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 2dh2_1_A DATA FIRST_RESID 109 DATA SEQUENCE GSELPAQKWW HTGALYRIGD LQAFQGHGAG NLAGLKGRLD YLSSLKVKGL DATA SEQUENCE VLGPIHKNQK DDVAQTDLLQ IDPNFGSKED FDSLLQSAKK KSIRVILDLT DATA SEQUENCE PNYRGENSWF STQVDTVATK VKDALEFWLQ AGVDGFQVRD IENLKDASSF DATA SEQUENCE LAEWQNITKG FSEDRLLIAG TNSSDLQQIL SLLESNKDLL LTSSYLSDSG DATA SEQUENCE STGEHTKSLV TQYLNATGNR WCSWSLSQAR LLTSFLPAQL LRLYQLXLFT DATA SEQUENCE LPGTPVFSYG DEIGLDAAAL PGQPXEAPVX LWDESSFPDI PGAVSANXTV DATA SEQUENCE KGQSEDPGSL LSLFRRLSDQ RSKERSLLHG DFHAFSAGPG LFSYIRHWDQ DATA SEQUENCE NERFLVVLNF GDVGLSAGLQ ASDLPASASL PAKADLLLST QPGREEGSPL DATA SEQUENCE ELERLKLEPH EGLLLRFPYA A 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 109 G HA2 0.000 nan 3.960 nan 0.000 0.244 109 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 109 G C 0.000 174.789 174.900 -0.185 0.000 0.946 109 G CA 0.000 44.946 45.100 -0.256 0.000 0.502 110 S N -0.093 115.414 115.700 -0.321 0.000 3.402 110 S HA -0.249 4.222 4.470 0.001 0.000 0.329 110 S C 0.041 174.674 174.600 0.055 0.000 1.194 110 S CA 2.217 60.349 58.200 -0.112 0.000 0.951 110 S CB -2.320 60.813 63.200 -0.112 0.000 0.975 110 S HN 1.929 nan 8.310 nan 0.000 0.574 111 E N 0.096 120.405 120.200 0.182 0.000 2.274 111 E HA 0.621 4.971 4.350 0.001 0.000 0.269 111 E C -0.571 176.204 176.600 0.291 0.000 0.891 111 E CA -1.274 55.240 56.400 0.190 0.000 0.784 111 E CB 1.128 30.892 29.700 0.107 0.000 1.225 111 E HN 0.400 nan 8.360 nan 0.000 0.412 112 L N 4.392 125.723 121.223 0.179 0.000 2.410 112 L HA 0.294 4.635 4.340 0.001 0.000 0.273 112 L C -1.872 174.897 176.870 -0.169 0.000 1.144 112 L CA -1.754 53.090 54.840 0.006 0.000 0.863 112 L CB 0.138 42.197 42.059 -0.001 0.000 1.140 112 L HN 0.518 nan 8.230 nan 0.000 0.463 113 P HA 0.069 nan 4.420 nan 0.000 0.267 113 P C -0.613 176.520 177.300 -0.278 0.000 1.205 113 P CA -0.314 62.564 63.100 -0.369 0.000 0.765 113 P CB 0.763 32.105 31.700 -0.596 0.000 0.828 114 A N 3.846 126.559 122.820 -0.178 0.000 2.797 114 A HA 0.074 4.394 4.320 0.001 0.000 0.296 114 A C 0.448 177.911 177.584 -0.202 0.000 1.580 114 A CA -0.195 51.748 52.037 -0.156 0.000 1.277 114 A CB -0.761 18.174 19.000 -0.109 0.000 1.101 114 A HN 0.529 nan 8.150 nan 0.000 0.562 115 Q N 1.713 121.375 119.800 -0.229 0.000 2.340 115 Q HA 0.169 4.510 4.340 0.001 0.000 0.249 115 Q C -0.036 175.653 176.000 -0.518 0.000 0.957 115 Q CA -0.261 55.372 55.803 -0.283 0.000 0.882 115 Q CB 1.060 29.677 28.738 -0.201 0.000 1.235 115 Q HN 0.535 nan 8.270 nan 0.000 0.439 116 K N 1.935 121.665 120.400 -1.118 0.000 2.168 116 K HA 0.020 4.341 4.320 0.001 0.000 0.258 116 K C 1.338 177.239 176.600 -1.165 0.000 1.010 116 K CA -0.150 55.263 56.287 -1.456 0.000 0.929 116 K CB 0.493 31.305 32.500 -2.814 0.000 0.998 116 K HN 0.812 nan 8.250 nan 0.000 0.479 117 W N 1.473 122.363 121.300 -0.682 0.000 2.342 117 W HA -0.193 4.465 4.660 -0.003 0.000 0.297 117 W C 1.262 177.681 176.519 -0.168 0.000 1.213 117 W CA 0.903 58.084 57.345 -0.273 0.000 1.251 117 W CB -0.964 28.468 29.460 -0.046 0.000 1.136 117 W HN 0.796 nan 8.180 nan 0.000 0.526 118 W N 1.234 121.997 121.300 -0.895 0.000 2.800 118 W HA 0.121 4.782 4.660 0.001 0.000 0.249 118 W C 1.552 177.929 176.519 -0.236 0.000 1.294 118 W CA 1.153 58.066 57.345 -0.720 0.000 1.402 118 W CB -1.740 27.018 29.460 -1.171 0.000 1.126 118 W HN -0.037 nan 8.180 nan 0.000 0.652 119 H N 0.440 119.088 119.070 -0.704 0.000 2.529 119 H HA -0.016 4.540 4.556 -0.001 0.000 0.277 119 H C 1.886 177.175 175.328 -0.066 0.000 0.999 119 H CA 1.226 56.923 56.048 -0.585 0.000 1.256 119 H CB 0.117 29.154 29.762 -1.208 0.000 1.402 119 H HN 0.251 nan 8.280 nan 0.000 0.566 120 T N -2.098 112.495 114.554 0.065 0.000 3.107 120 T HA 0.395 4.746 4.350 0.001 0.000 0.249 120 T C 0.987 175.797 174.700 0.184 0.000 1.096 120 T CA 0.237 62.405 62.100 0.114 0.000 1.012 120 T CB 0.616 69.526 68.868 0.070 0.000 0.977 120 T HN 0.441 nan 8.240 nan 0.000 0.527 121 G N 0.342 109.294 108.800 0.254 0.000 2.336 121 G HA2 0.506 4.467 3.960 0.001 0.000 0.286 121 G HA3 0.506 4.467 3.960 0.001 0.000 0.286 121 G C -1.336 173.761 174.900 0.329 0.000 1.269 121 G CA -0.489 44.785 45.100 0.290 0.000 0.873 121 G HN 0.540 nan 8.290 nan 0.000 0.494 122 A N -0.632 122.411 122.820 0.373 0.000 2.322 122 A HA 0.770 5.091 4.320 0.001 0.000 0.269 122 A C 0.081 177.901 177.584 0.393 0.000 1.094 122 A CA -0.188 52.077 52.037 0.380 0.000 0.807 122 A CB 0.248 19.566 19.000 0.529 0.000 1.047 122 A HN 0.858 nan 8.150 nan 0.000 0.487 123 L N 0.834 122.268 121.223 0.352 0.000 2.334 123 L HA 0.463 4.804 4.340 0.001 0.000 0.275 123 L C -0.885 176.231 176.870 0.410 0.000 1.036 123 L CA -0.500 54.547 54.840 0.346 0.000 0.807 123 L CB 1.387 43.590 42.059 0.239 0.000 1.231 123 L HN 0.793 nan 8.230 nan 0.000 0.438 124 Y N 2.371 122.804 120.300 0.222 0.000 2.329 124 Y HA 0.405 4.956 4.550 0.001 0.000 0.328 124 Y C -0.534 175.433 175.900 0.112 0.000 0.992 124 Y CA -0.785 57.441 58.100 0.209 0.000 1.151 124 Y CB 1.135 39.708 38.460 0.189 0.000 1.150 124 Y HN 0.477 nan 8.280 nan 0.000 0.450 125 R N 7.212 127.675 120.500 -0.062 0.000 2.221 125 R HA 0.480 4.821 4.340 0.001 0.000 0.327 125 R C -1.024 175.234 176.300 -0.070 0.000 1.033 125 R CA -0.393 55.681 56.100 -0.044 0.000 0.887 125 R CB 0.946 31.224 30.300 -0.036 0.000 1.057 125 R HN 0.661 nan 8.270 nan 0.000 0.455 126 I N 2.526 123.078 120.570 -0.030 0.000 2.442 126 I HA 0.182 4.352 4.170 0.001 0.000 0.279 126 I C 1.143 177.240 176.117 -0.033 0.000 1.081 126 I CA -0.225 61.040 61.300 -0.059 0.000 1.197 126 I CB 1.609 39.413 38.000 -0.327 0.000 1.394 126 I HN 0.868 nan 8.210 nan 0.000 0.488 127 G N 3.153 112.005 108.800 0.086 0.000 2.623 127 G HA2 -0.068 3.893 3.960 0.001 0.000 0.214 127 G HA3 -0.068 3.893 3.960 0.001 0.000 0.214 127 G C 0.387 175.293 174.900 0.009 0.000 1.138 127 G CA 0.322 45.432 45.100 0.016 0.000 0.794 127 G HN 0.523 nan 8.290 nan 0.000 0.535 128 D N -0.022 120.429 120.400 0.084 0.000 2.476 128 D HA 0.252 4.893 4.640 0.001 0.000 0.251 128 D C 1.285 177.586 176.300 0.002 0.000 1.291 128 D CA -0.459 53.576 54.000 0.057 0.000 0.939 128 D CB 1.459 42.359 40.800 0.165 0.000 1.221 128 D HN -0.063 nan 8.370 nan 0.000 0.567 129 L N 2.444 123.640 121.223 -0.046 0.000 2.083 129 L HA -0.215 4.125 4.340 0.001 0.000 0.209 129 L C 2.083 179.019 176.870 0.110 0.000 1.083 129 L CA 1.202 56.055 54.840 0.021 0.000 0.752 129 L CB 0.047 42.080 42.059 -0.044 0.000 0.899 129 L HN 0.376 nan 8.230 nan 0.000 0.433 130 Q N -0.317 119.557 119.800 0.123 0.000 2.016 130 Q HA -0.135 4.206 4.340 0.001 0.000 0.200 130 Q C 2.385 178.424 176.000 0.066 0.000 0.978 130 Q CA 2.001 57.866 55.803 0.103 0.000 0.833 130 Q CB -0.457 28.342 28.738 0.101 0.000 0.895 130 Q HN 0.487 nan 8.270 nan 0.000 0.427 131 A N -0.265 122.603 122.820 0.080 0.000 1.933 131 A HA -0.182 4.139 4.320 0.001 0.000 0.218 131 A C 1.945 179.567 177.584 0.064 0.000 1.175 131 A CA 1.338 53.436 52.037 0.101 0.000 0.628 131 A CB -0.803 18.318 19.000 0.201 0.000 0.814 131 A HN 0.457 nan 8.150 nan 0.000 0.444 132 F N 0.351 120.142 119.950 -0.264 0.000 2.146 132 F HA -0.124 4.403 4.527 -0.001 0.000 0.298 132 F C 2.277 178.171 175.800 0.156 0.000 1.096 132 F CA 2.233 60.006 58.000 -0.379 0.000 1.275 132 F CB -0.251 38.411 39.000 -0.564 0.000 1.008 132 F HN 0.292 nan 8.300 nan 0.000 0.480 133 Q N -0.222 119.581 119.800 0.006 0.000 2.324 133 Q HA 0.351 4.692 4.340 0.001 0.000 0.207 133 Q C 0.803 176.803 176.000 -0.000 0.000 0.928 133 Q CA 0.493 56.250 55.803 -0.076 0.000 0.890 133 Q CB 0.468 29.184 28.738 -0.036 0.000 1.001 133 Q HN 0.506 nan 8.270 nan 0.000 0.517 134 G N -0.180 108.647 108.800 0.046 0.000 2.525 134 G HA2 -0.185 3.776 3.960 0.001 0.000 0.685 134 G HA3 -0.185 3.776 3.960 0.001 0.000 0.685 134 G C -1.285 173.641 174.900 0.044 0.000 1.290 134 G CA -0.913 44.215 45.100 0.047 0.000 0.915 134 G HN 0.219 nan 8.290 nan 0.000 0.548 135 H N 0.948 120.021 119.070 0.005 0.000 3.070 135 H HA 0.380 4.937 4.556 0.001 0.000 0.313 135 H C 1.674 176.994 175.328 -0.013 0.000 0.997 135 H CA 2.134 58.178 56.048 -0.007 0.000 1.438 135 H CB 0.607 30.355 29.762 -0.023 0.000 1.455 135 H HN 2.142 nan 8.280 nan 0.000 0.575 136 G N 2.810 111.723 108.800 0.187 0.000 2.254 136 G HA2 -0.219 3.741 3.960 0.001 0.000 0.225 136 G HA3 -0.219 3.741 3.960 0.001 0.000 0.225 136 G C 0.506 175.437 174.900 0.053 0.000 1.003 136 G CA 0.086 45.233 45.100 0.078 0.000 0.622 136 G HN 0.914 nan 8.290 nan 0.000 0.507 137 A N 0.310 123.161 122.820 0.053 0.000 2.676 137 A HA 0.706 5.026 4.320 0.001 0.000 0.258 137 A C 1.064 178.685 177.584 0.062 0.000 0.898 137 A CA 1.273 53.331 52.037 0.035 0.000 1.087 137 A CB 0.097 19.088 19.000 -0.015 0.000 1.214 137 A HN 1.667 nan 8.150 nan 0.000 0.474 138 G N 1.349 110.207 108.800 0.098 0.000 3.581 138 G HA2 0.387 4.348 3.960 0.001 0.000 0.255 138 G HA3 0.387 4.348 3.960 0.001 0.000 0.255 138 G C -0.094 174.941 174.900 0.225 0.000 1.121 138 G CA 0.103 45.290 45.100 0.146 0.000 1.739 138 G HN 0.682 nan 8.290 nan 0.000 0.646 139 N N -1.248 117.559 118.700 0.178 0.000 2.697 139 N HA 0.347 5.088 4.740 0.001 0.000 0.272 139 N C 0.812 176.411 175.510 0.149 0.000 1.381 139 N CA -1.104 52.072 53.050 0.211 0.000 0.797 139 N CB 0.915 39.498 38.487 0.159 0.000 1.523 139 N HN -0.132 nan 8.380 nan 0.000 0.518 140 L N -0.498 120.820 121.223 0.158 0.000 2.093 140 L HA -0.007 4.334 4.340 0.001 0.000 0.208 140 L C 2.376 179.286 176.870 0.067 0.000 1.085 140 L CA 1.667 56.573 54.840 0.109 0.000 0.755 140 L CB -0.696 41.457 42.059 0.157 0.000 0.904 140 L HN 0.816 nan 8.230 nan 0.000 0.435 141 A N 0.591 123.454 122.820 0.071 0.000 1.883 141 A HA -0.181 4.140 4.320 0.001 0.000 0.217 141 A C 2.416 180.013 177.584 0.021 0.000 1.186 141 A CA 1.928 53.990 52.037 0.041 0.000 0.624 141 A CB -1.399 17.626 19.000 0.043 0.000 0.822 141 A HN 0.436 nan 8.150 nan 0.000 0.444 142 G N -0.466 108.350 108.800 0.027 0.000 2.450 142 G HA2 -0.165 3.796 3.960 0.001 0.000 0.220 142 G HA3 -0.165 3.796 3.960 0.001 0.000 0.220 142 G C 1.442 176.342 174.900 -0.001 0.000 1.130 142 G CA 1.210 46.310 45.100 -0.001 0.000 0.760 142 G HN 0.486 nan 8.290 nan 0.000 0.557 143 L N 0.658 121.910 121.223 0.047 0.000 2.083 143 L HA 0.050 4.390 4.340 0.001 0.000 0.209 143 L C 2.643 179.542 176.870 0.049 0.000 1.083 143 L CA 1.764 56.658 54.840 0.091 0.000 0.752 143 L CB -0.482 41.632 42.059 0.092 0.000 0.899 143 L HN 0.143 nan 8.230 nan 0.000 0.433 144 K N -0.665 119.740 120.400 0.008 0.000 2.113 144 K HA -0.145 4.176 4.320 0.001 0.000 0.208 144 K C 1.891 178.479 176.600 -0.020 0.000 1.047 144 K CA 1.223 57.503 56.287 -0.012 0.000 0.928 144 K CB -0.690 31.797 32.500 -0.021 0.000 0.716 144 K HN 0.566 nan 8.250 nan 0.000 0.446 145 G N 0.911 109.686 108.800 -0.042 0.000 2.535 145 G HA2 -0.199 3.762 3.960 0.001 0.000 0.218 145 G HA3 -0.199 3.762 3.960 0.001 0.000 0.218 145 G C 1.329 176.166 174.900 -0.107 0.000 1.122 145 G CA 0.259 45.309 45.100 -0.084 0.000 0.769 145 G HN 0.132 nan 8.290 nan 0.000 0.549 146 R N -0.312 120.161 120.500 -0.046 0.000 2.362 146 R HA 0.333 4.674 4.340 0.001 0.000 0.227 146 R C 2.034 178.425 176.300 0.152 0.000 0.905 146 R CA -0.268 55.846 56.100 0.024 0.000 1.067 146 R CB -0.322 30.053 30.300 0.125 0.000 1.078 146 R HN 0.362 nan 8.270 nan 0.000 0.516 147 L N 0.645 121.912 121.223 0.074 0.000 2.141 147 L HA -0.152 4.189 4.340 0.001 0.000 0.209 147 L C 1.418 178.312 176.870 0.040 0.000 1.094 147 L CA 1.226 56.094 54.840 0.047 0.000 0.763 147 L CB -0.240 41.821 42.059 0.004 0.000 0.908 147 L HN 0.020 nan 8.230 nan 0.000 0.437 148 D N -0.836 119.591 120.400 0.044 0.000 2.144 148 D HA -0.228 4.413 4.640 0.001 0.000 0.200 148 D C 1.857 178.210 176.300 0.088 0.000 0.978 148 D CA 1.160 55.186 54.000 0.044 0.000 0.833 148 D CB -0.085 40.734 40.800 0.032 0.000 0.961 148 D HN 0.329 nan 8.370 nan 0.000 0.470 149 Y N 1.523 121.836 120.300 0.022 0.000 2.163 149 Y HA -0.121 4.433 4.550 0.007 0.000 0.288 149 Y C 2.140 