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 3otn_1_A DATA FIRST_RESID 36 DATA SEQUENCE KLTSKESALA LTNSAYLKNT VFNKXTPGWG CNTILLLEYX TGKATSENSQ DATA SEQUENCE SNYKDFQDLL VSDRSLYIED WWQDCYAGIA NCNLALQKLG EFENLDASLV DATA SEQUENCE NGYXAEVKFX RALYYFYLVR IFGDVPKITT VQSELGELQV SRAPVKEIYD DATA SEQUENCE EIIIPDLLEA EQSDLAFSDH TGRVSXGAVK ALLADVYLTY AGYPLQGGKS DATA SEQUENCE YYAESAKRSL EVIKSNEYTL FTDYESLRLP SQNNKGEFIY QVQFSLNKRH DATA SEQUENCE NESVRIFLPS RSGISAYDLE YGSLIPTKEF VESFEKGDKR TEEKQYFFTN DATA SEQUENCE YKGHPSKFSP GAAELEFXDL NGYYIYKFFD QVAVDNTAKS DLNWSVYRYT DATA SEQUENCE DVLLXYAEAQ VNADGTPNQQ SIDIVNQIRG RAGLAPFKQT NASAFLEEVW DATA SEQUENCE DQRYFDLCYE NKXWFDXLRT RKIRDDKSGE YVDFIGYKTN WGKVYTETQL DATA SEQUENCE LFPIPLSERQ ANPNLTQNQG Y 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 36 K HA 0.000 nan 4.320 nan 0.000 0.191 36 K C 0.000 176.614 176.600 0.024 0.000 0.988 36 K CA 0.000 56.297 56.287 0.017 0.000 0.838 36 K CB 0.000 32.508 32.500 0.013 0.000 1.064 37 L N 2.380 123.621 121.223 0.030 0.000 2.397 37 L HA 0.355 4.696 4.340 0.001 0.000 0.271 37 L C 1.448 178.352 176.870 0.056 0.000 1.148 37 L CA -0.045 54.821 54.840 0.042 0.000 0.825 37 L CB 1.012 43.102 42.059 0.050 0.000 1.117 37 L HN 0.479 nan 8.230 nan 0.000 0.456 38 T N -1.507 113.084 114.554 0.061 0.000 2.766 38 T HA 0.042 4.393 4.350 0.001 0.000 0.295 38 T C 1.339 176.116 174.700 0.127 0.000 1.024 38 T CA -0.232 61.915 62.100 0.078 0.000 1.018 38 T CB 1.115 70.022 68.868 0.066 0.000 1.002 38 T HN 0.744 nan 8.240 nan 0.000 0.532 39 S N 0.568 116.366 115.700 0.164 0.000 2.370 39 S HA -0.228 4.242 4.470 0.001 0.000 0.226 39 S C 1.919 176.668 174.600 0.248 0.000 1.033 39 S CA 1.282 59.667 58.200 0.309 0.000 1.011 39 S CB -0.654 62.737 63.200 0.318 0.000 0.852 39 S HN 0.840 nan 8.310 nan 0.000 0.457 40 K N 1.260 121.743 120.400 0.139 0.000 2.057 40 K HA -0.094 4.226 4.320 0.001 0.000 0.206 40 K C 2.182 178.827 176.600 0.076 0.000 1.050 40 K CA 1.457 57.806 56.287 0.104 0.000 0.935 40 K CB -0.189 32.368 32.500 0.095 0.000 0.715 40 K HN 0.564 nan 8.250 nan 0.000 0.439 41 E N -0.006 120.237 120.200 0.072 0.000 2.077 41 E HA -0.174 4.177 4.350 0.001 0.000 0.193 41 E C 2.041 178.664 176.600 0.037 0.000 0.989 41 E CA 1.324 57.747 56.400 0.040 0.000 0.800 41 E CB -0.051 29.673 29.700 0.040 0.000 0.746 41 E HN 0.224 nan 8.360 nan 0.000 0.452 42 S N 0.275 116.039 115.700 0.108 0.000 2.355 42 S HA -0.141 4.329 4.470 0.001 0.000 0.222 42 S C 2.112 176.787 174.600 0.125 0.000 1.031 42 S CA 1.122 59.421 58.200 0.166 0.000 0.993 42 S CB -0.173 63.202 63.200 0.293 0.000 0.859 42 S HN 0.328 nan 8.310 nan 0.000 0.453 43 A N 1.420 124.234 122.820 -0.010 0.000 1.902 43 A HA -0.021 4.299 4.320 0.001 0.000 0.217 43 A C 2.159 179.498 177.584 -0.409 0.000 1.181 43 A CA 1.709 53.536 52.037 -0.350 0.000 0.623 43 A CB -0.943 17.696 19.000 -0.603 0.000 0.818 43 A HN 0.569 nan 8.150 nan 0.000 0.443 44 L N -0.246 120.747 121.223 -0.383 0.000 2.046 44 L HA -0.055 4.286 4.340 0.001 0.000 0.208 44 L C 2.659 179.354 176.870 -0.292 0.000 1.077 44 L CA 2.169 56.702 54.840 -0.511 0.000 0.747 44 L CB -0.882 41.026 42.059 -0.252 0.000 0.896 44 L HN 0.348 nan 8.230 nan 0.000 0.432 45 A N -0.564 122.168 122.820 -0.146 0.000 1.902 45 A HA -0.173 4.147 4.320 0.001 0.000 0.217 45 A C 2.275 179.827 177.584 -0.053 0.000 1.181 45 A CA 1.960 53.952 52.037 -0.075 0.000 0.623 45 A CB -0.899 18.087 19.000 -0.023 0.000 0.818 45 A HN 0.490 nan 8.150 nan 0.000 0.443 46 L N -0.667 120.530 121.223 -0.043 0.000 2.012 46 L HA -0.196 4.145 4.340 0.001 0.000 0.210 46 L C 2.846 179.705 176.870 -0.018 0.000 1.073 46 L CA 1.902 56.741 54.840 -0.003 0.000 0.748 46 L CB -0.912 41.171 42.059 0.040 0.000 0.891 46 L HN 0.369 nan 8.230 nan 0.000 0.431 47 T N -0.711 113.772 114.554 -0.119 0.000 2.708 47 T HA -0.141 4.209 4.350 0.001 0.000 0.266 47 T C 1.696 176.457 174.700 0.102 0.000 1.037 47 T CA 1.410 63.469 62.100 -0.069 0.000 1.146 47 T CB -0.292 68.375 68.868 -0.335 0.000 0.865 47 T HN 0.276 nan 8.240 nan 0.000 0.435 48 N N 1.459 120.154 118.700 -0.007 0.000 2.289 48 N HA -0.082 4.658 4.740 0.001 0.000 0.184 48 N C 2.172 177.776 175.510 0.157 0.000 1.016 48 N CA 1.348 54.418 53.050 0.034 0.000 0.872 48 N CB -0.511 37.906 38.487 -0.116 0.000 0.973 48 N HN 0.564 nan 8.380 nan 0.000 0.433 49 S N 0.206 115.964 115.700 0.098 0.000 2.419 49 S HA -0.035 4.436 4.470 0.001 0.000 0.233 49 S C 2.020 176.704 174.600 0.140 0.000 1.016 49 S CA 0.993 59.246 58.200 0.089 0.000 0.974 49 S CB -0.270 62.960 63.200 0.050 0.000 0.786 49 S HN 0.317 nan 8.310 nan 0.000 0.492 50 A N 0.293 123.228 122.820 0.193 0.000 2.015 50 A HA 0.109 4.430 4.320 0.001 0.000 0.219 50 A C 1.809 179.521 177.584 0.213 0.000 1.163 50 A CA 1.003 53.151 52.037 0.184 0.000 0.646 50 A CB -0.881 18.187 19.000 0.114 0.000 0.806 50 A HN 0.647 nan 8.150 nan 0.000 0.448 51 Y N -0.106 120.275 120.300 0.134 0.000 2.516 51 Y HA 0.085 4.635 4.550 0.001 0.000 0.291 51 Y C 1.968 177.930 175.900 0.103 0.000 1.131 51 Y CA 0.385 58.575 58.100 0.150 0.000 1.281 51 Y CB -0.432 38.092 38.460 0.106 0.000 1.013 51 Y HN 0.178 nan 8.280 nan 0.000 0.554 52 L N -0.195 121.149 121.223 0.202 0.000 2.042 52 L HA -0.234 4.107 4.340 0.001 0.000 0.210 52 L C 1.924 178.801 176.870 0.013 0.000 1.076 52 L CA 1.391 56.276 54.840 0.075 0.000 0.749 52 L CB -0.347 41.729 42.059 0.028 0.000 0.893 52 L HN 0.039 nan 8.230 nan 0.000 0.432 53 K N 0.127 120.535 120.400 0.014 0.000 2.458 53 K HA 0.028 4.348 4.320 0.001 0.000 0.194 53 K C 1.167 177.696 176.600 -0.119 0.000 1.024 53 K CA 0.118 56.331 56.287 -0.123 0.000 1.108 53 K CB -0.234 32.081 32.500 -0.308 0.000 0.846 53 K HN 0.239 nan 8.250 nan 0.000 0.518 54 N N 0.763 119.479 118.700 0.026 0.000 2.430 54 N HA -0.128 4.612 4.740 0.001 0.000 0.186 54 N C 1.528 176.899 175.510 -0.231 0.000 1.032 54 N CA 1.454 54.472 53.050 -0.054 0.000 0.893 54 N CB -0.427 38.203 38.487 0.240 0.000 0.957 54 N HN 0.356 nan 8.380 nan 0.000 0.442 55 T N -2.480 111.936 114.554 -0.230 0.000 2.778 55 T HA -0.155 4.195 4.350 0.001 0.000 0.269 55 T C 1.953 176.417 174.700 -0.393 0.000 1.050 55 T CA 1.050 62.996 62.100 -0.256 0.000 1.137 55 T CB -0.855 67.891 68.868 -0.204 0.000 0.860 55 T HN 0.041 nan 8.240 nan 0.000 0.468 56 V N 0.444 119.995 119.914 -0.606 0.000 2.568 56 V HA -0.051 4.069 4.120 0.001 0.000 0.253 56 V C 1.976 177.468 176.094 -1.004 0.000 1.072 56 V CA 1.434 63.221 62.300 -0.855 0.000 1.084 56 V CB -0.990 30.277 31.823 -0.927 0.000 0.676 56 V HN 0.545 nan 8.190 nan 0.000 0.469 57 F N 0.239 119.938 119.950 -0.418 0.000 2.502 57 F HA 0.210 4.738 4.527 0.001 0.000 0.298 57 F C 1.154 176.821 175.800 -0.222 0.000 1.111 57 F CA 0.479 58.331 58.000 -0.248 0.000 1.445 57 F CB -0.262 38.729 39.000 -0.015 0.000 1.081 57 F HN 0.314 nan 8.300 nan 0.000 0.558 58 N N 0.656 119.242 118.700 -0.190 0.000 3.049 58 N HA 0.139 4.880 4.740 0.001 0.000 0.241 58 N C -1.188 174.216 175.510 -0.177 0.000 1.323 58 N CA -0.227 52.638 53.050 -0.309 0.000 0.824 58 N CB 0.864 39.098 38.487 -0.421 0.000 1.557 58 N HN 0.356 nan 8.380 nan 0.000 0.612 62 P HA 0.570 nan 4.420 nan 0.000 0.268 62 P C 0.538 177.817 177.300 -0.036 0.000 1.204 62 P CA 1.448 64.524 63.100 -0.041 0.000 0.768 62 P CB 0.211 31.885 31.700 -0.044 0.000 0.842 63 G N 1.291 110.086 108.800 -0.009 0.000 2.353 63 G HA2 0.035 3.995 3.960 0.001 0.000 0.615 63 G HA3 0.035 3.995 3.960 0.001 0.000 0.615 63 G C -2.186 172.750 174.900 0.059 0.000 1.280 63 G CA -1.048 44.068 45.100 0.025 0.000 1.000 63 G HN 0.469 nan 8.290 nan 0.000 0.516 64 W N 1.241 122.460 121.300 -0.135 0.000 2.349 64 W HA 0.561 5.222 4.660 0.000 0.000 0.309 64 W C 1.051 177.323 176.519 -0.410 0.000 1.083 64 W CA 0.427 57.643 57.345 -0.215 0.000 1.224 64 W CB 0.952 30.367 29.460 -0.076 0.000 1.256 64 W HN 2.329 nan 8.180 nan 0.000 0.461 65 G N 3.416 111.383 108.800 -1.389 0.000 2.249 65 G HA2 -0.290 3.670 3.960 0.001 0.000 0.273 65 G HA3 -0.290 3.670 3.960 0.001 0.000 0.273 65 G C -0.202 174.279 174.900 -0.699 0.000 1.036 65 G CA 0.104 44.200 45.100 -1.674 0.000 0.824 65 G HN 0.617 nan 8.290 nan 0.000 0.504 66 C N 0.525 119.568 119.300 -0.429 0.000 2.350 66 C HA 0.816 5.277 4.460 0.001 0.000 0.348 66 C C 0.436 175.309 174.990 -0.196 0.000 1.260 66 C CA -0.869 58.076 59.018 -0.122 0.000 1.966 66 C CB 1.222 29.007 27.740 0.076 0.000 2.380 66 C HN 0.675 nan 8.230 nan 0.000 0.535 67 N N 0.226 118.775 118.700 -0.253 0.000 2.405 67 N HA 0.160 4.900 4.740 0.001 0.000 0.274 67 N C 0.706 175.956 175.510 -0.433 0.000 1.170 67 N CA -0.028 52.817 53.050 -0.343 0.000 0.848 67 N CB 1.943 40.163 38.487 -0.444 0.000 1.629 67 N HN 0.691 nan 8.380 nan 0.000 0.481 68 T N 0.175 114.526 114.554 -0.338 0.000 2.778 68 T HA -0.167 4.183 4.350 0.001 0.000 0.269 68 T C 1.975 176.602 174.700 -0.120 0.000 1.050 68 T CA 1.603 63.539 62.100 -0.273 0.000 1.137 68 T CB -0.615 67.856 68.868 -0.662 0.000 0.860 68 T HN 0.656 nan 8.240 nan 0.000 0.468 69 I N -0.549 119.841 120.570 -0.301 0.000 2.567 69 I HA -0.023 4.148 4.170 0.001 0.000 0.257 69 I C 2.185 178.054 176.117 -0.413 0.000 1.184 69 I CA 1.190 62.343 61.300 -0.246 0.000 1.451 69 I CB -0.727 37.003 38.000 -0.450 0.000 1.089 69 I HN 0.171 nan 8.210 nan 0.000 0.441 70 L N 0.305 121.065 121.223 -0.772 0.000 2.201 70 L HA -0.144 4.196 4.340 0.001 0.000 0.212 70 L C 2.583 178.738 176.870 -1.191 0.000 1.105 70 L CA 0.703 54.818 54.840 -1.207 0.000 0.775 70 L CB -0.586 40.456 42.059 -1.695 0.000 0.913 70 L HN 0.340 nan 8.230 nan 0.000 0.440 71 L N 0.173 120.839 121.223 -0.928 0.000 2.042 71 L HA -0.204 4.137 4.340 0.001 0.000 0.210 71 L C 2.091 178.583 176.870 -0.631 0.000 1.076 71 L CA 1.867 56.274 54.840 -0.722 0.000 0.749 71 L CB -0.303 41.459 42.059 -0.495 0.000 0.893 71 L HN 0.171 nan 8.230 nan 0.000 0.432 72 L N -1.169 119.773 121.223 -0.469 0.000 2.591 72 L HA 0.073 4.414 4.340 0.001 0.000 0.228 72 L C 1.776 178.487 176.870 -0.264 0.000 1.133 72 L CA 0.002 54.614 54.840 -0.380 0.000 0.880 72 L CB -0.339 41.529 42.059 -0.319 0.000 1.033 72 L HN 0.239 nan 8.230 nan 0.000 0.450 73 E N -1.206 118.822 120.200 -0.287 0.000 2.413 73 E HA 0.102 4.452 4.350 0.001 0.000 0.203 73 E C 0.306 176.894 176.600 -0.020 0.000 0.957 73 E CA 0.106 56.443 56.400 -0.106 0.000 0.950 73 E CB 0.355 30.033 29.700 -0.036 0.000 0.957 73 E HN 0.162 nan 8.360 nan 0.000 0.497 77 G N 2.271 111.330 108.800 0.432 0.000 2.162 77 G HA2 -0.263 3.698 3.960 0.001 0.000 0.260 77 G HA3 -0.263 3.698 3.960 0.001 0.000 0.260 77 G C 0.632 175.803 174.900 0.452 0.000 0.976 77 G CA 0.611 46.044 45.100 0.556 0.000 0.655 77 G HN 0.665 nan 8.290 nan 0.000 0.533 78 K N -0.293 120.291 120.400 0.307 0.000 2.387 78 K HA 0.660 4.980 4.320 0.001 0.000 0.203 78 K C 0.674 177.505 176.600 0.386 0.000 1.030 78 K CA 0.782 57.215 56.287 0.243 0.000 1.099 78 K CB 1.174 33.580 32.500 -0.156 0.000 0.863 78 K HN 1.078 nan 8.250 nan 0.000 0.529 79 A N 0.927 123.950 122.820 0.337 0.000 2.515 79 A HA 0.650 4.970 4.320 0.001 0.000 0.298 79 A C -0.102 177.408 177.584 -0.124 0.000 1.059 79 A CA -0.448 51.705 52.037 0.193 0.000 0.698 79 A CB 1.339 20.476 19.000 0.230 0.000 1.289 79 A HN 0.138 nan 8.150 nan 0.000 0.404 80 T N -1.656 112.722 114.554 -0.294 0.000 2.676 80 T HA 0.849 5.199 4.350 0.001 0.000 0.269 80 T C -0.060 174.285 174.700 -0.592 0.000 0.952 80 T CA -0.313 61.285 62.100 -0.837 0.000 1.040 80 T CB 1.461 70.141 68.868 -0.314 0.000 1.352 80 T HN 1.473 nan 8.240 nan 0.000 0.554 81 S N -1.349 114.057 115.700 -0.490 0.000 2.541 81 S HA 0.402 4.872 4.470 0.001 0.000 0.280 81 S C -0.103 174.490 174.600 -0.012 0.000 1.112 81 S CA -0.638 57.465 58.200 -0.162 0.000 0.925 81 S CB 1.776 64.910 63.200 -0.110 0.000 1.067 81 S HN 0.756 nan 8.310 nan 0.000 0.479 82 E N 1.679 121.920 120.200 0.067 0.000 2.479 82 E HA 0.089 4.440 4.350 0.001 0.000 0.193 82 E C -0.315 176.385 176.600 0.167 0.000 1.049 82 E CA -0.036 56.438 56.400 0.124 0.000 0.870 82 E CB 0.216 30.019 29.700 0.171 0.000 0.944 82 E HN 0.448 nan 8.360 nan 0.000 0.492 83 N N 0.482 119.283 118.700 0.168 0.000 2.501 83 N HA -0.006 4.735 4.740 0.001 0.000 0.245 83 N C 0.670 176.303 175.510 0.206 0.000 0.974 83 N CA -0.169 53.036 53.050 0.258 0.000 0.941 83 N CB 1.206 39.812 38.487 0.198 0.000 1.122 83 N HN -0.110 nan 8.380 nan 0.000 0.507 84 S N 2.894 118.707 115.700 0.189 0.000 2.419 84 S HA -0.151 4.319 4.470 0.001 0.000 0.233 84 S C 1.139 175.813 174.600 0.123 0.000 1.016 84 S CA 0.804 59.079 58.200 0.124 0.000 0.974 84 S CB -0.128 63.122 63.200 0.083 0.000 0.786 84 S HN 0.603 nan 8.310 nan 0.000 0.492 85 Q N 1.531 121.433 119.800 0.171 0.000 2.451 85 Q HA 0.116 4.456 4.340 0.001 0.000 0.206 85 Q C 2.131 178.218 176.000 0.145 0.000 0.947 85 Q CA 1.033 56.924 55.803 0.147 0.000 0.937 85 Q CB -0.347 28.511 28.738 0.200 0.000 1.025 85 Q HN 0.864 nan 8.270 nan 0.000 0.511 86 S N 0.407 116.219 115.700 0.187 0.000 2.561 86 S HA -0.065 4.405 4.470 0.001 0.000 0.225 86 S C 0.914 175.742 174.600 0.380 0.000 0.977 86 S CA 0.514 58.880 58.200 0.278 0.000 0.926 86 S CB -0.142 63.247 63.200 0.315 0.000 0.769 86 S HN 0.383 nan 8.310 nan 0.000 0.533 87 N N -0.274 118.567 118.700 0.235 0.000 2.741 87 N HA -0.270 4.471 4.740 0.001 0.000 0.251 87 N C 0.149 175.872 175.510 0.354 0.000 1.112 87 N CA 0.946 54.131 53.050 0.225 0.000 0.750 87 N CB -2.358 36.230 38.487 0.169 0.000 1.119 87 N HN 0.623 nan 8.380 nan 0.000 0.561 88 Y N 0.208 120.528 120.300 0.032 0.000 2.193 88 Y HA -0.210 4.341 4.550 0.001 0.000 0.285 88 Y C 2.308 178.148 175.900 -0.100 0.000 1.166 88 Y CA 3.334 61.209 58.100 -0.376 0.000 1.181 88 Y CB -0.823 37.179 38.460 -0.763 0.000 0.976 88 Y HN 0.377 nan 8.280 nan 0.000 0.520 89 K N 0.265 120.530 120.400 -0.226 0.000 2.059 89 K HA -0.261 4.059 4.320 0.001 0.000 0.212 89 K C 1.816 178.235 176.600 -0.301 0.000 1.050 89 K CA 2.189 58.291 56.287 -0.308 0.000 0.927 89 K CB -1.476 30.935 32.500 -0.149 0.000 0.714 89 K HN 0.519 nan 8.250 nan 0.000 0.447 90 D N -0.504 119.766 120.400 -0.217 0.000 2.133 90 D HA -0.095 4.545 4.640 0.001 0.000 0.195 90 D C 1.745 177.812 176.300 -0.389 0.000 0.997 90 D CA 1.465 55.275 54.000 -0.318 0.000 0.840 90 D CB -0.344 40.179 40.800 -0.461 0.000 0.947 90 D HN 0.564 nan 8.370 nan 0.000 0.452 91 F N 0.502 120.309 119.950 -0.238 0.000 2.128 91 F HA -0.039 4.488 4.527 0.001 0.000 0.295 91 F C 2.655 178.244 175.800 -0.353 0.000 1.100 91 F CA 0.708 58.588 58.000 -0.201 0.000 1.260 91 F CB -0.652 38.305 39.000 -0.072 0.000 1.009 91 F HN -0.081 nan 8.300 nan 0.000 0.476 92 Q N 0.314 119.734 119.800 -0.633 0.000 2.135 92 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 92 Q C 0.992 176.840 176.000 -0.253 0.000 0.981 92 Q CA 1.843 57.261 55.803 -0.642 0.000 0.856 92 Q CB -0.101 27.968 28.738 -1.115 0.000 0.902 92 Q HN 0.287 nan 8.270 nan 0.000 0.425 93 D N -0.501 119.760 120.400 -0.231 0.000 2.340 93 D HA 0.021 4.662 4.640 0.001 0.000 0.220 93 D C -0.011 176.255 176.300 -0.058 0.000 1.039 93 D CA 0.093 54.024 54.000 -0.115 0.000 0.866 93 D CB 0.288 41.012 40.800 -0.127 0.000 0.913 93 D HN 0.139 nan 8.370 nan 0.000 0.523 94 L N 0.091 121.280 121.223 -0.057 0.000 3.660 94 L HA -0.225 4.116 4.340 0.001 0.000 0.440 94 L C 0.270 177.109 176.870 -0.053 0.000 1.262 94 L CA 0.501 55.318 54.840 -0.039 0.000 0.837 94 L CB -1.287 40.781 42.059 0.015 0.000 1.689 94 L HN 0.189 nan 8.230 nan 0.000 0.890 95 L N -1.700 119.465 121.223 -0.096 0.000 3.168 95 L HA 0.271 4.611 4.340 0.001 0.000 0.277 95 L C 0.623 177.424 176.870 -0.115 0.000 1.245 95 L CA -0.628 54.162 54.840 -0.084 0.000 1.035 95 L CB 0.597 42.600 42.059 -0.093 0.000 1.399 95 L HN -0.002 nan 