.424 0.000 1.415 215 G CA -0.583 43.891 45.100 -1.042 0.000 0.785 215 G HN 0.731 nan 8.290 nan 0.000 0.483 216 A N -0.526 122.463 122.820 0.282 0.000 2.316 216 A HA 0.770 5.091 4.320 0.001 0.000 0.284 216 A C -0.335 177.451 177.584 0.337 0.000 1.115 216 A CA -0.348 51.900 52.037 0.350 0.000 0.812 216 A CB 0.532 19.694 19.000 0.270 0.000 1.064 216 A HN 0.626 nan 8.150 nan 0.000 0.489 217 L N 1.934 123.300 121.223 0.239 0.000 2.305 217 L HA 0.371 4.711 4.340 0.001 0.000 0.284 217 L C -0.141 176.768 176.870 0.066 0.000 1.013 217 L CA -0.448 54.496 54.840 0.173 0.000 0.819 217 L CB 1.264 43.425 42.059 0.171 0.000 1.227 217 L HN 0.880 nan 8.230 nan 0.000 0.417 218 E N 1.064 121.284 120.200 0.033 0.000 2.389 218 E HA -0.243 4.108 4.350 0.001 0.000 0.243 218 E C -0.124 176.473 176.600 -0.005 0.000 1.154 218 E CA 0.805 57.209 56.400 0.006 0.000 0.723 218 E CB -0.975 28.724 29.700 -0.003 0.000 1.261 218 E HN 0.731 nan 8.360 nan 0.000 0.390 219 E N 0.289 120.492 120.200 0.004 0.000 2.191 219 E HA 0.369 4.720 4.350 0.001 0.000 0.278 219 E C 0.707 177.314 176.600 0.013 0.000 0.972 219 E CA 0.354 56.732 56.400 -0.036 0.000 0.804 219 E CB 0.845 30.529 29.700 -0.027 0.000 1.110 219 E HN 0.109 nan 8.360 nan 0.000 0.394 220 S N 4.422 120.124 115.700 0.004 0.000 2.578 220 S HA 0.210 4.681 4.470 0.001 0.000 0.228 220 S C -0.155 174.598 174.600 0.255 0.000 1.022 220 S CA -0.760 57.520 58.200 0.134 0.000 0.967 220 S CB 0.096 63.408 63.200 0.187 0.000 0.914 220 S HN 0.598 nan 8.310 nan 0.000 0.515 221 W N 0.096 121.450 121.300 0.089 0.000 3.319 221 W HA 0.589 5.249 4.660 0.001 0.000 0.300 221 W C -2.401 174.206 176.519 0.147 0.000 1.244 221 W CA -1.554 55.825 57.345 0.057 0.000 1.193 221 W CB 0.023 29.476 29.460 -0.011 0.000 1.359 221 W HN 0.148 nan 8.180 nan 0.000 0.568 222 Y N 0.417 120.884 120.300 0.279 0.000 2.609 222 Y HA 0.791 5.341 4.550 0.001 0.000 0.336 222 Y C -1.795 174.289 175.900 0.306 0.000 1.129 222 Y CA -1.777 56.391 58.100 0.114 0.000 1.040 222 Y CB 1.087 39.541 38.460 -0.010 0.000 1.310 222 Y HN 0.432 nan 8.280 nan 0.000 0.460 223 L N 2.554 124.020 121.223 0.405 0.000 2.334 223 L HA 0.960 5.300 4.340 0.001 0.000 0.270 223 L C -0.359 176.639 176.870 0.212 0.000 1.018 223 L CA -1.280 53.689 54.840 0.215 0.000 0.811 223 L CB 2.111 44.294 42.059 0.207 0.000 1.271 223 L HN 0.966 nan 8.230 nan 0.000 0.443 224 A N 1.275 124.114 122.820 0.031 0.000 3.124 224 A HA 0.590 4.911 4.320 0.001 0.000 0.295 224 A C 0.218 177.716 177.584 -0.143 0.000 1.199 224 A CA 0.157 52.133 52.037 -0.102 0.000 0.845 224 A CB 0.221 18.965 19.000 -0.426 0.000 1.381 224 A HN 