178.074 175.900 0.056 0.000 1.136 149 Y CA 1.239 59.383 58.100 0.073 0.000 1.147 149 Y CB -0.470 38.089 38.460 0.165 0.000 0.987 149 Y HN -0.118 nan 8.280 nan 0.000 0.509 150 L N -0.658 120.515 121.223 -0.084 0.000 2.083 150 L HA -0.207 4.133 4.340 0.001 0.000 0.209 150 L C 2.829 179.581 176.870 -0.197 0.000 1.083 150 L CA 1.567 56.246 54.840 -0.267 0.000 0.752 150 L CB -0.900 41.076 42.059 -0.138 0.000 0.899 150 L HN 0.268 nan 8.230 nan 0.000 0.433 151 S N -0.130 115.513 115.700 -0.096 0.000 2.383 151 S HA -0.214 4.257 4.470 0.001 0.000 0.229 151 S C 2.265 176.826 174.600 -0.065 0.000 1.030 151 S CA 1.717 59.883 58.200 -0.057 0.000 1.002 151 S CB -0.268 62.917 63.200 -0.026 0.000 0.829 151 S HN 0.597 nan 8.310 nan 0.000 0.467 152 S N 0.947 116.589 115.700 -0.096 0.000 2.447 152 S HA 0.093 4.564 4.470 0.001 0.000 0.233 152 S C 1.719 176.260 174.600 -0.099 0.000 1.006 152 S CA 0.794 58.946 58.200 -0.080 0.000 0.957 152 S CB -0.635 62.533 63.200 -0.054 0.000 0.773 152 S HN 0.605 nan 8.310 nan 0.000 0.507 153 L N -0.454 120.665 121.223 -0.173 0.000 2.492 153 L HA 0.254 4.594 4.340 0.001 0.000 0.223 153 L C 0.952 177.877 176.870 0.092 0.000 1.132 153 L CA 0.224 55.045 54.840 -0.031 0.000 0.850 153 L CB -0.428 41.540 42.059 -0.152 0.000 0.966 153 L HN 0.199 nan 8.230 nan 0.000 0.454 154 K N -0.529 119.889 120.400 0.029 0.000 3.209 154 K HA -0.145 4.176 4.320 0.001 0.000 0.289 154 K C -0.050 176.629 176.600 0.131 0.000 1.191 154 K CA 0.823 57.146 56.287 0.060 0.000 0.851 154 K CB -2.166 30.359 32.500 0.043 0.000 1.242 154 K HN 0.331 nan 8.250 nan 0.000 0.480 155 V N -1.377 118.620 119.914 0.138 0.000 2.715 155 V HA 0.208 4.328 4.120 0.001 0.000 0.299 155 V C 1.344 177.550 176.094 0.187 0.000 1.054 155 V CA -0.221 62.211 62.300 0.220 0.000 1.077 155 V CB 1.549 33.498 31.823 0.210 0.000 0.972 155 V HN 0.069 nan 8.190 nan 0.000 0.484 156 K N 2.948 123.510 120.400 0.272 0.000 2.334 156 K HA 0.342 4.663 4.320 0.001 0.000 0.195 156 K C 0.662 177.453 176.600 0.318 0.000 1.045 156 K CA 1.014 57.480 56.287 0.298 0.000 1.004 156 K CB 0.819 33.564 32.500 0.408 0.000 0.837 156 K HN 1.023 nan 8.250 nan 0.000 0.510 157 G N 0.658 109.668 108.800 0.350 0.000 2.733 157 G HA2 0.521 4.482 3.960 0.001 0.000 0.297 157 G HA3 0.521 4.482 3.960 0.001 0.000 0.297 157 G C -1.385 173.650 174.900 0.225 0.000 1.422 157 G CA -0.734 44.532 45.100 0.277 0.000 0.942 157 G HN -0.037 nan 8.290 nan 0.000 0.510 158 L N 1.114 122.405 121.223 0.112 0.000 2.295 158 L HA 0.531 4.872 4.340 0.001 0.000 0.285 158 L C -0.243 176.667 176.870 0.067 0.000 1.035 158 L CA -1.156 53.747 54.840 0.105 0.000 0.806 158 L CB 1.921 43.988 42.059 0.013 0.000 1.214 158 L HN 0.182 nan 8.230 nan 0.000 0.426 159 V N 4.641 124.600 119.914 0.074 0.000 2.304 159 V HA 0.271 4.392 4.120 0.001 0.000 0.269 159 V C -0.102 175.973 176.094 -0.032 0.000 1.036 159 V CA -0.395 61.918 62.300 0.021 0.000 0.840 159 V CB 1.390 33.235 31.823 0.036 0.000 1.036 159 V HN 0.427 nan 8.190 nan 0.000 0.466 160 L N 5.538 126.717 121.223 -0.073 0.000 2.295 160 L HA 0.988 5.329 4.340 0.001 0.000 0.285 160 L C 0.559 177.329 176.870 -0.168 0.000 1.035 160 L CA 1.501 56.270 54.840 -0.118 0.000 0.806 160 L CB 1.038 43.028 42.059 -0.114 0.000 1.214 160 L HN 0.902 nan 8.230 nan 0.000 0.426 161 G N 4.119 112.781 108.800 -0.230 0.000 2.482 161 G HA2 -0.149 3.812 3.960 0.001 0.000 0.214 161 G HA3 -0.149 3.812 3.960 0.001 0.000 0.214 161 G C -2.900 171.778 174.900 -0.370 0.000 1.271 161 G CA -0.526 44.362 45.100 -0.355 0.000 0.944 161 G HN 0.627 nan 8.290 nan 0.000 0.568 162 P HA 0.442 nan 4.420 nan 0.000 0.271 162 P C 0.908 177.716 177.300 -0.819 0.000 1.233 162 P CA 0.448 63.089 63.100 -0.764 0.000 0.789 162 P CB 0.258 31.211 31.700 -1.246 0.000 0.951 163 I N -2.865 117.418 120.570 -0.478 0.000 4.160 163 I HA 0.232 4.403 4.170 0.001 0.000 0.325 163 I C 0.562 176.796 176.117 0.194 0.000 1.455 163 I CA -0.464 60.712 61.300 -0.206 0.000 1.142 163 I CB -0.276 37.607 38.000 -0.196 0.000 1.262 163 I HN 0.290 nan 8.210 nan 0.000 0.483 164 H N 1.569 120.734 119.070 0.158 0.000 2.509 164 H HA 0.397 4.954 4.556 0.001 0.000 0.359 164 H C -0.656 174.869 175.328 0.330 0.000 1.253 164 H CA -0.838 55.352 56.048 0.237 0.000 1.373 164 H CB 1.077 30.941 29.762 0.170 0.000 1.555 164 H HN 0.097 nan 8.280 nan 0.000 0.586 165 K N 0.982 121.581 120.400 0.332 0.000 2.383 165 K HA -0.004 4.316 4.320 0.001 0.000 0.286 165 K C -0.597 176.130 176.600 0.212 0.000 1.051 165 K CA -0.020 56.383 56.287 0.194 0.000 0.974 165 K CB 0.117 32.697 32.500 0.132 0.000 0.968 165 K HN 0.842 nan 8.250 nan 0.000 0.475 166 N N 4.671 123.401 118.700 0.051 0.000 2.653 166 N HA 0.007 4.748 4.740 0.001 0.000 0.261 166 N C -1.395 174.064 175.510 -0.085 0.000 1.216 166 N CA -0.402 52.637 53.050 -0.019 0.000 0.784 166 N CB 1.049 39.360 38.487 -0.293 0.000 1.327 166 N HN 0.639 nan 8.380 nan 0.000 0.539 167 Q N 2.502 122.303 119.800 0.002 0.000 2.286 167 Q HA 0.010 4.351 4.340 0.001 0.000 0.267 167 Q C -0.150 175.855 176.000 0.008 0.000 1.028 167 Q CA 0.052 55.850 55.803 -0.009 0.000 0.901 167 Q CB 0.861 29.607 28.738 0.013 0.000 1.183 167 Q HN 0.434 nan 8.270 nan 0.000 0.392 168 K N 4.506 124.878 120.400 -0.047 0.000 2.440 168 K HA -0.199 4.122 4.320 0.001 0.000 0.275 168 K C -0.645 175.973 176.600 0.030 0.000 1.082 168 K CA 0.516 56.767 56.287 -0.059 0.000 1.135 168 K CB 0.191 32.646 32.500 -0.075 0.000 0.864 168 K HN 0.616 nan 8.250 nan 0.000 0.479 169 D N 1.954 122.403 120.400 0.081 0.000 3.041 169 D HA -0.188 4.452 4.640 0.001 0.000 0.220 169 D C -0.944 175.555 176.300 0.330 0.000 1.157 169 D CA 1.293 55.432 54.000 0.232 0.000 0.876 169 D CB -0.824 40.038 40.800 0.104 0.000 1.107 169 D HN 0.726 nan 8.370 nan 0.000 0.422 170 D N 0.380 120.976 120.400 0.327 0.000 2.454 170 D HA 0.289 4.930 4.640 0.001 0.000 0.247 170 D C 1.345 177.632 176.300 -0.023 0.000 1.129 170 D CA -0.557 53.507 54.000 0.106 0.000 0.877 170 D CB 1.486 42.320 40.800 0.057 0.000 1.082 170 D HN -0.167 nan 8.370 nan 0.000 0.537 171 V N 3.556 123.262 119.914 -0.346 0.000 2.343 171 V HA -0.207 3.913 4.120 0.001 0.000 0.247 171 V C 2.528 178.449 176.094 -0.288 0.000 1.051 171 V CA 2.164 64.050 62.300 -0.689 0.000 1.036 171 V CB -0.620 30.782 31.823 -0.703 0.000 0.654 171 V HN 0.650 nan 8.190 nan 0.000 0.451 172 A N -0.872 121.846 122.820 -0.169 0.000 1.933 172 A HA -0.174 4.147 4.320 0.001 0.000 0.218 172 A C 1.923 179.473 177.584 -0.056 0.000 1.175 172 A CA 1.170 53.149 52.037 -0.097 0.000 0.628 172 A CB -0.297 18.662 19.000 -0.070 0.000 0.814 172 A HN 0.552 nan 8.150 nan 0.000 0.444 173 Q N 0.458 120.238 119.800 -0.033 0.000 2.244 173 Q HA 0.129 4.470 4.340 0.001 0.000 0.239 173 Q C -0.802 175.223 176.000 0.041 0.000 0.890 173 Q CA 0.285 56.089 55.803 0.002 0.000 0.964 173 Q CB 0.027 28.769 28.738 0.007 0.000 1.076 173 Q HN 0.415 nan 8.270 nan 0.000 0.447 174 T N 0.867 115.449 114.554 0.047 0.000 2.841 174 T HA 0.281 4.632 4.350 0.001 0.000 0.285 174 T C -1.177 173.578 174.700 0.091 0.000 0.991 174 T CA -0.575 61.606 62.100 0.136 0.000 0.966 174 T CB 1.720 70.754 68.868 0.277 0.000 0.962 174 T HN -0.062 nan 8.240 nan 0.000 0.438 175 D N 3.058 123.537 120.400 0.131 0.000 2.479 175 D HA 0.253 4.894 4.640 0.001 0.000 0.246 175 D C 0.781 177.119 176.300 0.063 0.000 1.336 175 D CA -0.542 53.486 54.000 0.045 0.000 0.967 175 D CB 1.050 41.855 40.800 0.009 0.000 1.275 175 D HN 0.360 nan 8.370 nan 0.000 0.577 176 L N 2.930 124.107 121.223 -0.076 0.000 2.599 176 L HA 0.117 4.458 4.340 0.001 0.000 0.230 176 L C 1.763 178.692 176.870 0.098 0.000 1.141 176 L CA 0.309 55.051 54.840 -0.162 0.000 0.877 176 L CB -0.028 41.808 42.059 -0.371 0.000 1.009 176 L HN 0.369 nan 8.230 nan 0.000 0.447 177 L N -1.052 120.107 121.223 -0.107 0.000 2.509 177 L HA 0.096 4.437 4.340 0.001 0.000 0.222 177 L C 0.962 177.675 176.870 -0.262 0.000 1.123 177 L CA 0.351 54.914 54.840 -0.462 0.000 0.856 177 L CB -0.006 41.580 42.059 -0.788 0.000 0.985 177 L HN 0.261 nan 8.230 nan 0.000 0.456 178 Q N 0.841 120.649 119.800 0.013 0.000 2.322 178 Q HA 0.439 4.780 4.340 0.001 0.000 0.265 178 Q C -0.568 175.574 176.000 0.237 0.000 0.985 178 Q CA -0.455 55.401 55.803 0.090 0.000 0.849 178 Q CB 2.900 31.662 28.738 0.040 0.000 1.274 178 Q HN 0.173 nan 8.270 nan 0.000 0.449 179 I N 2.157 122.879 120.570 0.253 0.000 2.496 179 I HA -0.033 4.138 4.170 0.001 0.000 0.285 179 I C 0.791 177.033 176.117 0.208 0.000 1.080 179 I CA -0.214 61.247 61.300 0.269 0.000 1.404 179 I CB 0.505 38.664 38.000 0.266 0.000 1.403 179 I HN 0.413 nan 8.210 nan 0.000 0.539 180 D N 9.623 130.166 120.400 0.238 0.000 2.434 180 D HA 0.011 4.652 4.640 0.001 0.000 0.252 180 D C -1.511 174.758 176.300 -0.052 0.000 1.185 180 D CA -1.605 52.432 54.000 0.061 0.000 0.886 180 D CB 1.360 42.163 40.800 0.005 0.000 1.148 180 D HN 0.239 nan 8.370 nan 0.000 0.483 181 P HA -0.135 nan 4.420 nan 0.000 0.221 181 P C 0.936 178.165 177.300 -0.119 0.000 1.145 181 P CA 0.664 63.737 63.100 -0.046 0.000 0.795 181 P CB 0.251 31.933 31.700 -0.031 0.000 0.775 182 N N -0.504 118.017 118.700 -0.300 0.000 2.272 182 N HA -0.123 4.618 4.740 0.001 0.000 0.185 182 N C 1.260 176.580 175.510 -0.316 0.000 1.014 182 N CA 1.110 53.927 53.050 -0.388 0.000 0.870 182 N CB -0.528 37.600 38.487 -0.598 0.000 0.975 182 N HN 0.350 nan 8.380 nan 0.000 0.433 183 F N 0.128 120.115 119.950 0.061 0.000 2.727 183 F HA 0.299 4.827 4.527 0.002 0.000 0.302 183 F C 1.677 177.525 175.800 0.081 0.000 1.097 183 F CA -0.107 57.934 58.000 0.068 0.000 1.330 183 F CB 0.403 39.445 39.000 0.070 0.000 1.084 183 F HN -0.023 nan 8.300 nan 0.000 0.578 184 G N 0.650 109.561 108.800 0.184 0.000 2.466 184 G HA2 -0.015 3.946 3.960 0.001 0.000 0.316 184 G HA3 -0.015 3.946 3.960 0.001 0.000 0.316 184 G C -0.608 174.392 174.900 0.166 0.000 1.270 184 G CA -0.584 44.611 45.100 0.158 0.000 0.982 184 G HN 0.401 nan 8.290 nan 0.000 0.506 185 S N -0.744 115.053 115.700 0.162 0.000 2.747 185 S HA 0.724 5.195 4.470 0.001 0.000 0.300 185 S C 1.176 175.908 174.600 0.221 0.000 1.121 185 S CA 0.281 58.577 58.200 0.161 0.000 0.995 185 S CB 2.090 65.363 63.200 0.121 0.000 1.113 185 S HN 0.784 nan 8.310 nan 0.000 0.547 186 K N 0.687 121.215 120.400 0.213 0.000 2.097 186 K HA -0.080 4.241 4.320 0.001 0.000 0.206 186 K C 1.767 178.525 176.600 0.264 0.000 1.049 186 K CA 1.389 57.835 56.287 0.264 0.000 0.933 186 K CB -0.527 32.097 32.500 0.207 0.000 0.717 186 K HN 0.737 nan 8.250 nan 0.000 0.442 187 E N 0.890 121.198 120.200 0.181 0.000 2.110 187 E HA -0.178 4.173 4.350 0.001 0.000 0.193 187 E C 1.575 178.265 176.600 0.151 0.000 0.988 187 E CA 0.981 57.467 56.400 0.143 0.000 0.804 187 E CB -0.364 29.394 29.700 0.097 0.000 0.745 187 E HN 0.311 nan 8.360 nan 0.000 0.458 188 D N 0.356 120.857 120.400 0.168 0.000 2.117 188 D HA -0.105 4.536 4.640 0.001 0.000 0.198 188 D C 1.765 178.168 176.300 0.171 0.000 0.982 188 D CA 0.547 54.635 54.000 0.146 0.000 0.828 188 D CB -0.488 40.403 40.800 0.151 0.000 0.967 188 D HN 0.140 nan 8.370 nan 0.000 0.464 189 F N 1.942 121.950 119.950 0.096 0.000 2.102 189 F HA -0.194 4.334 4.527 0.003 0.000 0.298 189 F C 1.799 177.641 175.800 0.071 0.000 1.105 189 F CA 1.397 59.451 58.000 0.090 0.000 1.239 189 F CB 0.062 39.161 39.000 0.165 0.000 0.991 189 F HN -0.204 nan 8.300 nan 0.000 0.474 190 D N -0.546 120.020 120.400 0.275 0.000 2.104 190 D HA -0.209 4.431 4.640 0.001 0.000 0.194 190 D C 2.487 178.794 176.300 0.012 0.000 0.994 190 D CA 1.685 55.769 54.000 0.139 0.000 0.830 190 D CB -0.778 40.110 40.800 0.147 0.000 0.959 190 D HN 0.332 nan 8.370 nan 0.000 0.452 191 S N -0.209 115.504 115.700 0.022 0.000 2.383 191 S HA -0.110 4.361 4.470 0.001 0.000 0.227 191 S C 1.899 176.464 174.600 -0.058 0.000 1.026 191 S CA 0.446 58.640 58.200 -0.010 0.000 0.981 191 S CB -0.231 62.977 63.200 0.013 0.000 0.818 191 S HN 0.168 nan 8.310 nan 0.000 0.472 192 L N 1.718 122.884 121.223 -0.096 0.000 1.994 192 L HA 0.058 4.398 4.340 0.001 0.000 0.208 192 L C 2.218 178.963 176.870 -0.208 0.000 1.071 192 L CA 1.761 56.511 54.840 -0.151 0.000 0.745 192 L CB -0.776 41.164 42.059 -0.199 0.000 0.892 192 L HN 0.390 nan 8.230 nan 0.000 0.431 193 L N -0.560 120.482 121.223 -0.301 0.000 2.013 193 L HA -0.299 4.042 4.340 0.001 0.000 0.212 193 L C 2.771 179.543 176.870 -0.164 0.000 1.073 193 L CA 2.091 56.764 54.840 -0.279 0.000 0.753 193 L CB -0.688 41.203 42.059 -0.279 0.000 0.890 193 L HN 0.558 nan 8.230 nan 0.000 0.432 194 Q N -0.283 119.450 119.800 -0.112 0.000 2.084 194 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 194 Q C 2.186 178.142 176.000 -0.073 0.000 0.978 194 Q CA 2.147 57.905 55.803 -0.074 0.000 0.844 194 Q CB 0.079 28.790 28.738 -0.044 0.000 0.898 194 Q HN 0.483 nan 8.270 nan 0.000 0.426 195 S N 0.711 116.367 115.700 -0.074 0.000 2.383 195 S HA -0.059 4.412 4.470 0.001 0.000 0.227 195 S C 2.021 176.578 174.600 -0.072 0.000 1.026 195 S CA 0.828 58.991 58.200 -0.062 0.000 0.981 195 S CB -0.265 62.904 63.200 -0.052 0.000 0.818 195 S HN 0.555 nan 8.310 nan 0.000 0.472 196 A N 2.619 125.380 122.820 -0.099 0.000 1.873 196 A HA -0.113 4.207 4.320 0.001 0.000 0.215 196 A C 2.082 179.597 177.584 -0.115 0.000 1.186 196 A CA 1.236 53.207 52.037 -0.110 0.000 0.616 196 A CB -0.384 18.527 19.000 -0.149 0.000 0.823 196 A HN 0.239 nan 8.150 nan 0.000 0.442 197 K N 0.258 120.582 120.400 -0.127 0.000 2.063 197 K HA -0.143 4.178 4.320 0.001 0.000 0.208 197 K C 1.824 178.371 176.600 -0.088 0.000 1.048 197 K CA 1.723 57.936 56.287 -0.124 0.000 0.928 197 K CB -0.591 31.840 32.500 -0.114 0.000 0.713 197 K HN 0.572 nan 8.250 nan 0.000 0.442 198 K N 1.281 121.640 120.400 -0.069 0.000 2.113 198 K HA -0.140 4.181 4.320 0.001 0.000 0.208 198 K C 1.314 177.887 176.600 -0.045 0.000 1.047 198 K CA 1.501 57.758 56.287 -0.050 0.000 0.928 198 K CB 0.065 32.540 32.500 -0.042 0.000 0.716 198 K HN 0.090 nan 8.250 nan 0.000 0.446 199 K N 0.017 120.387 120.400 -0.050 0.000 2.437 199 K HA 0.115 4.436 4.320 0.001 0.000 0.198 199 K C -0.085 176.489 176.600 -0.043 0.000 1.024 199 K CA 0.198 56.461 56.287 -0.040 0.000 1.148 199 K CB 0.628 33.106 32.500 -0.036 0.000 0.860 199 K HN -0.009 nan 8.250 nan 0.000 0.515 200 S N 0.771 116.436 115.700 -0.058 0.000 3.672 200 S HA -0.143 4.328 4.470 0.001 0.000 0.319 200 S C -0.095 174.461 174.600 -0.073 0.000 1.151 200 S CA 0.517 58.680 58.200 -0.061 0.000 0.911 200 S CB -1.417 61.767 63.200 -0.026 0.000 0.939 200 S HN 0.368 nan 8.310 nan 0.000 0.524 201 I N 1.868 122.375 120.570 -0.104 0.000 2.389 201 I HA 0.415 4.586 4.170 0.001 0.000 0.288 201 I C 0.569 176.556 176.117 -0.218 0.000 0.999 201 I CA -0.775 60.457 61.300 -0.113 0.000 1.129 201 I CB 1.131 39.087 38.000 -0.073 0.000 1.288 201 I HN 0.003 nan 8.210 nan 0.000 0.444 202 R N 4.829 125.122 120.500 -0.345 0.000 2.549 202 R HA 0.698 5.039 4.340 0.001 0.000 0.267 202 R C -0.822 175.264 176.300 -0.356 0.000 1.045 202 R CA -0.869 54.888 56.100 -0.571 0.000 1.115 202 R CB 1.809 31.250 30.300 -1.432 0.000 1.121 202 R HN 0.294 nan 8.270 nan 0.000 0.543 203 V N 3.076 122.794 119.914 -0.326 0.000 2.487 203 V HA 0.429 4.550 4.120 0.001 0.000 0.298 203 V C -0.002 175.987 176.094 -0.175 0.000 1.028 203 V CA -0.660 61.512 62.300 -0.213 0.000 0.860 203 V CB 1.757 33.420 31.823 -0.266 0.000 0.991 203 V HN 0.541 nan 8.190 nan 0.000 0.427 204 I N 5.406 125.919 120.570 -0.096 0.000 2.378 204 I HA 0.432 4.602 4.170 0.001 0.000 0.291 204 I C -0.717 175.320 176.117 -0.134 0.000 0.992 204 I CA -0.667 60.564 61.300 -0.114 0.000 1.154 204 I CB 1.821 39.830 38.000 0.015 0.000 1.315 204 I HN 0.407 nan 8.210 nan 0.000 0.448 205 L N 6.762 127.859 121.223 -0.211 0.000 2.282 205 L HA 0.433 4.774 4.340 0.001 0.000 0.288 205 L C -0.354 176.507 176.870 -0.015 0.000 1.033 205 L CA -0.047 54.713 54.840 -0.133 0.000 0.807 205 L CB 1.081 43.014 42.059 -0.210 0.000 1.209 205 L HN 0.451 nan 8.230 nan 0.000 0.423 206 D N 4.827 125.188 120.400 -0.066 0.000 2.317 206 D HA 0.159 4.800 4.640 0.001 0.000 0.252 206 D C 0.202 176.460 176.300 -0.069 0.000 1.174 206 D CA 0.124 54.094 54.000 -0.049 0.000 0.866 206 D CB 0.993 41.731 40.800 -0.104 0.000 1.127 206 D HN 0.673 nan 8.370 nan 0.000 0.467 207 L N 3.091 124.294 121.223 -0.035 0.000 2.910 207 L HA 0.109 4.450 4.340 0.001 0.000 0.252 207 L C 0.597 177.390 176.870 -0.127 0.000 1.195 207 L CA -0.197 54.583 54.840 -0.100 0.000 1.003 207 L CB 0.446 42.391 42.059 -0.190 0.000 1.328 207 L HN 0.261 nan 8.230 nan 0.000 0.540 208 T N 2.365 116.848 114.554 -0.118 0.000 2.778 208 T HA -0.020 4.331 4.350 0.001 0.000 0.282 208 T C -1.527 173.071 174.700 -0.171 0.000 0.983 208 T CA -0.675 61.247 62.100 -0.297 0.000 1.193 208 T CB 0.666 69.399 68.868 -0.224 0.000 0.938 208 T HN 0.062 nan 8.240 nan 0.000 0.523 209 P HA -0.035 nan 4.420 nan 0.000 0.213 209 P C 0.839 178.170 177.300 0.052 0.000 1.170 209 P CA 0.813 63.894 63.100 -0.032 0.000 0.889 209 P CB 0.164 31.843 31.700 -0.034 0.000 0.782 210 N N -0.651 117.763 118.700 -0.477 0.000 2.920 210 N HA 0.013 4.754 4.740 0.001 0.000 0.310 210 N C 0.667 175.932 175.510 -0.409 0.000 1.384 210 N CA -0.573 52.066 53.050 -0.686 0.000 1.083 210 N CB -0.923 36.670 38.487 -1.491 0.000 1.389 210 N HN 0.133 nan 8.380 nan 0.000 0.521 211 Y N -1.029 119.096 120.300 -0.293 0.000 2.497 211 Y HA 0.106 4.657 4.550 0.002 0.000 0.292 211 Y C 1.444 177.244 175.900 -0.167 0.000 1.137 211 Y CA 0.669 58.632 58.100 -0.227 0.000 1.285 211 Y CB -0.016 38.325 38.460 -0.198 0.000 0.991 211 Y HN 0.060 nan 8.280 nan 0.000 0.556 212 R N 0.941 121.057 120.500 -0.639 0.000 2.276 212 R HA 0.204 4.545 4.340 0.001 0.000 0.196 212 R C 1.149 177.305 176.300 -0.240 0.000 0.961 212 R CA 0.454 56.298 56.100 -0.426 0.000 1.024 212 R CB 0.190 30.195 30.300 -0.491 0.000 0.940 212 R HN 0.480 nan 8.270 nan 0.000 0.480 213 G N -0.167 108.482 108.800 -0.251 0.000 2.642 213 G HA2 0.047 4.008 3.960 0.001 0.000 0.291 213 G HA3 0.047 4.008 3.960 0.001 0.000 0.291 213 G C 0.036 174.853 174.900 -0.139 0.000 1.345 213 G CA -0.415 44.577 45.100 -0.179 0.000 1.043 213 G HN 0.018 nan 8.290 nan 0.000 0.528 214 E N -0.848 119.292 120.200 -0.099 0.000 2.057 214 E HA -0.069 4.282 4.350 0.001 0.000 0.190 214 E C 0.315 176.882 176.600 -0.056 0.000 0.969 214 E CA -0.110 56.255 56.400 -0.059 0.000 0.812 214 E CB 0.064 29.747 29.700 -0.028 0.000 0.777 214 E HN 0.315 nan 8.360 nan 0.000 0.455 215 N N 0.862 119.525 118.700 -0.063 0.000 2.415 215 N HA 0.035 4.776 4.740 0.001 0.000 0.246 215 N C -0.016 175.385 175.510 -0.181 0.000 1.078 215 N CA 0.169 53.195 53.050 -0.040 0.000 0.942 215 N CB 1.181 39.688 38.487 0.034 0.000 1.140 215 N HN -0.056 nan 8.380 nan 0.000 0.501 216 S N 2.401 117.978 115.700 -0.205 0.000 2.462 216 S HA -0.128 4.343 4.470 0.001 0.000 0.243 216 S C 0.629 174.773 174.600 -0.760 0.000 1.003 216 S CA 1.055 58.969 58.200 -0.476 0.000 0.970 216 S CB -0.124 62.789 63.200 -0.478 0.000 0.762 216 S HN 0.720 nan 8.310 nan 0.000 0.510 217 W N -0.106 121.129 121.300 -0.109 0.000 3.005 217 W HA 0.528 5.188 4.660 0.001 0.000 0.374 217 W C -0.421 176.190 176.519 0.153 0.000 1.076 217 W CA -0.774 56.580 57.345 0.015 0.000 1.794 217 W CB -0.162 29.336 29.460 0.062 0.000 1.113 217 W HN -0.046 nan 8.180 nan 0.000 0.584 218 F N -0.554 119.468 119.950 0.121 0.000 2.183 218 F HA -0.364 4.163 4.527 0.002 0.000 0.318 218 F C 1.507 177.371 175.800 0.107 0.000 1.197 218 F CA 0.887 58.939 58.000 0.085 0.000 0.913 218 F CB -1.104 37.937 39.000 0.069 0.000 4.134 218 F HN -0.150 nan 8.300 nan 0.000 0.138 219 S N -0.783 115.085 115.700 0.280 0.000 2.468 219 S HA 0.081 4.552 4.470 0.001 0.000 0.226 219 S C 0.677 175.367 174.600 0.150 0.000 1.051 219 S CA 1.015 59.321 58.200 0.176 0.000 0.943 219 S CB 0.010 63.284 63.200 0.123 0.000 0.810 219 S HN 0.652 nan 8.310 nan 0.000 0.509 220 T N 3.806 118.448 114.554 0.146 0.000 2.916 220 T HA 0.271 4.622 4.350 0.001 0.000 0.303 220 T C 0.080 174.832 174.700 0.086 0.000 1.025 220 T CA -0.243 61.906 62.100 0.082 0.000 1.142 220 T CB 1.051 69.934 68.868 0.027 0.000 0.947 220 T HN 0.677 nan 8.240 nan 0.000 0.544 221 Q N 2.086 121.925 119.800 0.064 0.000 2.535 221 Q HA 0.327 4.667 4.340 0.001 0.000 0.228 221 Q C 1.254 177.302 176.000 0.080 0.000 1.062 221 Q CA -0.529 55.322 55.803 0.080 0.000 0.967 221 Q CB 0.201 28.980 28.738 0.067 0.000 1.273 221 Q HN 0.324 nan 8.270 nan 0.000 0.554 222 V N 0.558 120.531 119.914 0.098 0.000 2.488 222 V HA -0.192 3.928 4.120 0.001 0.000 0.246 222 V C 1.568 177.696 176.094 0.058 0.000 1.046 222 V CA 2.393 64.744 62.300 0.085 0.000 1.053 222 V CB -0.816 31.059 31.823 0.087 0.000 0.679 222 V HN 1.056 nan 8.190 nan 0.000 0.458 223 D N 0.088 120.554 120.400 0.111 0.000 2.144 223 D HA -0.227 4.414 4.640 0.001 0.000 0.199 223 D C 2.005 178.356 176.300 0.085 0.000 0.984 223 D CA 2.068 56.154 54.000 0.143 0.000 0.834 223 D CB -0.615 40.279 40.800 0.156 0.000 0.955 223 D HN 0.549 nan 8.370 nan 0.000 0.465 224 T N -1.388 113.191 114.554 0.043 0.000 2.777 224 T HA -0.128 4.223 4.350 0.001 0.000 0.266 224 T C 2.170 176.868 174.700 -0.004 0.000 1.040 224 T CA 1.230 63.333 62.100 0.006 0.000 1.141 224 T CB -0.922 67.927 68.868 -0.033 0.000 0.868 224 T HN 0.094 nan 8.240 nan 0.000 0.444 225 V N 2.184 122.104 119.914 0.010 0.000 2.358 225 V HA -0.035 4.086 4.120 0.001 0.000 0.246 225 V C 3.224 179.379 176.094 0.101 0.000 1.047 225 V CA 1.579 63.921 62.300 0.069 0.000 1.035 225 V CB -1.356 30.596 31.823 0.215 0.000 0.658 225 V HN 0.675 nan 8.190 nan 0.000 0.452 226 A N -0.418 122.433 122.820 0.052 0.000 1.969 226 A HA -0.180 4.141 4.320 0.001 0.000 0.218 226 A C 2.370 180.058 177.584 0.172 0.000 1.169 226 A CA 2.183 54.270 52.037 0.084 0.000 0.635 226 A CB -0.832 17.923 19.000 -0.407 0.000 0.810 226 A HN 0.494 nan 8.150 nan 0.000 0.445 227 T N 0.124 114.749 114.554 0.118 0.000 2.788 227 T HA -0.137 4.214 4.350 0.001 0.000 0.268 227 T C 1.894 176.598 174.700 0.007 0.000 1.044 227 T CA 1.648 63.801 62.100 0.088 0.000 1.139 227 T CB -0.180 68.726 68.868 0.064 0.000 0.867 227 T HN 0.532 nan 8.240 nan 0.000 0.454 228 K N 0.522 120.907 120.400 -0.025 0.000 2.032 228 K HA -0.087 4.234 4.320 0.001 0.000 0.209 228 K C 2.332 178.840 176.600 -0.154 0.000 1.048 228 K CA 1.176 57.414 56.287 -0.080 0.000 0.927 228 K CB -0.518 31.942 32.500 -0.067 0.000 0.712 228 K HN 0.174 nan 8.250 nan 0.000 0.441 229 V N 1.851 121.637 119.914 -0.214 0.000 2.295 229 V HA -0.277 3.844 4.120 0.001 0.000 0.246 229 V C 2.412 178.210 176.094 -0.492 0.000 1.049 229 V CA 1.763 63.777 62.300 -0.476 0.000 1.024 229 V CB -0.462 30.828 31.823 -0.888 0.000 0.648 229 V HN 0.360 nan 8.190 nan 0.000 0.447 230 K N 0.030 120.254 120.400 -0.293 0.000 2.009 230 K HA -0.269 4.051 4.320 0.001 0.000 0.210 230 K C 1.887 178.428 176.600 -0.099 0.000 1.049 230 K CA 2.245 58.464 56.287 -0.114 0.000 0.929 230 K CB -0.338 32.247 32.500 0.141 0.000 0.714 230 K HN 0.448 nan 8.250 nan 0.000 0.440 231 D N 0.149 120.503 120.400 -0.077 0.000 2.178 231 D HA -0.132 4.509 4.640 0.001 0.000 0.201 231 D C 1.708 177.951 176.300 -0.095 0.000 0.980 231 D CA 1.269 55.228 54.000 -0.067 0.000 0.842 231 D CB -0.160 40.597 40.800 -0.072 0.000 0.948 231 D HN 0.388 nan 8.370 nan 0.000 0.472 232 A N 0.449 123.185 122.820 -0.139 0.000 1.968 232 A HA -0.063 4.257 4.320 0.001 0.000 0.217 232 A C 2.341 179.906 177.584 -0.032 0.000 1.169 232 A CA 0.606 52.597 52.037 -0.077 0.000 0.638 232 A CB -0.607 18.374 19.000 -0.033 0.000 0.812 232 A HN 0.187 nan 8.150 nan 0.000 0.446 233 L N -0.208 120.853 121.223 -0.271 0.000 2.012 233 L HA -0.237 4.104 4.340 0.001 0.000 0.210 233 L C 2.630 179.447 176.870 -0.087 0.000 1.073 233 L CA 1.823 56.397 54.840 -0.444 0.000 0.748 233 L CB -0.771 40.995 42.059 -0.488 0.000 0.891 233 L HN 0.477 nan 8.230 nan 0.000 0.431 234 E N -0.170 120.006 120.200 -0.039 0.000 2.051 234 E HA -0.261 4.090 4.350 0.001 0.000 0.192 234 E C 2.133 178.726 176.600 -0.011 0.000 0.991 234 E CA 1.470 57.875 56.400 0.008 0.000 0.799 234 E CB -0.421 29.316 29.700 0.061 0.000 0.748 234 E HN 0.386 