8.230 nan 0.000 0.580 96 V N 1.286 121.108 119.914 -0.153 0.000 2.720 96 V HA 0.003 4.124 4.120 0.001 0.000 0.307 96 V C 0.816 176.913 176.094 0.005 0.000 1.071 96 V CA 0.601 62.781 62.300 -0.200 0.000 1.199 96 V CB 0.793 32.508 31.823 -0.179 0.000 0.900 96 V HN 0.635 nan 8.190 nan 0.000 0.494 97 S N 1.925 117.567 115.700 -0.095 0.000 2.732 97 S HA 0.425 4.895 4.470 0.001 0.000 0.293 97 S C 0.467 174.989 174.600 -0.131 0.000 1.159 97 S CA -0.168 58.010 58.200 -0.037 0.000 0.847 97 S CB 1.724 64.908 63.200 -0.027 0.000 1.169 97 S HN 0.715 nan 8.310 nan 0.000 0.501 98 D N 0.123 120.467 120.400 -0.092 0.000 2.350 98 D HA -0.073 4.568 4.640 0.001 0.000 0.216 98 D C 1.243 177.485 176.300 -0.097 0.000 0.968 98 D CA 0.705 54.639 54.000 -0.109 0.000 0.894 98 D CB -0.323 40.428 40.800 -0.081 0.000 0.909 98 D HN 0.558 nan 8.370 nan 0.000 0.520 99 R N -0.004 120.443 120.500 -0.089 0.000 2.334 99 R HA 0.231 4.571 4.340 0.001 0.000 0.216 99 R C 0.334 176.570 176.300 -0.106 0.000 0.905 99 R CA -0.161 55.886 56.100 -0.088 0.000 1.064 99 R CB 0.347 30.602 30.300 -0.076 0.000 1.046 99 R HN -0.033 nan 8.270 nan 0.000 0.508 100 S N 1.107 116.732 115.700 -0.126 0.000 2.576 100 S HA 0.094 4.564 4.470 0.001 0.000 0.272 100 S C 0.592 175.109 174.600 -0.140 0.000 1.352 100 S CA -0.273 57.835 58.200 -0.154 0.000 1.021 100 S CB 0.589 63.651 63.200 -0.231 0.000 0.887 100 S HN 0.140 nan 8.310 nan 0.000 0.542 101 L N 1.817 122.901 121.223 -0.232 0.000 2.474 101 L HA 0.117 4.457 4.340 0.001 0.000 0.259 101 L C 0.738 177.336 176.870 -0.452 0.000 1.232 101 L CA -0.025 54.503 54.840 -0.520 0.000 0.821 101 L CB -0.290 41.154 42.059 -1.026 0.000 1.108 101 L HN 0.885 nan 8.230 nan 0.000 0.495 102 Y N -1.574 118.782 120.300 0.095 0.000 2.865 102 Y HA -0.395 4.156 4.550 0.001 0.000 0.480 102 Y C 1.690 177.755 175.900 0.275 0.000 1.252 102 Y CA 1.162 59.345 58.100 0.139 0.000 2.596 102 Y CB -1.933 36.591 38.460 0.107 0.000 0.917 102 Y HN 0.575 nan 8.280 nan 0.000 0.522 103 I N -0.873 119.891 120.570 0.325 0.000 2.264 103 I HA -0.213 3.958 4.170 0.001 0.000 0.248 103 I C 2.193 178.577 176.117 0.445 0.000 1.111 103 I CA 2.450 64.010 61.300 0.433 0.000 1.382 103 I CB -0.452 37.749 38.000 0.336 0.000 1.060 103 I HN 0.505 nan 8.210 nan 0.000 0.418 104 E N 1.757 122.091 120.200 0.224 0.000 2.077 104 E HA -0.244 4.106 4.350 0.001 0.000 0.193 104 E C 1.758 178.482 176.600 0.207 0.000 0.989 104 E CA 1.744 58.237 56.400 0.155 0.000 0.800 104 E CB -0.047 29.677 29.700 0.041 0.000 0.746 104 E HN 0.589 nan 8.360 nan 0.000 0.452 105 D N -0.403 120.098 120.400 0.169 0.000 2.117 105 D HA -0.172 4.468 4.640 0.001 0.000 0.198 105 D C 1.649 177.993 176.300 0.073 0.000 0.982 105 D CA 0.987 55.017 54.000 0.051 0.000 0.828 105 D CB -0.347 40.423 40.800 -0.050 0.000 0.967 105 D HN 0.378 nan 8.370 nan 0.000 0.464 106 W N 1.079 122.489 121.300 0.183 0.000 2.355 106 W HA -0.117 4.544 4.660 0.001 0.000 0.309 106 W C 2.468 179.158 176.519 0.284 0.000 1.206 106 W CA 0.327 57.810 57.345 0.230 0.000 1.284 106 W CB -0.520 29.147 29.460 0.344 0.000 1.145 106 W HN 0.116 nan 8.180 nan 0.000 0.502 107 W N 1.131 122.665 121.300 0.390 0.000 2.378 107 W HA -0.214 4.446 4.660 0.001 0.000 0.313 107 W C 1.868 178.457 176.519 0.117 0.000 1.197 107 W CA 1.990 59.423 57.345 0.147 0.000 1.304 107 W CB -0.763 28.636 29.460 -0.101 0.000 1.148 107 W HN 0.048 nan 8.180 nan 0.000 0.494 108 Q N -0.176 119.831 119.800 0.345 0.000 2.084 108 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 108 Q C 1.681 177.673 176.000 -0.013 0.000 0.978 108 Q CA 1.898 57.806 55.803 0.176 0.000 0.844 108 Q CB -0.326 28.485 28.738 0.122 0.000 0.898 108 Q HN 0.147 nan 8.270 nan 0.000 0.426 109 D N -0.264 120.085 120.400 -0.084 0.000 2.162 109 D HA -0.072 4.569 4.640 0.001 0.000 0.203 109 D C 1.912 177.973 176.300 -0.398 0.000 0.967 109 D CA 0.589 54.446 54.000 -0.238 0.000 0.840 109 D CB -0.319 40.301 40.800 -0.301 0.000 0.972 109 D HN 0.221 nan 8.370 nan 0.000 0.482 110 C N 0.392 119.478 119.300 -0.357 0.000 2.413 110 C HA -0.175 4.286 4.460 0.001 0.000 0.276 110 C C 2.497 177.031 174.990 -0.760 0.000 1.236 110 C CA 0.372 59.055 59.018 -0.560 0.000 1.735 110 C CB -1.144 26.419 27.740 -0.296 0.000 2.031 110 C HN 0.344 nan 8.230 nan 0.000 0.474 111 Y N 1.265 121.273 120.300 -0.487 0.000 2.242 111 Y HA -0.063 4.487 4.550 0.001 0.000 0.291 111 Y C 2.600 178.288 175.900 -0.353 0.000 1.137 111 Y CA 1.312 59.141 58.100 -0.453 0.000 1.181 111 Y CB -0.859 37.339 38.460 -0.436 0.000 0.989 111 Y HN 0.283 nan 8.280 nan 0.000 0.527 112 A N -0.076 122.626 122.820 -0.197 0.000 1.902 112 A HA -0.135 4.185 4.320 0.001 0.000 0.217 112 A C 2.612 180.022 177.584 -0.291 0.000 1.181 112 A CA 1.801 53.724 52.037 -0.190 0.000 0.623 112 A CB -1.492 17.409 19.000 -0.165 0.000 0.818 112 A HN 0.462 nan 8.150 nan 0.000 0.443 113 G N 0.005 108.465 108.800 -0.568 0.000 2.440 113 G HA2 -0.216 3.744 3.960 0.001 0.000 0.218 113 G HA3 -0.216 3.744 3.960 0.001 0.000 0.218 113 G C 1.518 176.146 174.900 -0.455 0.000 1.154 113 G CA 1.195 45.825 45.100 -0.783 0.000 0.767 113 G HN 0.480 nan 8.290 nan 0.000 0.552 114 I N 1.362 121.646 120.570 -0.477 0.000 2.226 114 I HA -0.149 4.022 4.170 0.001 0.000 0.245 114 I C 3.259 179.343 176.117 -0.056 0.000 1.100 114 I CA 0.975 62.155 61.300 -0.200 0.000 1.374 114 I CB -0.141 37.635 38.000 -0.373 0.000 1.057 114 I HN 0.239 nan 8.210 nan 0.000 0.413 115 A N 0.834 123.614 122.820 -0.067 0.000 1.902 115 A HA -0.213 4.107 4.320 0.001 0.000 0.217 115 A C 2.083 179.664 177.584 -0.006 0.000 1.181 115 A CA 1.847 53.876 52.037 -0.013 0.000 0.623 115 A CB -0.659 18.331 19.000 -0.018 0.000 0.818 115 A HN 0.411 nan 8.150 nan 0.000 0.443 116 N N 0.103 118.786 118.700 -0.029 0.000 2.104 116 N HA -0.156 4.584 4.740 0.001 0.000 0.190 116 N C 1.781 177.317 175.510 0.044 0.000 1.024 116 N CA 1.760 54.813 53.050 0.006 0.000 0.853 116 N CB -0.856 37.634 38.487 0.004 0.000 1.008 116 N HN 0.550 nan 8.380 nan 0.000 0.424 117 C N 1.251 120.586 119.300 0.059 0.000 2.429 117 C HA -0.000 4.460 4.460 0.001 0.000 0.277 117 C C 2.427 177.464 174.990 0.079 0.000 1.262 117 C CA 0.180 59.251 59.018 0.087 0.000 1.733 117 C CB -1.158 26.653 27.740 0.119 0.000 2.010 117 C HN 0.463 nan 8.230 nan 0.000 0.483 118 N N 1.086 119.830 118.700 0.073 0.000 2.120 118 N HA -0.097 4.644 4.740 0.001 0.000 0.188 118 N C 1.503 177.052 175.510 0.064 0.000 1.024 118 N CA 0.980 54.074 53.050 0.073 0.000 0.852 118 N CB -0.623 37.909 38.487 0.075 0.000 1.003 118 N HN 0.365 nan 8.380 nan 0.000 0.424 119 L N 1.120 122.376 121.223 0.055 0.000 2.072 119 L HA 0.088 4.429 4.340 0.001 0.000 0.205 119 L C 2.098 179.009 176.870 0.069 0.000 1.079 119 L CA 1.317 56.189 54.840 0.054 0.000 0.752 119 L CB -1.095 40.988 42.059 0.041 0.000 0.906 119 L HN 0.113 nan 8.230 nan 0.000 0.436 120 A N -0.374 122.488 122.820 0.071 0.000 1.883 120 A HA -0.216 4.104 4.320 0.001 0.000 0.217 120 A C 2.282 179.924 177.584 0.097 0.000 1.186 120 A CA 2.221 54.308 52.037 0.083 0.000 0.624 120 A CB -0.967 18.078 19.000 0.075 0.000 0.822 120 A HN 0.496 nan 8.150 nan 0.000 0.444 121 L N -0.993 120.283 121.223 0.088 0.000 2.093 121 L HA -0.217 4.123 4.340 0.001 0.000 0.208 121 L C 2.901 179.828 176.870 0.094 0.000 1.085 121 L CA 1.672 56.566 54.840 0.090 0.000 0.755 121 L CB -0.474 41.632 42.059 0.078 0.000 0.904 121 L HN 0.605 nan 8.230 nan 0.000 0.435 122 Q N 0.183 120.034 119.800 0.085 0.000 2.050 122 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 122 Q C 2.131 178.190 176.000 0.098 0.000 0.980 122 Q CA 1.318 57.167 55.803 0.078 0.000 0.840 122 Q CB 0.215 28.989 28.738 0.060 0.000 0.898 122 Q HN 0.297 nan 8.270 nan 0.000 0.424 123 K N 0.519 120.989 120.400 0.118 0.000 2.062 123 K HA -0.068 4.252 4.320 0.001 0.000 0.205 123 K C 2.208 178.996 176.600 0.314 0.000 1.051 123 K CA 0.698 57.081 56.287 0.160 0.000 0.941 123 K CB -0.388 32.206 32.500 0.155 0.000 0.719 123 K HN 0.298 nan 8.250 nan 0.000 0.440 124 L N 0.346 121.747 121.223 0.297 0.000 2.127 124 L HA -0.137 4.203 4.340 0.001 0.000 0.211 124 L C 2.348 179.408 176.870 0.318 0.000 1.089 124 L CA 1.456 56.487 54.840 0.318 0.000 0.757 124 L CB -0.776 41.365 42.059 0.138 0.000 0.899 124 L HN 0.271 nan 8.230 nan 0.000 0.434 125 G N -0.832 108.091 108.800 0.206 0.000 2.598 125 G HA2 -0.160 3.800 3.960 0.001 0.000 0.215 125 G HA3 -0.160 3.800 3.960 0.001 0.000 0.215 125 G C 1.296 176.282 174.900 0.144 0.000 1.131 125 G CA 0.188 45.378 45.100 0.151 0.000 0.785 125 G HN 0.447 nan 8.290 nan 0.000 0.539 126 E N -0.690 119.602 120.200 0.153 0.000 2.479 126 E HA 0.144 4.494 4.350 0.001 0.000 0.193 126 E C -0.405 176.195 176.600 0.001 0.000 1.049 126 E CA -0.575 55.853 56.400 0.048 0.000 0.870 126 E CB 0.193 29.877 29.700 -0.027 0.000 0.944 126 E HN 0.359 nan 8.360 nan 0.000 0.492 127 F N 1.747 121.721 119.950 0.039 0.000 2.506 127 F HA 0.061 4.588 4.527 0.001 0.000 0.371 127 F C 1.450 177.269 175.800 0.033 0.000 1.078 127 F CA 0.397 58.422 58.000 0.041 0.000 1.195 127 F CB 0.693 39.727 39.000 0.057 0.000 1.099 127 F HN -0.058 nan 8.300 nan 0.000 0.548 128 E N 1.631 121.913 120.200 0.136 0.000 2.228 128 E HA -0.025 4.325 4.350 0.001 0.000 0.197 128 E C 1.973 178.630 176.600 0.094 0.000 0.909 128 E CA 0.753 57.209 56.400 0.093 0.000 0.911 128 E CB -0.115 29.610 29.700 0.043 0.000 0.887 128 E HN 0.713 nan 8.360 nan 0.000 0.481 129 N N 1.384 120.142 118.700 0.097 0.000 2.409 129 N HA 0.000 4.741 4.740 0.001 0.000 0.179 129 N C 0.978 176.545 175.510 0.095 0.000 1.032 129 N CA 0.335 53.434 53.050 0.081 0.000 0.898 129 N CB -0.013 38.513 38.487 0.065 0.000 0.971 129 N HN -0.096 nan 8.380 nan 0.000 0.441 130 L N 1.625 122.937 121.223 0.148 0.000 2.397 130 L HA 0.263 4.603 4.340 0.001 0.000 0.271 130 L C 0.024 176.925 176.870 0.052 0.000 1.148 130 L CA -0.656 54.252 54.840 0.113 0.000 0.825 130 L CB 0.775 42.927 42.059 0.155 0.000 1.117 130 L HN 0.386 nan 8.230 nan 0.000 0.456 131 D N 3.168 123.576 120.400 0.012 0.000 2.658 131 D HA 0.001 4.641 4.640 0.001 0.000 0.230 131 D C 1.084 177.362 176.300 -0.037 0.000 1.118 131 D CA 1.032 55.022 54.000 -0.017 0.000 0.848 131 D CB 1.027 41.803 40.800 -0.040 0.000 1.160 131 D HN 0.753 nan 8.370 nan 0.000 0.497 132 A N 3.307 126.115 122.820 -0.021 0.000 1.930 132 A HA -0.155 4.165 4.320 0.001 0.000 0.217 132 A C 2.238 179.789 177.584 -0.054 0.000 1.175 132 A CA 1.614 53.638 52.037 -0.022 0.000 0.627 132 A CB -0.746 18.252 19.000 -0.003 0.000 0.815 132 A HN 0.595 nan 8.150 nan 0.000 0.443 133 S N -0.708 114.954 115.700 -0.064 0.000 2.359 133 S HA -0.166 4.304 4.470 0.001 0.000 0.224 133 S C 1.940 176.446 174.600 -0.156 0.000 1.035 133 S CA 1.653 59.802 58.200 -0.085 0.000 1.018 133 S CB -0.445 62.713 63.200 -0.069 0.000 0.876 133 S HN 0.480 nan 8.310 nan 0.000 0.448 134 L N 1.572 122.668 121.223 -0.211 0.000 2.017 134 L HA 0.025 4.365 4.340 0.001 0.000 0.208 134 L C 2.333 178.870 176.870 -0.556 0.000 1.073 134 L CA 1.675 56.265 54.840 -0.417 0.000 0.745 134 L CB -0.768 41.074 42.059 -0.363 0.000 0.894 134 L HN 0.231 nan 8.230 nan 0.000 0.432 135 V N 0.376 120.118 119.914 -0.286 0.000 2.343 135 V HA -0.299 3.822 4.120 0.001 0.000 0.247 135 V C 2.521 178.574 176.094 -0.067 0.000 1.051 135 V CA 1.934 64.149 62.300 -0.142 0.000 1.036 135 V CB -1.080 30.708 31.823 -0.058 0.000 0.654 135 V HN 0.645 nan 8.190 nan 0.000 0.451 136 N N 1.059 119.716 118.700 -0.073 0.000 2.104 136 N HA -0.178 4.562 4.740 0.001 0.000 0.190 136 N C 1.929 177.422 175.510 -0.029 0.000 1.024 136 N CA 2.030 55.060 53.050 -0.033 0.000 0.853 136 N CB -0.313 38.153 38.487 -0.035 0.000 1.008 136 N HN 0.487 nan 8.380 nan 0.000 0.424 137 G N 0.131 108.876 108.800 -0.091 0.000 2.421 137 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 137 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 137 G C 0.633 175.575 174.900 0.070 0.000 1.171 137 G CA 0.500 45.565 45.100 -0.059 0.000 0.775 137 G HN 0.248 nan 8.290 nan 0.000 0.543 141 E N 0.496 120.749 120.200 0.088 0.000 2.077 141 E HA -0.101 4.250 4.350 0.001 0.000 0.193 141 E C 1.774 178.421 176.600 0.079 0.000 0.989 141 E CA 1.657 58.102 56.400 0.075 0.000 0.800 141 E CB -0.105 29.694 29.700 0.166 0.000 0.746 141 E HN 0.411 nan 8.360 nan 0.000 0.452 142 V N 1.490 121.457 119.914 0.088 0.000 2.358 142 V HA -0.228 3.893 4.120 0.001 0.000 0.246 142 V C 2.061 178.191 176.094 0.061 0.000 1.047 142 V CA 1.664 64.006 62.300 0.070 0.000 1.035 142 V CB -0.355 31.519 31.823 0.085 0.000 0.658 142 V HN 0.160 nan 8.190 nan 0.000 0.452 143 K N -0.540 119.899 120.400 0.066 0.000 2.057 143 K HA -0.068 4.252 4.320 0.001 0.000 0.206 143 K C 1.108 177.717 176.600 0.015 0.000 1.050 143 K CA 0.800 57.112 56.287 0.043 0.000 0.935 143 K CB -0.204 32.318 32.500 0.038 0.000 0.715 143 K HN 0.407 nan 8.250 nan 0.000 0.439 147 A N 1.705 124.480 122.820 -0.076 0.000 1.908 147 A HA -0.148 4.172 4.320 0.001 0.000 0.218 147 A C 1.869 179.364 177.584 -0.150 0.000 1.181 147 A CA 1.696 53.657 52.037 -0.127 0.000 0.627 147 A CB -0.556 18.293 19.000 -0.252 0.000 0.818 147 A HN 0.292 nan 8.150 nan 0.000 0.445 148 L N -1.553 119.448 121.223 -0.371 0.000 2.017 148 L HA -0.144 4.196 4.340 0.001 0.000 0.208 148 L C 2.345 179.272 176.870 0.095 0.000 1.073 148 L CA 1.991 56.665 54.840 -0.277 0.000 0.745 148 L CB -0.845 40.802 42.059 -0.687 0.000 0.894 148 L HN 0.457 nan 8.230 nan 0.000 0.432 149 Y N -1.531 118.810 120.300 0.068 0.000 2.145 149 Y HA -0.263 4.287 4.550 0.001 0.000 0.286 149 Y C 2.484 178.360 175.900 -0.041 0.000 1.145 149 Y CA 1.857 59.969 58.100 0.020 0.000 1.148 149 Y CB -1.119 37.204 38.460 -0.229 0.000 0.981 149 Y HN 0.177 nan 8.280 nan 0.000 0.507 150 Y N -1.998 118.362 120.300 0.099 0.000 2.242 150 Y HA -0.235 4.316 4.550 0.001 0.000 0.291 150 Y C 2.364 178.270 175.900 0.010 0.000 1.137 150 Y CA 1.132 59.221 58.100 -0.018 0.000 1.181 150 Y CB -0.873 37.541 38.460 -0.077 0.000 0.989 150 Y HN 0.116 nan 8.280 nan 0.000 0.527 151 F N -0.931 119.013 119.950 -0.011 0.000 2.171 151 F HA -0.244 4.284 4.527 0.001 0.000 0.300 151 F C 1.761 177.443 175.800 -0.197 0.000 1.090 151 F CA 1.215 59.092 58.000 -0.204 0.000 1.293 151 F CB -0.886 37.969 39.000 -0.242 0.000 1.013 151 F HN 0.026 nan 8.300 nan 0.000 0.486 152 Y N 0.015 120.269 120.300 -0.076 0.000 2.163 152 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 152 Y C 2.472 178.362 175.900 -0.016 0.000 1.136 152 Y CA 1.743 59.791 58.100 -0.087 0.000 1.147 152 Y CB -0.895 37.754 38.460 0.315 0.000 0.987 152 Y HN -0.016 nan 8.280 nan 0.000 0.509 153 L N -0.480 120.888 121.223 0.241 0.000 2.013 153 L HA -0.242 4.099 4.340 0.001 0.000 0.212 153 L C 2.453 179.487 176.870 0.272 0.000 1.073 153 L CA 1.724 56.732 54.840 0.280 0.000 0.753 153 L CB -0.981 41.093 42.059 0.026 0.000 0.890 153 L HN 0.256 nan 8.230 nan 0.000 0.432 154 V N -2.854 117.135 119.914 0.126 0.000 2.515 154 V HA -0.188 3.932 4.120 0.001 0.000 0.250 154 V C 2.417 178.543 176.094 0.052 0.000 1.058 154 V CA 1.274 63.642 62.300 0.115 0.000 1.064 154 V CB -0.740 31.107 31.823 0.040 0.000 0.675 154 V HN 0.358 nan 8.190 nan 0.000 0.461 155 R N 0.014 120.433 120.500 -0.136 0.000 2.090 155 R HA 0.187 4.528 4.340 0.001 0.000 0.228 155 R C 2.292 178.609 176.300 0.028 0.000 1.110 155 R CA 1.823 57.805 56.100 -0.197 0.000 0.973 155 R CB -0.331 29.525 30.300 -0.739 0.000 0.869 155 R HN 0.508 nan 8.270 nan 0.000 0.440 156 I N -0.838 119.749 120.570 0.028 0.000 2.277 156 I HA -0.155 4.015 4.170 0.001 0.000 0.243 156 I C 1.130 177.172 176.117 -0.125 0.000 1.094 156 I CA 1.299 62.556 61.300 -0.073 0.000 1.393 156 I CB 0.096 37.784 38.000 -0.519 0.000 1.078 156 