1.022 nan 8.150 nan 0.000 0.537 225 G N 1.465 110.225 108.800 -0.066 0.000 2.595 225 G HA2 -0.333 3.627 3.960 0.001 0.000 0.297 225 G HA3 -0.333 3.627 3.960 0.001 0.000 0.297 225 G C 0.804 175.683 174.900 -0.035 0.000 1.181 225 G CA 0.821 45.893 45.100 -0.047 0.000 0.963 225 G HN 0.649 nan 8.290 nan 0.000 0.541 226 E N 1.426 121.606 120.200 -0.033 0.000 2.318 226 E HA 0.449 4.799 4.350 0.001 0.000 0.193 226 E C 1.572 178.149 176.600 -0.037 0.000 0.998 226 E CA 0.325 56.709 56.400 -0.025 0.000 0.859 226 E CB 0.223 29.918 29.700 -0.008 0.000 0.812 226 E HN 0.784 nan 8.360 nan 0.000 0.492 227 A N 1.809 124.600 122.820 -0.049 0.000 2.386 227 A HA 0.278 4.598 4.320 0.001 0.000 0.248 227 A C 0.318 177.838 177.584 -0.106 0.000 1.082 227 A CA -0.079 51.915 52.037 -0.071 0.000 0.789 227 A CB 0.493 19.461 19.000 -0.054 0.000 1.025 227 A HN 0.004 nan 8.150 nan 0.000 0.490 228 R N 2.891 123.304 120.500 -0.146 0.000 2.625 228 R HA 0.284 4.625 4.340 0.001 0.000 0.286 228 R C -1.682 174.481 176.300 -0.228 0.000 1.406 228 R CA -0.455 55.555 56.100 -0.149 0.000 1.052 228 R CB 0.323 30.547 30.300 -0.125 0.000 1.203 228 R HN 0.616 nan 8.270 nan 0.000 0.502 229 L N 2.538 123.510 121.223 -0.419 0.000 2.375 229 L HA 0.465 4.805 4.340 0.001 0.000 0.271 229 L C 0.624 177.375 176.870 -0.198 0.000 1.107 229 L CA -0.223 54.327 54.840 -0.483 0.000 0.806 229 L CB 1.224 42.728 42.059 -0.925 0.000 1.146 229 L HN 0.372 nan 8.230 nan 0.000 0.447 230 T N 2.385 116.896 114.554 -0.072 0.000 2.749 230 T HA 0.543 4.894 4.350 0.001 0.000 0.287 230 T C 0.252 175.031 174.700 0.132 0.000 0.970 230 T CA -0.349 61.791 62.100 0.066 0.000 0.980 230 T CB 1.382 70.280 68.868 0.050 0.000 0.924 230 T HN 0.272 nan 8.240 nan 0.000 0.456 231 V N 3.266 123.290 119.914 0.184 0.000 2.834 231 V HA 0.535 4.656 4.120 0.001 0.000 0.313 231 V C 0.202 176.380 176.094 0.139 0.000 1.060 231 V CA -0.963 61.460 62.300 0.205 0.000 0.989 231 V CB 1.962 33.930 31.823 0.242 0.000 1.041 231 V HN 0.633 nan 8.190 nan 0.000 0.459 232 V N 5.092 125.074 119.914 0.114 0.000 2.364 232 V HA 0.466 4.586 4.120 0.001 0.000 0.272 232 V C -2.146 173.949 176.094 0.002 0.000 1.036 232 V CA -2.132 60.200 62.300 0.053 0.000 0.880 232 V CB 1.572 33.421 31.823 0.042 0.000 0.991 232 V HN 0.870 nan 8.190 nan 0.000 0.460 233 P HA 0.132 nan 4.420 nan 0.000 0.268 233 P C -0.383 176.878 177.300 -0.065 0.000 1.282 233 P CA 0.354 63.447 63.100 -0.012 0.000 0.880 233 P CB 0.769 32.475 31.700 0.009 0.000 0.971 234 V N 1.659 121.511 119.914 -0.103 0.000 2.732 234 V HA 0.796 4.917 4.120 0.001 0.000 0.310 234 V C 0.177 176.203 176.094 -0.115 0.000 1.053 234 V CA -0.926 61.267 62.300 -0.177 0.000 0.957 234 V CB 1.658 33.251 31.823 -0.385 0.000 1.018 234 V HN 0.573 nan 8.190 nan 0.000 0.452 235 S N 0.989 116.612 115.700 -0.128 0.000 2.621 235 S HA 0.446 4.916 4.470 0.001 0.000 0.302 235 S C 0.733 175.244 174.600 -0.148 0.000 1.093 235 S CA -0.010 58.135 58.200 -0.092 0.000 1.017 235 S CB 1.714 64.878 63.200 -0.060 0.000 1.077 235 S HN 0.978 nan 8.310 nan 0.000 0.517 236 E N 0.809 120.946 120.200 -0.105 0.000 2.097 236 E HA -0.284 4.066 4.350 0.001 0.000 0.196 236 E C 1.700 178.229 176.600 -0.120 0.000 1.000 236 E CA 1.751 58.073 56.400 -0.130 0.000 0.804 236 E CB -0.188 29.501 29.700 -0.019 0.000 0.740 236 E HN 0.894 nan 8.360 nan 0.000 0.454 237 E N 0.241 120.397 120.200 -0.073 0.000 2.077 237 E HA -0.225 4.126 4.350 0.001 0.000 0.193 237 E C 1.807 178.368 176.600 -0.065 0.000 0.989 237 E CA 1.458 57.826 56.400 -0.054 0.000 0.800 237 E CB 0.049 29.729 29.700 -0.033 0.000 0.746 237 E HN 0.351 nan 8.360 nan 0.000 0.452 238 E N -0.179 119.970 120.200 -0.084 0.000 2.152 238 E HA -0.116 4.235 4.350 0.001 0.000 0.192 238 E C 2.178 178.730 176.600 -0.079 0.000 0.983 238 E CA 0.904 57.261 56.400 -0.071 0.000 0.818 238 E CB 0.242 29.891 29.700 -0.085 0.000 0.758 238 E HN 0.159 nan 8.360 nan 0.000 0.467 239 V N 1.385 121.190 119.914 -0.182 0.000 2.379 239 V HA -0.241 3.880 4.120 0.001 0.000 0.245 239 V C 2.452 178.469 176.094 -0.128 0.000 1.044 239 V CA 1.865 64.032 62.300 -0.222 0.000 1.036 239 V CB -0.433 30.992 31.823 -0.664 0.000 0.664 239 V HN 0.191 nan 8.190 nan 0.000 0.453 240 R N 0.518 120.945 120.500 -0.122 0.000 2.082 240 R HA -0.220 4.121 4.340 0.001 0.000 0.234 240 R C 2.265 178.545 176.300 -0.032 0.000 1.136 240 R CA 2.272 58.331 56.100 -0.069 0.000 0.935 240 R CB -0.386 29.884 30.300 -0.050 0.000 0.842 240 R HN 0.593 nan 8.270 nan 0.000 0.430 241 E N -0.223 119.963 120.200 -0.022 0.000 2.171 241 E HA -0.233 4.117 4.350 0.001 0.000 0.197 241 E C 1.843 178.455 176.600 0.020 0.000 0.997 241 E CA 1.301 57.700 56.400 -0.001 0.000 0.810 241 E CB -0.126 29.573 29.700 -0.001 0.000 0.738 241 E HN 0.555 nan 8.360 nan 0.000 0.467 242 A N 0.665 123.507 122.820 0.037 0.000 1.970 242 A HA -0.032 4.289 4.320 0.001 0.000 0.216 242 A C 2.112 179.728 177.584 0.053 0.000 1.170 242 A CA 0.505 52.580 52.037 0.064 0.000 0.645 242 A CB -0.276 18.813 19.000 0.149 0.000 0.816 242 A HN 0.097 nan 8.150 nan 0.000 0.447 243 L N -0.692 120.550 121.223 0.032 0.000 2.027 243 L HA -0.141 4.199 4.340 0.001 0.000 0.206 243 L C 2.544 179.501 176.870 0.145 0.000 1.074 243 L CA 1.011 55.885 54.840 0.056 