nan 8.360 nan 0.000 0.449 235 F N 0.662 120.503 119.950 -0.181 0.000 2.069 235 F HA -0.220 4.308 4.527 0.001 0.000 0.298 235 F C 1.837 177.454 175.800 -0.306 0.000 1.113 235 F CA 1.776 59.584 58.000 -0.321 0.000 1.214 235 F CB -0.373 38.300 39.000 -0.545 0.000 0.978 235 F HN -0.003 nan 8.300 nan 0.000 0.474 236 W N 0.210 121.571 121.300 0.102 0.000 2.436 236 W HA -0.017 4.644 4.660 0.002 0.000 0.284 236 W C 2.246 178.764 176.519 -0.001 0.000 1.225 236 W CA 0.523 57.919 57.345 0.086 0.000 1.271 236 W CB -0.526 29.163 29.460 0.382 0.000 1.114 236 W HN 0.010 nan 8.180 nan 0.000 0.559 237 L N 0.145 121.451 121.223 0.138 0.000 1.989 237 L HA -0.307 4.034 4.340 0.001 0.000 0.211 237 L C 2.757 179.334 176.870 -0.489 0.000 1.071 237 L CA 1.224 55.817 54.840 -0.412 0.000 0.749 237 L CB -0.980 40.474 42.059 -1.008 0.000 0.890 237 L HN 0.003 nan 8.230 nan 0.000 0.431 238 Q N -0.404 119.213 119.800 -0.306 0.000 2.181 238 Q HA -0.173 4.168 4.340 0.001 0.000 0.205 238 Q C 2.307 178.265 176.000 -0.069 0.000 0.980 238 Q CA 1.644 57.425 55.803 -0.037 0.000 0.862 238 Q CB -0.334 28.373 28.738 -0.052 0.000 0.905 238 Q HN 0.575 nan 8.270 nan 0.000 0.429 239 A N -0.435 122.296 122.820 -0.149 0.000 2.119 239 A HA 0.191 4.512 4.320 0.001 0.000 0.217 239 A C 1.510 179.160 177.584 0.110 0.000 1.153 239 A CA 1.350 53.371 52.037 -0.026 0.000 0.692 239 A CB -0.142 18.873 19.000 0.025 0.000 0.799 239 A HN 0.454 nan 8.150 nan 0.000 0.458 240 G N -1.258 107.591 108.800 0.082 0.000 2.143 240 G HA2 -0.051 3.909 3.960 0.001 0.000 0.175 240 G HA3 -0.051 3.909 3.960 0.001 0.000 0.175 240 G C 0.316 175.230 174.900 0.023 0.000 1.004 240 G CA 0.236 45.373 45.100 0.063 0.000 0.671 240 G HN 1.673 nan 8.290 nan 0.000 0.512 241 V N -1.672 118.269 119.914 0.045 0.000 2.843 241 V HA 0.437 4.558 4.120 0.001 0.000 0.305 241 V C 0.990 176.974 176.094 -0.183 0.000 1.065 241 V CA 0.667 62.914 62.300 -0.089 0.000 1.116 241 V CB 1.181 32.900 31.823 -0.173 0.000 0.968 241 V HN 0.148 nan 8.190 nan 0.000 0.487 242 D N 3.002 123.278 120.400 -0.207 0.000 2.340 242 D HA 0.353 4.994 4.640 0.001 0.000 0.220 242 D C 0.783 177.066 176.300 -0.028 0.000 1.039 242 D CA 1.376 55.313 54.000 -0.105 0.000 0.866 242 D CB 0.852 41.483 40.800 -0.281 0.000 0.913 242 D HN 1.099 nan 8.370 nan 0.000 0.523 243 G N -0.160 108.422 108.800 -0.363 0.000 2.343 243 G HA2 0.313 4.273 3.960 0.001 0.000 0.289 243 G HA3 0.313 4.273 3.960 0.001 0.000 0.289 243 G C -1.847 172.529 174.900 -0.872 0.000 1.295 243 G CA -1.037 43.798 45.100 -0.441 0.000 0.869 243 G HN 0.040 nan 8.290 nan 0.000 0.522 244 F N -0.220 119.736 119.950 0.011 0.000 2.613 244 F HA 0.773 5.301 4.527 0.003 0.000 0.310 244 F C 0.033 175.830 175.800 -0.005 0.000 1.085 244 F CA -0.699 57.294 58.000 -0.012 0.000 0.945 244 F CB 2.742 41.732 39.000 -0.017 0.000 1.298 244 F HN 0.610 nan 8.300 nan 0.000 0.455 245 Q N 1.894 121.806 119.800 0.187 0.000 2.375 245 Q HA 0.770 5.111 4.340 0.001 0.000 0.271 245 Q C -1.929 174.155 176.000 0.139 0.000 1.074 245 Q CA -0.965 54.915 55.803 0.128 0.000 0.808 245 Q CB 2.748 31.523 28.738 0.062 0.000 1.327 245 Q HN 0.674 nan 8.270 nan 0.000 0.441 246 V N 0.627 120.656 119.914 0.193 0.000 2.577 246 V HA 0.708 4.829 4.120 0.001 0.000 0.303 246 V C -0.861 175.410 176.094 0.295 0.000 1.042 246 V CA -0.855 61.609 62.300 0.274 0.000 0.872 246 V CB 1.699 33.818 31.823 0.493 0.000 0.998 246 V HN 0.832 nan 8.190 nan 0.000 0.423 247 R N 1.725 122.372 120.500 0.246 0.000 2.797 247 R HA 0.538 4.878 4.340 0.001 0.000 0.251 247 R C -0.354 176.152 176.300 0.343 0.000 1.107 247 R CA -0.501 55.724 56.100 0.208 0.000 1.084 247 R CB 0.672 31.027 30.300 0.092 0.000 1.205 247 R HN 0.918 nan 8.270 nan 0.000 0.515 248 D N 0.728 121.283 120.400 0.258 0.000 2.837 248 D HA -0.163 4.478 4.640 0.001 0.000 0.230 248 D C 0.972 177.523 176.300 0.419 0.000 1.152 248 D CA 1.051 55.231 54.000 0.299 0.000 0.736 248 D CB -1.232 39.727 40.800 0.266 0.000 1.084 248 D HN 0.619 nan 8.370 nan 0.000 0.429 249 I N -1.884 118.862 120.570 0.293 0.000 2.700 249 I HA -0.203 3.968 4.170 0.001 0.000 0.261 249 I C 2.248 178.352 176.117 -0.022 0.000 1.219 249 I CA 1.093 62.448 61.300 0.093 0.000 1.463 249 I CB -0.251 37.779 38.000 0.050 0.000 1.092 249 I HN 0.002 nan 8.210 nan 0.000 0.452 250 E N 2.455 122.684 120.200 0.048 0.000 2.209 250 E HA -0.279 4.072 4.350 0.001 0.000 0.196 250 E C 0.975 177.589 176.600 0.023 0.000 0.993 250 E CA 1.834 58.248 56.400 0.024 0.000 0.819 250 E CB -1.039 28.688 29.700 0.044 0.000 0.745 250 E HN 0.747 nan 8.360 nan 0.000 0.477 251 N N 0.248 118.994 118.700 0.077 0.000 2.398 251 N HA 0.067 4.808 4.740 0.001 0.000 0.188 251 N C -0.305 175.190 175.510 -0.024 0.000 1.122 251 N CA -0.249 52.868 53.050 0.111 0.000 0.866 251 N CB 0.190 38.846 38.487 0.281 0.000 0.970 251 N HN 0.042 nan 8.380 nan 0.000 0.462 252 L N 1.606 122.645 121.223 -0.306 0.000 2.255 252 L HA 0.218 4.559 4.340 0.001 0.000 0.289 252 L C 0.078 176.827 176.870 -0.201 0.000 1.046 252 L CA -0.700 53.824 54.840 -0.527 0.000 0.816 252 L CB 0.542 41.947 42.059 -1.089 0.000 1.197 252 L HN -0.097 nan 8.230 nan 0.000 0.427 253 K N 4.482 124.841 120.400 -0.068 0.000 2.447 253 K HA 0.000 4.321 4.320 0.001 0.000 0.281 253 K C -0.036 176.614 176.600 0.083 0.000 1.031 253 K CA 0.358 56.654 56.287 0.016 0.000 1.019 253 K CB 0.213 32.749 32.500 0.060 0.000 0.918 253 K HN 0.767 nan 8.250 nan 0.000 0.476 254 D N 2.294 122.693 120.400 -0.002 0.000 2.947 254 D HA -0.179 4.462 4.640 0.001 0.000 0.224 254 D C 0.652 176.897 176.300 -0.091 0.000 1.132 254 D CA 0.927 54.877 54.000 -0.083 0.000 0.801 254 D CB -1.059 39.638 40.800 -0.171 0.000 1.097 254 D HN 0.670 nan 8.370 nan 0.000 0.431 255 A N 0.012 122.779 122.820 -0.088 0.000 1.892 255 A HA -0.238 4.083 4.320 0.001 0.000 0.218 255 A C 2.385 179.860 177.584 -0.181 0.000 1.188 255 A CA 3.051 55.001 52.037 -0.144 0.000 0.631 255 A CB -0.821 18.087 19.000 -0.154 0.000 0.822 255 A HN 0.786 nan 8.150 nan 0.000 0.447 256 S N -0.451 115.151 115.700 -0.164 0.000 2.382 256 S HA -0.144 4.326 4.470 0.001 0.000 0.228 256 S C 2.037 176.503 174.600 -0.223 0.000 1.027 256 S CA 1.768 59.870 58.200 -0.163 0.000 0.991 256 S CB -0.739 62.384 63.200 -0.129 0.000 0.823 256 S HN 0.481 nan 8.310 nan 0.000 0.469 257 S N 1.491 117.011 115.700 -0.300 0.000 2.348 257 S HA 0.067 4.538 4.470 0.001 0.000 0.221 257 S C 1.487 175.770 174.600 -0.529 0.000 1.033 257 S CA 1.475 59.429 58.200 -0.410 0.000 1.010 257 S CB -0.731 62.148 63.200 -0.534 0.000 0.891 257 S HN 0.620 nan 8.310 nan 0.000 0.442 258 F N 1.579 121.194 119.950 -0.558 0.000 2.134 258 F HA -0.033 4.494 4.527 0.001 0.000 0.299 258 F C 2.116 177.151 175.800 -1.275 0.000 1.097 258 F CA 0.733 58.095 58.000 -1.064 0.000 1.264 258 F CB -0.452 37.776 39.000 -1.286 0.000 1.001 258 F HN 0.104 nan 8.300 nan 0.000 0.479 259 L N -0.381 120.502 121.223 -0.566 0.000 2.046 259 L HA -0.236 4.105 4.340 0.001 0.000 0.208 259 L C 2.777 179.567 176.870 -0.134 0.000 1.077 259 L CA 1.086 55.775 54.840 -0.253 0.000 0.747 259 L CB -1.040 40.956 42.059 -0.105 0.000 0.896 259 L HN 0.148 nan 8.230 nan 0.000 0.432 260 A N -0.033 122.686 122.820 -0.169 0.000 1.883 260 A HA -0.289 4.031 4.320 0.001 0.000 0.217 260 A C 2.273 179.816 177.584 -0.068 0.000 1.186 260 A CA 2.056 54.033 52.037 -0.099 0.000 0.624 260 A CB -0.613 18.317 19.000 -0.117 0.000 0.822 260 A HN 0.496 nan 8.150 nan 0.000 0.444 261 E N -1.177 118.933 120.200 -0.150 0.000 2.058 261 E HA -0.230 4.120 4.350 0.001 0.000 0.194 261 E C 1.827 178.507 176.600 0.135 0.000 0.997 261 E CA 1.567 57.938 56.400 -0.049 0.000 0.801 261 E CB -0.241 29.399 29.700 -0.101 0.000 0.746 261 E HN 0.770 nan 8.360 nan 0.000 0.450 262 W N 0.875 122.216 121.300 0.068 0.000 2.388 262 W HA -0.091 4.569 4.660 0.001 0.000 0.294 262 W C 2.375 178.929 176.519 0.058 0.000 1.212 262 W CA 0.730 58.106 57.345 0.053 0.000 1.271 262 W CB -1.229 28.260 29.460 0.047 0.000 1.126 262 W HN 0.301 nan 8.180 nan 0.000 0.535 263 Q N 1.022 120.973 119.800 0.251 0.000 2.084 263 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 263 Q C 1.813 177.902 176.000 0.150 0.000 0.978 263 Q CA 1.776 57.679 55.803 0.167 0.000 0.844 263 Q CB -0.550 28.247 28.738 0.099 0.000 0.898 263 Q HN 0.059 nan 8.270 nan 0.000 0.426 264 N N -0.320 118.458 118.700 0.131 0.000 2.188 264 N HA -0.067 4.673 4.740 0.001 0.000 0.184 264 N C 1.676 177.276 175.510 0.150 0.000 1.018 264 N CA 1.160 54.281 53.050 0.117 0.000 0.858 264 N CB -0.127 38.409 38.487 0.081 0.000 0.989 264 N HN 0.343 nan 8.380 nan 0.000 0.426 265 I N 0.737 121.414 120.570 0.179 0.000 2.179 265 I HA -0.241 3.930 4.170 0.001 0.000 0.242 265 I C 1.959 178.212 176.117 0.226 0.000 1.088 265 I CA 1.089 62.504 61.300 0.192 0.000 1.357 265 I CB -0.424 37.686 38.000 0.184 0.000 1.051 265 I HN 0.094 nan 8.210 nan 0.000 0.409 266 T N 0.646 115.337 114.554 0.229 0.000 2.708 266 T HA -0.136 4.215 4.350 0.001 0.000 0.266 266 T C 1.940 176.801 174.700 0.269 0.000 1.037 266 T CA 1.095 63.356 62.100 0.268 0.000 1.146 266 T CB -0.059 68.974 68.868 0.275 0.000 0.865 266 T HN 0.163 nan 8.240 nan 0.000 0.435 267 K N 0.890 121.417 120.400 0.211 0.000 2.103 267 K HA 0.098 4.419 4.320 0.001 0.000 0.204 267 K C 2.619 179.328 176.600 0.183 0.000 1.052 267 K CA 1.013 57.413 56.287 0.189 0.000 0.945 267 K CB -0.986 31.600 32.500 0.145 0.000 0.722 267 K HN 0.429 nan 8.250 nan 0.000 0.443 268 G N 0.669 109.574 108.800 0.175 0.000 2.469 268 G HA2 -0.275 3.686 3.960 0.001 0.000 0.220 268 G HA3 -0.275 3.686 3.960 0.001 0.000 0.220 268 G C 1.502 176.508 174.900 0.176 0.000 1.136 268 G CA 0.467 45.658 45.100 0.152 0.000 0.759 268 G HN 0.234 nan 8.290 nan 0.000 0.562 269 F N 0.975 120.989 119.950 0.106 0.000 2.113 269 F HA 0.232 4.759 4.527 0.001 0.000 0.297 269 F C 1.234 177.093 175.800 0.100 0.000 1.103 269 F CA 1.546 59.608 58.000 0.104 0.000 1.248 269 F CB 0.255 39.335 39.000 0.133 0.000 0.999 269 F HN 0.178 nan 8.300 nan 0.000 0.475 270 S N -1.148 114.753 115.700 0.336 0.000 2.556 270 S HA 0.163 4.634 4.470 0.001 0.000 0.280 270 S C 0.166 174.907 174.600 0.235 0.000 1.141 270 S CA -0.197 58.141 58.200 0.231 0.000 0.883 270 S CB 0.850 64.216 63.200 0.276 0.000 1.103 270 S HN 0.410 nan 8.310 nan 0.000 0.453 271 E N 1.659 121.968 120.200 0.181 0.000 2.338 271 E HA -0.075 4.276 4.350 0.001 0.000 0.197 271 E C 0.082 176.846 176.600 0.273 0.000 1.007 271 E CA 1.014 57.527 56.400 0.188 0.000 0.849 271 E CB -0.182 29.587 29.700 0.116 0.000 0.774 271 E HN 0.583 nan 8.360 nan 0.000 0.506 272 D N 0.879 121.455 120.400 0.294 0.000 2.325 272 D HA 0.073 4.714 4.640 0.001 0.000 0.225 272 D C -0.037 176.639 176.300 0.628 0.000 1.096 272 D CA 0.159 54.419 54.000 0.433 0.000 0.844 272 D CB 0.313 41.303 40.800 0.317 0.000 0.925 272 D HN 0.096 nan 8.370 nan 0.000 0.513 273 R N 0.846 121.609 120.500 0.438 0.000 2.832 273 R HA 0.714 5.055 4.340 0.001 0.000 0.271 273 R C 0.233 176.551 176.300 0.030 0.000 0.996 273 R CA -0.777 55.511 56.100 0.314 0.000 0.977 273 R CB 2.055 32.501 30.300 0.243 0.000 1.168 273 R HN 0.033 nan 8.270 nan 0.000 0.482 274 L N -1.296 119.827 121.223 -0.167 0.000 2.491 274 L HA 0.666 5.006 4.340 0.001 0.000 0.254 274 L C -1.586 175.199 176.870 -0.142 0.000 1.048 274 L CA -1.324 53.297 54.840 -0.365 0.000 0.855 274 L CB 2.090 43.470 42.059 -1.132 0.000 1.466 274 L HN 0.394 nan 8.230 nan 0.000 0.409 275 L N 1.905 123.069 121.223 -0.098 0.000 2.313 275 L HA 0.652 4.993 4.340 0.001 0.000 0.283 275 L C -0.967 175.880 176.870 -0.039 0.000 1.013 275 L CA -0.185 54.681 54.840 0.043 0.000 0.816 275 L CB 1.415 43.561 42.059 0.145 0.000 1.236 275 L HN 0.549 nan 8.230 nan 0.000 0.419 276 I N 4.738 125.312 120.570 0.006 0.000 2.404 276 I HA 0.689 4.859 4.170 0.001 0.000 0.293 276 I C -0.089 176.072 176.117 0.073 0.000 0.992 276 I CA -0.639 60.661 61.300 -0.000 0.000 1.149 276 I CB 1.818 39.811 38.000 -0.011 0.000 1.315 276 I HN 0.777 nan 8.210 nan 0.000 0.446 277 A N 4.264 127.123 122.820 0.064 0.000 2.350 277 A HA 