I HN 0.038 nan 8.210 nan 0.000 0.417 157 F N -0.038 120.087 119.950 0.292 0.000 2.724 157 F HA 0.410 4.937 4.527 0.001 0.000 0.306 157 F C 1.467 177.423 175.800 0.260 0.000 1.100 157 F CA 0.397 58.592 58.000 0.325 0.000 1.255 157 F CB 0.011 39.298 39.000 0.478 0.000 1.072 157 F HN 0.138 nan 8.300 nan 0.000 0.589 158 G N 0.361 109.367 108.800 0.344 0.000 2.509 158 G HA2 -0.261 3.699 3.960 0.001 0.000 0.256 158 G HA3 -0.261 3.699 3.960 0.001 0.000 0.256 158 G C -0.773 174.287 174.900 0.266 0.000 1.152 158 G CA -0.317 44.930 45.100 0.246 0.000 0.951 158 G HN 0.090 nan 8.290 nan 0.000 0.559 159 D N 1.418 121.957 120.400 0.232 0.000 2.493 159 D HA 0.436 5.076 4.640 0.001 0.000 0.240 159 D C 0.835 177.313 176.300 0.297 0.000 1.142 159 D CA 1.167 55.298 54.000 0.218 0.000 0.872 159 D CB 1.259 42.162 40.800 0.171 0.000 1.173 159 D HN 1.398 nan 8.370 nan 0.000 0.467 160 V N -0.213 119.871 119.914 0.283 0.000 3.114 160 V HA 0.633 4.754 4.120 0.001 0.000 0.308 160 V C -2.909 173.361 176.094 0.292 0.000 1.168 160 V CA -2.616 59.890 62.300 0.344 0.000 1.015 160 V CB 2.061 34.073 31.823 0.315 0.000 1.050 160 V HN 0.184 nan 8.190 nan 0.000 0.433 161 P HA 0.161 nan 4.420 nan 0.000 0.265 161 P C -0.959 176.514 177.300 0.288 0.000 1.193 161 P CA 0.192 63.410 63.100 0.197 0.000 0.765 161 P CB 0.281 31.998 31.700 0.030 0.000 0.823 162 K N 4.616 125.114 120.400 0.164 0.000 2.257 162 K HA 0.360 4.680 4.320 0.001 0.000 0.270 162 K C -0.895 175.775 176.600 0.116 0.000 1.098 162 K CA -0.213 56.126 56.287 0.086 0.000 0.943 162 K CB -0.423 32.086 32.500 0.015 0.000 1.316 162 K HN 0.421 nan 8.250 nan 0.000 0.447 163 I N 4.244 124.956 120.570 0.236 0.000 2.439 163 I HA 0.127 4.298 4.170 0.001 0.000 0.283 163 I C 0.542 176.793 176.117 0.223 0.000 1.023 163 I CA -0.521 60.908 61.300 0.216 0.000 1.100 163 I CB 2.048 40.194 38.000 0.242 0.000 1.238 163 I HN 0.615 nan 8.210 nan 0.000 0.445 164 T N -0.748 113.880 114.554 0.122 0.000 3.111 164 T HA 0.142 4.493 4.350 0.001 0.000 0.284 164 T C 0.458 175.206 174.700 0.079 0.000 0.983 164 T CA -0.197 61.965 62.100 0.104 0.000 0.900 164 T CB 0.060 68.961 68.868 0.055 0.000 1.132 164 T HN 0.562 nan 8.240 nan 0.000 0.531 165 T N 0.398 114.995 114.554 0.072 0.000 2.912 165 T HA 0.699 5.050 4.350 0.001 0.000 0.288 165 T C 0.242 174.974 174.700 0.052 0.000 1.030 165 T CA -0.471 61.662 62.100 0.054 0.000 1.020 165 T CB 1.557 70.450 68.868 0.042 0.000 1.056 165 T HN 0.574 nan 8.240 nan 0.000 0.480 166 V N 1.972 121.912 119.914 0.043 0.000 2.872 166 V HA 0.179 4.300 4.120 0.001 0.000 0.307 166 V C 1.586 177.697 176.094 0.029 0.000 1.072 166 V CA -0.158 62.164 62.300 0.036 0.000 1.148 166 V CB -0.156 31.686 31.823 0.032 0.000 0.954 166 V HN 1.027 nan 8.190 nan 0.000 0.490 167 Q N 2.619 122.433 119.800 0.023 0.000 2.135 167 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 167 Q C 2.363 178.370 176.000 0.012 0.000 0.981 167 Q CA 2.078 57.890 55.803 0.015 0.000 0.856 167 Q CB -0.239 28.503 28.738 0.007 0.000 0.902 167 Q HN 1.141 nan 8.270 nan 0.000 0.425 168 S N 0.337 116.044 115.700 0.011 0.000 2.447 168 S HA -0.133 4.337 4.470 0.001 0.000 0.233 168 S C 1.323 175.930 174.600 0.011 0.000 1.006 168 S CA 0.989 59.194 58.200 0.009 0.000 0.957 168 S CB -0.027 63.178 63.200 0.008 0.000 0.773 168 S HN 0.353 nan 8.310 nan 0.000 0.507 169 E N 0.388 120.597 120.200 0.015 0.000 2.481 169 E HA 0.308 4.658 4.350 0.001 0.000 0.198 169 E C -0.325 176.285 176.600 0.017 0.000 1.027 169 E CA -0.313 56.097 56.400 0.016 0.000 0.900 169 E CB 0.175 29.887 29.700 0.019 0.000 0.993 169 E HN 0.523 nan 8.360 nan 0.000 0.482 170 L N 0.623 121.856 121.223 0.017 0.000 2.426 170 L HA 0.094 4.435 4.340 0.001 0.000 0.271 170 L C 1.677 178.554 176.870 0.012 0.000 1.169 170 L CA -0.173 54.677 54.840 0.017 0.000 0.836 170 L CB 0.748 42.816 42.059 0.015 0.000 1.112 170 L HN 0.139 nan 8.230 nan 0.000 0.465 171 G N 1.531 110.339 108.800 0.013 0.000 2.394 171 G HA2 -0.127 3.833 3.960 0.001 0.000 0.215 171 G HA3 -0.127 3.833 3.960 0.001 0.000 0.215 171 G C 0.325 175.230 174.900 0.008 0.000 1.165 171 G CA 0.453 45.559 45.100 0.010 0.000 0.784 171 G HN 0.574 nan 8.290 nan 0.000 0.535 172 E N -0.825 119.380 120.200 0.008 0.000 2.274 172 E HA 0.408 4.759 4.350 0.001 0.000 0.269 172 E C 0.651 177.253 176.600 0.002 0.000 0.891 172 E CA -0.486 55.917 56.400 0.005 0.000 0.784 172 E CB 1.231 30.935 29.700 0.005 0.000 1.225 172 E HN -0.020 nan 8.360 nan 0.000 0.412 173 L N 2.356 123.578 121.223 -0.002 0.000 2.395 173 L HA 0.069 4.409 4.340 0.001 0.000 0.218 173 L C 0.847 177.710 176.870 -0.011 0.000 1.130 173 L CA 0.409 55.244 54.840 -0.007 0.000 0.826 173 L CB 0.067 42.121 42.059 -0.009 0.000 0.941 173 L HN 0.472 nan 8.230 nan 0.000 0.451 174 Q N 2.195 121.991 119.800 -0.007 0.000 3.159 174 Q HA 0.097 4.438 4.340 0.001 0.000 0.280 174 Q C 0.054 176.054 176.000 -0.000 0.000 1.403 174 Q CA -0.030 55.769 55.803 -0.007 0.000 0.957 174 Q CB -0.482 28.252 28.738 -0.007 0.000 1.729 174 Q HN 0.286 nan 8.270 nan 0.000 0.551 175 V N -1.384 118.529 119.914 -0.001 0.000 3.376 175 V HA 0.332 4.452 4.120 0.001 0.000 0.303 175 V C 0.477 176.587 176.094 0.026 0.000 1.100 175 V CA -0.525 61.782 62.300 0.011 0.000 1.126 175 V CB 0.995 32.819 31.823 0.003 0.000 1.085 175 V HN 0.303 nan 8.190 nan 0.000 0.480 176 S N 0.885 116.610 115.700 0.041 0.000 2.664 176 S HA 0.625 5.096 4.470 0.001 0.000 0.304 176 S C -0.244 174.409 174.600 0.088 0.000 1.099 176 S CA -0.941 57.293 58.200 0.056 0.000 1.003 176 S CB 1.369 64.597 63.200 0.046 0.000 1.092 176 S HN 0.778 nan 8.310 nan 0.000 0.525 177 R N 0.963 121.529 120.500 0.111 0.000 2.438 177 R HA 0.567 4.908 4.340 0.001 0.000 0.287 177 R C -0.037 176.336 176.300 0.121 0.000 1.077 177 R CA -0.176 56.017 56.100 0.155 0.000 1.034 177 R CB 0.424 30.833 30.300 0.182 0.000 0.993 177 R HN 0.641 nan 8.270 nan 0.000 0.459 178 A N 4.852 127.747 122.820 0.126 0.000 2.294 178 A HA 0.580 4.900 4.320 0.001 0.000 0.330 178 A C -2.321 175.321 177.584 0.097 0.000 1.133 178 A CA -2.125 49.967 52.037 0.092 0.000 0.836 178 A CB 0.670 19.713 19.000 0.072 0.000 1.190 178 A HN 0.418 nan 8.150 nan 0.000 0.492 179 P HA 0.108 nan 4.420 nan 0.000 0.266 179 P C 1.136 178.489 177.300 0.088 0.000 1.195 179 P CA -0.130 63.014 63.100 0.074 0.000 0.768 179 P CB 0.527 32.257 31.700 0.050 0.000 0.838 180 V N 3.783 123.759 119.914 0.104 0.000 2.278 180 V HA -0.317 3.804 4.120 0.001 0.000 0.251 180 V C 2.358 178.559 176.094 0.178 0.000 1.062 180 V CA 2.161 64.551 62.300 0.150 0.000 1.038 180 V CB -0.933 30.980 31.823 0.149 0.000 0.646 180 V HN 0.698 nan 8.190 nan 0.000 0.447 181 K N -0.309 120.130 120.400 0.065 0.000 2.113 181 K HA -0.254 4.066 4.320 0.001 0.000 0.208 181 K C 2.116 178.785 176.600 0.116 0.000 1.047 181 K CA 2.023 58.325 56.287 0.025 0.000 0.928 181 K CB -0.150 32.315 32.500 -0.058 0.000 0.716 181 K HN 0.621 nan 8.250 nan 0.000 0.446 182 E N 0.229 120.479 120.200 0.083 0.000 2.110 182 E HA -0.179 4.171 4.350 0.001 0.000 0.193 182 E C 1.975 178.598 176.600 0.039 0.000 0.988 182 E CA 0.944 57.382 56.400 0.063 0.000 0.804 182 E CB -0.005 29.719 29.700 0.039 0.000 0.745 182 E HN 0.277 nan 8.360 nan 0.000 0.458 183 I N 0.385 120.971 120.570 0.026 0.000 2.179 183 I HA -0.255 3.916 4.170 0.001 0.000 0.242 183 I C 2.088 178.163 176.117 -0.070 0.000 1.088 183 I CA 1.552 62.790 61.300 -0.103 0.000 1.357 183 I CB -1.255 36.680 38.000 -0.109 0.000 1.051 183 I HN 0.142 nan 8.210 nan 0.000 0.409 184 Y N 1.512 121.813 120.300 0.001 0.000 2.114 184 Y HA -0.248 4.303 4.550 0.001 0.000 0.284 184 Y C 2.514 178.451 175.900 0.062 0.000 1.143 184 Y CA 1.803 59.940 58.100 0.061 0.000 1.135 184 Y CB -0.403 38.172 38.460 0.191 0.000 0.980 184 Y HN 0.214 nan 8.280 nan 0.000 0.499 185 D N -0.580 119.978 120.400 0.264 0.000 2.183 185 D HA -0.100 4.540 4.640 0.001 0.000 0.203 185 D C 1.622 177.967 176.300 0.075 0.000 0.969 185 D CA 1.268 55.373 54.000 0.175 0.000 0.842 185 D CB -0.133 40.767 40.800 0.167 0.000 0.957 185 D HN 0.515 nan 8.370 nan 0.000 0.484 186 E N -0.758 119.461 120.200 0.032 0.000 2.307 186 E HA 0.166 4.517 4.350 0.001 0.000 0.195 186 E C 1.762 178.328 176.600 -0.056 0.000 0.975 186 E CA 0.166 56.559 56.400 -0.011 0.000 0.878 186 E CB 0.955 30.644 29.700 -0.019 0.000 0.845 186 E HN 0.237 nan 8.360 nan 0.000 0.488 187 I N -0.083 120.421 120.570 -0.110 0.000 3.632 187 I HA 0.002 4.172 4.170 0.001 0.000 0.246 187 I C 2.089 178.128 176.117 -0.130 0.000 1.125 187 I CA 0.042 61.242 61.300 -0.166 0.000 1.519 187 I CB -0.049 37.715 38.000 -0.394 0.000 1.555 187 I HN -0.040 nan 8.210 nan 0.000 0.452 188 I N 1.603 122.078 120.570 -0.158 0.000 2.099 188 I HA -0.297 3.873 4.170 0.001 0.000 0.239 188 I C 2.519 178.542 176.117 -0.157 0.000 1.066 188 I CA 1.977 63.174 61.300 -0.171 0.000 1.324 188 I CB -0.233 37.611 38.000 -0.261 0.000 1.037 188 I HN 0.181 nan 8.210 nan 0.000 0.401 189 I N 0.411 120.920 120.570 -0.102 0.000 2.202 189 I HA -0.159 4.012 4.170 0.001 0.000 0.242 189 I C -0.446 175.623 176.117 -0.080 0.000 1.091 189 I CA 1.422 62.647 61.300 -0.125 0.000 1.368 189 I CB -1.559 36.406 38.000 -0.058 0.000 1.058 189 I HN 0.143 nan 8.210 nan 0.000 0.410 190 P HA -0.134 nan 4.420 nan 0.000 0.217 190 P C 0.926 178.207 177.300 -0.032 0.000 1.150 190 P CA 1.412 64.498 63.100 -0.023 0.000 0.832 190 P CB -0.037 31.656 31.700 -0.011 0.000 0.787 191 D N -0.759 119.613 120.400 -0.047 0.000 2.104 191 D HA -0.118 4.522 4.640 0.001 0.000 0.194 191 D C 1.991 178.265 176.300 -0.044 0.000 0.994 191 D CA 1.093 55.071 54.000 -0.038 0.000 0.830 191 D CB -0.753 40.019 40.800 -0.047 0.000 0.959 191 D HN 0.152 nan 8.370 nan 0.000 0.452 192 L N 0.007 121.179 121.223 -0.085 0.000 2.109 192 L HA -0.059 4.281 4.340 0.001 0.000 0.207 192 L C 2.448 179.283 176.870 -0.057 0.000 1.086 192 L CA 0.415 55.201 54.840 -0.089 0.000 0.760 192 L CB -0.182 41.770 42.059 -0.178 0.000 0.910 192 L HN 0.045 nan 8.230 nan 0.000 0.437 193 L N -0.607 120.587 121.223 -0.049 0.000 2.093 193 L HA -0.173 4.167 4.340 0.001 0.000 0.208 193 L C 2.423 179.291 176.870 -0.003 0.000 1.085 193 L CA 1.164 55.996 54.840 -0.013 0.000 0.755 193 L CB -0.379 41.684 42.059 0.006 0.000 0.904 193 L HN 0.283 nan 8.230 nan 0.000 0.435 194 E N 0.247 120.444 120.200 -0.005 0.000 2.072 194 E HA -0.166 4.184 4.350 0.001 0.000 0.190 194 E C 2.348 178.950 176.600 0.003 0.000 0.982 194 E CA 1.045 57.447 56.400 0.003 0.000 0.803 194 E CB -0.170 29.534 29.700 0.007 0.000 0.755 194 E HN 0.465 nan 8.360 nan 0.000 0.453 195 A N 1.450 124.271 122.820 0.002 0.000 1.940 195 A HA -0.272 4.049 4.320 0.001 0.000 0.219 195 A C 2.030 179.606 177.584 -0.013 0.000 1.176 195 A CA 1.634 53.673 52.037 0.003 0.000 0.631 195 A CB -0.482 18.533 19.000 0.024 0.000 0.814 195 A HN 0.232 nan 8.150 nan 0.000 0.446 196 E N -0.664 119.528 120.200 -0.013 0.000 2.209 196 E HA -0.183 4.167 4.350 0.001 0.000 0.196 196 E C 0.988 177.591 176.600 0.005 0.000 0.993 196 E CA 0.979 57.373 56.400 -0.010 0.000 0.819 196 E CB 0.023 29.723 29.700 0.001 0.000 0.745 196 E HN 0.514 nan 8.360 nan 0.000 0.477 197 Q N 0.364 120.168 119.800 0.006 0.000 2.212 197 Q HA 0.084 4.424 4.340 0.001 0.000 0.213 197 Q C 0.188 176.191 176.000 0.006 0.000 0.874 197 Q CA 0.041 55.850 55.803 0.010 0.000 0.965 197 Q CB 0.866 29.611 28.738 0.010 0.000 1.074 197 Q HN 0.153 nan 8.270 nan 0.000 0.473 198 S N -0.992 114.708 115.700 0.000 0.000 2.758 198 S HA 0.321 4.791 4.470 0.001 0.000 0.292 198 S C 0.412 175.007 174.600 -0.008 0.000 1.131 198 S CA -0.652 57.545 58.200 -0.005 0.000 0.997 198 S CB 1.250 64.445 63.200 -0.008 0.000 1.111 198 S HN -0.086 nan 8.310 nan 0.000 0.552 199 D N 0.515 120.904 120.400 -0.018 0.000 2.323 199 D HA 0.248 4.888 4.640 0.001 0.000 0.239 199 D C 0.116 176.400 176.300 -0.027 0.000 1.129 199 D CA 0.118 54.104 54.000 -0.023 0.000 0.865 199 D CB -0.495 40.281 40.800 -0.040 0.000 0.913 199 D HN 0.389 nan 8.370 nan 0.000 0.517 200 L N 1.045 122.251 121.223 -0.029 0.000 2.490 200 L HA 0.102 4.442 4.340 0.001 0.000 0.274 200 L C 0.946 177.800 176.870 -0.026 0.000 1.201 200 L CA -0.433 54.383 54.840 -0.039 0.000 0.869 200 L CB 0.520 42.535 42.059 -0.073 0.000 1.123 200 L HN -0.005 nan 8.230 nan 0.000 0.484 201 A N 3.210 126.019 122.820 -0.019 0.000 2.483 201 A HA -0.022 4.299 4.320 0.001 0.000 0.238 201 A C 0.615 178.207 177.584 0.012 0.000 1.070 201 A CA -0.025 52.018 52.037 0.011 0.000 0.770 201 A CB 0.008 19.008 19.000 0.001 0.000 1.008 201 A HN 0.750 nan 8.150 nan 0.000 0.497 202 F N 1.641 121.568 119.950 -0.038 0.000 2.186 202 F HA 0.007 4.534 4.527 0.001 0.000 0.299 202 F C 1.472 177.257 175.800 -0.025 0.000 1.090 202 F CA 1.862 59.847 58.000 -0.025 0.000 1.307 202 F CB 0.088 39.073 39.000 -0.026 0.000 1.019 202 F HN 0.628 nan 8.300 nan 0.000 0.489 203 S N -1.253 114.496 115.700 0.083 0.000 2.599 203 S HA 0.455 4.926 4.470 0.001 0.000 0.287 203 S C -1.441 173.030 174.600 -0.215 0.000 1.105 203 S CA -0.896 57.258 58.200 -0.078 0.000 0.899 203 S CB 2.576 65.651 63.200 -0.210 0.000 1.100 203 S HN 0.162 nan 8.310 nan 0.000 0.482 204 D N -0.471 119.708 120.400 -0.368 0.000 2.977 204 D HA 0.222 4.862 4.640 0.001 0.000 0.220 204 D C -0.989 175.065 176.300 -0.409 0.000 1.267 204 D CA -0.313 53.501 54.000 -0.311 0.000 0.884 204 D CB 1.387 42.136 40.800 -0.084 0.000 1.667 204 D HN 0.763 nan 8.370 nan 0.000 0.536 205 H N 2.142 121.259 119.070 0.079 0.000 2.469 205 H HA 0.156 4.712 4.556 0.001 0.000 0.286 205 H C 1.099 176.472 175.328 0.075 0.000 1.106 205 H CA 0.207 56.311 56.048 0.093 0.000 1.055 205 H CB 0.588 30.398 29.762 0.080 0.000 1.618 205 H HN 0.406 nan 8.280 nan 0.000 0.559 206 T N -4.191 110.422 114.554 0.097 0.000 3.003 206 T HA 0.326 4.676 4.350 0.001 0.000 0.261 206 T C 1.625 176.342 174.700 0.028 0.000 1.003 206 T CA 0.422 62.559 62.100 0.062 0.000 0.917 206 T CB 0.697 69.586 68.868 0.034 0.000 1.084 206 T HN 0.369 nan 8.240 nan 0.000 0.522 207 G N 1.653 110.473 108.800 0.033 0.000 2.192 207 G HA2 -0.157 3.803 3.960 0.001 0.000 0.193 207 G HA3 -0.157 3.803 3.960 0.001 0.000 0.193 207 G C 0.148 175.097 174.900 0.082 0.000 0.999 207 G CA -0.559 44.541 45.100 -0.001 0.000 0.659 207 G HN 0.618 nan 8.290 nan 0.000 0.503 208 R N 0.268 120.834 120.500 0.110 0.000 2.615 208 R HA 0.499 4.840 4.340 0.001 0.000 0.270 208 R C 0.715 177.199 176.300 0.306 0.000 1.081 208 R CA -0.417 55.832 56.100 0.249 0.000 1.154 208 R CB 1.122 31.495 30.300 0.121 0.000 1.063 208 R HN 0.065 nan 8.270 nan 0.000 0.519 209 V N 2.135 122.256 119.914 0.346 0.000 2.788 209 V HA -0.042 4.078 4.120 0.001 0.000 0.307 209 V C 0.736 176.744 176.094 -0.143 0.000 1.069 209 V CA 0.657 62.888 62.300 -0.115 0.000 1.173 209 V CB 0.845 32.411 31.823 -0.429 0.000 0.925 209 V HN 1.014 nan 8.190 nan 0.000 0.492 213 A N 0.884 123.537 122.820 -0.280 0.000 1.902 213 A HA 0.236 4.556 4.320 0.001 0.000 0.217 213 A C 2.511 179.968 177.584 -0.212 0.000 1.181 213 A CA 2.398 54.269 52.037 -0.276 0.000 0.623 213 A CB -0.704 17.950 19.000 -0.576 0.000 0.818 213 A HN 0.717 nan 8.150 nan 0.000 0.443 214 V N 0.603 120.346 119.914 -0.285 0.000 2.295 214 V HA -0.247 3.873 4.120 0.001 0.000 0.246 214 V C 2.511 178.544 176.094 -0.101 0.000 1.049 214 V CA 2.194 64.460 62.300 -0.056 0.000 1.024 214 V CB -0.591 31.167 31.823 -0.109 0.000 0.648 214 V HN 0.446 nan 8.190 nan 0.000 0.447 215 K N 0.428 120.730 120.400 -0.164 0.000 2.097 215 K HA -0.008 4.312 4.320 0.001 0.000 0.205 215 K C 2.280 178.799 176.600 -0.136 0.000 1.050 215 K CA 1.489 57.715 56.287 -0.102 0.000 0.938 215 K CB -0.781 31.700 32.500 -0.032 0.000 0.718 215 K HN 0.473 nan 8.250 nan 0.000 0.442 