0.000 0.745 243 L CB -0.544 41.473 42.059 -0.070 0.000 0.898 243 L HN 0.230 nan 8.230 nan 0.000 0.433 244 V N -0.026 119.928 119.914 0.066 0.000 2.255 244 V HA -0.282 3.838 4.120 0.001 0.000 0.247 244 V C 2.080 178.200 176.094 0.043 0.000 1.051 244 V CA 1.704 64.034 62.300 0.050 0.000 1.018 244 V CB -0.592 31.241 31.823 0.018 0.000 0.641 244 V HN 0.416 nan 8.190 nan 0.000 0.445 245 R N -0.280 120.242 120.500 0.036 0.000 2.389 245 R HA 0.021 4.361 4.340 0.001 0.000 0.210 245 R C 1.465 177.780 176.300 0.025 0.000 1.157 245 R CA 0.719 56.834 56.100 0.024 0.000 1.169 245 R CB -0.187 30.126 30.300 0.022 0.000 1.004 245 R HN 0.387 nan 8.270 nan 0.000 0.482 246 S N -1.308 114.420 115.700 0.047 0.000 2.817 246 S HA 0.208 4.678 4.470 0.001 0.000 0.262 246 S C 0.678 175.221 174.600 -0.094 0.000 1.051 246 S CA 0.414 58.632 58.200 0.029 0.000 1.185 246 S CB 0.996 64.274 63.200 0.130 0.000 1.152 246 S HN 0.536 nan 8.310 nan 0.000 0.653 247 G N 1.019 109.763 108.800 -0.093 0.000 2.141 247 G HA2 -0.176 3.784 3.960 0.001 0.000 0.195 247 G HA3 -0.176 3.784 3.960 0.001 0.000 0.195 247 G C -0.458 174.256 174.900 -0.311 0.000 1.012 247 G CA -0.139 44.834 45.100 -0.211 0.000 0.696 247 G HN 0.458 nan 8.290 nan 0.000 0.508 248 Y N -0.533 119.731 120.300 -0.059 0.000 2.562 248 Y HA 0.718 5.269 4.550 0.001 0.000 0.343 248 Y C 0.432 176.282 175.900 -0.082 0.000 1.025 248 Y CA -1.121 56.935 58.100 -0.073 0.000 1.082 248 Y CB 1.709 40.127 38.460 -0.070 0.000 1.264 248 Y HN 0.043 nan 8.280 nan 0.000 0.478 249 K N 1.595 122.045 120.400 0.083 0.000 2.274 249 K HA 0.519 4.840 4.320 0.001 0.000 0.262 249 K C -1.518 175.038 176.600 -0.073 0.000 0.961 249 K CA -0.586 55.689 56.287 -0.020 0.000 0.833 249 K CB 1.212 33.672 32.500 -0.067 0.000 1.102 249 K HN 0.540 nan 8.250 nan 0.000 0.436 250 V N 6.766 126.632 119.914 -0.080 0.000 2.397 250 V HA 0.063 4.183 4.120 0.001 0.000 0.262 250 V C 1.377 177.360 176.094 -0.185 0.000 1.047 250 V CA -0.110 62.119 62.300 -0.118 0.000 1.003 250 V CB 0.580 32.362 31.823 -0.068 0.000 1.037 250 V HN 0.735 nan 8.190 nan 0.000 0.480 251 R N 2.227 122.517 120.500 -0.349 0.000 2.080 251 R HA 0.155 4.496 4.340 0.001 0.000 0.222 251 R C 0.306 176.491 176.300 -0.193 0.000 1.107 251 R CA 0.644 56.418 56.100 -0.543 0.000 0.980 251 R CB 0.040 29.412 30.300 -1.548 0.000 0.879 251 R HN 0.690 nan 8.270 nan 0.000 0.439 252 D N -1.020 119.382 120.400 0.004 0.000 2.753 252 D HA 0.372 5.012 4.640 0.001 0.000 0.224 252 D C -1.815 174.572 176.300 0.146 0.000 1.213 252 D CA -0.627 53.493 54.000 0.200 0.000 0.833 252 D CB 1.680 42.770 40.800 0.483 0.000 1.607 252 