0.880 5.200 4.320 0.001 0.000 0.324 277 A C -0.168 177.458 177.584 0.071 0.000 1.118 277 A CA -0.546 51.554 52.037 0.104 0.000 0.783 277 A CB 1.484 20.543 19.000 0.098 0.000 1.236 277 A HN 0.820 nan 8.150 nan 0.000 0.457 278 G N -0.260 108.600 108.800 0.100 0.000 2.452 278 G HA2 0.584 4.545 3.960 0.001 0.000 0.324 278 G HA3 0.584 4.545 3.960 0.001 0.000 0.324 278 G C -0.665 174.288 174.900 0.087 0.000 1.214 278 G CA -0.224 44.919 45.100 0.071 0.000 0.947 278 G HN 0.875 nan 8.290 nan 0.000 0.478 279 T N -0.145 114.442 114.554 0.053 0.000 2.906 279 T HA 0.321 4.671 4.350 0.001 0.000 0.295 279 T C 0.664 175.392 174.700 0.047 0.000 1.061 279 T CA -0.806 61.329 62.100 0.058 0.000 1.000 279 T CB 1.402 70.291 68.868 0.036 0.000 1.103 279 T HN 0.326 nan 8.240 nan 0.000 0.486 280 N N 1.374 120.109 118.700 0.058 0.000 2.446 280 N HA 0.014 4.755 4.740 0.001 0.000 0.179 280 N C 0.780 176.312 175.510 0.037 0.000 1.054 280 N CA 0.157 53.239 53.050 0.052 0.000 0.905 280 N CB 0.113 38.638 38.487 0.064 0.000 0.973 280 N HN 0.507 nan 8.380 nan 0.000 0.448 281 S N 0.618 116.338 115.700 0.033 0.000 2.560 281 S HA 0.061 4.532 4.470 0.001 0.000 0.284 281 S C 1.189 175.807 174.600 0.031 0.000 1.327 281 S CA -0.331 57.888 58.200 0.030 0.000 1.055 281 S CB 0.508 63.723 63.200 0.025 0.000 0.868 281 S HN 0.362 nan 8.310 nan 0.000 0.506 282 S N 2.075 117.801 115.700 0.043 0.000 2.554 282 S HA 0.208 4.679 4.470 0.001 0.000 0.226 282 S C -0.252 174.430 174.600 0.137 0.000 0.980 282 S CA -0.538 57.704 58.200 0.071 0.000 0.939 282 S CB -0.066 63.149 63.200 0.026 0.000 0.832 282 S HN 0.725 nan 8.310 nan 0.000 0.486 283 D N 1.435 121.891 120.400 0.094 0.000 2.313 283 D HA 0.347 4.988 4.640 0.001 0.000 0.239 283 D C 0.928 177.272 176.300 0.072 0.000 1.142 283 D CA -0.539 53.516 54.000 0.093 0.000 0.847 283 D CB 1.007 41.837 40.800 0.050 0.000 1.082 283 D HN 0.012 nan 8.370 nan 0.000 0.480 284 L N 3.805 125.092 121.223 0.106 0.000 2.043 284 L HA -0.208 4.132 4.340 0.001 0.000 0.212 284 L C 1.831 178.682 176.870 -0.031 0.000 1.075 284 L CA 1.837 56.669 54.840 -0.014 0.000 0.752 284 L CB -0.365 41.717 42.059 0.038 0.000 0.891 284 L HN 0.534 nan 8.230 nan 0.000 0.432 285 Q N -0.686 119.114 119.800 -0.001 0.000 2.124 285 Q HA -0.254 4.087 4.340 0.001 0.000 0.202 285 Q C 2.213 178.198 176.000 -0.025 0.000 0.977 285 Q CA 1.798 57.591 55.803 -0.017 0.000 0.850 285 Q CB -0.442 28.294 28.738 -0.003 0.000 0.901 285 Q HN 0.698 nan 8.270 nan 0.000 0.429 286 Q N 0.096 119.888 119.800 -0.013 0.000 2.083 286 Q HA -0.056 4.284 4.340 0.001 0.000 0.198 286 Q C 2.183 178.165 176.000 -0.030 0.000 0.969 286 Q CA 0.582 56.375 55.803 -0.017 0.000 0.838 286 Q CB 0.052 28.789 28.738 -0.002 0.000 0.900 286 Q HN 0.345 nan 8.270 nan 0.000 0.436 287 I N 0.686 121.236 120.570 -0.033 0.000 2.179 287 I HA -0.330 3.841 4.170 0.001 0.000 0.242 287 I C 2.125 178.201 176.117 -0.068 0.000 1.088 287 I CA 1.064 62.336 61.300 -0.047 0.000 1.357 287 I CB -0.159 37.806 38.000 -0.059 0.000 1.051 287 I HN 0.248 nan 8.210 nan 0.000 0.409 288 L N 0.217 121.387 121.223 -0.088 0.000 2.191 288 L HA -0.179 4.162 4.340 0.001 0.000 0.212 288 L C 2.733 179.550 176.870 -0.088 0.000 1.103 288 L CA 1.435 56.208 54.840 -0.113 0.000 0.769 288 L CB -0.761 41.222 42.059 -0.126 0.000 0.908 288 L HN 0.370 nan 8.230 nan 0.000 0.438 289 S N -0.148 115.511 115.700 -0.068 0.000 2.383 289 S HA -0.127 4.344 4.470 0.001 0.000 0.227 289 S C 1.923 176.483 174.600 -0.066 0.000 1.026 289 S CA 0.597 58.759 58.200 -0.063 0.000 0.981 289 S CB -0.415 62.755 63.200 -0.051 0.000 0.818 289 S HN 0.178 nan 8.310 nan 0.000 0.472 290 L N 1.483 122.668 121.223 -0.062 0.000 2.083 290 L HA 0.185 4.525 4.340 0.001 0.000 0.209 290 L C 2.225 179.056 176.870 -0.066 0.000 1.083 290 L CA 1.334 56.137 54.840 -0.062 0.000 0.752 290 L CB -1.103 40.928 42.059 -0.048 0.000 0.899 290 L HN 0.395 nan 8.230 nan 0.000 0.433 291 L N -1.083 120.096 121.223 -0.073 0.000 2.599 291 L HA -0.042 4.299 4.340 0.001 0.000 0.230 291 L C 2.241 179.065 176.870 -0.076 0.000 1.141 291 L CA -0.021 54.773 54.840 -0.077 0.000 0.877 291 L CB -0.272 41.725 42.059 -0.103 0.000 1.009 291 L HN 0.226 nan 8.230 nan 0.000 0.447 292 E N 0.756 120.910 120.200 -0.076 0.000 2.017 292 E HA -0.230 4.120 4.350 0.001 0.000 0.193 292 E C 2.066 178.627 176.600 -0.065 0.000 0.997 292 E CA 1.811 58.167 56.400 -0.072 0.000 0.804 292 E CB -0.178 29.480 29.700 -0.070 0.000 0.757 292 E HN 0.105 nan 8.360 nan 0.000 0.448 293 S N -0.461 115.197 115.700 -0.070 0.000 2.631 293 S HA 0.151 4.622 4.470 0.001 0.000 0.217 293 S C -0.284 174.279 174.600 -0.060 0.000 0.958 293 S CA -0.231 57.927 58.200 -0.070 0.000 0.920 293 S CB -0.378 62.767 63.200 -0.091 0.000 0.776 293 S HN 0.232 nan 8.310 nan 0.000 0.517 294 N N 1.323 119.992 118.700 -0.052 0.000 2.750 294 N HA 0.183 4.923 4.740 0.001 0.000 0.253 294 N C 0.090 175.587 175.510 -0.022 0.000 1.408 294 N CA -0.222 52.806 53.050 -0.036 0.000 0.780 294 N CB 1.216 39.678 38.487 -0.042 0.000 1.191 294 N HN 0.195 nan 8.380 nan 0.000 0.511 295 K N -0.029 120.364 120.400 -0.010 0.000 2.147 295 K HA -0.079 4.242 4.320 0.001 0.000 0.205 295 K C 0.584 177.203 176.600 0.032 0.000 1.049 295 K CA 0.984 57.273 56.287 0.003 0.000 0.936 295 K CB 0.317 32.824 32.500 0.011 0.000 0.722 295 K HN 0.225 nan 8.250 nan 0.000 0.446 296 D N 0.304 120.730 120.400 0.044 0.000 2.363 296 D HA 0.025 4.666 4.640 0.001 0.000 0.214 296 D C -0.603 175.732 176.300 0.058 0.000 1.093 296 D CA -0.130 53.919 54.000 0.081 0.000 0.837 296 D CB 0.328 41.183 40.800 0.092 0.000 0.948 296 D HN -0.038 nan 8.370 nan 0.000 0.507 297 L N 1.588 122.828 121.223 0.028 0.000 2.331 297 L HA 0.242 4.583 4.340 0.001 0.000 0.278 297 L C -0.399 176.475 176.870 0.006 0.000 1.106 297 L CA -0.143 54.699 54.840 0.005 0.000 0.824 297 L CB 0.774 42.834 42.059 0.001 0.000 1.142 297 L HN -0.131 nan 8.230 nan 0.000 0.443 298 L N 6.006 127.214 121.223 -0.024 0.000 2.305 298 L HA 0.328 4.669 4.340 0.001 0.000 0.281 298 L C -0.613 176.238 176.870 -0.032 0.000 1.085 298 L CA -0.500 54.328 54.840 -0.019 0.000 0.813 298 L CB 1.272 43.306 42.059 -0.043 0.000 1.157 298 L HN 0.526 nan 8.230 nan 0.000 0.436 299 L N 4.003 125.197 121.223 -0.048 0.000 2.381 299 L HA 0.494 4.835 4.340 0.001 0.000 0.274 299 L C 0.100 176.921 176.870 -0.083 0.000 0.988 299 L CA -0.003 54.810 54.840 -0.044 0.000 0.824 299 L CB 2.025 44.062 42.059 -0.036 0.000 1.263 299 L HN 0.637 nan 8.230 nan 0.000 0.410 300 T N 1.314 115.832 114.554 -0.061 0.000 2.902 300 T HA 0.906 5.257 4.350 0.001 0.000 0.283 300 T C 0.014 174.677 174.700 -0.062 0.000 1.009 300 T CA -0.032 62.020 62.100 -0.080 0.000 1.051 300 T CB 1.530 70.365 68.868 -0.055 0.000 0.999 300 T HN 0.868 nan 8.240 nan 0.000 0.474 301 S N 0.394 116.045 115.700 -0.082 0.000 2.727 301 S HA 0.509 4.979 4.470 0.001 0.000 0.278 301 S C 0.105 174.655 174.600 -0.083 0.000 1.186 301 S CA -0.871 57.294 58.200 -0.058 0.000 0.836 301 S CB 0.955 64.122 63.200 -0.056 0.000 1.186 301 S HN 0.554 nan 8.310 nan 0.000 0.499 302 S N 0.140 115.797 115.700 -0.073 0.000 2.614 302 S HA 0.179 4.650 4.470 0.001 0.000 0.230 302 S C 0.825 175.361 174.600 -0.106 0.000 0.952 302 S CA -0.355 57.750 58.200 -0.158 0.000 0.949 302 S CB -0.899 62.222 63.200 -0.131 0.000 0.786 302 S HN 0.584 nan 8.310 nan 0.000 0.478 303 Y N 2.211 122.405 120.300 -0.176 0.000 2.114 303 Y HA -0.176 4.374 4.550 0.000 0.000 0.282 303 Y C 1.576 177.392 175.900 -0.139 0.000 1.165 303 Y CA 1.588 59.596 58.100 -0.154 0.000 1.148 303 Y CB -0.093 38.236 38.460 -0.218 0.000 0.972 303 Y HN 0.240 nan 8.280 nan 0.000 0.504 304 L N -0.511 120.603 121.223 -0.182 0.000 2.492 304 L HA -0.083 4.258 4.340 0.001 0.000 0.223 304 L C 2.632 179.391 176.870 -0.184 0.000 1.132 304 L CA 0.829 55.551 54.840 -0.197 0.000 0.850 304 L CB -0.490 41.568 42.059 -0.002 0.000 0.966 304 L HN 0.297 nan 8.230 nan 0.000 0.454 305 S N 0.899 116.415 115.700 -0.306 0.000 2.351 305 S HA -0.304 4.167 4.470 0.001 0.000 0.220 305 S C 1.770 176.248 174.600 -0.204 0.000 1.035 305 S CA 2.027 59.944 58.200 -0.471 0.000 1.031 305 S CB -0.288 62.431 63.200 -0.801 0.000 0.928 305 S HN 0.598 nan 8.310 nan 0.000 0.433 306 D N 1.820 122.134 120.400 -0.143 0.000 2.612 306 D HA -0.209 4.432 4.640 0.001 0.000 0.191 306 D C 0.962 177.261 176.300 -0.001 0.000 1.061 306 D CA 1.782 55.748 54.000 -0.056 0.000 0.912 306 D CB -0.763 39.998 40.800 -0.066 0.000 0.891 306 D HN 0.559 nan 8.370 nan 0.000 0.463 307 S N -0.949 114.747 115.700 -0.007 0.000 2.686 307 S HA 0.428 4.899 4.470 0.001 0.000 0.324 307 S C 0.483 175.142 174.600 0.098 0.000 1.172 307 S CA -0.226 58.026 58.200 0.086 0.000 1.127 307 S CB 0.535 63.786 63.200 0.085 0.000 1.338 307 S HN 0.416 nan 8.310 nan 0.000 0.547 308 G N 2.296 111.144 108.800 0.080 0.000 4.487 308 G HA2 0.531 4.491 3.960 0.001 0.000 0.339 308 G HA3 0.531 4.491 3.960 0.001 0.000 0.339 308 G C -0.150 174.806 174.900 0.092 0.000 1.482 308 G CA -0.249 44.909 45.100 0.097 0.000 1.069 308 G HN 0.977 nan 8.290 nan 0.000 0.515 309 S N -0.760 115.013 115.700 0.120 0.000 2.819 309 S HA 0.784 5.255 4.470 0.001 0.000 0.299 309 S C 0.199 174.816 174.600 0.028 0.000 1.192 309 S CA -0.202 58.023 58.200 0.042 0.000 0.847 309 S CB 1.054 64.260 63.200 0.010 0.000 1.224 309 S HN 0.727 nan 8.310 nan 0.000 0.537 310 T N -1.668 112.872 114.554 -0.023 0.000 2.766 310 T HA 0.499 4.850 4.350 0.001 0.000 0.295 310 T C 1.515 176.065 174.700 -0.250 0.000 1.024 310 T CA 0.004 62.086 62.100 -0.030 0.000 1.018 310 T CB -0.020 68.843 68.868 -0.009 0.000 1.002 310 T HN 1.115 nan 8.240 nan 0.000 0.532 311 G N -0.052 108.661 108.800 -0.145 0.000 2.421 311 G HA2 -0.097 3.864 3.960 0.001 0.000 0.217 311 G HA3 -0.097 3.864 3.960 0.001 0.000 0.217 311 G C 1.409 176.165 174.900 -0.240 0.000 1.143 311 G CA 0.123 45.089 45.100 -0.222 0.000 0.784 311 G HN 0.765 nan 8.290 nan 0.000 0.541 312 E N 0.317 120.444 120.200 -0.122 0.000 2.106 312 E HA -0.123 4.228 4.350 0.001 0.000 0.192 312 E C 1.976 178.469 176.600 -0.178 0.000 0.984 312 E CA 0.726 57.054 56.400 -0.120 0.000 0.806 312 E CB -0.556 29.122 29.700 -0.038 0.000 0.750 312 E HN 0.635 nan 8.360 nan 0.000 0.458 313 H N 0.674 119.589 119.070 -0.257 0.000 2.357 313 H HA -0.027 4.530 4.556 0.001 0.000 0.301 313 H C 1.541 176.655 175.328 -0.357 0.000 1.082 313 H CA 1.725 57.620 56.048 -0.255 0.000 1.342 313 H CB 0.473 30.112 29.762 -0.206 0.000 1.389 313 H HN 0.054 nan 8.280 nan 0.000 0.511 314 T N 0.850 115.068 114.554 -0.561 0.000 2.788 314 T HA -0.129 4.222 4.350 0.001 0.000 0.268 314 T C 1.993 176.188 174.700 -0.841 0.000 1.044 314 T CA 1.405 63.095 62.100 -0.684 0.000 1.139 314 T CB -0.034 68.332 68.868 -0.836 0.000 0.867 314 T HN 0.350 nan 8.240 nan 0.000 0.454 315 K N 1.246 120.993 120.400 -1.088 0.000 2.032 315 K HA -0.153 4.168 4.320 0.001 0.000 0.209 315 K C 2.593 178.869 176.600 -0.541 0.000 1.048 315 K CA 1.825 57.362 56.287 -1.250 0.000 0.927 315 K CB -0.212 31.775 32.500 -0.855 0.000 0.712 315 K HN 0.444 nan 8.250 nan 0.000 0.441 316 S N 1.119 116.586 115.700 -0.388 0.000 2.368 316 S HA -0.145 4.326 4.470 0.001 0.000 0.225 316 S C 2.133 176.622 174.600 -0.186 0.000 1.030 316 S CA 1.095 59.165 58.200 -0.217 0.000 0.999 316 S CB -0.719 62.384 63.200 -0.163 0.000 0.844 316 S HN 0.306 nan 8.310 nan 0.000 0.459 317 L N 1.053 122.075 121.223 -0.335 0.000 1.989 317 L HA -0.103 4.237 4.340 0.001 0.000 0.211 317 L C 2.784 179.715 176.870 0.101 0.000 1.071 317 L CA 1.346 56.052 54.840 -0.224 0.000 0.749 317 L CB -0.850 40.859 42.059 -0.584 0.000 0.890 317 L HN 0.248 nan 8.230 nan 0.000 0.431 318 V N -0.118 119.775 119.914 -0.034 0.000 2.295 318 V HA -0.286 3.835 4.120 0.001 0.000 0.246 318 V C 2.742 178.939 176.094 0.173 0.000 1.049 318 V CA 2.425 64.783 62.300 0.096 0.000 1.024 318 V CB -0.920 30.805 31.823 -0.163 0.000 0.648 318 V HN 0.704 nan 8.190 nan 0.000 0.447 319 T N -2.442 112.167 114.554 0.091 0.000 2.812 319 T HA -0.218 4.133 4.350 0.001 0.000 0.264 319 T C 1.818 176.589 