216 A N 1.620 124.303 122.820 -0.228 0.000 1.877 216 A HA -0.143 4.177 4.320 0.001 0.000 0.216 216 A C 2.225 179.408 177.584 -0.668 0.000 1.186 216 A CA 1.224 53.009 52.037 -0.420 0.000 0.620 216 A CB -0.580 18.107 19.000 -0.522 0.000 0.822 216 A HN 0.206 nan 8.150 nan 0.000 0.443 217 L N -0.826 120.050 121.223 -0.579 0.000 2.017 217 L HA -0.089 4.252 4.340 0.001 0.000 0.208 217 L C 2.206 178.847 176.870 -0.381 0.000 1.073 217 L CA 1.976 56.555 54.840 -0.434 0.000 0.745 217 L CB -0.682 41.268 42.059 -0.182 0.000 0.894 217 L HN 0.334 nan 8.230 nan 0.000 0.432 218 L N -0.187 120.858 121.223 -0.297 0.000 2.141 218 L HA -0.002 4.338 4.340 0.001 0.000 0.209 218 L C 2.491 179.236 176.870 -0.208 0.000 1.094 218 L CA 1.874 56.517 54.840 -0.329 0.000 0.763 218 L CB -1.162 40.749 42.059 -0.247 0.000 0.908 218 L HN 0.297 nan 8.230 nan 0.000 0.437 219 A N -0.782 121.984 122.820 -0.091 0.000 1.883 219 A HA -0.280 4.040 4.320 0.001 0.000 0.217 219 A C 2.163 179.775 177.584 0.046 0.000 1.186 219 A CA 2.011 54.071 52.037 0.039 0.000 0.624 219 A CB -0.909 18.117 19.000 0.045 0.000 0.822 219 A HN 0.527 nan 8.150 nan 0.000 0.444 220 D N -0.527 119.853 120.400 -0.033 0.000 2.117 220 D HA -0.090 4.551 4.640 0.001 0.000 0.198 220 D C 1.996 178.310 176.300 0.024 0.000 0.982 220 D CA 1.334 55.389 54.000 0.092 0.000 0.828 220 D CB -0.202 40.738 40.800 0.234 0.000 0.967 220 D HN 0.143 nan 8.370 nan 0.000 0.464 221 V N 0.353 120.037 119.914 -0.385 0.000 2.255 221 V HA -0.283 3.838 4.120 0.001 0.000 0.247 221 V C 2.244 178.340 176.094 0.004 0.000 1.051 221 V CA 1.605 63.622 62.300 -0.472 0.000 1.018 221 V CB -0.745 30.647 31.823 -0.718 0.000 0.641 221 V HN 0.227 nan 8.190 nan 0.000 0.445 222 Y N -0.776 119.516 120.300 -0.013 0.000 2.242 222 Y HA -0.133 4.418 4.550 0.001 0.000 0.291 222 Y C 2.129 178.047 175.900 0.031 0.000 1.137 222 Y CA 1.002 59.121 58.100 0.031 0.000 1.181 222 Y CB -0.795 37.683 38.460 0.029 0.000 0.989 222 Y HN 0.183 nan 8.280 nan 0.000 0.527 223 L N -0.445 120.912 121.223 0.223 0.000 2.042 223 L HA -0.195 4.145 4.340 0.001 0.000 0.210 223 L C 2.112 179.050 176.870 0.113 0.000 1.076 223 L CA 2.294 57.240 54.840 0.176 0.000 0.749 223 L CB -1.159 41.036 42.059 0.226 0.000 0.893 223 L HN 0.153 nan 8.230 nan 0.000 0.432 224 T N -1.686 112.966 114.554 0.164 0.000 2.777 224 T HA -0.217 4.133 4.350 0.001 0.000 0.266 224 T C 1.697 176.375 174.700 -0.036 0.000 1.040 224 T CA 1.616 63.794 62.100 0.131 0.000 1.141 224 T CB -0.588 68.479 68.868 0.333 0.000 0.868 224 T HN 0.404 nan 8.240 nan 0.000 0.444 225 Y N 2.015 122.167 120.300 -0.247 0.000 2.207 225 Y HA -0.108 4.442 4.550 0.001 0.000 0.287 225 Y C 2.510 178.078 175.900 -0.553 0.000 1.156 225 Y CA 0.857 58.617 58.100 -0.568 0.000 1.182 225 Y CB -0.552 37.535 38.460 -0.620 0.000 0.979 225 Y HN 0.208 nan 8.280 nan 0.000 0.521 226 A N -0.333 122.345 122.820 -0.236 0.000 2.014 226 A HA 0.150 4.470 4.320 0.001 0.000 0.218 226 A C 1.863 179.216 177.584 -0.386 0.000 1.163 226 A CA 1.038 52.806 52.037 -0.447 0.000 0.652 226 A CB -1.269 17.093 19.000 -1.065 0.000 0.808 226 A HN 0.462 nan 8.150 nan 0.000 0.449 227 G N -2.052 106.597 108.800 -0.252 0.000 2.509 227 G HA2 0.451 4.411 3.960 0.001 0.000 0.269 227 G HA3 0.451 4.411 3.960 0.001 0.000 0.269 227 G C -0.535 174.192 174.900 -0.288 0.000 1.416 227 G CA -0.639 44.340 45.100 -0.201 0.000 1.052 227 G HN 0.184 nan 8.290 nan 0.000 0.542 228 Y N 0.492 120.724 120.300 -0.113 0.000 2.304 228 Y HA 0.282 4.833 4.550 0.001 0.000 0.327 228 Y C -0.820 174.974 175.900 -0.176 0.000 1.209 228 Y CA -1.614 56.394 58.100 -0.153 0.000 1.299 228 Y CB 1.570 39.937 38.460 -0.154 0.000 1.249 228 Y HN 0.257 nan 8.280 nan 0.000 0.519 229 P HA -0.009 nan 4.420 nan 0.000 0.235 229 P C 0.993 178.232 177.300 -0.102 0.000 1.177 229 P CA 1.032 64.148 63.100 0.028 0.000 0.785 229 P CB 0.508 32.196 31.700 -0.020 0.000 0.885 230 L N -0.700 120.348 121.223 -0.292 0.000 2.156 230 L HA -0.017 4.323 4.340 0.001 0.000 0.208 230 L C 0.944 177.584 176.870 -0.385 0.000 1.095 230 L CA 0.657 55.232 54.840 -0.443 0.000 0.770 230 L CB -1.100 40.424 42.059 -0.891 0.000 0.914 230 L HN -0.007 nan 8.230 nan 0.000 0.439 231 Q N -0.365 119.201 119.800 -0.389 0.000 2.439 231 Q HA -0.227 4.113 4.340 0.001 0.000 0.325 231 Q C 1.203 177.060 176.000 -0.239 0.000 1.372 231 Q CA 0.117 55.718 55.803 -0.336 0.000 0.909 231 Q CB -1.725 26.829 28.738 -0.306 0.000 1.167 231 Q HN 0.640 nan 8.270 nan 0.000 0.418 232 G N 0.110 108.742 108.800 -0.281 0.000 2.471 232 G HA2 0.270 4.230 3.960 0.001 0.000 0.219 232 G HA3 0.270 4.230 3.960 0.001 0.000 0.219 232 G C 0.700 175.679 174.900 0.132 0.000 1.125 232 G CA 0.591 45.603 45.100 -0.147 0.000 0.775 232 G HN 0.949 nan 8.290 nan 0.000 0.548 233 G N -1.290 107.572 108.800 0.104 0.000 2.402 233 G HA2 -0.012 3.948 3.960 0.001 0.000 0.666 233 G HA3 -0.012 3.948 3.960 0.001 0.000 0.666 233 G C 0.256 175.225 174.900 0.116 0.000 1.402 233 G CA -0.041 45.145 45.100 0.144 0.000 0.920 233 G HN 0.074 nan 8.290 nan 0.000 0.651 234 K N 0.086 120.548 120.400 0.104 0.000 2.211 234 K HA -0.130 4.191 4.320 0.001 0.000 0.204 234 K C 2.890 179.546 176.600 0.094 0.000 1.047 234 K CA 1.867 58.270 56.287 0.195 0.000 0.935 234 K CB -0.162 32.444 32.500 0.178 0.000 0.728 234 K HN 0.676 nan 8.250 nan 0.000 0.452 235 S N 0.232 115.902 115.700 -0.050 0.000 2.419 235 S HA -0.192 4.279 4.470 0.001 0.000 0.235 235 S C 1.798 176.190 174.600 -0.347 0.000 1.019 235 S CA 0.928 59.002 58.200 -0.209 0.000 0.982 235 S CB -0.586 62.421 63.200 -0.322 0.000 0.789 235 S HN 0.285 nan 8.310 nan 0.000 0.490 236 Y N 0.713 120.861 120.300 -0.253 0.000 2.293 236 Y HA -0.021 4.529 4.550 0.001 0.000 0.291 236 Y C 2.274 178.017 175.900 -0.261 0.000 1.137 236 Y CA 1.123 59.007 58.100 -0.361 0.000 1.202 236 Y CB -0.804 37.472 38.460 -0.307 0.000 0.990 236 Y HN 0.219 nan 8.280 nan 0.000 0.537 237 Y N -0.782 119.538 120.300 0.033 0.000 2.181 237 Y HA -0.246 4.304 4.550 0.001 0.000 0.288 237 Y C 2.524 178.385 175.900 -0.064 0.000 1.146 237 Y CA 0.921 59.020 58.100 -0.002 0.000 1.164 237 Y CB -1.064 37.386 38.460 -0.016 0.000 0.982 237 Y HN 0.085 nan 8.280 nan 0.000 0.515 238 A N 0.054 122.903 122.820 0.048 0.000 1.930 238 A HA -0.145 4.176 4.320 0.001 0.000 0.217 238 A C 2.143 179.673 177.584 -0.090 0.000 1.175 238 A CA 1.559 53.577 52.037 -0.033 0.000 0.627 238 A CB -0.407 18.553 19.000 -0.067 0.000 0.815 238 A HN 0.352 nan 8.150 nan 0.000 0.443 239 E N -0.088 119.967 120.200 -0.242 0.000 2.110 239 E HA -0.151 4.200 4.350 0.001 0.000 0.193 239 E C 2.296 178.844 176.600 -0.086 0.000 0.988 239 E CA 1.254 57.436 56.400 -0.363 0.000 0.804 239 E CB -0.518 28.550 29.700 -1.054 0.000 0.745 239 E HN 0.573 nan 8.360 nan 0.000 0.458 240 S N 0.715 116.431 115.700 0.027 0.000 2.343 240 S HA -0.158 4.312 4.470 0.001 0.000 0.219 240 S C 2.170 176.868 174.600 0.163 0.000 1.033 240 S CA 1.530 59.847 58.200 0.194 0.000 1.014 240 S CB -0.179 63.147 63.200 0.209 0.000 0.915 240 S HN 0.307 nan 8.310 nan 0.000 0.435 241 A N 1.185 124.076 122.820 0.119 0.000 1.948 241 A HA -0.174 4.147 4.320 0.001 0.000 0.220 241 A C 2.131 179.869 177.584 0.257 0.000 1.177 241 A CA 1.963 54.091 52.037 0.153 0.000 0.636 241 A CB -0.692 18.293 19.000 -0.025 0.000 0.815 241 A HN 0.655 nan 8.150 nan 0.000 0.449 242 K N -1.118 119.372 120.400 0.150 0.000 2.063 242 K HA -0.180 4.140 4.320 0.001 0.000 0.208 242 K C 2.342 179.030 176.600 0.147 0.000 1.048 242 K CA 1.732 58.097 56.287 0.129 0.000 0.928 242 K CB -0.140 32.400 32.500 0.066 0.000 0.713 242 K HN 0.255 nan 8.250 nan 0.000 0.442 243 R N 0.400 120.993 120.500 0.155 0.000 2.062 243 R HA -0.057 4.284 4.340 0.001 0.000 0.229 243 R C 2.466 178.860 176.300 0.157 0.000 1.128 243 R CA 1.782 57.968 56.100 0.144 0.000 0.960 243 R CB -0.706 29.666 30.300 0.120 0.000 0.855 243 R HN 0.280 nan 8.270 nan 0.000 0.432 244 S N 0.549 116.360 115.700 0.184 0.000 2.382 244 S HA -0.126 4.345 4.470 0.001 0.000 0.228 244 S C 1.889 176.579 174.600 0.151 0.000 1.027 244 S CA 1.034 59.349 58.200 0.192 0.000 0.991 244 S CB -0.514 62.836 63.200 0.251 0.000 0.823 244 S HN 0.170 nan 8.310 nan 0.000 0.469 245 L N 2.078 123.384 121.223 0.137 0.000 2.083 245 L HA 0.004 4.344 4.340 0.001 0.000 0.209 245 L C 2.399 179.283 176.870 0.023 0.000 1.083 245 L CA 1.748 56.553 54.840 -0.058 0.000 0.752 245 L CB -0.902 41.144 42.059 -0.023 0.000 0.899 245 L HN 0.318 nan 8.230 nan 0.000 0.433 246 E N -1.220 119.043 120.200 0.105 0.000 2.085 246 E HA -0.221 4.130 4.350 0.001 0.000 0.194 246 E C 2.149 178.871 176.600 0.204 0.000 0.994 246 E CA 1.650 58.133 56.400 0.138 0.000 0.801 246 E CB -0.195 29.628 29.700 0.204 0.000 0.743 246 E HN 0.391 nan 8.360 nan 0.000 0.453 247 V N 1.299 121.399 119.914 0.311 0.000 2.343 247 V HA -0.268 3.853 4.120 0.001 0.000 0.247 247 V C 2.215 178.514 176.094 0.341 0.000 1.051 247 V CA 1.554 64.120 62.300 0.443 0.000 1.036 247 V CB -0.424 31.627 31.823 0.379 0.000 0.654 247 V HN 0.269 nan 8.190 nan 0.000 0.451 248 I N -0.384 120.335 120.570 0.249 0.000 2.127 248 I HA -0.219 3.951 4.170 0.001 0.000 0.241 248 I C 2.554 178.720 176.117 0.081 0.000 1.075 248 I CA 1.431 62.857 61.300 0.210 0.000 1.334 248 I CB -0.446 37.560 38.000 0.010 0.000 1.040 248 I HN 0.201 nan 8.210 nan 0.000 0.405 249 K N 0.816 121.216 120.400 0.000 0.000 2.283 249 K HA -0.089 4.231 4.320 0.001 0.000 0.202 249 K C 2.211 178.735 176.600 -0.126 0.000 1.048 249 K CA 1.506 57.759 56.287 -0.058 0.000 0.948 249 K CB -0.592 31.870 32.500 -0.063 0.000 0.742 249 K HN 0.465 nan 8.250 nan 0.000 0.458 250 S N 1.351 116.930 115.700 -0.201 0.000 2.419 250 S HA -0.161 4.310 4.470 0.001 0.000 0.233 250 S C 0.709 175.144 174.600 -0.276 0.000 1.016 250 S CA 0.815 58.764 58.200 -0.418 0.000 0.974 250 S CB -0.341 62.331 63.200 -0.879 0.000 0.786 250 S HN 0.288 nan 8.310 nan 0.000 0.492 251 N N 0.842 119.448 118.700 -0.156 0.000 2.741 251 N HA -0.139 4.602 4.740 0.001 0.000 0.251 251 N C 0.062 175.443 175.510 -0.215 0.000 1.112 251 N CA 1.239 54.203 53.050 -0.144 0.000 0.750 251 N CB -1.363 37.053 38.487 -0.118 0.000 1.119 251 N HN 0.675 nan 8.380 nan 0.000 0.561 252 E N -0.863 119.152 120.200 -0.307 0.000 2.474 252 E HA 0.044 4.394 4.350 0.001 0.000 0.194 252 E C -0.205 175.923 176.600 -0.786 0.000 1.041 252 E CA 0.604 56.714 56.400 -0.485 0.000 0.874 252 E CB 0.227 29.594 29.700 -0.556 0.000 0.914 252 E HN 0.461 nan 8.360 nan 0.000 0.498 253 Y N -0.016 120.098 120.300 -0.311 0.000 2.512 253 Y HA 0.335 4.886 4.550 0.001 0.000 0.348 253 Y C 0.342 175.815 175.900 -0.712 0.000 0.990 253 Y CA -1.080 56.680 58.100 -0.567 0.000 1.033 253 Y CB 1.978 39.909 38.460 -0.882 0.000 1.259 253 Y HN -0.251 nan 8.280 nan 0.000 0.461 254 T N -0.478 113.861 114.554 -0.359 0.000 2.909 254 T HA 0.647 4.998 4.350 0.001 0.000 0.299 254 T C -0.970 173.683 174.700 -0.078 0.000 1.073 254 T CA -0.976 61.036 62.100 -0.146 0.000 0.999 254 T CB 1.120 69.930 68.868 -0.097 0.000 1.098 254 T HN 0.544 nan 8.240 nan 0.000 0.477 255 L N 2.276 123.560 121.223 0.103 0.000 2.416 255 L HA 0.348 4.689 4.340 0.001 0.000 0.272 255 L C -0.006 176.830 176.870 -0.057 0.000 1.161 255 L CA -0.748 54.109 54.840 0.029 0.000 0.845 255 L CB 0.079 42.196 42.059 0.095 0.000 1.119 255 L HN 0.597 nan 8.230 nan 0.000 0.464 256 F N 0.461 120.425 119.950 0.022 0.000 2.506 256 F HA 0.013 4.541 4.527 0.001 0.000 0.351 256 F C 1.743 177.511 175.800 -0.053 0.000 1.136 256 F CA -0.287 57.695 58.000 -0.030 0.000 1.298 256 F CB 0.534 39.509 39.000 -0.043 0.000 1.145 256 F HN 0.557 nan 8.300 nan 0.000 0.593 257 T N -2.661 111.979 114.554 0.144 0.000 3.043 257 T HA 0.071 4.421 4.350 0.001 0.000 0.263 257 T C 0.058 174.693 174.700 -0.108 0.000 1.094 257 T CA 0.768 62.876 62.100 0.012 0.000 1.127 257 T CB -0.385 68.491 68.868 0.014 0.000 0.905 257 T HN 0.604 nan 8.240 nan 0.000 0.490 258 D N -0.877 119.444 120.400 -0.132 0.000 2.744 258 D HA 0.249 4.889 4.640 0.001 0.000 0.304 258 D C -0.180 175.929 176.300 -0.318 0.000 1.179 258 D CA -1.146 52.647 54.000 -0.346 0.000 1.024 258 D CB 0.196 40.886 40.800 -0.184 0.000 1.453 258 D HN -0.013 nan 8.370 nan 0.000 0.529 259 Y N -0.621 119.707 120.300 0.047 0.000 2.510 259 Y HA 0.209 4.759 4.550 0.001 0.000 0.273 259 Y C 2.205 178.123 175.900 0.030 0.000 1.119 259 Y CA 0.338 58.492 58.100 0.090 0.000 1.286 259 Y CB -0.184 38.349 38.460 0.122 0.000 1.061 259 Y HN 0.541 nan 8.280 nan 0.000 0.542 260 E N 0.267 120.526 120.200 0.098 0.000 2.160 260 E HA -0.198 4.152 4.350 0.001 0.000 0.195 260 E C 1.901 178.459 176.600 -0.069 0.000 0.991 260 E CA 1.321 57.739 56.400 0.030 0.000 0.810 260 E CB 0.033 29.745 29.700 0.020 0.000 0.742 260 E HN 0.355 nan 8.360 nan 0.000 0.466 261 S N 0.559 116.117 115.700 -0.235 0.000 2.402 261 S HA -0.145 4.325 4.470 0.001 0.000 0.233 261 S C 1.792 176.218 174.600 -0.289 0.000 1.030 261 S CA 0.794 58.675 58.200 -0.532 0.000 1.003 261 S CB -0.164 62.104 63.200 -1.553 0.000 0.813 261 S HN 0.322 nan 8.310 nan 0.000 0.477 262 L N 0.930 122.124 121.223 -0.048 0.000 2.362 262 L HA -0.016 4.324 4.340 0.001 0.000 0.219 262 L C 1.992 178.990 176.870 0.214 0.000 1.134 262 L CA 0.882 55.875 54.840 0.255 0.000 0.807 262 L CB -0.322 41.888 42.059 0.253 0.000 0.927 262 L HN 0.385 nan 8.230 nan 0.000 0.447 263 R N -0.795 119.760 120.500 0.091 0.000 2.629 263 R HA 0.304 4.645 4.340 0.001 0.000 0.408 263 R C -0.298 176.024 176.300 0.038 0.000 1.057 263 R CA -0.262 55.877 56.100 0.064 0.000 1.119 263 R CB 0.031 30.319 30.300 -0.021 0.000 1.403 263 R HN 0.157 nan 8.270 nan 0.000 0.576 264 L N 2.223 123.473 121.223 0.045 0.000 2.280 264 L HA 0.408 4.749 4.340 0.001 0.000 0.287 264 L C -1.771 175.144 176.870 0.074 0.000 1.023 264 L CA -2.487 52.376 54.840 0.038 0.000 0.819 264 L CB 2.304 44.367 42.059 0.006 0.000 1.212 264 L HN -0.130 nan 8.230 nan 0.000 0.420 265 P HA -0.175 nan 4.420 nan 0.000 0.218 265 P C 1.562 178.918 177.300 0.094 0.000 1.148 265 P CA 1.066 64.211 63.100 0.076 0.000 0.822 265 P CB 0.252 31.983 31.700 0.052 0.000 0.784 266 S N -1.027 114.721 115.700 0.079 0.000 2.442 266 S HA -0.181 4.290 4.470 0.001 0.000 0.236 266 S C 1.729 176.404 174.600 0.124 0.000 1.007 266 S CA 0.927 59.178 58.200 0.084 0.000 0.965 266 S CB -0.995 62.240 63.200 0.058 0.000 0.773 266 S HN 0.157 nan 8.310 nan 0.000 0.504 267 Q N 1.302 121.200 119.800 0.164 0.000 2.444 267 Q HA 0.241 4.581 4.340 0.001 0.000 0.206 267 Q C -0.395 175.890 176.000 0.475 0.000 0.948 267 Q CA -0.081 55.891 55.803 0.281 0.000 0.946 267 Q CB -0.501 28.361 28.738 0.205 0.000 1.027 267 Q HN 0.522 nan 8.270 nan 0.000 0.513 268 N N 2.567 121.453 118.700 0.310 0.000 2.359 268 N HA -0.119 4.621 4.740 0.001 0.000 0.261 268 N C 0.069 175.765 175.510 0.310 0.000 1.267 268 N CA 0.572 53.763 53.050 0.236 0.000 0.864 268 N CB -0.056 38.505 38.487 0.123 0.000 1.063 268 N HN 0.263 nan 8.380 nan 0.000 0.474 269 N N -0.796 118.127 118.700 0.372 0.000 2.828 269 N HA -0.231 4.509 4.740 0.001 0.000 0.248 269 N C -0.929 174.900 175.510 0.532 0.000 1.044 269 N CA 1.027 54.310 53.050 0.389 0.000 0.851 269 N CB -0.519 38.112 38.487 0.240 0.000 1.136 269 N HN 0.598 nan 8.380 nan 0.000 0.572 270 K N -0.739 119.976 120.400 0.525 0.000 2.378 270 K HA 0.691 5.012 4.320 0.001 0.000 0.244 270 K C 1.122 177.856 176.600 0.223 0.000 1.039 270 K CA -0.520 55.949 56.287 0.304 0.000 0.863 270 K CB 1.730 34.324 32.500 0.156 0.000 1.326 270 K HN 0.046 nan 8.250 nan 0.000 0.460 271 G N 1.256 110.080 108.800 0.040 0.000 2.595 271 G HA2 -0.378 3.583 3.960 0.001 0.000 0.297 271 G HA3 -0.378 3.583 3.960 0.001 0.000 0.297 271 G C 0.704 175.373 174.900 -0.385 0.000 