D HN -0.170 nan 8.370 nan 0.000 0.463 253 L N 2.540 123.869 121.223 0.177 0.000 2.528 253 L HA 0.565 4.906 4.340 0.001 0.000 0.267 253 L C -1.352 175.683 176.870 0.276 0.000 0.961 253 L CA -0.132 54.814 54.840 0.177 0.000 0.866 253 L CB 1.436 43.550 42.059 0.092 0.000 1.248 253 L HN 0.415 nan 8.230 nan 0.000 0.404 254 R N 2.157 122.910 120.500 0.422 0.000 2.854 254 R HA 0.891 5.231 4.340 0.001 0.000 0.271 254 R C -1.052 175.621 176.300 0.622 0.000 0.994 254 R CA -0.867 55.543 56.100 0.518 0.000 0.945 254 R CB 2.466 33.121 30.300 0.592 0.000 1.194 254 R HN 0.536 nan 8.270 nan 0.000 0.476 255 T N 1.332 116.191 114.554 0.508 0.000 2.881 255 T HA 0.259 4.610 4.350 0.001 0.000 0.290 255 T C -1.756 172.939 174.700 -0.008 0.000 1.000 255 T CA -0.560 61.709 62.100 0.281 0.000 0.978 255 T CB 0.913 69.870 68.868 0.149 0.000 0.997 255 T HN 0.399 nan 8.240 nan 0.000 0.443 256 Y N 3.697 123.637 120.300 -0.600 0.000 2.328 256 Y HA 0.644 5.195 4.550 0.001 0.000 0.337 256 Y C -0.827 174.799 175.900 -0.458 0.000 0.966 256 Y CA -1.263 56.252 58.100 -0.976 0.000 1.136 256 Y CB 0.539 37.863 38.460 -1.893 0.000 1.170 256 Y HN 0.587 nan 8.280 nan 0.000 0.470 257 I N 7.786 127.860 120.570 -0.827 0.000 2.301 257 I HA 0.137 4.308 4.170 0.001 0.000 0.292 257 I C -0.090 175.587 176.117 -0.733 0.000 1.046 257 I CA -0.577 60.392 61.300 -0.552 0.000 1.282 257 I CB 0.843 38.634 38.000 -0.349 0.000 1.409 257 I HN 0.661 nan 8.210 nan 0.000 0.484 258 M N 10.180 129.532 119.600 -0.413 0.000 2.408 258 M HA 0.117 4.598 4.480 0.001 0.000 0.363 258 M C -2.320 173.824 176.300 -0.260 0.000 1.636 258 M CA -1.108 54.039 55.300 -0.256 0.000 1.029 258 M CB -0.263 32.268 32.600 -0.115 0.000 2.068 258 M HN 0.171 nan 8.290 nan 0.000 0.466 259 P HA 0.243 nan 4.420 nan 0.000 0.279 259 P C -0.119 177.072 177.300 -0.183 0.000 1.239 259 P CA -0.181 62.802 63.100 -0.195 0.000 0.789 259 P CB 0.755 32.370 31.700 -0.141 0.000 0.933 260 A N 3.200 125.979 122.820 -0.068 0.000 1.954 260 A HA -0.280 4.040 4.320 0.001 0.000 0.222 260 A C 1.857 179.423 177.584 -0.031 0.000 1.199 260 A CA 2.210 54.226 52.037 -0.035 0.000 0.657 260 A CB -1.844 17.163 19.000 0.013 0.000 0.823 260 A HN 0.819 nan 8.150 nan 0.000 0.463 261 H N -1.122 117.925 119.070 -0.038 0.000 2.559 261 H HA 0.148 4.704 4.556 0.001 0.000 0.273 261 H C 1.252 176.556 175.328 -0.039 0.000 1.000 261 H CA 1.180 57.208 56.048 -0.034 0.000 1.195 261 H CB -0.407 29.337 29.762 -0.030 0.000 1.368 261 H HN 0.488 nan 8.280 nan 0.000 0.592 262 L N 0.542 121.488 121.223 -0.461 0.000 2.728 262 L HA 0.182 4.523 4.340 0.001 0.000 0.238 262 L C 0.193 