174.700 0.117 0.000 1.042 319 T CA 1.291 63.475 62.100 0.139 0.000 1.140 319 T CB -0.375 68.577 68.868 0.139 0.000 0.870 319 T HN 0.476 nan 8.240 nan 0.000 0.445 320 Q N -0.308 119.557 119.800 0.109 0.000 2.077 320 Q HA -0.177 4.164 4.340 0.001 0.000 0.206 320 Q C 2.082 178.144 176.000 0.104 0.000 0.989 320 Q CA 2.028 57.893 55.803 0.104 0.000 0.853 320 Q CB -0.395 28.424 28.738 0.135 0.000 0.907 320 Q HN 0.688 nan 8.270 nan 0.000 0.418 321 Y N 0.947 121.273 120.300 0.044 0.000 2.133 321 Y HA -0.202 4.348 4.550 0.001 0.000 0.287 321 Y C 1.968 177.813 175.900 -0.093 0.000 1.134 321 Y CA 1.339 59.386 58.100 -0.088 0.000 1.133 321 Y CB -0.256 38.166 38.460 -0.064 0.000 0.987 321 Y HN 0.012 nan 8.280 nan 0.000 0.502 322 L N 0.054 121.318 121.223 0.068 0.000 2.042 322 L HA -0.296 4.045 4.340 0.001 0.000 0.210 322 L C 2.037 178.856 176.870 -0.085 0.000 1.076 322 L CA 1.580 56.399 54.840 -0.035 0.000 0.749 322 L CB -0.670 41.403 42.059 0.023 0.000 0.893 322 L HN 0.258 nan 8.230 nan 0.000 0.432 323 N N 0.186 118.866 118.700 -0.035 0.000 2.166 323 N HA -0.134 4.607 4.740 0.001 0.000 0.186 323 N C 1.813 177.268 175.510 -0.091 0.000 1.019 323 N CA 1.459 54.487 53.050 -0.036 0.000 0.856 323 N CB -0.366 38.122 38.487 0.002 0.000 0.993 323 N HN 0.318 nan 8.380 nan 0.000 0.426 324 A N 0.089 122.819 122.820 -0.150 0.000 2.014 324 A HA -0.063 4.257 4.320 0.001 0.000 0.218 324 A C 2.049 179.489 177.584 -0.241 0.000 1.163 324 A CA 1.808 53.732 52.037 -0.187 0.000 0.652 324 A CB -0.721 18.145 19.000 -0.224 0.000 0.808 324 A HN 0.467 nan 8.150 nan 0.000 0.449 325 T N -4.131 110.228 114.554 -0.325 0.000 3.086 325 T HA 0.442 4.793 4.350 0.001 0.000 0.250 325 T C 1.358 175.947 174.700 -0.185 0.000 1.074 325 T CA 1.056 62.961 62.100 -0.325 0.000 0.988 325 T CB -0.179 68.371 68.868 -0.530 0.000 0.988 325 T HN 1.664 nan 8.240 nan 0.000 0.530 326 G N 2.737 111.458 108.800 -0.132 0.000 2.556 326 G HA2 -0.329 3.631 3.960 0.001 0.000 0.283 326 G HA3 -0.329 3.631 3.960 0.001 0.000 0.283 326 G C 0.432 175.302 174.900 -0.051 0.000 1.177 326 G CA 0.166 45.224 45.100 -0.070 0.000 0.978 326 G HN 0.448 nan 8.290 nan 0.000 0.554 327 N N 1.893 120.581 118.700 -0.020 0.000 2.270 327 N HA 0.058 4.799 4.740 0.001 0.000 0.198 327 N C 1.264 176.789 175.510 0.025 0.000 1.117 327 N CA 0.747 53.804 53.050 0.012 0.000 0.845 327 N CB 0.126 38.635 38.487 0.037 0.000 0.980 327 N HN 0.827 nan 8.380 nan 0.000 0.486 328 R N -0.157 120.339 120.500 -0.006 0.000 2.679 328 R HA 0.070 4.410 4.340 0.001 0.000 0.269 328 R C -0.176 176.154 176.300 0.050 0.000 1.076 328 R CA -0.433 55.688 56.100 0.033 0.000 1.160 328 R CB 0.834 31.128 30.300 -0.009 0.000 1.054 328 R HN 0.062 nan 8.270 nan 0.000 0.507 329 W N 3.948 125.209 121.300 -0.065 0.000 2.345 329 W HA 0.277 4.934 4.660 -0.005 0.000 0.308 329 W C -1.156 175.318 176.519 -0.075 0.000 1.273 329 W CA -0.978 56.319 57.345 -0.080 0.000 1.243 329 W CB 0.924 30.315 29.460 -0.116 0.000 1.260 329 W HN 0.528 nan 8.180 nan 0.000 0.509 330 C N 4.028 123.007 119.300 -0.535 0.000 2.335 330 C HA 0.526 4.987 4.460 0.001 0.000 0.363 330 C C 0.849 175.512 174.990 -0.545 0.000 1.198 330 C CA -0.262 58.459 59.018 -0.495 0.000 2.279 330 C CB 1.280 28.616 27.740 -0.673 0.000 2.334 330 C HN 0.640 nan 8.230 nan 0.000 0.559 331 S N -0.008 115.399 115.700 -0.489 0.000 2.651 331 S HA 0.725 5.196 4.470 0.001 0.000 0.291 331 S C -1.560 172.568 174.600 -0.786 0.000 1.141 331 S CA -0.514 57.439 58.200 -0.412 0.000 1.027 331 S CB 0.640 63.726 63.200 -0.191 0.000 1.043 331 S HN 0.780 nan 8.310 nan 0.000 0.530 332 W N 1.187 122.365 121.300 -0.204 0.000 2.619 332 W HA 0.619 5.280 4.660 0.002 0.000 0.327 332 W C -0.162 176.193 176.519 -0.272 0.000 1.027 332 W CA -0.318 56.881 57.345 -0.243 0.000 1.233 332 W CB 2.120 31.431 29.460 -0.248 0.000 1.370 332 W HN 1.059 nan 8.180 nan 0.000 0.453 333 S N 1.247 116.938 115.700 -0.015 0.000 2.625 333 S HA 0.524 4.995 4.470 0.001 0.000 0.271 333 S C -0.476 174.086 174.600 -0.064 0.000 1.161 333 S CA -0.967 57.171 58.200 -0.105 0.000 0.820 333 S CB 1.395 64.518 63.200 -0.128 0.000 1.137 333 S HN 0.465 nan 8.310 nan 0.000 0.470 334 L N 1.085 122.256 121.223 -0.087 0.000 2.554 334 L HA 0.312 4.653 4.340 0.001 0.000 0.225 334 L C 0.671 177.318 176.870 -0.371 0.000 1.104 334 L CA 0.528 55.240 54.840 -0.212 0.000 0.866 334 L CB -0.028 41.922 42.059 -0.181 0.000 1.047 334 L HN 0.979 nan 8.230 nan 0.000 0.468 335 S N -2.379 113.231 115.700 -0.150 0.000 2.611 335 S HA 0.143 4.614 4.470 0.001 0.000 0.268 335 S C 0.042 174.632 174.600 -0.017 0.000 1.156 335 S CA -0.726 57.432 58.200 -0.071 0.000 0.817 335 S CB 1.511 64.803 63.200 0.154 0.000 1.122 335 S HN 0.195 nan 8.310 nan 0.000 0.466 336 Q N -0.018 119.789 119.800 0.011 0.000 2.435 336 Q HA 0.460 4.801 4.340 0.001 0.000 0.207 336 Q C 1.060 177.074 176.000 0.024 0.000 0.956 336 Q CA 0.866 56.678 55.803 0.016 0.000 0.917 336 Q CB -0.011 28.747 28.738 0.033 0.000 0.997 336 Q HN 0.939 nan 8.270 nan 0.000 0.497 337 A N 0.227 123.071 122.820 0.041 0.000 1.570 337 A HA 0.235 4.555 4.320 0.001 0.000 0.212 337 A C 0.319 177.913 177.584 0.017 0.000 1.855 337 A CA -0.502 51.547 52.037 0.020 0.000 1.415 337 A CB 0.259 19.271 19.000 0.020 0.000 1.376 337 A HN 0.108 nan 8.150 nan 0.000 0.370 338 R N 0.493 121.042 120.500 0.081 0.000 2.694 338 R HA 0.411 4.752 4.340 0.001 0.000 0.268 338 R C -0.534 175.800 176.300 0.057 0.000 1.061 338 R CA -0.226 55.902 56.100 0.046 0.000 1.133 338 R CB 0.272 30.611 30.300 0.065 0.000 1.020 338 R HN 0.411 nan 8.270 nan 0.000 0.475 339 L N 2.984 124.157 121.223 -0.083 0.000 2.506 339 L HA -0.131 4.210 4.340 0.001 0.000 0.281 339 L C 1.920 178.799 176.870 0.014 0.000 1.228 339 L CA 0.112 54.907 54.840 -0.075 0.000 0.850 339 L CB 0.238 42.199 42.059 -0.163 0.000 1.110 339 L HN 0.636 nan 8.230 nan 0.000 0.496 340 L N 1.273 122.559 121.223 0.106 0.000 2.079 340 L HA -0.222 4.119 4.340 0.001 0.000 0.210 340 L C 2.547 179.443 176.870 0.043 0.000 1.081 340 L CA 1.884 56.827 54.840 0.171 0.000 0.752 340 L CB -0.807 41.356 42.059 0.173 0.000 0.896 340 L HN 0.940 nan 8.230 nan 0.000 0.433 341 T N -4.704 109.819 114.554 -0.050 0.000 3.025 341 T HA -0.116 4.235 4.350 0.001 0.000 0.270 341 T C 1.883 176.448 174.700 -0.225 0.000 1.126 341 T CA 1.181 63.214 62.100 -0.111 0.000 1.105 341 T CB -0.229 68.576 68.868 -0.104 0.000 0.884 341 T HN 0.156 nan 8.240 nan 0.000 0.522 342 S N 0.666 116.119 115.700 -0.413 0.000 2.423 342 S HA 0.127 4.598 4.470 0.001 0.000 0.231 342 S C 1.055 175.189 174.600 -0.777 0.000 1.014 342 S CA 0.952 58.718 58.200 -0.722 0.000 0.965 342 S CB -0.355 62.133 63.200 -1.188 0.000 0.785 342 S HN 0.734 nan 8.310 nan 0.000 0.495 343 F N -0.225 119.679 119.950 -0.077 0.000 2.619 343 F HA 0.426 4.953 4.527 -0.000 0.000 0.281 343 F C 0.379 176.110 175.800 -0.115 0.000 1.065 343 F CA -0.314 57.632 58.000 -0.089 0.000 1.304 343 F CB 0.280 39.219 39.000 -0.103 0.000 1.059 343 F HN -0.083 nan 8.300 nan 0.000 0.648 344 L N 2.653 123.886 121.223 0.016 0.000 2.317 344 L HA 0.446 4.787 4.340 0.001 0.000 0.281 344 L C -2.248 174.588 176.870 -0.056 0.000 1.024 344 L CA -2.157 52.644 54.840 -0.065 0.000 0.810 344 L CB 1.117 43.079 42.059 -0.161 0.000 1.240 344 L HN -0.247 nan 8.230 nan 0.000 0.427 345 P HA 0.068 nan 4.420 nan 0.000 0.272 345 P C 0.274 177.537 177.300 -0.061 0.000 1.230 345 P CA -0.347 62.721 63.100 -0.054 0.000 0.788 345 P CB 1.009 32.678 31.700 -0.052 0.000 0.949 346 A N 2.309 125.093 122.820 -0.059 0.000 1.948 346 A HA -0.277 4.043 4.320 0.001 0.000 0.220 346 A C 2.047 179.593 177.584 -0.063 0.000 1.177 346 A CA 2.033 54.040 52.037 -0.049 0.000 0.636 346 A CB -1.339 17.635 19.000 -0.043 0.000 0.815 346 A HN 0.668 nan 8.150 nan 0.000 0.449 347 Q N -0.471 119.253 119.800 -0.126 0.000 2.364 347 Q HA 0.048 4.389 4.340 0.001 0.000 0.209 347 Q C 1.466 177.342 176.000 -0.206 0.000 0.977 347 Q CA 1.185 56.846 55.803 -0.236 0.000 0.885 347 Q CB -0.279 28.147 28.738 -0.519 0.000 0.941 347 Q HN 0.668 nan 8.270 nan 0.000 0.464 348 L N -0.639 120.531 121.223 -0.087 0.000 2.664 348 L HA 0.142 4.483 4.340 0.001 0.000 0.233 348 L C 1.480 178.446 176.870 0.160 0.000 1.113 348 L CA -0.098 54.782 54.840 0.066 0.000 0.896 348 L CB 0.144 42.287 42.059 0.139 0.000 1.163 348 L HN 0.217 nan 8.230 nan 0.000 0.497 349 L N -0.241 121.034 121.223 0.088 0.000 2.042 349 L HA -0.207 4.134 4.340 0.001 0.000 0.210 349 L C 2.698 179.679 176.870 0.185 0.000 1.076 349 L CA 1.566 56.484 54.840 0.130 0.000 0.749 349 L CB -0.424 41.681 42.059 0.078 0.000 0.893 349 L HN 0.250 nan 8.230 nan 0.000 0.432 350 R N -0.498 120.080 120.500 0.130 0.000 2.081 350 R HA -0.169 4.172 4.340 0.001 0.000 0.235 350 R C 2.240 178.613 176.300 0.122 0.000 1.131 350 R CA 1.156 57.329 56.100 0.121 0.000 0.960 350 R CB -0.536 29.808 30.300 0.074 0.000 0.856 350 R HN 0.158 nan 8.270 nan 0.000 0.436 351 L N -0.152 121.129 121.223 0.096 0.000 2.042 351 L HA -0.197 4.144 4.340 0.001 0.000 0.210 351 L C 1.829 178.716 176.870 0.028 0.000 1.076 351 L CA 1.754 56.588 54.840 -0.010 0.000 0.749 351 L CB -0.392 41.582 42.059 -0.141 0.000 0.893 351 L HN 0.129 nan 8.230 nan 0.000 0.432 352 Y N -0.792 119.552 120.300 0.074 0.000 2.314 352 Y HA -0.208 4.342 4.550 0.001 0.000 0.293 352 Y C 2.662 178.681 175.900 0.198 0.000 1.129 352 Y CA 1.351 59.539 58.100 0.148 0.000 1.201 352 Y CB -0.112 38.454 38.460 0.177 0.000 0.999 352 Y HN 0.294 nan 8.280 nan 0.000 0.541 353 Q N -0.304 119.719 119.800 0.373 0.000 2.050 353 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 353 Q C 1.052 177.274 176.000 0.371 0.000 0.980 353 Q CA 0.714 56.770 55.803 0.423 0.000 0.840 353 Q CB -0.396 28.568 28.738 0.377 0.000 0.898 353 Q HN 0.292 nan 8.270 nan 0.000 0.424 357 F N 1.396 121.382 119.950 0.060 0.000 2.780 357 F HA -0.012 4.536 4.527 0.035 0.000 0.299 357 F C 2.095 177.882 175.800 -0.021 0.000 1.146 357 F CA 1.562 59.578 58.000 0.026 0.000 1.428 357 F CB 0.409 39.394 39.000 -0.024 0.000 1.115 357 F HN 0.158 nan 8.300 nan 0.000 0.583 358 T N -3.398 111.236 114.554 0.135 0.000 3.043 358 T HA 0.309 4.660 4.350 0.001 0.000 0.272 358 T C 0.381 175.143 174.700 0.102 0.000 0.990 358 T CA -0.106 62.072 62.100 0.131 0.000 0.897 358 T CB -0.298 68.671 68.868 0.168 0.000 1.111 358 T HN -0.093 nan 8.240 nan 0.000 0.529 359 L N 2.944 124.067 121.223 -0.166 0.000 2.418 359 L HA 0.430 4.770 4.340 0.001 0.000 0.265 359 L C -2.124 174.562 176.870 -0.306 0.000 1.143 359 L CA -2.566 51.960 54.840 -0.523 0.000 0.809 359 L CB 0.645 41.924 42.059 -1.300 0.000 1.124 359 L HN -0.006 nan 8.230 nan 0.000 0.456 360 P HA 0.246 nan 4.420 nan 0.000 0.275 360 P C -0.124 177.017 177.300 -0.265 0.000 1.276 360 P CA 0.319 63.305 63.100 -0.190 0.000 0.782 360 P CB 0.863 32.463 31.700 -0.167 0.000 0.851 361 G N 2.350 110.733 108.800 -0.694 0.000 2.347 361 G HA2 0.009 3.970 3.960 0.001 0.000 0.341 361 G HA3 0.009 3.970 3.960 0.001 0.000 0.341 361 G C -1.281 173.526 174.900 -0.156 0.000 1.287 361 G CA -0.830 43.644 45.100 -1.043 0.000 0.984 361 G HN 0.385 nan 8.290 nan 0.000 0.526 362 T N 3.660 118.271 114.554 0.094 0.000 2.743 362 T HA 0.624 4.975 4.350 0.001 0.000 0.293 362 T C -2.259 172.518 174.700 0.129 0.000 0.945 362 T CA -0.590 61.710 62.100 0.333 0.000 1.030 362 T CB 1.695 70.875 68.868 0.520 0.000 0.912 362 T HN 0.512 nan 8.240 nan 0.000 0.483 363 P HA 0.420 nan 4.420 nan 0.000 0.284 363 P C -1.109 176.053 177.300 -0.230 0.000 1.253 363 P CA -0.501 62.488 63.100 -0.186 0.000 0.800 363 P CB 0.969 32.423 31.700 -0.410 0.000 0.961 364 V N 3.948 123.625 119.914 -0.395 0.000 2.531 364 V HA 0.470 4.591 4.120 0.001 0.000 0.301 364 V C -0.272 175.565 176.094 -0.429 0.000 1.034 364 V CA -0.294 61.861 62.300 -0.241 0.000 0.865 364 V CB 1.002 32.766 31.823 -0.099 0.000 0.995 364 V HN 0.416 nan 8.190 nan 0.000 0.424 365 F N 1.023 121.012 119.950 0.065 0.000 2.598 365 F HA 0.700 5.227 4.527 0.001 0.000 0.327 365 F C 0.630 176.367 175.800 -0.105 0.000 1.057 365 F CA -0.594 57.429 58.000 