1.181 271 G CA 0.588 45.577 45.100 -0.185 0.000 0.963 271 G HN 0.711 nan 8.290 nan 0.000 0.541 272 E N 0.299 119.913 120.200 -0.977 0.000 2.299 272 E HA 0.179 4.529 4.350 0.001 0.000 0.193 272 E C 0.256 176.754 176.600 -0.170 0.000 0.998 272 E CA 0.005 56.045 56.400 -0.599 0.000 0.851 272 E CB 0.071 29.272 29.700 -0.832 0.000 0.795 272 E HN 0.294 nan 8.360 nan 0.000 0.492 273 F N 0.620 120.659 119.950 0.148 0.000 2.504 273 F HA 0.117 4.644 4.527 0.001 0.000 0.369 273 F C 1.264 177.175 175.800 0.185 0.000 1.082 273 F CA 0.009 58.121 58.000 0.186 0.000 1.216 273 F CB 0.314 39.454 39.000 0.234 0.000 1.108 273 F HN -0.123 nan 8.300 nan 0.000 0.554 274 I N 1.553 122.293 120.570 0.284 0.000 3.194 274 I HA 0.045 4.216 4.170 0.001 0.000 0.271 274 I C -0.725 175.568 176.117 0.293 0.000 1.150 274 I CA 0.171 61.554 61.300 0.138 0.000 1.440 274 I CB 0.377 38.314 38.000 -0.105 0.000 1.276 274 I HN 0.400 nan 8.210 nan 0.000 0.457 275 Y N 1.576 121.981 120.300 0.175 0.000 2.470 275 Y HA 0.508 5.058 4.550 0.001 0.000 0.341 275 Y C -1.117 174.850 175.900 0.112 0.000 1.021 275 Y CA -0.796 57.392 58.100 0.147 0.000 1.025 275 Y CB 1.401 39.975 38.460 0.191 0.000 1.266 275 Y HN -0.002 nan 8.280 nan 0.000 0.448 276 Q N 3.242 122.762 119.800 -0.466 0.000 2.456 276 Q HA 0.561 4.901 4.340 0.001 0.000 0.284 276 Q C -1.489 174.323 176.000 -0.313 0.000 1.061 276 Q CA -1.410 54.227 55.803 -0.277 0.000 0.799 276 Q CB 3.098 31.702 28.738 -0.223 0.000 1.445 276 Q HN 0.472 nan 8.270 nan 0.000 0.411 277 V N 2.453 122.322 119.914 -0.076 0.000 2.555 277 V HA 0.039 4.160 4.120 0.001 0.000 0.286 277 V C -0.092 175.835 176.094 -0.278 0.000 1.044 277 V CA -0.191 62.043 62.300 -0.110 0.000 1.026 277 V CB 0.916 32.755 31.823 0.027 0.000 0.981 277 V HN 0.573 nan 8.190 nan 0.000 0.480 278 Q N 4.202 123.770 119.800 -0.386 0.000 2.278 278 Q HA 0.521 4.862 4.340 0.001 0.000 0.257 278 Q C -1.122 174.569 176.000 -0.516 0.000 0.928 278 Q CA -0.059 55.560 55.803 -0.305 0.000 0.932 278 Q CB 1.548 30.180 28.738 -0.176 0.000 1.221 278 Q HN 0.581 nan 8.270 nan 0.000 0.434 279 F N 0.671 120.632 119.950 0.018 0.000 2.529 279 F HA 0.497 5.024 4.527 0.001 0.000 0.320 279 F C 0.265 176.095 175.800 0.051 0.000 1.118 279 F CA -0.574 57.449 58.000 0.038 0.000 0.915 279 F CB 2.101 41.128 39.000 0.045 0.000 1.161 279 F HN 0.474 nan 8.300 nan 0.000 0.445 280 S N 2.224 118.078 115.700 0.256 0.000 2.570 280 S HA 0.526 4.996 4.470 0.001 0.000 0.270 280 S C 0.127 174.873 174.600 0.244 0.000 1.149 280 S CA -0.932 57.377 58.200 0.182 0.000 0.837 280 S CB 1.198 64.459 63.200 0.102 0.000 1.124 280 S HN 0.581 nan 8.310 nan 0.000 0.465 281 L N 1.403 122.724 121.223 0.163 0.000 2.079 281 L HA -0.121 4.220 4.340 0.001 0.000 0.210 281 L C 2.376 179.392 176.870 0.244 0.000 1.081 281 L CA 1.688 56.627 54.840 0.164 0.000 0.752 281 L CB -0.669 41.413 42.059 0.039 0.000 0.896 281 L HN 0.905 nan 8.230 nan 0.000 0.433 282 N N -0.692 118.091 118.700 0.138 0.000 2.353 282 N HA -0.037 4.703 4.740 0.001 0.000 0.185 282 N C 0.774 176.315 175.510 0.051 0.000 1.098 282 N CA 0.349 53.452 53.050 0.089 0.000 0.872 282 N CB 0.331 38.849 38.487 0.051 0.000 0.970 282 N HN 0.384 nan 8.380 nan 0.000 0.467 283 K N 0.252 120.686 120.400 0.057 0.000 3.430 283 K HA 0.377 4.698 4.320 0.001 0.000 0.275 283 K C -0.104 176.467 176.600 -0.048 0.000 0.982 283 K CA -0.755 55.531 56.287 -0.002 0.000 1.580 283 K CB 0.530 33.024 32.500 -0.009 0.000 3.291 283 K HN -0.146 nan 8.250 nan 0.000 0.986 284 R N 1.702 122.198 120.500 -0.007 0.000 2.390 284 R HA 0.194 4.534 4.340 0.001 0.000 0.291 284 R C -0.358 176.104 176.300 0.271 0.000 1.070 284 R CA -0.057 56.062 56.100 0.031 0.000 1.014 284 R CB 0.390 30.745 30.300 0.091 0.000 1.007 284 R HN 0.456 nan 8.270 nan 0.000 0.466 285 H N 0.645 119.833 119.070 0.197 0.000 2.511 285 H HA 0.067 4.623 4.556 0.001 0.000 0.346 285 H C 0.103 175.388 175.328 -0.071 0.000 1.128 285 H CA -0.829 55.282 56.048 0.106 0.000 1.342 285 H CB 0.991 30.775 29.762 0.036 0.000 1.470 285 H HN 0.371 nan 8.280 nan 0.000 0.546 286 N N 2.594 121.100 118.700 -0.324 0.000 2.508 286 N HA -0.059 4.681 4.740 0.001 0.000 0.253 286 N C 0.409 175.635 175.510 -0.472 0.000 1.145 286 N CA 0.033 52.438 53.050 -1.075 0.000 0.973 286 N CB 0.368 38.176 38.487 -1.131 0.000 1.305 286 N HN 0.592 nan 8.380 nan 0.000 0.506 287 E N 0.839 120.827 120.200 -0.353 0.000 2.274 287 E HA -0.107 4.244 4.350 0.001 0.000 0.194 287 E C 1.497 177.923 176.600 -0.289 0.000 0.996 287 E CA 0.481 56.742 56.400 -0.232 0.000 0.840 287 E CB -0.070 29.561 29.700 -0.115 0.000 0.772 287 E HN 0.737 nan 8.360 nan 0.000 0.491 288 S N 0.321 115.810 115.700 -0.353 0.000 2.442 288 S HA -0.105 4.365 4.470 0.001 0.000 0.236 288 S C 2.145 176.642 174.600 -0.172 0.000 1.007 288 S CA 0.845 58.844 58.200 -0.334 0.000 0.965 288 S CB -0.503 62.430 63.200 -0.445 0.000 0.773 288 S HN 0.029 nan 8.310 nan 0.000 0.504 289 V N 2.343 122.164 119.914 -0.155 0.000 2.380 289 V HA -0.241 3.879 4.120 0.001 0.000 0.251 289 V C 2.847 178.870 176.094 -0.119 0.000 1.063 289 V CA 2.352 64.629 62.300 -0.038 0.000 1.055 289 V CB -0.826 30.928 31.823 -0.114 0.000 0.657 289 V HN 0.545 nan 8.190 nan 0.000 0.455 290 R N -0.676 119.566 120.500 -0.431 0.000 2.189 290 R HA 0.002 4.342 4.340 0.001 0.000 0.218 290 R C 2.147 178.261 176.300 -0.310 0.000 1.074 290 R CA 0.781 56.517 56.100 -0.607 0.000 0.991 290 R CB -0.249 29.394 30.300 -1.094 0.000 0.883 290 R HN 0.365 nan 8.270 nan 0.000 0.457 291 I N 0.290 120.721 120.570 -0.232 0.000 2.264 291 I HA -0.253 3.918 4.170 0.001 0.000 0.248 291 I C 1.530 177.417 176.117 -0.384 0.000 1.111 291 I CA 1.761 62.834 61.300 -0.379 0.000 1.382 291 I CB -0.609 36.932 38.000 -0.764 0.000 1.060 291 I HN 0.095 nan 8.210 nan 0.000 0.418 292 F N 0.288 120.252 119.950 0.023 0.000 2.743 292 F HA 0.146 4.673 4.527 0.000 0.000 0.297 292 F C 1.215 177.154 175.800 0.232 0.000 1.131 292 F CA -0.015 58.078 58.000 0.155 0.000 1.426 292 F CB -0.453 38.688 39.000 0.235 0.000 1.116 292 F HN -0.162 nan 8.300 nan 0.000 0.583 293 L N 2.802 124.170 121.223 0.242 0.000 2.371 293 L HA 0.276 4.616 4.340 0.001 0.000 0.272 293 L C -2.056 174.832 176.870 0.031 0.000 1.124 293 L CA -2.207 52.749 54.840 0.193 0.000 0.816 293 L CB 0.310 42.405 42.059 0.060 0.000 1.129 293 L HN -0.273 nan 8.230 nan 0.000 0.448 294 P HA -0.049 nan 4.420 nan 0.000 0.263 294 P C -0.218 177.037 177.300 -0.075 0.000 1.195 294 P CA 0.057 62.930 63.100 -0.378 0.000 0.762 294 P CB 0.795 31.963 31.700 -0.886 0.000 0.799 295 S N 4.079 119.814 115.700 0.057 0.000 2.546 295 S HA -0.028 4.442 4.470 0.001 0.000 0.290 295 S C 0.749 175.439 174.600 0.150 0.000 1.290 295 S CA -0.136 58.150 58.200 0.142 0.000 1.069 295 S CB -0.581 62.761 63.200 0.236 0.000 0.846 295 S HN 0.400 nan 8.310 nan 0.000 0.495 296 R N 1.614 122.233 120.500 0.198 0.000 3.387 296 R HA -0.181 4.159 4.340 0.001 0.000 0.254 296 R C 1.147 177.509 176.300 0.103 0.000 1.006 296 R CA 0.830 57.024 56.100 0.156 0.000 0.677 296 R CB -2.636 27.756 30.300 0.153 0.000 1.063 296 R HN 0.807 nan 8.270 nan 0.000 0.453 297 S N -1.723 114.031 115.700 0.091 0.000 2.470 297 S HA 0.159 4.630 4.470 0.001 0.000 0.222 297 S C 1.493 176.218 174.600 0.209 0.000 1.024 297 S CA 0.499 58.767 58.200 0.112 0.000 0.931 297 S CB 0.880 64.103 63.200 0.038 0.000 0.791 297 S HN 0.838 nan 8.310 nan 0.000 0.513 298 G N 2.213 111.109 108.800 0.161 0.000 2.143 298 G HA2 -0.284 3.676 3.960 0.001 0.000 0.248 298 G HA3 -0.284 3.676 3.960 0.001 0.000 0.248 298 G C 0.533 175.657 174.900 0.373 0.000 0.991 298 G CA 0.392 45.610 45.100 0.197 0.000 0.689 298 G HN 1.040 nan 8.290 nan 0.000 0.522 299 I N -0.913 119.843 120.570 0.310 0.000 3.428 299 I HA 0.403 4.573 4.170 0.001 0.000 0.286 299 I C 1.068 177.418 176.117 0.389 0.000 1.287 299 I CA 0.671 62.210 61.300 0.398 0.000 1.396 299 I CB 0.044 38.273 38.000 0.383 0.000 1.062 299 I HN 0.437 nan 8.210 nan 0.000 0.471 300 S N 0.116 115.945 115.700 0.216 0.000 2.671 300 S HA 0.779 5.249 4.470 0.001 0.000 0.299 300 S C 0.700 175.101 174.600 -0.331 0.000 1.116 300 S CA -0.280 57.949 58.200 0.048 0.000 0.912 300 S CB 1.830 65.095 63.200 0.108 0.000 1.130 300 S HN 0.145 nan 8.310 nan 0.000 0.501 301 A N -0.245 122.223 122.820 -0.587 0.000 2.169 301 A HA 0.299 4.619 4.320 0.001 0.000 0.212 301 A C 0.151 177.449 177.584 -0.476 0.000 1.153 301 A CA 0.163 51.720 52.037 -0.801 0.000 0.756 301 A CB -0.834 17.804 19.000 -0.603 0.000 0.813 301 A HN 0.725 nan 8.150 nan 0.000 0.471 302 Y N 1.278 121.423 120.300 -0.260 0.000 2.550 302 Y HA 0.069 4.619 4.550 0.001 0.000 0.343 302 Y C 1.712 177.516 175.900 -0.161 0.000 1.245 302 Y CA 0.111 58.089 58.100 -0.204 0.000 1.462 302 Y CB 0.441 38.754 38.460 -0.245 0.000 1.340 302 Y HN 0.455 nan 8.280 nan 0.000 0.604 303 D N 0.194 120.628 120.400 0.058 0.000 2.218 303 D HA -0.100 4.540 4.640 0.001 0.000 0.204 303 D C -0.176 176.153 176.300 0.047 0.000 0.976 303 D CA 1.349 55.368 54.000 0.031 0.000 0.853 303 D CB 0.148 40.973 40.800 0.042 0.000 0.939 303 D HN 0.370 nan 8.370 nan 0.000 0.481 304 L N -0.354 120.891 121.223 0.037 0.000 2.513 304 L HA 0.338 4.678 4.340 0.001 0.000 0.261 304 L C -1.133 175.612 176.870 -0.208 0.000 0.945 304 L CA -0.959 53.916 54.840 0.058 0.000 0.848 304 L CB 2.592 44.854 42.059 0.338 0.000 1.334 304 L HN -0.263 nan 8.230 nan 0.000 0.407 305 E N 1.020 121.138 120.200 -0.137 0.000 2.249 305 E HA 0.256 4.606 4.350 0.001 0.000 0.280 305 E C -0.582 175.826 176.600 -0.320 0.000 1.016 305 E CA -0.292 55.922 56.400 -0.310 0.000 0.830 305 E CB 1.219 30.855 29.700 -0.107 0.000 1.081 305 E HN 0.283 nan 8.360 nan 0.000 0.395 306 Y N 1.142 121.165 120.300 -0.462 0.000 2.301 306 Y HA 0.187 4.737 4.550 0.001 0.000 0.295 306 Y C 1.858 177.507 175.900 -0.418 0.000 1.119 306 Y CA 0.695 58.286 58.100 -0.848 0.000 1.162 306 Y CB -0.294 37.644 38.460 -0.870 0.000 1.046 306 Y HN 0.779 nan 8.280 nan 0.000 0.538 307 G N -0.234 108.537 108.800 -0.049 0.000 2.249 307 G HA2 -0.298 3.663 3.960 0.001 0.000 0.273 307 G HA3 -0.298 3.663 3.960 0.001 0.000 0.273 307 G C 1.032 175.946 174.900 0.022 0.000 1.036 307 G CA 0.684 45.817 45.100 0.055 0.000 0.824 307 G HN 0.354 nan 8.290 nan 0.000 0.504 308 S N -1.395 114.255 115.700 -0.083 0.000 2.496 308 S HA 0.280 4.750 4.470 0.001 0.000 0.224 308 S C 0.558 175.122 174.600 -0.061 0.000 0.996 308 S CA 0.808 58.958 58.200 -0.084 0.000 0.927 308 S CB 0.395 63.466 63.200 -0.216 0.000 0.774 308 S HN 0.617 nan 8.310 nan 0.000 0.524 309 L N 2.276 123.419 121.223 -0.133 0.000 2.457 309 L HA 0.506 4.847 4.340 0.001 0.000 0.266 309 L C -1.670 175.205 176.870 0.008 0.000 0.979 309 L CA -0.234 54.544 54.840 -0.104 0.000 0.857 309 L CB 1.198 43.091 42.059 -0.276 0.000 1.213 309 L HN -0.051 nan 8.230 nan 0.000 0.418 310 I N 6.560 127.127 120.570 -0.006 0.000 2.465 310 I HA 0.498 4.668 4.170 0.001 0.000 0.291 310 I C -2.308 173.800 176.117 -0.014 0.000 1.014 310 I CA -2.154 59.149 61.300 0.005 0.000 1.093 310 I CB 1.929 39.911 38.000 -0.030 0.000 1.267 310 I HN 0.375 nan 8.210 nan 0.000 0.431 311 P HA 0.151 nan 4.420 nan 0.000 0.274 311 P C -0.186 177.220 177.300 0.176 0.000 1.231 311 P CA -0.060 63.123 63.100 0.139 0.000 0.790 311 P CB 0.472 32.291 31.700 0.199 0.000 0.951 312 T N -1.517 113.220 114.554 0.305 0.000 2.907 312 T HA 0.121 4.471 4.350 0.001 0.000 0.298 312 T C 1.307 176.137 174.700 0.217 0.000 1.017 312 T CA -0.614 61.652 62.100 0.276 0.000 1.118 312 T CB 0.872 69.935 68.868 0.326 0.000 0.948 312 T HN 0.488 nan 8.240 nan 0.000 0.531 313 K N 1.342 121.862 120.400 0.200 0.000 2.074 313 K HA -0.244 4.077 4.320 0.001 0.000 0.209 313 K C 1.749 178.428 176.600 0.131 0.000 1.048 313 K CA 2.034 58.457 56.287 0.225 0.000 0.926 313 K CB -0.174 32.445 32.500 0.198 0.000 0.713 313 K HN 0.741 nan 8.250 nan 0.000 0.444 314 E N -0.033 120.248 120.200 0.135 0.000 2.110 314 E HA -0.161 4.189 4.350 0.001 0.000 0.193 314 E C 1.620 178.340 176.600 0.201 0.000 0.988 314 E CA 1.316 57.789 56.400 0.122 0.000 0.804 314 E CB -0.291 29.456 29.700 0.079 0.000 0.745 314 E HN 0.344 nan 8.360 nan 0.000 0.458 315 F N 0.451 120.476 119.950 0.124 0.000 2.113 315 F HA -0.142 4.386 4.527 0.001 0.000 0.297 315 F C 1.967 177.919 175.800 0.255 0.000 1.103 315 F CA 0.821 58.950 58.000 0.215 0.000 1.248 315 F CB -0.406 38.775 39.000 0.301 0.000 0.999 315 F HN -0.160 nan 8.300 nan 0.000 0.475 316 V N 0.538 120.386 119.914 -0.111 0.000 2.332 316 V HA -0.299 3.822 4.120 0.001 0.000 0.248 316 V C 2.024 177.928 176.094 -0.317 0.000 1.055 316 V CA 2.325 64.288 62.300 -0.562 0.000 1.038 316 V CB -0.715 30.382 31.823 -1.209 0.000 0.651 316 V HN 0.336 nan 8.190 nan 0.000 0.450 317 E N 0.287 120.387 120.200 -0.167 0.000 2.511 317 E HA -0.075 4.275 4.350 0.001 0.000 0.196 317 E C 2.095 178.698 176.600 0.005 0.000 1.066 317 E CA 0.887 57.245 56.400 -0.069 0.000 0.871 317 E CB -0.059 29.639 29.700 -0.003 0.000 0.863 317 E HN 0.757 nan 8.360 nan 0.000 0.520 318 S N 0.037 115.766 115.700 0.048 0.000 2.527 318 S HA 0.006 4.476 4.470 0.001 0.000 0.222 318 S C 0.553 175.150 174.600 -0.005 0.000 0.985 318 S CA -0.283 57.958 58.200 0.069 0.000 0.921 318 S CB -0.216 63.068 63.200 0.141 0.000 0.772 318 S HN -0.025 nan 8.310 nan 0.000 0.529 319 F N 3.004 122.746 119.950 -0.346 0.000 2.553 319 F HA 0.305 4.832 4.527 0.001 0.000 0.356 319 F C 1.065 176.611 175.800 -0.423 0.000 1.142 319 F CA -0.847 56.733 58.000 -0.701 0.000 1.322 319 F CB 0.216 38.859 39.000 -0.595 0.000 1.126 319 F HN 0.196 nan 8.300 nan 0.000 0.599 320 E N 1.336 121.361 120.200 -0.291 0.000 2.442 320 E HA -0.028 4.322 4.350 0.001 0.000 0.262 320 E C -0.161 176.403 176.600 -0.059 0.000 1.004 320 E CA -0.251 56.076 56.400 -0.122 0.000 0.928 320 E CB 0.652 30.289 29.700 -0.105 0.000 0.937 320 E HN 0.343 nan 8.360 nan 0.000 0.446 321 K N 2.485 122.867 120.400 -0.029 0.000 2.489 321 K HA 0.106 4.426 4.320 0.001 0.000 0.278 321 K C 0.802 177.393 176.600 -0.016 0.000 1.000 321 K CA 1.002 57.278 56.287 -0.018 0.000 1.012 321 K CB -0.008 32.489 32.500 -0.006 0.000 0.903 321 K HN 0.878 nan 8.250 nan 0.000 0.485 322 G N 2.273 111.063 108.800 -0.017 0.000 2.162 322 G HA2 -0.248 3.712 3.960 0.001 0.000 0.260 322 G HA3 -0.248 3.712 3.960 0.001 0.000 0.260 322 G C -0.006 174.886 174.900 -0.013 0.000 0.976 322 G CA 0.348 45.441 45.100 -0.010 0.000 0.655 322 G HN 0.855 nan 8.290 nan 0.000 0.533 323 D N 0.454 120.836 120.400 -0.029 0.000 2.450 323 D HA 0.141 4.782 4.640 0.001 0.000 0.247 323 D C 1.501 177.773 176.300 -0.045 0.000 1.162 323 D CA 0.128 54.111 54.000 -0.027 0.000 0.879 323 D CB 0.699 41.485 40.800 -0.022 0.000 1.163 323 D HN 0.365 nan 8.370 nan 0.000 0.472 324 K N 3.737 124.136 120.400 -0.002 0.000 2.160 324 K HA -0.194 4.126 4.320 0.001 0.000 0.206 324 K C 1.725 178.269 176.600 -0.092 0.000 1.047 324 K CA 1.097 57.394 56.287 0.017 0.000 0.930 324 K CB 0.202 32.779 32.500 0.129 0.000 0.720 324 K HN 0.361 nan 8.250 nan 0.000 0.450 325 R N -0.379 119.963 120.500 -0.263 0.000 2.152 325 R HA -0.076 4.264 4.340 0.001 0.000 0.232 325 R C 1.837 177.855 176.300 -0.470 0.000 1.117 325 R CA 1.752 57.460 56.100 -0.653 0.000 0.981 325 R CB -0.200 29.626 30.300 -0.790 0.000 0.870 325 R HN 0.385 nan 8.270 nan 0.000 0.451 326 T N -2.189 112.151 114.554 -0.357 0.000 3.122 326 T HA 0.144 4.494 4.350 0.001 0.000 0.250 326 T C 0.254 174.901 174.700 -0.088 0.000 1.067 326 T CA -0.282 61.674 62.100 -0.241 0.000 0.966 326 T CB 0.112 68.746 68.868 -0.390 0.000 1.002 326 T HN 0.103 nan 8.240 nan 0.000 0.542 327 E N 1.956 122.115 120.200 -0.069 0.000 2.366 327 E HA 0.249 4.599 4.350 0.001 0.000 0.266 327 E C -0.098 