176.941 176.870 -0.204 0.000 1.143 262 L CA 0.044 54.680 54.840 -0.340 0.000 0.937 262 L CB 0.302 42.129 42.059 -0.386 0.000 1.225 262 L HN 0.091 nan 8.230 nan 0.000 0.507 263 Q N 1.471 121.177 119.800 -0.156 0.000 2.566 263 Q HA 0.155 4.496 4.340 0.001 0.000 0.221 263 Q C 0.434 176.387 176.000 -0.079 0.000 1.195 263 Q CA -0.212 55.522 55.803 -0.116 0.000 0.967 263 Q CB 0.833 29.518 28.738 -0.090 0.000 1.337 263 Q HN 0.276 nan 8.270 nan 0.000 0.553 264 T N -2.741 111.760 114.554 -0.088 0.000 2.920 264 T HA 0.401 4.752 4.350 0.001 0.000 0.292 264 T C 1.187 175.877 174.700 -0.016 0.000 1.093 264 T CA -0.224 61.847 62.100 -0.049 0.000 0.944 264 T CB 0.686 69.517 68.868 -0.062 0.000 1.605 264 T HN 0.413 nan 8.240 nan 0.000 0.590 265 G N -0.137 108.675 108.800 0.021 0.000 2.985 265 G HA2 0.186 4.146 3.960 0.001 0.000 0.209 265 G HA3 0.186 4.146 3.960 0.001 0.000 0.209 265 G C 1.287 176.286 174.900 0.165 0.000 1.165 265 G CA 0.408 45.569 45.100 0.103 0.000 0.776 265 G HN 0.868 nan 8.290 nan 0.000 0.541 266 V N -1.209 118.729 119.914 0.041 0.000 3.217 266 V HA 0.250 4.370 4.120 0.001 0.000 0.264 266 V C 0.329 176.374 176.094 -0.083 0.000 1.135 266 V CA 0.998 63.324 62.300 0.044 0.000 1.142 266 V CB -0.635 31.156 31.823 -0.054 0.000 0.754 266 V HN 0.404 nan 8.190 nan 0.000 0.484 267 D N -0.762 119.383 120.400 -0.425 0.000 3.010 267 D HA 0.219 4.860 4.640 0.001 0.000 0.353 267 D C -0.835 174.835 176.300 -1.050 0.000 1.415 267 D CA 0.227 53.532 54.000 -1.158 0.000 0.864 267 D CB -0.111 40.337 40.800 -0.587 0.000 1.445 267 D HN 0.172 nan 8.370 nan 0.000 0.516 268 D N -0.333 119.456 120.400 -1.018 0.000 2.673 268 D HA 0.187 4.827 4.640 0.001 0.000 0.278 268 D C -0.271 175.846 176.300 -0.305 0.000 1.393 268 D CA -0.366 53.334 54.000 -0.501 0.000 0.805 268 D CB -0.116 40.469 40.800 -0.358 0.000 1.110 268 D HN 0.296 nan 8.370 nan 0.000 0.476 269 V N 1.265 121.003 119.914 -0.293 0.000 2.673 269 V HA 0.024 4.144 4.120 0.001 0.000 0.303 269 V C 0.934 176.958 176.094 -0.116 0.000 1.046 269 V CA 0.391 62.590 62.300 -0.168 0.000 1.126 269 V CB 1.038 32.764 31.823 -0.161 0.000 0.934 269 V HN 0.090 nan 8.190 nan 0.000 0.487 270 K N 4.767 125.127 120.400 -0.067 0.000 2.354 270 K HA 0.386 4.706 4.320 0.001 0.000 0.194 270 K C 0.459 177.021 176.600 -0.063 0.000 1.045 270 K CA 0.869 57.117 56.287 -0.065 0.000 1.026 270 K CB 0.979 33.451 32.500 -0.046 0.000 0.866 270 K HN 0.858 nan 8.250 nan 0.000 0.530 271 G N -0.011 108.778 108.800 -0.018 0.000 2.441 271 G HA2 0.427 4.387 3.960 0.001 0.000 0.294 271 G HA3 0.427 4.387 3.960 0.001 0.000 0.294 271 G C -1.773 173.185 