0.039 0.000 0.957 365 F CB 2.411 41.519 39.000 0.180 0.000 1.278 365 F HN 0.360 nan 8.300 nan 0.000 0.484 366 S N -0.158 115.561 115.700 0.031 0.000 2.578 366 S HA 0.357 4.828 4.470 0.001 0.000 0.301 366 S C -1.353 172.973 174.600 -0.456 0.000 1.091 366 S CA -0.712 57.348 58.200 -0.234 0.000 1.032 366 S CB 0.976 64.053 63.200 -0.204 0.000 1.064 366 S HN 0.465 nan 8.310 nan 0.000 0.508 367 Y N 0.666 120.585 120.300 -0.635 0.000 2.810 367 Y HA 0.390 4.940 4.550 -0.000 0.000 0.332 367 Y C 1.187 177.003 175.900 -0.140 0.000 1.243 367 Y CA 0.425 58.203 58.100 -0.537 0.000 1.537 367 Y CB -0.423 37.913 38.460 -0.207 0.000 1.265 367 Y HN 0.908 nan 8.280 nan 0.000 0.572 368 G N 2.684 111.531 108.800 0.078 0.000 2.254 368 G HA2 -0.338 3.622 3.960 0.001 0.000 0.225 368 G HA3 -0.338 3.622 3.960 0.001 0.000 0.225 368 G C 0.786 175.632 174.900 -0.091 0.000 1.003 368 G CA 0.259 45.343 45.100 -0.027 0.000 0.622 368 G HN 0.611 nan 8.290 nan 0.000 0.507 369 D N 1.343 121.679 120.400 -0.106 0.000 2.149 369 D HA -0.079 4.562 4.640 0.001 0.000 0.198 369 D C 2.479 178.709 176.300 -0.118 0.000 0.990 369 D CA 1.497 55.471 54.000 -0.044 0.000 0.839 369 D CB -0.130 40.742 40.800 0.119 0.000 0.948 369 D HN 0.749 nan 8.370 nan 0.000 0.460 370 E N 1.208 121.207 120.200 -0.335 0.000 2.268 370 E HA -0.155 4.196 4.350 0.001 0.000 0.195 370 E C 1.930 178.434 176.600 -0.160 0.000 0.995 370 E CA 0.667 56.753 56.400 -0.524 0.000 0.836 370 E CB -0.443 28.589 29.700 -1.114 0.000 0.763 370 E HN 0.525 nan 8.360 nan 0.000 0.491 371 I N -4.026 116.486 120.570 -0.096 0.000 4.025 371 I HA 0.522 4.693 4.170 0.001 0.000 0.336 371 I C 1.050 177.141 176.117 -0.043 0.000 1.390 371 I CA 0.001 61.269 61.300 -0.053 0.000 1.099 371 I CB 0.633 38.591 38.000 -0.070 0.000 1.049 371 I HN 0.013 nan 8.210 nan 0.000 0.394 372 G N 2.523 111.302 108.800 -0.034 0.000 2.221 372 G HA2 -0.292 3.669 3.960 0.001 0.000 0.265 372 G HA3 -0.292 3.669 3.960 0.001 0.000 0.265 372 G C -0.089 174.776 174.900 -0.058 0.000 1.041 372 G CA 0.253 45.337 45.100 -0.027 0.000 0.807 372 G HN 0.438 nan 8.290 nan 0.000 0.502 373 L N 0.891 122.067 121.223 -0.077 0.000 2.559 373 L HA 0.467 4.808 4.340 0.001 0.000 0.274 373 L C 0.106 176.912 176.870 -0.107 0.000 1.205 373 L CA 0.260 55.041 54.840 -0.098 0.000 0.907 373 L CB 0.853 42.847 42.059 -0.108 0.000 1.153 373 L HN 0.261 nan 8.230 nan 0.000 0.490 374 D N 3.629 123.964 120.400 -0.110 0.000 2.549 374 D HA 0.401 5.042 4.640 0.001 0.000 0.251 374 D C 0.569 176.798 176.300 -0.120 0.000 1.153 374 D CA 0.113 54.045 54.000 -0.114 0.000 0.861 374 D CB 1.996 42.736 40.800 -0.101 0.000 1.207 374 D HN 0.646 nan 8.370 nan 0.000 0.543 375 A N 3.337 126.085 122.820 -0.120 0.000 1.972 375 A HA 0.009 4.330 4.320 0.001 0.000 0.219 375 A C 1.762 179.288 177.584 -0.096 0.000 1.169 375 A CA 1.726 53.703 52.037 -0.100 0.000 0.635 375 A CB -0.231 18.711 19.000 -0.096 0.000 0.810 375 A HN 0.589 nan 8.150 nan 0.000 0.446 376 A N -0.987 121.773 122.820 -0.100 0.000 2.278 376 A HA 0.555 4.876 4.320 0.001 0.000 0.212 376 A C 1.803 179.330 177.584 -0.096 0.000 1.213 376 A CA 0.869 52.854 52.037 -0.088 0.000 0.840 376 A CB -0.538 18.413 19.000 -0.082 0.000 0.866 376 A HN 0.861 nan 8.150 nan 0.000 0.489 377 A N -1.186 121.563 122.820 -0.118 0.000 2.238 377 A HA 0.496 4.817 4.320 0.001 0.000 0.208 377 A C 0.237 177.724 177.584 -0.162 0.000 1.177 377 A CA 0.515 52.476 52.037 -0.126 0.000 0.804 377 A CB -0.034 18.890 19.000 -0.128 0.000 0.823 377 A HN 0.449 nan 8.150 nan 0.000 0.482 378 L N -0.075 121.032 121.223 -0.192 0.000 2.562 378 L HA 0.464 4.804 4.340 0.001 0.000 0.266 378 L C -2.890 173.883 176.870 -0.162 0.000 0.949 378 L CA -2.145 52.524 54.840 -0.285 0.000 0.879 378 L CB 1.981 43.679 42.059 -0.601 0.000 1.278 378 L HN -0.138 nan 8.230 nan 0.000 0.404 379 P HA 0.379 nan 4.420 nan 0.000 0.268 379 P C -0.120 177.240 177.300 0.100 0.000 1.204 379 P CA 0.351 63.460 63.100 0.014 0.000 0.768 379 P CB 0.603 32.323 31.700 0.033 0.000 0.842 380 G N 1.935 110.785 108.800 0.083 0.000 2.684 380 G HA2 -0.141 3.820 3.960 0.001 0.000 0.229 380 G HA3 -0.141 3.820 3.960 0.001 0.000 0.229 380 G C -0.622 174.383 174.900 0.175 0.000 0.927 380 G CA -0.294 44.873 45.100 0.111 0.000 1.147 380 G HN 0.729 nan 8.290 nan 0.000 0.402 381 Q N 1.681 121.550 119.800 0.115 0.000 2.676 381 Q HA 0.275 4.616 4.340 0.001 0.000 0.223 381 Q C -2.436 173.604 176.000 0.066 0.000 0.807 381 Q CA -1.092 54.793 55.803 0.136 0.000 1.097 381 Q CB 1.554 30.378 28.738 0.144 0.000 1.602 381 Q HN 0.430 nan 8.270 nan 0.000 0.514 385 A N 2.300 125.151 122.820 0.053 0.000 2.763 385 A HA 0.547 4.868 4.320 0.001 0.000 0.325 385 A C -2.758 174.918 177.584 0.153 0.000 1.209 385 A CA -1.270 50.845 52.037 0.131 0.000 0.764 385 A CB 0.853 19.957 19.000 0.174 0.000 1.120 385 A HN 0.137 nan 8.150 nan 0.000 0.463 386 P HA 0.325 nan 4.420 nan 0.000 0.274 386 P C 0.410 177.852 177.300 0.236 0.000 1.231 386 P CA 0.012 63.181 63.100 0.116 0.000 0.790 386 P CB 1.119 32.822 31.700 0.004 0.000 0.951 390 W N 1.148 122.388 121.300 -0.101 0.000 2.379 390 W HA -0.086 4.573 4.660 -0.002 0.000 0.307 390 W C 1.100 177.559 176.519 -0.099 0.000 1.200 390 W CA 1.421 58.671 57.345 -0.158 0.000 1.297 390 W CB 0.131 29.473 29.460 -0.197 0.000 1.140 390 W HN 0.618 nan 8.180 nan 0.000 0.507 391 D N -3.554 116.938 120.400 0.153 0.000 2.825 391 D HA 0.064 4.705 4.640 0.001 0.000 0.327 391 D C 0.237 176.579 176.300 0.069 0.000 1.277 391 D CA -0.671 53.380 54.000 0.085 0.000 0.950 391 D CB 0.198 41.047 40.800 0.081 0.000 1.438 391 D HN -0.054 nan 8.370 nan 0.000 0.526 392 E N -0.698 119.534 120.200 0.053 0.000 2.418 392 E HA -0.036 4.315 4.350 0.001 0.000 0.197 392 E C 1.039 177.682 176.600 0.070 0.000 1.026 392 E CA 1.004 57.435 56.400 0.052 0.000 0.862 392 E CB -0.037 29.684 29.700 0.036 0.000 0.799 392 E HN 0.446 nan 8.360 nan 0.000 0.518 393 S N -0.573 115.170 115.700 0.071 0.000 2.593 393 S HA 0.088 4.558 4.470 0.001 0.000 0.217 393 S C 1.622 176.281 174.600 0.099 0.000 0.966 393 S CA -0.108 58.135 58.200 0.072 0.000 0.914 393 S CB 0.365 63.594 63.200 0.048 0.000 0.776 393 S HN -0.063 nan 8.310 nan 0.000 0.523 394 S N 0.692 116.471 115.700 0.132 0.000 2.561 394 S HA 0.278 4.749 4.470 0.001 0.000 0.225 394 S C -0.139 174.592 174.600 0.218 0.000 0.977 394 S CA 0.056 58.357 58.200 0.169 0.000 0.926 394 S CB -0.327 62.979 63.200 0.176 0.000 0.769 394 S HN 0.658 nan 8.310 nan 0.000 0.533 395 F N 2.957 122.927 119.950 0.034 0.000 2.531 395 F HA 0.371 4.899 4.527 0.001 0.000 0.333 395 F C -2.233 173.588 175.800 0.035 0.000 1.292 395 F CA -2.307 55.710 58.000 0.029 0.000 1.184 395 F CB 1.407 40.414 39.000 0.013 0.000 1.426 395 F HN -0.045 nan 8.300 nan 0.000 0.559 396 P HA -0.048 nan 4.420 nan 0.000 0.237 396 P C 0.796 178.034 177.300 -0.103 0.000 1.178 396 P CA 0.856 63.927 63.100 -0.047 0.000 0.766 396 P CB 0.380 32.070 31.700 -0.017 0.000 0.876 397 D N 0.416 120.636 120.400 -0.299 0.000 2.178 397 D HA -0.011 4.629 4.640 0.001 0.000 0.202 397 D C 0.900 177.187 176.300 -0.023 0.000 0.974 397 D CA 1.073 54.946 54.000 -0.213 0.000 0.841 397 D CB 0.109 40.682 40.800 -0.379 0.000 0.953 397 D HN 0.321 nan 8.370 nan 0.000 0.478 398 I N 1.922 122.563 120.570 0.119 0.000 2.555 398 I HA 0.204 4.375 4.170 0.001 0.000 0.275 398 I C -2.532 173.690 176.117 0.175 0.000 1.082 398 I CA -1.933 59.479 61.300 0.187 0.000 1.167 398 I CB 1.916 40.073 38.000 0.261 0.000 1.312 398 I HN -0.318 nan 8.210 nan 0.000 0.493 399 P HA 0.298 nan 4.420 nan 0.000 0.282 399 P C 0.902 178.243 177.300 0.069 0.000 1.262 399 P CA 0.316 63.465 63.100 0.081 0.000 0.773 399 P CB 1.339 33.066 31.700 0.046 0.000 0.879 400 G N 2.648 111.490 108.800 0.070 0.000 2.284 400 G HA2 -0.215 3.746 3.960 0.001 0.000 0.201 400 G HA3 -0.215 3.746 3.960 0.001 0.000 0.201 400 G C 1.027 175.952 174.900 0.041 0.000 0.998 400 G CA 0.297 45.425 45.100 0.047 0.000 0.651 400 G HN 0.636 nan 8.290 nan 0.000 0.489 401 A N 0.060 122.914 122.820 0.057 0.000 1.970 401 A HA 0.583 4.904 4.320 0.001 0.000 0.216 401 A C 1.330 178.905 177.584 -0.014 0.000 1.170 401 A CA 1.576 53.625 52.037 0.020 0.000 0.645 401 A CB -0.027 18.985 19.000 0.021 0.000 0.816 401 A HN 1.031 nan 8.150 nan 0.000 0.447 402 V N 2.186 122.103 119.914 0.006 0.000 2.488 402 V HA 0.352 4.473 4.120 0.001 0.000 0.277 402 V C 0.552 176.642 176.094 -0.006 0.000 1.046 402 V CA 0.096 62.385 62.300 -0.019 0.000 0.986 402 V CB 0.839 32.668 31.823 0.010 0.000 0.989 402 V HN 0.545 nan 8.190 nan 0.000 0.475 403 S N 3.935 119.622 115.700 -0.021 0.000 2.638 403 S HA 0.689 5.160 4.470 0.001 0.000 0.298 403 S C 1.137 175.731 174.600 -0.010 0.000 1.111 403 S CA -0.131 58.062 58.200 -0.011 0.000 1.027 403 S CB 1.900 65.090 63.200 -0.016 0.000 1.064 403 S HN 0.931 nan 8.310 nan 0.000 0.525 404 A N 1.938 124.757 122.820 -0.002 0.000 1.940 404 A HA -0.084 4.236 4.320 0.001 0.000 0.219 404 A C 1.041 178.623 177.584 -0.004 0.000 1.176 404 A CA 1.699 53.737 52.037 0.002 0.000 0.631 404 A CB -1.751 17.253 19.000 0.007 0.000 0.814 404 A HN 1.016 nan 8.150 nan 0.000 0.446 408 V N 1.708 121.573 119.914 -0.083 0.000 2.287 408 V HA -0.137 3.984 4.120 0.001 0.000 0.248 408 V C 2.873 178.993 176.094 0.044 0.000 1.053 408 V CA 2.482 64.764 62.300 -0.030 0.000 1.027 408 V CB -0.787 30.969 31.823 -0.112 0.000 0.646 408 V HN 1.026 nan 8.190 nan 0.000 0.447 409 K N 0.149 120.578 120.400 0.049 0.000 2.026 409 K HA -0.148 4.173 4.320 0.001 0.000 0.208 409 K C 2.167 178.792 176.600 0.042 0.000 1.048 409 K CA 1.777 58.098 56.287 0.057 0.000 0.929 409 K CB -0.631 31.901 32.500 0.054 0.000 0.713 409 K HN 0.474 nan 8.250 nan 0.000 0.439 410 G N 0.633 109.449 108.800 0.027 0.000 2.402 410 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 410 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 410 G C 1.332 176.247 174.900 0.024 0.000 1.162 410 G CA 0.526 45.639 45.100 0.021 0.000 0.777 410 G HN 0.409 nan 8.290 nan 0.000 0.539 411 Q N 0.432 120.246 119.800 0.024 0.000 2.167 411 Q HA -0.044 4.297 4.340 0.001 0.000 0.202 411 Q C 2.941 178.970 176.000 0.048 0.000 0.970 411 Q CA 1.258 57.080 55.803 0.031 0.000 0.855 411 Q CB -0.092 28.661 28.738 0.025 0.000 0.911 411 Q HN 0.434 nan 8.270 nan 0.000 0.438 412 S N 1.537 117.275 115.700 0.063 0.000 2.399 412 S HA -0.171 4.300 4.470 0.001 0.000 0.231 412 S C 1.657 176.290 174.600 0.054 0.000 1.022 412 S CA 1.536 59.781 58.200 0.075 0.000 0.983 412 S CB -0.190 63.068 63.200 0.096 0.000 0.803 412 S HN 0.546 nan 8.310 nan 0.000 0.480 413 E N 0.912 121.138 120.200 0.044 0.000 2.478 413 E HA 0.037 4.387 4.350 0.001 0.000 0.194 413 E C -0.180 176.437 176.600 0.028 0.000 1.045 413 E CA 0.219 56.639 56.400 0.034 0.000 0.868 413 E CB 0.010 29.728 29.700 0.030 0.000 0.885 413 E HN 0.202 nan 8.360 nan 0.000 0.505 414 D N 1.351 121.768 120.400 0.029 0.000 2.441 414 D HA 0.163 4.804 4.640 0.001 0.000 0.231 414 D C -1.911 174.406 176.300 0.027 0.000 1.073 414 D CA -2.970 51.044 54.000 0.025 0.000 0.850 414 D CB 1.800 42.613 40.800 0.022 0.000 1.062 414 D HN -0.219 nan 8.370 nan 0.000 0.524 415 P HA 0.027 nan 4.420 nan 0.000 0.223 415 P C 1.171 178.485 177.300 0.022 0.000 1.144 415 P CA 0.634 63.748 63.100 0.023 0.000 0.783 415 P CB 0.331 32.042 31.700 0.018 0.000 0.771 416 G N -0.639 108.174 108.800 0.022 0.000 2.985 416 G HA2 -0.015 3.946 3.960 0.001 0.000 0.209 416 G HA3 -0.015 3.946 3.960 0.001 0.000 0.209 416 G C 0.539 175.455 174.900 0.026 0.000 1.165 416 G CA 0.088 45.201 45.100 0.022 0.000 0.776 416 G HN 0.392 nan 8.290 nan 0.000 0.541 417 S N -0.310 115.408 115.700 0.030 0.000 2.600 417 S HA 0.272 4.743 4.470 0.001 0.000 0.265 417 S C 1.312 175.939 174.600 0.045 0.000 1.325 417 S CA -0.680 57.540 58.200 0.033 0.000 1.002 417 S CB 1.311 64.530 63.200 0.033 0.000 0.921 417 S HN -0.081 nan 8.310 nan 0.000 0.554 418 L N 0.721 121.973 121.223 0.047 0.000 2.046 418 L HA 0.006 4.347 4.340 0.001 0.000 0.208 418 L C 2.234 179.163 176.870 0.098 0.000 1.077 418 L CA 1.500 56.383 54.840 