176.509 176.600 0.012 0.000 1.051 327 E CA -0.592 55.800 56.400 -0.014 0.000 0.884 327 E CB 0.602 30.299 29.700 -0.004 0.000 1.006 327 E HN 0.272 nan 8.360 nan 0.000 0.417 328 E N 2.354 122.570 120.200 0.027 0.000 2.529 328 E HA -0.150 4.201 4.350 0.001 0.000 0.259 328 E C -0.717 175.848 176.600 -0.059 0.000 0.966 328 E CA 0.675 57.089 56.400 0.022 0.000 0.937 328 E CB 0.064 29.782 29.700 0.031 0.000 0.923 328 E HN 0.448 nan 8.360 nan 0.000 0.468 329 K N 2.322 122.613 120.400 -0.183 0.000 3.117 329 K HA -0.251 4.070 4.320 0.001 0.000 0.269 329 K C 0.233 176.827 176.600 -0.009 0.000 1.098 329 K CA 0.647 56.635 56.287 -0.499 0.000 0.785 329 K CB -0.781 31.322 32.500 -0.661 0.000 1.242 329 K HN 0.560 nan 8.250 nan 0.000 0.491 330 Q N -0.800 119.033 119.800 0.055 0.000 2.679 330 Q HA 0.148 4.488 4.340 0.001 0.000 0.255 330 Q C 1.356 177.433 176.000 0.129 0.000 1.053 330 Q CA 0.470 56.335 55.803 0.103 0.000 0.620 330 Q CB -0.429 28.297 28.738 -0.020 0.000 3.775 330 Q HN 0.309 nan 8.270 nan 0.000 0.446 331 Y N -0.627 119.446 120.300 -0.379 0.000 2.475 331 Y HA 0.128 4.679 4.550 0.001 0.000 0.289 331 Y C 0.506 175.922 175.900 -0.807 0.000 1.121 331 Y CA -0.046 57.621 58.100 -0.721 0.000 1.257 331 Y CB 0.265 38.070 38.460 -1.091 0.000 1.026 331 Y HN 0.032 nan 8.280 nan 0.000 0.555 332 F N -0.711 119.366 119.950 0.212 0.000 2.593 332 F HA 0.492 5.019 4.527 0.001 0.000 0.320 332 F C -0.521 175.460 175.800 0.302 0.000 1.060 332 F CA -2.002 56.157 58.000 0.264 0.000 0.940 332 F CB 1.594 40.656 39.000 0.102 0.000 1.268 332 F HN -0.276 nan 8.300 nan 0.000 0.475 333 F N -1.670 118.445 119.950 0.275 0.000 2.626 333 F HA 0.710 5.237 4.527 0.001 0.000 0.311 333 F C -0.018 175.921 175.800 0.231 0.000 1.088 333 F CA -1.239 56.801 58.000 0.067 0.000 0.949 333 F CB 1.531 40.348 39.000 -0.304 0.000 1.322 333 F HN 0.451 nan 8.300 nan 0.000 0.461 334 T N -1.981 112.613 114.554 0.067 0.000 3.080 334 T HA 0.337 4.687 4.350 0.001 0.000 0.280 334 T C -0.500 174.154 174.700 -0.075 0.000 0.926 334 T CA 0.434 62.523 62.100 -0.018 0.000 0.883 334 T CB -0.886 68.002 68.868 0.034 0.000 1.194 334 T HN 0.972 nan 8.240 nan 0.000 0.541 335 N N -0.460 118.218 118.700 -0.037 0.000 2.494 335 N HA 0.672 5.413 4.740 0.001 0.000 0.270 335 N C -1.518 174.047 175.510 0.091 0.000 1.285 335 N CA -0.848 52.121 53.050 -0.135 0.000 0.812 335 N CB 1.533 39.873 38.487 -0.245 0.000 1.557 335 N HN 0.123 nan 8.380 nan 0.000 0.487 336 Y N -0.791 119.385 120.300 -0.206 0.000 3.008 336 Y HA 0.523 5.073 4.550 0.001 0.000 0.306 336 Y C -1.314 174.511 175.900 -0.125 0.000 1.643 336 Y CA -0.774 57.309 58.100 -0.027 0.000 1.087 336 Y CB 1.316 39.907 38.460 0.218 0.000 1.760 336 Y HN 0.593 nan 8.280 nan 0.000 0.438 337 K N 0.507 120.797 120.400 -0.183 0.000 2.328 337 K HA 0.606 4.926 4.320 0.001 0.000 0.246 337 K C -0.637 176.021 176.600 0.096 0.000 0.955 337 K CA -0.923 55.294 56.287 -0.116 0.000 0.817 337 K CB 1.864 34.256 32.500 -0.179 0.000 1.208 337 K HN 0.807 nan 8.250 nan 0.000 0.432 338 G N 1.080 109.869 108.800 -0.018 0.000 2.441 338 G HA2 -0.039 3.921 3.960 0.001 0.000 0.243 338 G HA3 -0.039 3.921 3.960 0.001 0.000 0.243 338 G C -0.416 174.677 174.900 0.321 0.000 1.281 338 G CA -0.076 45.116 45.100 0.154 0.000 0.854 338 G HN 0.578 nan 8.290 nan 0.000 0.560 339 H N 3.263 122.559 119.070 0.377 0.000 2.652 339 H HA 0.123 4.679 4.556 0.001 0.000 0.349 339 H C -1.466 174.009 175.328 0.246 0.000 1.099 339 H CA -1.505 54.696 56.048 0.256 0.000 1.417 339 H CB 1.981 31.861 29.762 0.197 0.000 1.457 339 H HN 0.151 nan 8.280 nan 0.000 0.568 340 P HA -0.149 nan 4.420 nan 0.000 0.221 340 P C 1.304 178.677 177.300 0.122 0.000 1.145 340 P CA 1.476 64.570 63.100 -0.010 0.000 0.795 340 P CB 0.122 31.742 31.700 -0.134 0.000 0.775 341 S N -1.806 114.075 115.700 0.301 0.000 2.561 341 S HA 0.052 4.522 4.470 0.001 0.000 0.225 341 S C 1.556 176.224 174.600 0.114 0.000 0.977 341 S CA 0.519 58.854 58.200 0.225 0.000 0.926 341 S CB -0.482 62.871 63.200 0.255 0.000 0.769 341 S HN 0.036 nan 8.310 nan 0.000 0.533 342 K N -0.048 120.421 120.400 0.115 0.000 2.367 342 K HA 0.391 4.711 4.320 0.001 0.000 0.195 342 K C -0.761 175.533 176.600 -0.510 0.000 1.060 342 K CA 0.180 56.360 56.287 -0.178 0.000 1.022 342 K CB 0.298 32.686 32.500 -0.187 0.000 0.894 342 K HN 0.435 nan 8.250 nan 0.000 0.540 343 F N 0.591 120.584 119.950 0.072 0.000 2.576 343 F HA 0.284 4.811 4.527 0.001 0.000 0.313 343 F C 0.394 176.217 175.800 0.038 0.000 1.078 343 F CA -0.987 57.044 58.000 0.051 0.000 0.921 343 F CB 1.556 40.586 39.000 0.050 0.000 1.232 343 F HN -0.331 nan 8.300 nan 0.000 0.459 344 S N 2.426 118.249 115.700 0.205 0.000 2.568 344 S HA 0.216 4.686 4.470 0.001 0.000 0.282 344 S C -2.475 172.196 174.600 0.117 0.000 1.338 344 S CA -0.884 57.389 58.200 0.123 0.000 1.045 344 S CB 0.058 63.314 63.200 0.093 0.000 0.873 344 S HN 0.238 nan 8.310 nan 0.000 0.516 345 P HA 0.139 nan 4.420 nan 0.000 0.265 345 P C 1.035 178.365 177.300 0.049 0.000 1.187 345 P CA 1.039 64.172 63.100 0.056 0.000 0.766 345 P CB 0.087 31.810 31.700 0.038 0.000 0.820 346 G N 1.271 110.093 108.800 0.036 0.000 2.189 346 G HA2 -0.245 3.716 3.960 0.001 0.000 0.267 346 G HA3 -0.245 3.716 3.960 0.001 0.000 0.267 346 G C 0.506 175.422 174.900 0.027 0.000 0.975 346 G CA 0.125 45.241 45.100 0.026 0.000 0.644 346 G HN 0.871 nan 8.290 nan 0.000 0.537 347 A N 0.013 122.860 122.820 0.045 0.000 2.498 347 A HA 0.745 5.066 4.320 0.001 0.000 0.239 347 A C 1.770 179.333 177.584 -0.035 0.000 1.068 347 A CA 0.978 53.035 52.037 0.032 0.000 0.766 347 A CB 0.384 19.447 19.000 0.104 0.000 1.003 347 A HN 1.760 nan 8.150 nan 0.000 0.497 348 A N 1.795 124.589 122.820 -0.042 0.000 1.933 348 A HA -0.102 4.219 4.320 0.001 0.000 0.218 348 A C 1.683 179.200 177.584 -0.112 0.000 1.175 348 A CA 2.004 54.012 52.037 -0.048 0.000 0.628 348 A CB -0.553 18.437 19.000 -0.017 0.000 0.814 348 A HN 0.883 nan 8.150 nan 0.000 0.444 349 E N 0.235 120.274 120.200 -0.268 0.000 2.171 349 E HA -0.171 4.180 4.350 0.001 0.000 0.197 349 E C 1.720 178.074 176.600 -0.410 0.000 0.997 349 E CA 1.059 57.155 56.400 -0.506 0.000 0.810 349 E CB -0.450 28.473 29.700 -1.296 0.000 0.738 349 E HN 0.682 nan 8.360 nan 0.000 0.467 350 L N 0.695 121.749 121.223 -0.283 0.000 2.201 350 L HA -0.154 4.186 4.340 0.001 0.000 0.212 350 L C 2.088 178.914 176.870 -0.073 0.000 1.105 350 L CA 0.935 55.698 54.840 -0.128 0.000 0.775 350 L CB -0.264 41.769 42.059 -0.044 0.000 0.913 350 L HN 0.133 nan 8.230 nan 0.000 0.440 351 E N -0.966 119.207 120.200 -0.045 0.000 2.102 351 E HA 0.070 4.420 4.350 0.001 0.000 0.190 351 E C 0.173 176.836 176.600 0.105 0.000 0.971 351 E CA 0.643 57.053 56.400 0.017 0.000 0.821 351 E CB 0.491 30.208 29.700 0.028 0.000 0.777 351 E HN 0.247 nan 8.360 nan 0.000 0.460 355 L N 2.535 123.682 121.223 -0.127 0.000 2.554 355 L HA 0.194 4.535 4.340 0.001 0.000 0.226 355 L C 0.549 177.455 176.870 0.059 0.000 1.137 355 L CA 0.134 54.928 54.840 -0.077 0.000 0.863 355 L CB -0.698 41.240 42.059 -0.202 0.000 0.985 355 L HN 0.508 nan 8.230 nan 0.000 0.451 356 N N 0.328 119.036 118.700 0.013 0.000 2.740 356 N HA -0.133 4.607 4.740 0.001 0.000 0.248 356 N C 0.083 175.576 175.510 -0.028 0.000 1.062 356 N CA 0.446 53.495 53.050 -0.001 0.000 0.704 356 N CB -1.086 37.415 38.487 0.022 0.000 0.968 356 N HN 0.598 nan 8.380 nan 0.000 0.547 357 G N -1.506 107.237 108.800 -0.095 0.000 2.316 357 G HA2 0.324 4.285 3.960 0.001 0.000 0.296 357 G HA3 0.324 4.285 3.960 0.001 0.000 0.296 357 G C -1.770 172.913 174.900 -0.362 0.000 1.399 357 G CA -1.110 43.814 45.100 -0.293 0.000 0.833 357 G HN 0.072 nan 8.290 nan 0.000 0.565 358 Y N -0.201 119.927 120.300 -0.286 0.000 2.304 358 Y HA 0.664 5.214 4.550 0.001 0.000 0.328 358 Y C 0.057 175.648 175.900 -0.515 0.000 1.123 358 Y CA -0.092 57.859 58.100 -0.249 0.000 1.218 358 Y CB 0.974 39.286 38.460 -0.246 0.000 1.207 358 Y HN 0.482 nan 8.280 nan 0.000 0.495 359 Y N 1.457 121.862 120.300 0.174 0.000 2.545 359 Y HA 0.502 5.052 4.550 0.000 0.000 0.348 359 Y C -0.407 175.836 175.900 0.572 0.000 1.002 359 Y CA -1.375 56.857 58.100 0.220 0.000 1.039 359 Y CB 1.348 39.744 38.460 -0.107 0.000 1.271 359 Y HN 0.360 nan 8.280 nan 0.000 0.467 360 I N 2.461 123.445 120.570 0.691 0.000 2.505 360 I HA -0.082 4.089 4.170 0.001 0.000 0.287 360 I C 0.029 176.452 176.117 0.510 0.000 1.104 360 I CA 0.502 62.107 61.300 0.508 0.000 1.387 360 I CB 0.297 38.444 38.000 0.246 0.000 1.404 360 I HN 0.681 nan 8.210 nan 0.000 0.528 361 Y N 6.114 126.492 120.300 0.131 0.000 2.449 361 Y HA 0.093 4.643 4.550 0.001 0.000 0.254 361 Y C 2.061 177.791 175.900 -0.283 0.000 1.140 361 Y CA 0.319 58.317 58.100 -0.169 0.000 1.272 361 Y CB 0.066 38.374 38.460 -0.253 0.000 1.114 361 Y HN 0.516 nan 8.280 nan 0.000 0.525 362 K N -0.258 119.850 120.400 -0.487 0.000 2.160 362 K HA -0.174 4.146 4.320 0.001 0.000 0.206 362 K C 0.009 176.081 176.600 -0.881 0.000 1.047 362 K CA 1.693 57.454 56.287 -0.876 0.000 0.930 362 K CB -0.208 31.376 32.500 -1.527 0.000 0.720 362 K HN 0.264 nan 8.250 nan 0.000 0.450 363 F N -0.727 119.021 119.950 -0.336 0.000 2.791 363 F HA 0.216 4.743 4.527 0.001 0.000 0.308 363 F C -0.275 175.395 175.800 -0.218 0.000 1.138 363 F CA -0.944 56.896 58.000 -0.267 0.000 1.294 363 F CB -0.034 38.745 39.000 -0.368 0.000 0.975 363 F HN -0.158 nan 8.300 nan 0.000 0.512 364 F N 2.589 122.300 119.950 -0.398 0.000 2.566 364 F HA 0.190 4.718 4.527 0.001 0.000 0.349 364 F C 0.752 176.351 175.800 -0.335 0.000 1.245 364 F CA -0.959 56.740 58.000 -0.500 0.000 1.169 364 F CB -0.217 38.086 39.000 -1.162 0.000 1.470 364 F HN -0.083 nan 8.300 nan 0.000 0.634 365 D N 4.385 124.648 120.400 -0.229 0.000 2.357 365 D HA -0.077 4.564 4.640 0.001 0.000 0.265 365 D C 1.192 177.350 176.300 -0.236 0.000 1.334 365 D CA 0.502 54.410 54.000 -0.154 0.000 0.984 365 D CB 0.716 41.452 40.800 -0.106 0.000 1.077 365 D HN 0.748 nan 8.370 nan 0.000 0.514 366 Q N 2.573 122.337 119.800 -0.061 0.000 2.119 366 Q HA -0.122 4.219 4.340 0.001 0.000 0.201 366 Q C 1.704 177.711 176.000 0.012 0.000 0.972 366 Q CA 1.076 56.915 55.803 0.060 0.000 0.847 366 Q CB 0.283 29.172 28.738 0.253 0.000 0.903 366 Q HN 0.439 nan 8.270 nan 0.000 0.433 367 V N 0.824 120.734 119.914 -0.008 0.000 2.343 367 V HA -0.292 3.828 4.120 0.001 0.000 0.247 367 V C 2.298 178.338 176.094 -0.090 0.000 1.051 367 V CA 1.817 64.103 62.300 -0.024 0.000 1.036 367 V CB -1.014 30.797 31.823 -0.020 0.000 0.654 367 V HN 0.530 nan 8.190 nan 0.000 0.451 368 A N -0.359 122.377 122.820 -0.139 0.000 1.898 368 A HA -0.132 4.189 4.320 0.001 0.000 0.216 368 A C 2.366 179.755 177.584 -0.325 0.000 1.181 368 A CA 2.036 53.944 52.037 -0.214 0.000 0.620 368 A CB -0.579 18.339 19.000 -0.136 0.000 0.819 368 A HN 0.341 nan 8.150 nan 0.000 0.442 369 V N 0.454 120.195 119.914 -0.287 0.000 2.323 369 V HA -0.170 3.951 4.120 0.001 0.000 0.244 369 V C 1.974 178.005 176.094 -0.105 0.000 1.041 369 V CA 2.182 64.309 62.300 -0.288 0.000 1.025 369 V CB -0.720 30.697 31.823 -0.677 0.000 0.656 369 V HN 0.467 nan 8.190 nan 0.000 0.451 370 D N -0.598 119.826 120.400 0.040 0.000 2.234 370 D HA -0.032 4.608 4.640 0.001 0.000 0.205 370 D C 1.711 178.135 176.300 0.207 0.000 0.962 370 D CA 1.172 55.309 54.000 0.227 0.000 0.855 370 D CB 0.086 41.025 40.800 0.233 0.000 0.951 370 D HN 0.566 nan 8.370 nan 0.000 0.500 371 N N -1.786 116.935 118.700 0.035 0.000 3.013 371 N HA -0.044 4.696 4.740 0.001 0.000 0.250 371 N C 1.452 176.909 175.510 -0.088 0.000 0.997 371 N CA 0.768 53.833 53.050 0.025 0.000 1.052 371 N CB 0.610 39.104 38.487 0.012 0.000 1.663 371 N HN 0.003 nan 8.380 nan 0.000 0.641 372 T N -1.711 112.744 114.554 -0.165 0.000 3.044 372 T HA 0.398 4.748 4.350 0.001 0.000 0.255 372 T C 1.175 175.681 174.700 -0.324 0.000 1.073 372 T CA 0.625 62.605 62.100 -0.201 0.000 1.125 372 T CB 0.194 68.958 68.868 -0.173 0.000 0.908 372 T HN 0.290 nan 8.240 nan 0.000 0.480 373 A N 1.027 123.519 122.820 -0.547 0.000 2.860 373 A HA -0.164 4.157 4.320 0.001 0.000 0.267 373 A C 0.312 177.650 177.584 -0.410 0.000 1.421 373 A CA 1.269 52.754 52.037 -0.921 0.000 0.831 373 A CB -2.454 16.081 19.000 -0.774 0.000 1.041 373 A HN 0.670 nan 8.150 nan 0.000 0.623 374 K N 0.298 120.510 120.400 -0.312 0.000 2.756 374 K HA 0.347 4.667 4.320 0.001 0.000 0.218 374 K C -0.338 176.115 176.600 -0.246 0.000 1.057 374 K CA 0.256 56.339 56.287 -0.340 0.000 1.056 374 K CB 1.403 33.552 32.500 -0.586 0.000 1.235 374 K HN 0.421 nan 8.250 nan 0.000 0.547 375 S N 1.909 117.551 115.700 -0.097 0.000 2.528 375 S HA 0.055 4.525 4.470 0.001 0.000 0.277 375 S C 0.350 174.933 174.600 -0.029 0.000 1.297 375 S CA -0.379 57.779 58.200 -0.069 0.000 1.052 375 S CB 0.367 63.526 63.200 -0.067 0.000 0.917 375 S HN 0.569 nan 8.310 nan 0.000 0.492 376 D N 4.251 124.654 120.400 0.005 0.000 2.643 376 D HA 0.130 4.770 4.640 0.001 0.000 0.244 376 D C -0.101 176.265 176.300 0.110 0.000 1.257 376 D CA -0.456 53.600 54.000 0.094 0.000 0.831 376 D CB -0.280 40.563 40.800 0.073 0.000 1.043 376 D HN 0.341 nan 8.370 nan 0.000 0.488 377 L N 1.026 122.292 121.223 0.072 0.000 2.281 377 L HA 0.347 4.688 4.340 0.001 0.000 0.285 377 L C -0.241 176.744 176.870 0.191 0.000 1.074 377 L CA -0.352 54.540 54.840 0.086 0.000 0.817 377 L CB 0.522 42.608 42.059 0.044 0.000 1.168 377 L HN -0.173 nan 8.230 nan 0.000 0.434 378 N N 4.206 123.003 118.700 0.162 0.000 2.415 378 N HA 0.081 4.821 4.740 0.001 0.000 0.248 378 N C -1.186 174.453 175.510 0.215 0.000 1.271 378 N CA -0.074 53.098 53.050 0.205 0.000 0.913 378 N CB 0.510 38.965 38.487 -0.053 0.000 1.129 378 N HN 0.669 nan 8.380 nan 0.000 0.444 379 W N 1.585 122.946 121.300 0.102 0.000 2.376 379 W HA 0.312 4.972 4.660 0.001 0.000 0.312 379 W C -0.822 175.657 176.519 -0.067 0.000 1.060 379 W CA -0.560 56.788 57.345 0.005 0.000 1.221 379 W CB 0.842 30.381 29.460 0.133 0.000 1.281 379 W HN 0.269 nan 8.180 nan 0.000 0.456 380 S N 3.422 118.760 115.700 -0.604 0.000 2.549 380 S HA 0.080 4.550 4.470 0.001 0.000 0.279 380 S C 0.834 175.190 174.600 -0.406 0.000 1.321 380 S CA -0.523 57.421 58.200 -0.426 0.000 1.054 380 S CB 2.122 65.175 63.200 -0.245 0.000 0.899 380 S HN 0.460 nan 8.310 nan 0.000 0.497 381 V N 2.477 122.304 119.914 -0.145 0.000 2.581 381 V HA 0.170 4.291 4.120 0.001 0.000 0.240 381 V C -0.592 175.275 176.094 -0.378 0.000 1.054 381 V CA 0.959 63.157 62.300 -0.170 0.000 1.076 381 V CB -0.200 31.625 31.823 0.004 0.000 0.748 381 V HN 0.764 nan 8.190 nan 0.000 0.474 382 Y N 0.883 121.283 120.300 0.167 0.000 2.406 382 Y HA 0.682 5.232 4.550 0.001 0.000 0.340 382 Y C 0.189 176.192 175.900 0.171 0.000 0.975 382 Y CA -1.324 56.869 58.100 0.155 0.000 1.056 382 Y CB 1.478 40.024 38.460 0.143 0.000 1.210 382 Y HN 0.210 nan 8.280 nan 0.000 0.448 383 R N 0.908 121.605 120.500 0.328 0.000 2.888 383 R HA 0.401 4.742 4.340 0.001 0.000 0.266 383 R C -0.280 176.148 176.300 0.213 0.000 1.020 383 R CA -0.791 55.480 56.100 0.286 0.000 0.963 383 R CB 0.719 31.243 30.300 0.373 0.000 1.197 383 R HN 0.617 nan 8.270 nan 0.000 0.481 384 Y N 1.708 121.979 120.300 -0.048 0.000 2.207 384 Y HA -0.170 4.380 4.550 0.001 0.000 0.287 384 Y C 1.847 177.760 175.900 0.022 0.000 1.156 384 Y CA 2.520 60.582 58.100 -0.063 0.000 1.182 384 Y CB -0.227 38.175 38.460 -0.096 0.000 0.979 384 Y HN 0.794 nan 8.280 nan 0.000 0.521 385 T N -0.168 114.431 114.554 0.074 0.000 2.720 385 T HA -0.226 4.124 4.350 0.001 0.000 0.268 385 T C 1.590 176.327 174.700 0.061 0.000 1.037 385 T CA 1.693 63.813 62.100 0.034 0.000 1.144 385 T CB -0.460 68.490 68.868 0.136 0.000 0.864 385 T HN 0.385 nan 8.240 nan 0.000 0.444 386 D N 0.722 121.201 120.400 