174.900 0.097 0.000 1.393 271 G CA -0.594 44.505 45.100 -0.002 0.000 0.796 271 G HN -0.156 nan 8.290 nan 0.000 0.494 272 V N 0.300 120.271 119.914 0.096 0.000 2.789 272 V HA 0.763 4.884 4.120 0.001 0.000 0.311 272 V C -0.834 175.375 176.094 0.192 0.000 1.073 272 V CA -0.714 61.670 62.300 0.141 0.000 0.921 272 V CB 1.442 33.352 31.823 0.146 0.000 1.009 272 V HN 1.024 nan 8.190 nan 0.000 0.426 273 F N 2.972 123.079 119.950 0.261 0.000 2.561 273 F HA 0.905 5.432 4.527 0.001 0.000 0.321 273 F C -1.365 174.701 175.800 0.443 0.000 1.065 273 F CA -1.688 56.524 58.000 0.352 0.000 0.934 273 F CB 1.655 40.762 39.000 0.178 0.000 1.215 273 F HN 0.406 nan 8.300 nan 0.000 0.471 274 F N 2.489 122.748 119.950 0.515 0.000 2.539 274 F HA 0.838 5.365 4.527 0.001 0.000 0.318 274 F C -1.372 174.608 175.800 0.300 0.000 1.135 274 F CA -1.044 57.090 58.000 0.223 0.000 0.915 274 F CB 1.510 40.489 39.000 -0.035 0.000 1.176 274 F HN 0.959 nan 8.300 nan 0.000 0.440 275 A N 5.156 127.628 122.820 -0.579 0.000 2.356 275 A HA 0.591 4.912 4.320 0.001 0.000 0.310 275 A C -2.393 174.796 177.584 -0.659 0.000 1.075 275 A CA -0.466 51.325 52.037 -0.410 0.000 0.746 275 A CB 0.729 19.673 19.000 -0.093 0.000 1.221 275 A HN 0.838 nan 8.150 nan 0.000 0.443 276 W N 3.453 124.419 121.300 -0.556 0.000 2.299 276 W HA 0.669 5.330 4.660 0.000 0.000 0.319 276 W C -0.534 175.871 176.519 -0.189 0.000 1.008 276 W CA -1.317 55.808 57.345 -0.367 0.000 1.384 276 W CB 0.735 30.098 29.460 -0.162 0.000 1.220 276 W HN 0.919 nan 8.180 nan 0.000 0.402 277 A N 4.960 127.753 122.820 -0.044 0.000 2.350 277 A HA 0.655 4.975 4.320 0.001 0.000 0.324 277 A C -1.083 176.522 177.584 0.036 0.000 1.118 277 A CA -0.705 51.234 52.037 -0.164 0.000 0.783 277 A CB 1.569 20.304 19.000 -0.441 0.000 1.236 277 A HN 0.605 nan 8.150 nan 0.000 0.457 278 Q N 1.489 121.327 119.800 0.062 0.000 2.322 278 Q HA 0.388 4.729 4.340 0.001 0.000 0.265 278 Q C -0.622 175.474 176.000 0.161 0.000 0.985 278 Q CA -0.579 55.270 55.803 0.075 0.000 0.849 278 Q CB 1.147 29.831 28.738 -0.089 0.000 1.274 278 Q HN 0.667 nan 8.270 nan 0.000 0.449 279 K N 3.509 123.951 120.400 0.070 0.000 2.338 279 K HA 0.172 4.492 4.320 0.001 0.000 0.290 279 K C -0.611 175.890 176.600 -0.165 0.000 1.069 279 K CA -0.236 55.928 56.287 -0.205 0.000 0.941 279 K CB 0.686 33.029 32.500 -0.260 0.000 1.023 279 K HN 0.510 nan 8.250 nan 0.000 0.477 280 V N 0.000 119.818 119.914 -0.160 0.000 2.409 280 V HA 0.000 4.120 4.120 0.001 0.000 0.244 280 V CA 0.000 62.232 62.300 -0.114 0.000 1.235 280 V CB 0.000 31.772 31.823 -0.085 0.000 1.184 280 V HN 0.000 nan 8.190 nan 0.000 0.556