0.131 0.000 2.117 386 D HA -0.085 4.555 4.640 0.001 0.000 0.197 386 D C 2.134 178.521 176.300 0.145 0.000 0.987 386 D CA 0.735 54.836 54.000 0.168 0.000 0.829 386 D CB -0.380 40.565 40.800 0.241 0.000 0.961 386 D HN 0.214 nan 8.370 nan 0.000 0.460 387 V N 0.869 120.851 119.914 0.114 0.000 2.343 387 V HA -0.211 3.909 4.120 0.001 0.000 0.247 387 V C 2.791 178.912 176.094 0.044 0.000 1.051 387 V CA 1.099 63.449 62.300 0.084 0.000 1.036 387 V CB -0.485 31.389 31.823 0.084 0.000 0.654 387 V HN 0.282 nan 8.190 nan 0.000 0.451 388 L N -0.801 120.366 121.223 -0.093 0.000 2.012 388 L HA -0.125 4.215 4.340 0.001 0.000 0.210 388 L C 1.416 178.332 176.870 0.077 0.000 1.073 388 L CA 1.177 55.970 54.840 -0.079 0.000 0.748 388 L CB -0.538 41.382 42.059 -0.231 0.000 0.891 388 L HN 0.254 nan 8.230 nan 0.000 0.431 392 A N 1.226 124.104 122.820 0.097 0.000 1.917 392 A HA -0.242 4.079 4.320 0.001 0.000 0.219 392 A C 1.977 179.544 177.584 -0.028 0.000 1.182 392 A CA 2.397 54.474 52.037 0.067 0.000 0.633 392 A CB -0.843 18.269 19.000 0.187 0.000 0.819 392 A HN 0.714 nan 8.150 nan 0.000 0.448 393 E N -0.370 119.821 120.200 -0.015 0.000 2.028 393 E HA -0.088 4.263 4.350 0.001 0.000 0.191 393 E C 2.197 178.739 176.600 -0.096 0.000 0.988 393 E CA 1.059 57.438 56.400 -0.036 0.000 0.799 393 E CB -0.297 29.455 29.700 0.086 0.000 0.755 393 E HN 0.517 nan 8.360 nan 0.000 0.447 394 A N 1.271 124.062 122.820 -0.048 0.000 1.908 394 A HA -0.252 4.068 4.320 0.001 0.000 0.218 394 A C 2.221 179.684 177.584 -0.201 0.000 1.181 394 A CA 1.727 53.749 52.037 -0.024 0.000 0.627 394 A CB -0.701 18.336 19.000 0.062 0.000 0.818 394 A HN 0.370 nan 8.150 nan 0.000 0.445 395 Q N -0.127 119.453 119.800 -0.367 0.000 2.050 395 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 395 Q C 2.158 177.995 176.000 -0.273 0.000 0.980 395 Q CA 2.122 57.678 55.803 -0.411 0.000 0.840 395 Q CB -0.567 27.738 28.738 -0.721 0.000 0.898 395 Q HN 0.413 nan 8.270 nan 0.000 0.424 396 V N 1.858 121.630 119.914 -0.237 0.000 2.427 396 V HA -0.205 3.915 4.120 0.001 0.000 0.248 396 V C 1.990 177.928 176.094 -0.261 0.000 1.051 396 V CA 1.838 64.017 62.300 -0.202 0.000 1.048 396 V CB -0.489 31.281 31.823 -0.088 0.000 0.666 396 V HN 0.387 nan 8.190 nan 0.000 0.456 397 N N 0.236 118.701 118.700 -0.392 0.000 2.171 397 N HA -0.069 4.671 4.740 0.001 0.000 0.184 397 N C 1.865 177.098 175.510 -0.461 0.000 1.021 397 N CA 1.571 54.242 53.050 -0.631 0.000 0.854 397 N CB -0.253 37.374 38.487 -1.434 0.000 0.994 397 N HN 0.561 nan 8.380 nan 0.000 0.426 398 A N 1.514 124.156 122.820 -0.297 0.000 1.841 398 A HA -0.123 4.197 4.320 0.001 0.000 0.214 398 A C 1.647 179.172 177.584 -0.099 0.000 1.195 398 A CA 1.590 53.572 52.037 -0.092 0.000 0.611 398 A CB -0.394 18.585 19.000 -0.035 0.000 0.835 398 A HN 0.138 nan 8.150 nan 0.000 0.443 399 D N -1.512 118.814 120.400 -0.124 0.000 2.347 399 D HA 0.215 4.856 4.640 0.001 0.000 0.213 399 D C 1.471 177.708 176.300 -0.104 0.000 0.985 399 D CA 1.144 55.084 54.000 -0.101 0.000 0.879 399 D CB -0.061 40.677 40.800 -0.103 0.000 0.919 399 D HN 0.647 nan 8.370 nan 0.000 0.526 400 G N 0.487 109.210 108.800 -0.129 0.000 2.189 400 G HA2 -0.256 3.704 3.960 0.001 0.000 0.267 400 G HA3 -0.256 3.704 3.960 0.001 0.000 0.267 400 G C 0.526 175.357 174.900 -0.115 0.000 0.975 400 G CA 0.876 45.908 45.100 -0.115 0.000 0.644 400 G HN 0.551 nan 8.290 nan 0.000 0.537 401 T N 0.773 115.244 114.554 -0.139 0.000 3.159 401 T HA 0.572 4.922 4.350 0.001 0.000 0.343 401 T C -3.098 171.464 174.700 -0.230 0.000 1.364 401 T CA -0.384 61.620 62.100 -0.159 0.000 1.102 401 T CB 2.635 71.432 68.868 -0.118 0.000 1.263 401 T HN 0.058 nan 8.240 nan 0.000 0.477 402 P HA 0.263 nan 4.420 nan 0.000 0.276 402 P C -0.765 176.350 177.300 -0.309 0.000 1.230 402 P CA -0.327 62.457 63.100 -0.527 0.000 0.776 402 P CB 0.514 31.435 31.700 -1.299 0.000 0.888 403 N N 2.191 120.777 118.700 -0.190 0.000 2.448 403 N HA 0.057 4.798 4.740 0.001 0.000 0.274 403 N C 1.075 176.555 175.510 -0.050 0.000 1.239 403 N CA -0.366 52.635 53.050 -0.082 0.000 0.982 403 N CB -0.057 38.426 38.487 -0.007 0.000 1.199 403 N HN 0.196 nan 8.380 nan 0.000 0.576 404 Q N -0.934 118.861 119.800 -0.009 0.000 2.170 404 Q HA -0.184 4.156 4.340 0.001 0.000 0.203 404 Q C 1.722 177.752 176.000 0.050 0.000 0.976 404 Q CA 1.659 57.469 55.803 0.012 0.000 0.858 404 Q CB -0.310 28.434 28.738 0.011 0.000 0.907 404 Q HN 0.755 nan 8.270 nan 0.000 0.433 405 Q N -0.764 119.083 119.800 0.078 0.000 2.084 405 Q HA -0.068 4.272 4.340 0.001 0.000 0.202 405 Q C 1.949 178.054 176.000 0.175 0.000 0.978 405 Q CA 2.219 58.078 55.803 0.094 0.000 0.844 405 Q CB -0.464 28.306 28.738 0.055 0.000 0.898 405 Q HN 0.368 nan 8.270 nan 0.000 0.426 406 S N -0.218 115.625 115.700 0.239 0.000 2.371 406 S HA -0.021 4.449 4.470 0.001 0.000 0.224 406 S C 1.865 176.670 174.600 0.342 0.000 1.029 406 S CA 1.077 59.453 58.200 0.292 0.000 0.978 406 S CB -0.274 63.033 63.200 0.178 0.000 0.833 406 S HN 0.403 nan 8.310 nan 0.000 0.466 407 I N 1.965 122.647 120.570 0.186 0.000 2.163 407 I HA -0.232 3.938 4.170 0.001 0.000 0.243 407 I C 2.000 178.253 176.117 0.225 0.000 1.085 407 I CA 1.274 62.726 61.300 0.254 0.000 1.347 407 I CB -0.427 37.636 38.000 0.104 0.000 1.044 407 I HN 0.175 nan 8.210 nan 0.000 0.408 408 D N 0.809 121.297 120.400 0.146 0.000 2.144 408 D HA -0.134 4.506 4.640 0.001 0.000 0.199 408 D C 2.227 178.592 176.300 0.108 0.000 0.984 408 D CA 1.275 55.340 54.000 0.109 0.000 0.834 408 D CB -0.193 40.650 40.800 0.071 0.000 0.955 408 D HN 0.340 nan 8.370 nan 0.000 0.465 409 I N 0.310 120.953 120.570 0.121 0.000 2.179 409 I HA -0.242 3.929 4.170 0.001 0.000 0.242 409 I C 2.425 178.592 176.117 0.084 0.000 1.088 409 I CA 0.670 62.023 61.300 0.089 0.000 1.357 409 I CB -0.124 37.941 38.000 0.108 0.000 1.051 409 I HN -0.113 nan 8.210 nan 0.000 0.409 410 V N 1.192 121.170 119.914 0.106 0.000 2.343 410 V HA -0.278 3.842 4.120 0.001 0.000 0.247 410 V C 2.084 178.221 176.094 0.073 0.000 1.051 410 V CA 1.931 64.248 62.300 0.027 0.000 1.036 410 V CB -0.800 30.965 31.823 -0.098 0.000 0.654 410 V HN 0.461 nan 8.190 nan 0.000 0.451 411 N N -0.306 118.468 118.700 0.125 0.000 2.270 411 N HA -0.133 4.608 4.740 0.001 0.000 0.181 411 N C 1.909 177.474 175.510 0.092 0.000 1.016 411 N CA 1.028 54.151 53.050 0.122 0.000 0.870 411 N CB -0.227 38.340 38.487 0.134 0.000 0.979 411 N HN 0.589 nan 8.380 nan 0.000 0.431 412 Q N 0.355 120.203 119.800 0.080 0.000 2.046 412 Q HA 0.029 4.369 4.340 0.001 0.000 0.200 412 Q C 2.049 178.092 176.000 0.072 0.000 0.975 412 Q CA 0.903 56.746 55.803 0.066 0.000 0.836 412 Q CB -0.018 28.752 28.738 0.054 0.000 0.896 412 Q HN 0.372 nan 8.270 nan 0.000 0.428 413 I N 0.189 120.806 120.570 0.080 0.000 2.252 413 I HA -0.273 3.897 4.170 0.001 0.000 0.245 413 I C 2.352 178.542 176.117 0.122 0.000 1.102 413 I CA 1.116 62.480 61.300 0.107 0.000 1.385 413 I CB -0.190 37.874 38.000 0.106 0.000 1.064 413 I HN 0.113 nan 8.210 nan 0.000 0.414 414 R N 0.639 121.200 120.500 0.102 0.000 2.081 414 R HA -0.105 4.235 4.340 0.001 0.000 0.235 414 R C 2.452 178.809 176.300 0.094 0.000 1.131 414 R CA 1.485 57.647 56.100 0.103 0.000 0.960 414 R CB -0.769 29.593 30.300 0.103 0.000 0.856 414 R HN 0.455 nan 8.270 nan 0.000 0.436 415 G N 0.895 109.743 108.800 0.081 0.000 2.418 415 G HA2 -0.316 3.645 3.960 0.001 0.000 0.217 415 G HA3 -0.316 3.645 3.960 0.001 0.000 0.217 415 G C 1.422 176.351 174.900 0.049 0.000 1.158 415 G CA 0.684 45.821 45.100 0.062 0.000 0.771 415 G HN 0.263 nan 8.290 nan 0.000 0.545 416 R N 0.695 121.224 120.500 0.048 0.000 2.105 416 R HA 0.013 4.353 4.340 0.001 0.000 0.239 416 R C 2.447 178.777 176.300 0.050 0.000 1.135 416 R CA 1.397 57.500 56.100 0.004 0.000 0.967 416 R CB -0.342 29.953 30.300 -0.010 0.000 0.861 416 R HN 0.277 nan 8.270 nan 0.000 0.442 417 A N -0.290 122.618 122.820 0.145 0.000 2.252 417 A HA 0.211 4.531 4.320 0.001 0.000 0.207 417 A C 1.264 178.904 177.584 0.093 0.000 1.194 417 A CA 0.650 52.793 52.037 0.176 0.000 0.809 417 A CB -0.390 18.707 19.000 0.161 0.000 0.814 417 A HN 0.606 nan 8.150 nan 0.000 0.482 418 G N -1.228 107.612 108.800 0.066 0.000 2.155 418 G HA2 -0.238 3.723 3.960 0.001 0.000 0.257 418 G HA3 -0.238 3.723 3.960 0.001 0.000 0.257 418 G C 0.054 174.980 174.900 0.043 0.000 0.983 418 G CA 0.567 45.694 45.100 0.045 0.000 0.676 418 G HN 0.488 nan 8.290 nan 0.000 0.528 419 L N 0.228 121.484 121.223 0.055 0.000 2.343 419 L HA 0.751 5.091 4.340 0.001 0.000 0.275 419 L C 1.154 178.063 176.870 0.065 0.000 1.056 419 L CA -0.601 54.273 54.840 0.057 0.000 0.804 419 L CB 1.440 43.539 42.059 0.067 0.000 1.203 419 L HN 0.268 nan 8.230 nan 0.000 0.440 420 A N 3.216 126.074 122.820 0.063 0.000 2.406 420 A HA 0.472 4.792 4.320 0.001 0.000 0.243 420 A C -2.258 175.383 177.584 0.095 0.000 1.082 420 A CA -0.939 51.138 52.037 0.065 0.000 0.786 420 A CB -0.633 18.397 19.000 0.050 0.000 1.029 420 A HN 0.476 nan 8.150 nan 0.000 0.495 421 P HA 0.171 nan 4.420 nan 0.000 0.270 421 P C -0.596 176.809 177.300 0.175 0.000 1.223 421 P CA -0.081 63.098 63.100 0.132 0.000 0.785 421 P CB 0.202 31.962 31.700 0.101 0.000 0.923 422 F N 1.779 121.767 119.950 0.064 0.000 2.445 422 F HA 0.215 4.743 4.527 0.001 0.000 0.359 422 F C 0.540 176.387 175.800 0.078 0.000 1.101 422 F CA -0.455 57.585 58.000 0.067 0.000 1.177 422 F CB 0.473 39.514 39.000 0.068 0.000 1.110 422 F HN 0.045 nan 8.300 nan 0.000 0.522 423 K N 6.030 126.114 120.400 -0.528 0.000 2.292 423 K HA 0.198 4.518 4.320 0.001 0.000 0.290 423 K C -0.205 175.937 176.600 -0.763 0.000 1.083 423 K CA -0.707 55.297 56.287 -0.472 0.000 0.918 423 K CB 0.664 32.986 32.500 -0.298 0.000 1.089 423 K HN 0.879 nan 8.250 nan 0.000 0.473 424 Q N 1.767 121.336 119.800 -0.385 0.000 2.352 424 Q HA 0.103 4.443 4.340 0.001 0.000 0.260 424 Q C 0.209 176.137 176.000 -0.120 0.000 0.976 424 Q CA 0.746 56.452 55.803 -0.162 0.000 0.881 424 Q CB 1.142 29.928 28.738 0.079 0.000 1.235 424 Q HN 0.940 nan 8.270 nan 0.000 0.419 425 T N -0.028 114.503 114.554 -0.038 0.000 3.075 425 T HA 0.183 4.533 4.350 0.001 0.000 0.251 425 T C -0.020 174.688 174.700 0.013 0.000 0.979 425 T CA 0.374 62.461 62.100 -0.022 0.000 1.033 425 T CB 0.027 68.879 68.868 -0.026 0.000 1.104 425 T HN 0.779 nan 8.240 nan 0.000 0.473 426 N N -0.303 118.431 118.700 0.056 0.000 3.020 426 N HA 0.666 5.407 4.740 0.001 0.000 0.248 426 N C 0.871 176.421 175.510 0.067 0.000 1.480 426 N CA -0.388 52.685 53.050 0.039 0.000 0.874 426 N CB 0.718 39.216 38.487 0.019 0.000 1.433 426 N HN 0.082 nan 8.380 nan 0.000 0.530 427 A N 0.127 122.954 122.820 0.012 0.000 1.933 427 A HA -0.091 4.230 4.320 0.001 0.000 0.218 427 A C 1.853 179.433 177.584 -0.006 0.000 1.175 427 A CA 2.019 54.054 52.037 -0.004 0.000 0.628 427 A CB -1.218 17.745 19.000 -0.061 0.000 0.814 427 A HN 0.600 nan 8.150 nan 0.000 0.444 428 S N -0.384 115.298 115.700 -0.030 0.000 2.368 428 S HA 0.036 4.506 4.470 0.001 0.000 0.224 428 S C 2.332 176.885 174.600 -0.077 0.000 1.029 428 S CA 1.025 59.174 58.200 -0.085 0.000 0.988 428 S CB -0.420 62.751 63.200 -0.049 0.000 0.838 428 S HN 0.789 nan 8.310 nan 0.000 0.462 429 A N 0.724 123.565 122.820 0.034 0.000 1.933 429 A HA -0.087 4.234 4.320 0.001 0.000 0.218 429 A C 1.891 179.548 177.584 0.123 0.000 1.175 429 A CA 1.358 53.461 52.037 0.111 0.000 0.628 429 A CB -0.828 18.291 19.000 0.198 0.000 0.814 429 A HN 0.503 nan 8.150 nan 0.000 0.444 430 F N -0.092 119.872 119.950 0.024 0.000 2.134 430 F HA -0.128 4.400 4.527 0.001 0.000 0.299 430 F C 1.887 177.504 175.800 -0.304 0.000 1.097 430 F CA 1.651 59.609 58.000 -0.070 0.000 1.264 430 F CB -0.187 38.812 39.000 -0.001 0.000 1.001 430 F HN 0.221 nan 8.300 nan 0.000 0.479 431 L N 0.825 121.894 121.223 -0.258 0.000 2.042 431 L HA -0.212 4.128 4.340 0.001 0.000 0.210 431 L C 2.105 178.362 176.870 -1.021 0.000 1.076 431 L CA 1.961 56.406 54.840 -0.659 0.000 0.749 431 L CB -0.977 40.648 42.059 -0.724 0.000 0.893 431 L HN 0.235 nan 8.230 nan 0.000 0.432 432 E N -0.972 118.781 120.200 -0.744 0.000 2.150 432 E HA -0.247 4.103 4.350 0.001 0.000 0.193 432 E C 1.950 178.360 176.600 -0.317 0.000 0.985 432 E CA 0.963 57.028 56.400 -0.558 0.000 0.814 432 E CB 0.018 29.605 29.700 -0.190 0.000 0.752 432 E HN 0.505 nan 8.360 nan 0.000 0.466 433 E N 0.897 120.822 120.200 -0.458 0.000 2.106 433 E HA -0.134 4.216 4.350 0.001 0.000 0.192 433 E C 1.955 178.248 176.600 -0.511 0.000 0.984 433 E CA 0.804 56.856 56.400 -0.580 0.000 0.806 433 E CB -0.073 28.834 29.700 -1.321 0.000 0.750 433 E HN 0.006 nan 8.360 nan 0.000 0.458 434 V N 0.023 119.563 119.914 -0.623 0.000 2.295 434 V HA -0.238 3.883 4.120 0.001 0.000 0.246 434 V C 2.039 178.100 176.094 -0.054 0.000 1.049 434 V CA 1.864 63.940 62.300 -0.373 0.000 1.024 434 V CB -0.767 30.822 31.823 -0.390 0.000 0.648 434 V HN 0.399 nan 8.190 nan 0.000 0.447 435 W N 0.550 121.723 121.300 -0.212 0.000 2.335 435 W HA -0.144 4.516 4.660 0.001 0.000 0.311 435 W C 2.361 178.888 176.519 0.013 0.000 1.213 435 W CA 1.390 58.671 57.345 -0.106 0.000 1.274 435 W CB -1.385 27.845 29.460 -0.383 0.000 1.148 435 W HN 0.344 nan 8.180 nan 0.000 0.498 436 D N -0.472 120.015 120.400 0.144 0.000 2.116 436 D HA -0.187 4.453 4.640 0.001 0.000 0.193 436 D C 2.100 178.352 176.300 -0.080 0.000 0.998 436 D CA 1.595 55.544 54.000 -0.085 0.000 0.836 436 D CB -0.551 40.263 40.800 0.023 0.000 0.951 436 D HN 0.097 nan 8.370 nan 0.000 0.449 437 Q N 0.188 120.030 119.800 0.070 0.000 2.224 437 Q HA -0.040 4.300 4.340 0.001 0.000 0.203 437 Q C 2.228 178.334 176.000 0.176 0.000 0.970 437 Q CA 0.725 56.623 55.803 0.158 0.000 0.865 437 Q CB -0.178 28.613 28.738 0.089 0.000 0.922 437 Q HN 0.404 nan 8.270 nan 0.000 0.445 438 R N -0.562 120.038 120.500 0.167 0.000 2.073 438 R HA -0.135 4.206 4.340 0.001 0.000 0.234 438 R C 2.165 178.554 176.300 0.148 0.000 1.134 438 R CA 1.281 57.483 56.100 0.169 0.000 0.952 438 R CB -0.330 30.078 30.300 0.179 0.000 0.850 438 R HN 0.253 nan 8.270 nan 0.000 0.433 439 Y N -0.197 120.064 120.300 -0.066 0.000 2.145 439 Y HA -0.205 4.345 4.550 0.001 0.000 0.286 439 Y C 2.110 178.062 175.900 0.088 0.000 1.145 439 Y CA 1.494 59.527 58.100 -0.110 0.000 1.148 439 Y CB -0.383 37.876 38.460 -0.335 0.000 0.981 439 Y HN -0.056 nan 8.280 nan 0.000 0.507 440 F N -0.635 119.473 119.950 0.262 0.000 2.163 440 F HA -0.100 4.428 4.527 0.001 0.000 0.297 440 F C 2.109 178.152 175.800 0.405 0.000 1.094 440 F CA 1.280 59.341 58.000 0.101 0.000 1.290 440 F CB -0.878 37.990 39.000 -0.220 0.000 1.017 440 F HN 0.012 nan 8.300 nan 0.000 0.483 441 D N -0.434 120.261 120.400 0.493 0.000 2.216 441 D HA 0.059 4.699 4.640 0.001 0.000 0.208 441 D C 1.629 178.184 176.300 0.426 0.000 0.960 441 D CA 0.719 55.007 54.000 0.479 0.000 0.861 441 D CB 0.097 41.108 40.800 0.351 0.000 0.985 441 D HN 0.142 nan 8.370 nan 0.000 0.493 442 L N 0.995 122.387 121.223 0.283 0.000 2.653 442 L HA 0.272 4.612 4.340 0.001 0.000 0.231 442 L C 0.378 177.306 176.870 0.097 0.000 1.153 442 L CA -0.499 54.446 54.840 0.174 0.000 0.933 442 L CB -0.418 41.719 42.059 0.130 0.000 1.175 442 L HN 0.180 nan 8.230 nan 0.000 0.473 443 C N -1.107 118.266 119.300 0.121 0.000 2.634 443 C HA 0.068 4.528 4.460 0.001 0.000 0.417 443 C C 0.895 175.861 174.990 -0.040 0.000 1.334 443 C CA -0.675 58.283 59.018 -0.100 0.000 1.829 443 C CB -0.942 26.832 27.740 0.058 0.000 2.665 443 C HN 0.676 nan 8.230 nan 0.000 0.614 444 Y N -0.403 120.037 120.300 0.234 0.000 4.490 444 Y HA -0.177 4.373 4.550 0.001 0.000 0.233 444 Y C 0.942 177.129 175.900 0.479 0.000 1.101 444 Y CA 1.359 59.681 58.100 0.371 0.000 2.010 444 Y CB -2.593 36.158 38.460 0.485 0.000 1.622 444 Y HN 0.883 nan 8.280 nan 0.000 0.675 445 E N 0.116 120.519 120.200 0.339 0.000 2.558 445 E HA 0.209 4.559 4.350 0.001 0.000 0.205 445 E C 0.341 177.040 176.600 0.165 0.000 1.006 445 E CA 0.107 56.595 56.400 0.146 0.000 0.961 445 E CB -0.102 29.617 29.700 0.032 0.000 1.044 445 E HN 0.545 nan 8.360 nan 0.000 0.465 446 N N 1.657 120.509 118.700 0.255 0.000 2.754 446 N HA -0.139 4.601 4.740 0.001 0.000 0.248 446 N C -0.571 174.988 175.510 0.082 0.000 1.093 446 N CA 0.461 53.623 53.050 0.187 0.000 0.699 446 N CB -0.148 38.581 38.487 0.402 0.000 1.016 446 N HN 0.038 nan 8.380 nan 0.000 0.552 450 F N 2.743 122.618 119.950 -0.125 0.000 2.126 450 F HA -0.069 4.458 4.527 0.001 0.000 0.299 450 F C 1.450 177.101 175.800 -0.249 0.000 1.096 450 F CA 1.371 59.221 58.000 -0.251 0.000 1.255 450 F CB -1.436 37.444 39.000 -0.201 0.000 0.997 450 F HN -0.364 nan 8.300 nan 0.000 0.479 454 R N 0.800 121.224 120.500 -0.128 0.000 2.193 454 R HA -0.003 4.337 4.340 0.001 0.000 0.213 454 R C 1.613 177.979 176.300 0.109 0.000 1.055 454 R CA 1.691 57.793 56.100 0.004 0.000 0.995 454 R CB -0.466 29.843 30.300 0.015 0.000 0.893 454 R HN 0.414 nan 8.270 nan 0.000 0.459 455 T N -2.395 112.167 114.554 0.013 0.000 3.037 455 T HA 0.199 4.549 4.350 0.001 0.000 0.252 455 T C 0.762 175.516 174.700 0.090 0.000 1.073 455 T CA -0.231 61.901 62.100 0.053 0.000 1.091 455 T CB -0.107 68.578 68.868 -0.305 0.000 0.935 455 T HN 0.307 nan 8.240 nan 0.000 0.488 456 R N 1.165 121.612 120.500 -0.087 0.000 3.516 456 R HA -0.104 4.237 4.340 0.001 0.000 0.271 456 R C -0.937 175.360 176.300 -0.005 0.000 1.098 456 R CA 0.581 56.565 56.100 -0.194 0.000 0.732 456 R CB -1.236 28.757 30.300 -0.511 0.000 1.152 456 R HN 0.428 nan 8.270 nan 0.000 0.455 457 K N 0.541 120.928 120.400 -0.022 0.000 2.422 457 K HA 0.522 4.842 4.320 0.001 0.000 0.251 457 K C -0.180 176.416 176.600 -0.006 0.000 0.933 457 K CA -0.717 55.571 56.287 0.002 0.000 0.798 457 K CB 2.175 34.633 32.500 -0.070 0.000 1.238 457 K HN 0.023 nan 8.250 nan 0.000 0.428 458 I N 1.816 122.348 120.570 -0.063 0.000 2.436 458 I HA 0.317 4.488 4.170 0.001 0.000 0.289 458 I C 0.286 176.206 176.117 -0.328 0.000 1.010 458 I CA -0.901 60.259 61.300 -0.234 0.000 1.098 458 I CB 2.032 39.612 38.000 -0.700 0.000 1.266 458 I HN 0.292 nan 8.210 nan 0.000 0.434 459 R N 4.154 124.387 120.500 -0.446 0.000 2.370 459 R HA 0.061 4.401 4.340 0.001 0.000 0.309 459 R C -0.585 175.441 176.300 -0.457 0.000 1.059 459 R CA -0.248 55.317 56.100 -0.891 0.000 0.981 459 R CB 0.417 29.829 30.300 -1.480 0.000 0.972 459 R HN 0.528 nan 8.270 nan 0.000 0.437 460 D N 2.584 122.788 120.400 -0.326 0.000 2.312 460 D HA 0.008 4.648 4.640 0.001 0.000 0.252 460 D C 0.321 176.575 176.300 -0.076 0.000 1.150 460 D CA -0.245 53.704 54.000 -0.085 0.000 0.870 460 D CB 1.129 41.917 40.800 -0.020 0.000 1.153 460 D HN 0.437 nan 8.370 nan 0.000 0.457 461 D N 3.431 123.843 120.400 0.020 0.000 2.117 461 D HA -0.140 4.501 4.640 0.001 0.000 0.198 461 D C 1.942 178.263 176.300 0.035 0.000 0.982 461 D CA 1.435 55.475 54.000 0.067 0.000 0.828 461 D CB -0.062 40.821 40.800 0.137 0.000 0.967 461 D HN 0.557 nan 8.370 nan 0.000 0.464 462 K N 0.924 121.333 120.400 0.015 0.000 2.031 462 K HA -0.053 4.268 4.320 0.001 0.000 0.205 462 K C 2.178 178.779 176.600 0.001 0.000 1.049 462 K CA 1.748 58.039 56.287 0.006 0.000 0.939 462 K CB -0.843 31.652 32.500 -0.008 0.000 0.717 462 K HN 0.334 nan 8.250 nan 0.000 0.438 463 S N -2.498 113.194 115.700 -0.012 0.000 2.492 463 S HA 0.362 4.833 4.470 0.001 0.000 0.218 463 S C 1.884 176.471 174.600 -0.021 0.000 1.016 463 S CA 1.038 59.232 58.200 -0.011 0.000 0.916 463 S CB 0.295 63.489 63.200 -0.010 0.000 0.791 463 S HN 1.645 nan 8.310 nan 0.000 0.513 464 G N 1.141 109.903 108.800 -0.063 0.000 2.162 464 G HA2 -0.251 3.710 3.960 0.001 0.000 0.260 464 G HA3 -0.251 3.710 3.960 0.001 0.000 0.260 464 G C -0.251 174.542 174.900 -0.179 0.000 0.976 464 G CA 0.368 45.402 45.100 -0.110 0.000 0.655 464 G HN 0.632 nan 8.290 nan 0.000 0.533 465 E N -0.761 119.350 120.200 -0.149 0.000 2.313 465 E HA 0.482 4.833 4.350 0.001 0.000 0.272 465 E C -0.659 175.796 176.600 -0.242 0.000 1.038 465 E CA -0.790 55.559 56.400 -0.085 0.000 0.863 465 E CB 0.753 30.456 29.700 0.005 0.000 1.060 465 E HN 0.306 nan 8.360 nan 0.000 0.402 466 Y N 1.326 121.650 120.300 0.040 0.000 2.452 466 Y HA 0.176 4.726 4.550 0.001 0.000 0.348 466 Y C 0.371 176.298 175.900 0.044 0.000 0.985 466 Y CA -0.628 57.492 58.100 0.034 0.000 1.214 466 Y CB 0.592 39.155 38.460 0.172 0.000 1.136 466 Y HN 0.227 nan 8.280 nan 0.000 0.523 467 V N -0.350 119.603 119.914 0.066 0.000 2.850 467 V HA 0.526 4.647 4.120 0.001 0.000 0.315 467 V C -0.165 175.982 176.094 0.089 0.000 1.064 467 V CA -1.225 61.126 62.300 0.083 0.000 0.979 467 V CB 1.629 33.501 31.823 0.083 0.000 1.039 467 V HN 0.448 nan 8.190 nan 0.000 0.452 468 D N 1.439 121.901 120.400 0.104 0.000 2.455 468 D HA 0.116 4.757 4.640 0.001 0.000 0.241 468 D C 0.414 176.804 176.300 0.150 0.000 1.138 468 D CA 0.190 54.259 54.000 0.115 0.000 0.877 468 D CB 0.777 41.638 40.800 0.101 0.000 1.187 468 D HN 0.684 nan 8.370 nan 0.000 0.451 469 F N 2.491 122.430 119.950 -0.019 0.000 2.065 469 F HA -0.108 4.420 4.527 0.001 0.000 0.298 469 F C 1.011 176.879 175.800 0.114 0.000 1.112 469 F CA 1.114 59.124 58.000 0.016 0.000 1.212 469 F CB 0.004 38.971 39.000 -0.055 0.000 0.975 469 F HN 0.314 nan 8.300 nan 0.000 0.476 470 I N 0.937 121.756 120.570 0.415 0.000 2.421 470 I HA 0.205 4.376 4.170 0.001 0.000 0.291 470 I C 1.195 177.415 176.117 0.171 0.000 1.089 470 I CA 0.798 62.275 61.300 0.296 0.000 1.354 470 I CB -0.025 38.078 38.000 0.173 0.000 1.413 470 I HN 0.528 nan 8.210 nan 0.000 0.513 471 G N 4.891 113.781 108.800 0.149 0.000 2.238 471 G HA2 -0.314 3.647 3.960 0.001 0.000 0.217 471 G HA3 -0.314 3.647 3.960 0.001 0.000 0.217 471 G C 0.191 175.122 174.900 0.052 0.000 0.996 471 G CA -0.576 44.575 45.100 0.085 0.000 0.632 471 G HN 0.549 nan 8.290 nan 0.000 0.503 472 Y N 2.496 122.732 120.300 -0.108 0.000 2.717 472 Y HA 0.445 4.996 4.550 0.001 0.000 0.330 472 Y C 0.665 176.403 175.900 -0.269 0.000 1.217 472 Y CA 0.649 58.601 58.100 -0.247 0.000 1.506 472 Y CB 0.500 38.682 38.460 -0.463 0.000 1.268 472 Y HN 0.241 nan 8.280 nan 0.000 0.561 473 K N 5.124 125.014 120.400 -0.850 0.000 2.213 473 K HA 0.311 4.631 4.320 0.001 0.000 0.270 473 K C -0.252 175.700 176.600 -1.080 0.000 1.002 473 K CA -0.558 55.310 56.287 -0.698 0.000 0.868 473 K CB 0.692 32.964 32.500 -0.381 0.000 1.093 473 K HN 0.831 nan 8.250 nan 0.000 0.454 474 T N 0.838 115.006 114.554 -0.643 0.000 2.788 474 T HA 0.125 4.475 4.350 0.001 0.000 0.280 474 T C 1.120 175.602 174.700 -0.364 0.000 0.984 474 T CA -0.663 61.187 62.100 -0.417 0.000 0.972 474 T CB 0.648 69.610 68.868 0.156 0.000 1.039 474 T HN 0.516 nan 8.240 nan 0.000 0.530 475 N N 0.140 118.517 118.700 -0.539 0.000 2.258 475 N HA -0.089 4.651 4.740 0.001 0.000 0.187 475 N C 0.793 175.802 175.510 -0.834 0.000 1.012 475 N CA 1.235 53.741 53.050 -0.907 0.000 0.870 475 N CB -0.221 37.283 38.487 -1.638 0.000 0.977 475 N HN 0.717 nan 8.380 nan 0.000 0.434 476 W N -0.164 121.138 121.300 0.004 0.000 3.223 476 W HA 0.403 5.063 4.660 0.000 0.000 0.389 476 W C 0.987 177.496 176.519 -0.016 0.000 1.118 476 W CA 0.136 57.486 57.345 0.008 0.000 1.902 476 W CB -0.367 29.113 29.460 0.035 0.000 1.094 476 W HN 0.113 nan 8.180 nan 0.000 0.666 477 G N 1.527 110.349 108.800 0.037 0.000 2.179 477 G HA2 -0.269 3.691 3.960 0.001 0.000 0.260 477 G HA3 -0.269 3.691 3.960 0.001 0.000 0.260 477 G C 0.341 175.254 174.900 0.021 0.000 0.977 477 G CA 0.065 45.167 45.100 0.005 0.000 0.641 477 G HN -0.004 nan 8.290 nan 0.000 0.533 478 K N 0.275 120.717 120.400 0.069 0.000 2.118 478 K HA 0.666 4.986 4.320 0.001 0.000 0.267 478 K C 0.063 176.706 176.600 0.072 0.000 0.991 478 K CA -0.633 55.715 56.287 0.101 0.000 0.916 478 K CB 2.307 34.919 32.500 0.188 0.000 1.041 478 K HN 0.142 nan 8.250 nan 0.000 0.455 479 V N 3.749 123.723 119.914 0.101 0.000 2.417 479 V HA 0.195 4.315 4.120 0.001 0.000 0.291 479 V C -0.624 175.626 176.094 0.260 0.000 1.024 479 V CA -0.985 61.371 62.300 0.093 0.000 0.861 479 V CB 0.700 32.544 31.823 0.035 0.000 0.985 479 V HN 0.470 nan 8.190 nan 0.000 0.436 480 Y N 3.373 123.682 120.300 0.014 0.000 2.411 480 Y HA 0.469 5.019 4.550 0.001 0.000 0.333 480 Y C 1.054 177.005 175.900 0.084 0.000 1.186 480 Y CA -0.499 57.617 58.100 0.027 0.000 1.381 480 Y CB 1.079 39.443 38.460 -0.159 0.000 1.273 480 Y HN 0.826 nan 8.280 nan 0.000 0.546 481 T N -1.967 112.731 114.554 0.240 0.000 2.807 481 T HA 0.345 4.695 4.350 0.001 0.000 0.277 481 T C 0.883 175.694 174.700 0.185 0.000 1.006 481 T CA -0.794 61.406 62.100 0.168 0.000 1.006 481 T CB 1.286 70.195 68.868 0.068 0.000 1.274 481 T HN 0.586 nan 8.240 nan 0.000 0.569 482 E N 0.099 120.347 120.200 0.080 0.000 2.160 482 E HA -0.135 4.216 4.350 0.001 0.000 0.195 482 E C 1.984 178.573 176.600 -0.017 0.000 0.991 482 E CA 1.687 58.095 56.400 0.014 0.000 0.810 482 E CB -0.446 29.239 29.700 -0.024 0.000 0.742 482 E HN 0.693 nan 8.360 nan 0.000 0.466 483 T N 1.100 115.620 114.554 -0.057 0.000 2.699 483 T HA -0.210 4.140 4.350 0.001 0.000 0.268 483 T C 1.641 176.290 174.700 -0.086 0.000 1.036 483 T CA 1.385 63.374 62.100 -0.184 0.000 1.147 483 T CB -0.165 68.511 68.868 -0.321 0.000 0.862 483 T HN 0.100 nan 8.240 nan 0.000 0.446 484 Q N 0.411 120.235 119.800 0.040 0.000 2.436 484 Q HA 0.243 4.583 4.340 0.001 0.000 0.209 484 Q C 2.046 178.196 176.000 0.250 0.000 0.965 484 Q CA 0.344 56.225 55.803 0.130 0.000 0.910 484 Q CB -0.590 28.151 28.738 0.004 0.000 0.980 484 Q HN 0.496 nan 8.270 nan 0.000 0.491 485 L N -0.798 120.450 121.223 0.042 0.000 2.265 485 L HA -0.070 4.270 4.340 0.001 0.000 0.215 485 L C 0.399 177.200 176.870 -0.115 0.000 1.117 485 L CA 0.765 55.453 54.840 -0.254 0.000 0.782 485 L CB -0.089 41.761 42.059 -0.348 0.000 0.914 485 L HN 0.168 nan 8.230 nan 0.000 0.441 486 L N -2.659 118.565 121.223 0.002 0.000 2.376 486 L HA 0.444 4.785 4.340 0.001 0.000 0.258 486 L C -0.905 175.993 176.870 0.046 0.000 1.013 486 L CA -0.885 53.987 54.840 0.054 0.000 0.822 486 L CB 2.067 44.225 42.059 0.166 0.000 1.388 486 L HN -0.302 nan 8.230 nan 0.000 0.413 487 F N 1.004 121.057 119.950 0.171 0.000 2.378 487 F HA 0.495 5.023 4.527 0.001 0.000 0.325 487 F C -1.960 173.812 175.800 -0.047 0.000 1.097 487 F CA -2.106 55.896 58.000 0.003 0.000 1.079 487 F CB 0.510 39.436 39.000 -0.124 0.000 1.240 487 F HN 0.137 nan 8.300 nan 0.000 0.519 488 P HA 0.118 nan 4.420 nan 0.000 0.274 488 P C -0.542 176.838 177.300 0.133 0.000 1.231 488 P CA -0.282 62.637 63.100 -0.303 0.000 0.790 488 P CB 0.470 31.758 31.700 -0.687 0.000 0.951 489 I N 2.728 123.314 120.570 0.027 0.000 2.556 489 I HA 0.128 4.298 4.170 0.001 0.000 0.284 489 I C -2.030 173.916 176.117 -0.285 0.000 1.114 489 I CA -2.806 58.341 61.300 -0.256 0.000 1.418 489 I CB -0.677 37.110 38.000 -0.355 0.000 1.394 489 I HN 0.149 nan 8.210 nan 0.000 0.552 490 P HA -0.004 nan 4.420 nan 0.000 0.265 490 P C 0.874 178.019 177.300 -0.258 0.000 1.193 490 P CA -0.259 62.685 63.100 -0.259 0.000 0.765 490 P CB 0.678 32.216 31.700 -0.271 0.000 0.823 491 L N 4.309 125.433 121.223 -0.165 0.000 2.042 491 L HA -0.245 4.095 4.340 0.001 0.000 0.210 491 L C 2.170 178.954 176.870 -0.143 0.000 1.076 491 L CA 2.602 57.361 54.840 -0.135 0.000 0.749 491 L CB -1.534 40.469 42.059 -0.094 0.000 0.893 491 L HN 0.435 nan 8.230 nan 0.000 0.432 492 S N -1.377 114.239 115.700 -0.140 0.000 2.370 492 S HA -0.210 4.261 4.470 0.001 0.000 0.226 492 S C 1.813 176.320 174.600 -0.155 0.000 1.033 492 S CA 1.250 59.377 58.200 -0.123 0.000 1.011 492 S CB -0.715 62.426 63.200 -0.098 0.000 0.852 492 S HN 0.560 nan 8.310 nan 0.000 0.457 493 E N 1.613 121.663 120.200 -0.251 0.000 2.072 493 E HA -0.034 4.317 4.350 0.001 0.000 0.191 493 E C 2.406 178.857 176.600 -0.248 0.000 0.985 493 E CA 0.859 57.071 56.400 -0.314 0.000 0.801 493 E CB -0.330 28.957 29.700 -0.689 0.000 0.750 493 E HN 0.628 nan 8.360 nan 0.000 0.452 494 R N 0.554 120.908 120.500 -0.244 0.000 2.092 494 R HA -0.056 4.284 4.340 0.001 0.000 0.231 494 R C 2.398 178.633 176.300 -0.108 0.000 1.119 494 R CA 0.914 56.915 56.100 -0.165 0.000 0.970 494 R CB -0.156 30.055 30.300 -0.148 0.000 0.864 494 R HN 0.290 nan 8.270 nan 0.000 0.440 495 Q N 0.049 119.788 119.800 -0.101 0.000 2.172 495 Q HA -0.025 4.315 4.340 0.001 0.000 0.200 495 Q C 2.102 178.065 176.000 -0.063 0.000 0.964 495 Q CA 1.257 57.017 55.803 -0.071 0.000 0.855 495 Q CB -0.002 28.697 28.738 -0.065 0.000 0.918 495 Q HN 0.318 nan 8.270 nan 0.000 0.444 496 A N 1.262 124.039 122.820 -0.072 0.000 1.969 496 A HA -0.102 4.219 4.320 0.001 0.000 0.218 496 A C 1.039 178.593 177.584 -0.050 0.000 1.169 496 A CA 1.030 53.033 52.037 -0.057 0.000 0.635 496 A CB 0.095 19.060 19.000 -0.059 0.000 0.810 496 A HN 0.230 nan 8.150 nan 0.000 0.445 497 N N -1.172 117.491 118.700 -0.061 0.000 2.675 497 N HA 0.241 4.982 4.740 0.001 0.000 0.254 497 N C -2.725 172.755 175.510 -0.051 0.000 1.224 497 N CA -1.874 51.147 53.050 -0.048 0.000 0.777 497 N CB 1.412 39.872 38.487 -0.044 0.000 1.256 497 N HN -0.089 nan 8.380 nan 0.000 0.531 498 P HA 0.018 nan 4.420 nan 0.000 0.239 498 P C 0.371 177.658 177.300 -0.021 0.000 1.184 498 P CA 0.521 63.601 63.100 -0.033 0.000 0.760 498 P CB 0.404 32.089 31.700 -0.026 0.000 0.884 499 N N -0.134 118.557 118.700 -0.015 0.000 2.550 499 N HA -0.002 4.738 4.740 0.001 0.000 0.186 499 N C 0.640 176.152 175.510 0.005 0.000 1.110 499 N CA 0.407 53.456 53.050 -0.002 0.000 0.912 499 N CB -0.372 38.118 38.487 0.004 0.000 0.968 499 N HN 0.298 nan 8.380 nan 0.000 0.448 500 L N 1.778 122.994 121.223 -0.011 0.000 2.315 500 L HA 0.124 4.464 4.340 0.001 0.000 0.283 500 L C 1.135 177.998 176.870 -0.012 0.000 1.089 500 L CA -0.441 54.393 54.840 -0.010 0.000 0.833 500 L CB 0.342 42.358 42.059 -0.071 0.000 1.170 500 L HN 0.054 nan 8.230 nan 0.000 0.442 501 T N 0.266 114.833 114.554 0.020 0.000 2.726 501 T HA 0.237 4.587 4.350 0.001 0.000 0.294 501 T C -0.144 174.574 174.700 0.029 0.000 1.013 501 T CA -0.587 61.530 62.100 0.028 0.000 0.996 501 T CB 1.506 70.403 68.868 0.048 0.000 1.016 501 T HN 0.473 nan 8.240 nan 0.000 0.529 502 Q N 0.307 120.137 119.800 0.049 0.000 2.348 502 Q HA 0.392 4.732 4.340 0.001 0.000 0.271 502 Q C -0.856 175.225 176.000 0.135 0.000 1.067 502 Q CA -0.733 55.118 55.803 0.081 0.000 0.839 502 Q CB 1.208 29.992 28.738 0.076 0.000 1.354 502 Q HN 0.669 nan 8.270 nan 0.000 0.447 503 N N 2.295 121.124 118.700 0.216 0.000 2.492 503 N HA 0.024 4.764 4.740 0.001 0.000 0.260 503 N C -0.680 174.954 175.510 0.207 0.000 1.215 503 N CA 0.053 53.257 53.050 0.256 0.000 0.923 503 N CB 0.586 39.297 38.487 0.374 0.000 1.092 503 N HN 0.632 nan 8.380 nan 0.000 0.448 504 Q N 0.082 119.933 119.800 0.086 0.000 2.333 504 Q HA 0.184 4.524 4.340 0.001 0.000 0.299 504 Q C 0.795 176.695 176.000 -0.166 0.000 1.067 504 Q CA 0.441 56.237 55.803 -0.011 0.000 0.943 504 Q CB 0.163 28.888 28.738 -0.021 0.000 1.233 504 Q HN 0.793 nan 8.270 nan 0.000 0.401 505 G N 1.240 109.931 108.800 -0.181 0.000 2.225 505 G HA2 -0.278 3.682 3.960 0.001 0.000 0.254 505 G HA3 -0.278 3.682 3.960 0.001 0.000 0.254 505 G C -0.524 174.164 174.900 -0.352 0.000 0.988 505 G CA 0.345 45.251 45.100 -0.324 0.000 0.625 505 G HN 0.643 nan 8.290 nan 0.000 0.527 506 Y N 0.000 120.307 120.300 0.012 0.000 2.660 506 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 506 Y CA 0.000 58.105 58.100 0.008 0.000 1.940 506 Y CB 0.000 38.476 38.460 0.027 0.000 1.050 506 Y HN 0.000 nan 8.280 nan 0.000 0.758