0.071 0.000 0.747 418 L CB -1.373 40.719 42.059 0.055 0.000 0.896 418 L HN 0.848 nan 8.230 nan 0.000 0.432 419 L N -1.257 120.008 121.223 0.070 0.000 2.042 419 L HA -0.191 4.150 4.340 0.001 0.000 0.210 419 L C 2.496 179.432 176.870 0.111 0.000 1.076 419 L CA 1.986 56.874 54.840 0.080 0.000 0.749 419 L CB -0.918 41.181 42.059 0.067 0.000 0.893 419 L HN 0.250 nan 8.230 nan 0.000 0.432 420 S N -0.563 115.184 115.700 0.077 0.000 2.368 420 S HA -0.152 4.319 4.470 0.001 0.000 0.225 420 S C 1.802 176.430 174.600 0.046 0.000 1.030 420 S CA 1.401 59.635 58.200 0.057 0.000 0.999 420 S CB -0.554 62.670 63.200 0.040 0.000 0.844 420 S HN 0.474 nan 8.310 nan 0.000 0.459 421 L N 1.071 122.327 121.223 0.055 0.000 2.017 421 L HA -0.004 4.337 4.340 0.001 0.000 0.208 421 L C 1.913 178.785 176.870 0.004 0.000 1.073 421 L CA 1.702 56.560 54.840 0.029 0.000 0.745 421 L CB -0.843 41.248 42.059 0.054 0.000 0.894 421 L HN 0.314 nan 8.230 nan 0.000 0.432 422 F N 0.353 120.257 119.950 -0.077 0.000 2.095 422 F HA -0.264 4.266 4.527 0.005 0.000 0.298 422 F C 2.570 178.225 175.800 -0.243 0.000 1.104 422 F CA 1.810 59.732 58.000 -0.130 0.000 1.232 422 F CB -0.142 38.827 39.000 -0.052 0.000 0.987 422 F HN 0.022 nan 8.300 nan 0.000 0.475 423 R N -0.098 120.487 120.500 0.142 0.000 2.096 423 R HA -0.139 4.201 4.340 0.001 0.000 0.235 423 R C 2.295 178.511 176.300 -0.139 0.000 1.127 423 R CA 1.755 57.869 56.100 0.022 0.000 0.968 423 R CB -0.346 29.983 30.300 0.049 0.000 0.861 423 R HN 0.321 nan 8.270 nan 0.000 0.440 424 R N 0.325 120.739 120.500 -0.143 0.000 2.090 424 R HA -0.017 4.323 4.340 0.001 0.000 0.228 424 R C 2.315 178.446 176.300 -0.281 0.000 1.110 424 R CA 0.980 56.985 56.100 -0.157 0.000 0.973 424 R CB -0.268 29.973 30.300 -0.098 0.000 0.869 424 R HN 0.191 nan 8.270 nan 0.000 0.440 425 L N -0.077 120.877 121.223 -0.448 0.000 2.056 425 L HA -0.156 4.185 4.340 0.001 0.000 0.207 425 L C 2.629 178.912 176.870 -0.977 0.000 1.078 425 L CA 1.081 55.512 54.840 -0.683 0.000 0.749 425 L CB -0.462 41.113 42.059 -0.806 0.000 0.901 425 L HN 0.192 nan 8.230 nan 0.000 0.433 426 S N -0.137 114.842 115.700 -1.202 0.000 2.356 426 S HA -0.260 4.211 4.470 0.001 0.000 0.223 426 S C 1.693 176.128 174.600 -0.275 0.000 1.032 426 S CA 1.887 59.641 58.200 -0.744 0.000 1.005 426 S CB -0.233 62.709 63.200 -0.431 0.000 0.867 426 S HN 0.494 nan 8.310 nan 0.000 0.449 427 D N 0.421 120.685 120.400 -0.226 0.000 2.126 427 D HA -0.163 4.478 4.640 0.001 0.000 0.190 427 D C 2.245 178.472 176.300 -0.122 0.000 1.001 427 D CA 1.594 55.519 54.000 -0.125 0.000 0.841 427 D CB -0.222 40.517 40.800 -0.101 0.000 0.949 427 D HN 0.321 nan 8.370 nan 0.000 0.446 428 Q N -0.283 119.411 119.800 -0.178 0.000 2.061 428 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 428 Q C 2.380 178.265 176.000 -0.192 0.000 0.984 428 Q CA 1.294 56.977 55.803 -0.200 0.000 0.846 428 Q CB -0.510 28.063 28.738 -0.276 0.000 0.902 428 Q HN 0.228 nan 8.270 nan 0.000 0.421 429 R N 1.178 121.589 120.500 -0.148 0.000 2.120 429 R HA -0.066 4.275 4.340 0.001 0.000 0.234 429 R C 1.895 178.211 176.300 0.027 0.000 1.123 429 R CA 1.790 57.878 56.100 -0.019 0.000 0.975 429 R CB -0.419 29.997 30.300 0.192 0.000 0.866 429 R HN 0.281 nan 8.270 nan 0.000 0.446 430 S N -0.766 114.945 115.700 0.018 0.000 2.556 430 S HA 0.053 4.524 4.470 0.001 0.000 0.216 430 S C 1.289 175.896 174.600 0.012 0.000 0.970 430 S CA 0.275 58.501 58.200 0.044 0.000 0.912 430 S CB 0.044 63.283 63.200 0.065 0.000 0.790 430 S HN 0.594 nan 8.310 nan 0.000 0.504 431 K N -0.051 120.338 120.400 -0.018 0.000 2.474 431 K HA 0.298 4.618 4.320 0.001 0.000 0.204 431 K C -0.270 176.321 176.600 -0.015 0.000 1.220 431 K CA -0.230 56.051 56.287 -0.011 0.000 0.966 431 K CB 0.298 32.795 32.500 -0.005 0.000 1.049 431 K HN 0.077 nan 8.250 nan 0.000 0.554 432 E N 2.267 122.441 120.200 -0.044 0.000 2.167 432 E HA 0.190 4.540 4.350 0.001 0.000 0.284 432 E C 0.175 176.739 176.600 -0.060 0.000 1.016 432 E CA -0.199 56.200 56.400 -0.001 0.000 0.817 432 E CB 1.698 31.380 29.700 -0.030 0.000 1.080 432 E HN 0.181 nan 8.360 nan 0.000 0.397 433 R N 1.223 121.683 120.500 -0.066 0.000 2.105 433 R HA -0.111 4.230 4.340 0.001 0.000 0.239 433 R C 1.871 177.979 176.300 -0.320 0.000 1.135 433 R CA 1.271 57.169 56.100 -0.337 0.000 0.967 433 R CB -0.008 30.169 30.300 -0.203 0.000 0.861 433 R HN 0.304 nan 8.270 nan 0.000 0.442 434 S N 0.867 116.610 115.700 0.072 0.000 2.423 434 S HA -0.018 4.453 4.470 0.001 0.000 0.231 434 S C 1.853 176.525 174.600 0.120 0.000 1.014 434 S CA 0.827 59.153 58.200 0.209 0.000 0.965 434 S CB 0.005 63.434 63.200 0.381 0.000 0.785 434 S HN 0.241 nan 8.310 nan 0.000 0.495 435 L N 0.279 121.500 121.223 -0.003 0.000 2.249 435 L HA 0.122 4.463 4.340 0.001 0.000 0.207 435 L C 2.004 178.873 176.870 -0.002 0.000 1.090 435 L CA 0.526 55.342 54.840 -0.040 0.000 0.802 435 L CB -0.399 41.547 42.059 -0.187 0.000 0.947 435 L HN 0.259 nan 8.230 nan 0.000 0.453 436 L N -0.271 120.897 121.223 -0.093 0.000 2.027 436 L HA -0.177 4.164 4.340 0.001 0.000 0.206 436 L C 1.315 178.243 176.870 0.098 0.000 1.074 436 L CA 1.467 56.290 54.840 -0.029 0.000 0.745 436 L CB -0.269 41.696 42.059 -0.157 0.000 0.898 436 L HN 0.559 nan 8.230 nan 0.000 0.433 437 H N -3.530 115.572 119.070 0.054 0.000 3.192 437 H HA 0.395 4.956 4.556 0.007 0.000 0.247 437 H C 0.176 175.587 175.328 0.138 0.000 1.203 437 H CA -0.344 55.739 56.048 0.058 0.000 0.973 437 H CB -0.885 28.767 29.762 -0.184 0.000 2.500 437 H HN -0.005 nan 8.280 nan 0.000 0.678 438 G N -0.028 108.892 108.800 0.200 0.000 2.539 438 G HA2 0.254 4.215 3.960 0.001 0.000 0.258 438 G HA3 0.254 4.215 3.960 0.001 0.000 0.258 438 G C -0.310 174.718 174.900 0.213 0.000 1.202 438 G CA -0.470 44.818 45.100 0.314 0.000 0.851 438 G HN 0.275 nan 8.290 nan 0.000 0.556 439 D N -0.871 119.566 120.400 0.062 0.000 2.354 439 D HA 0.265 4.905 4.640 0.001 0.000 0.238 439 D C -0.536 175.857 176.300 0.154 0.000 1.250 439 D CA 0.507 54.517 54.000 0.016 0.000 0.911 439 D CB 0.863 41.566 40.800 -0.161 0.000 1.163 439 D HN 0.166 nan 8.370 nan 0.000 0.456 440 F N 0.464 120.449 119.950 0.058 0.000 2.518 440 F HA 0.362 4.888 4.527 -0.002 0.000 0.323 440 F C -1.137 174.702 175.800 0.064 0.000 1.129 440 F CA -0.666 57.410 58.000 0.127 0.000 0.920 440 F CB 1.219 40.214 39.000 -0.008 0.000 1.160 440 F HN 0.204 nan 8.300 nan 0.000 0.440 441 H N 4.411 123.329 119.070 -0.254 0.000 2.823 441 H HA 0.680 5.236 4.556 -0.000 0.000 0.332 441 H C -0.706 174.412 175.328 -0.350 0.000 0.980 441 H CA -0.464 55.462 56.048 -0.204 0.000 1.286 441 H CB 1.725 31.560 29.762 0.121 0.000 1.541 441 H HN 0.852 nan 8.280 nan 0.000 0.521 442 A N 3.513 126.122 122.820 -0.352 0.000 2.304 442 A HA 0.701 5.021 4.320 0.001 0.000 0.301 442 A C -0.823 176.862 177.584 0.168 0.000 1.132 442 A CA -0.432 51.531 52.037 -0.124 0.000 0.819 442 A CB 0.088 19.128 19.000 0.066 0.000 1.094 442 A HN 0.613 nan 8.150 nan 0.000 0.492 443 F N -0.870 119.139 119.950 0.099 0.000 2.726 443 F HA 0.713 5.239 4.527 -0.002 0.000 0.324 443 F C 0.025 175.885 175.800 0.100 0.000 1.140 443 F CA -1.114 56.937 58.000 0.084 0.000 0.964 443 F CB 0.884 39.914 39.000 0.050 0.000 1.399 443 F HN 0.305 nan 8.300 nan 0.000 0.491 444 S N 1.167 117.040 115.700 0.289 0.000 2.488 444 S HA 0.644 5.115 4.470 0.001 0.000 0.278 444 S C -0.005 174.697 174.600 0.169 0.000 1.259 444 S CA -0.079 58.222 58.200 0.168 0.000 1.061 444 S CB 0.423 63.710 63.200 0.145 0.000 0.910 444 S HN 0.945 nan 8.310 nan 0.000 0.491 445 A N 3.254 126.121 122.820 0.078 0.000 2.464 445 A HA 0.944 5.265 4.320 0.001 0.000 0.268 445 A C 0.630 178.254 177.584 0.065 0.000 1.244 445 A CA -0.440 51.641 52.037 0.073 0.000 0.871 445 A CB 0.019 19.030 19.000 0.018 0.000 1.400 445 A HN 0.835 nan 8.150 nan 0.000 0.455 446 G N -0.900 107.934 108.800 0.058 0.000 2.631 446 G HA2 0.405 4.366 3.960 0.001 0.000 0.271 446 G HA3 0.405 4.366 3.960 0.001 0.000 0.271 446 G C -1.587 173.344 174.900 0.053 0.000 1.302 446 G CA -0.310 44.820 45.100 0.049 0.000 1.002 446 G HN 0.394 nan 8.290 nan 0.000 0.519 447 P HA -0.105 nan 4.420 nan 0.000 0.213 447 P C 1.702 179.037 177.300 0.059 0.000 1.176 447 P CA 2.152 65.278 63.100 0.043 0.000 0.919 447 P CB -0.053 31.667 31.700 0.033 0.000 0.791 448 G N -1.526 107.319 108.800 0.076 0.000 3.314 448 G HA2 0.271 4.232 3.960 0.001 0.000 0.238 448 G HA3 0.271 4.232 3.960 0.001 0.000 0.238 448 G C 0.106 175.127 174.900 0.202 0.000 1.184 448 G CA -0.107 45.066 45.100 0.121 0.000 0.806 448 G HN 0.137 nan 8.290 nan 0.000 0.536 449 L N -0.095 121.230 121.223 0.169 0.000 2.334 449 L HA 0.606 4.947 4.340 0.001 0.000 0.272 449 L C -0.977 176.069 176.870 0.293 0.000 1.020 449 L CA -1.094 53.871 54.840 0.210 0.000 0.812 449 L CB 2.250 44.373 42.059 0.107 0.000 1.264 449 L HN 0.109 nan 8.230 nan 0.000 0.439 450 F N 1.882 121.924 119.950 0.154 0.000 2.553 450 F HA 0.485 5.016 4.527 0.006 0.000 0.335 450 F C -0.544 175.281 175.800 0.042 0.000 1.148 450 F CA -0.365 57.711 58.000 0.126 0.000 0.963 450 F CB 1.736 40.901 39.000 0.276 0.000 1.217 450 F HN 0.430 nan 8.300 nan 0.000 0.441 451 S N 5.683 121.336 115.700 -0.079 0.000 2.521 451 S HA 0.755 5.226 4.470 0.001 0.000 0.295 451 S C -1.546 172.678 174.600 -0.626 0.000 1.098 451 S CA -0.340 57.561 58.200 -0.499 0.000 0.999 451 S CB 1.265 64.091 63.200 -0.624 0.000 1.034 451 S HN 0.701 nan 8.310 nan 0.000 0.483 452 Y N 1.217 121.187 120.300 -0.551 0.000 2.638 452 Y HA 0.778 5.329 4.550 0.002 0.000 0.335 452 Y C -1.357 174.579 175.900 0.060 0.000 1.155 452 Y CA -1.356 56.553 58.100 -0.318 0.000 1.046 452 Y CB 0.633 38.809 38.460 -0.474 0.000 1.303 452 Y HN 0.456 nan 8.280 nan 0.000 0.460 453 I N 2.608 123.403 120.570 0.375 0.000 2.530 453 I HA 0.542 4.713 4.170 0.001 0.000 0.297 453 I C -0.674 175.728 176.117 0.475 0.000 1.011 453 I CA -1.221 60.308 61.300 0.382 0.000 1.107 453 I CB 1.686 39.903 38.000 0.363 0.000 1.285 453 I HN 0.486 nan 8.210 nan 0.000 0.436 454 R N 3.984 124.754 120.500 0.450 0.000 2.387 454 R HA 0.520 4.861 4.340 0.001 0.000 0.314 454 R C -1.182 175.374 176.300 0.425 0.000 0.958 454 R CA -0.846 55.516 56.100 0.438 0.000 0.846 454 R CB 1.161 31.689 30.300 0.379 0.000 1.147 454 R HN 0.771 nan 8.270 nan 0.000 0.447 455 H N -1.208 118.023 119.070 0.268 0.000 3.026 455 H HA 0.434 4.989 4.556 -0.001 0.000 0.352 455 H C -1.603 173.903 175.328 0.297 0.000 1.090 455 H CA -0.918 55.254 56.048 0.206 0.000 1.268 455 H CB 1.846 31.678 29.762 0.116 0.000 1.816 455 H HN 0.627 nan 8.280 nan 0.000 0.518 456 W N 6.645 128.013 121.300 0.113 0.000 2.619 456 W HA 0.352 5.011 4.660 -0.001 0.000 0.327 456 W C -0.506 176.075 176.519 0.103 0.000 1.027 456 W CA -0.273 57.129 57.345 0.096 0.000 1.233 456 W CB 1.370 30.890 29.460 0.100 0.000 1.370 456 W HN 0.985 nan 8.180 nan 0.000 0.453 457 D N 2.385 122.265 120.400 -0.867 0.000 3.899 457 D HA -0.350 4.291 4.640 0.001 0.000 0.146 457 D C 0.773 176.868 176.300 -0.342 0.000 0.820 457 D CA 2.567 56.118 54.000 -0.748 0.000 1.056 457 D CB -0.640 39.541 40.800 -1.030 0.000 0.474 457 D HN 0.699 nan 8.370 nan 0.000 0.457 458 Q N 0.266 119.872 119.800 -0.323 0.000 2.198 458 Q HA 0.236 4.577 4.340 0.001 0.000 0.209 458 Q C -0.091 175.878 176.000 -0.051 0.000 0.848 458 Q CA -0.319 55.265 55.803 -0.364 0.000 0.974 458 Q CB 0.303 28.641 28.738 -0.667 0.000 1.115 458 Q HN 0.288 nan 8.270 nan 0.000 0.494 459 N N 1.823 120.560 118.700 0.061 0.000 2.444 459 N HA 0.005 4.746 4.740 0.001 0.000 0.255 459 N C -0.065 175.481 175.510 0.060 0.000 1.255 459 N CA 0.061 53.188 53.050 0.128 0.000 0.933 459 N CB 0.738 39.383 38.487 0.265 0.000 1.143 459 N HN 0.139 nan 8.380 nan 0.000 0.453 460 E N 0.916 121.116 120.200 -0.000 0.000 2.652 460 E HA -0.100 4.250 4.350 0.001 0.000 0.255 460 E C -0.621 175.766 176.600 -0.355 0.000 0.952 460 E CA 0.436 56.713 56.400 -0.204 0.000 0.947 460 E CB 0.342 29.906 29.700 -0.228 0.000 0.912 460 E HN 0.215 nan 8.360 nan 0.000 0.489 461 R N 2.900 123.011 120.500 -0.649 0.000 2.500 461 R HA 0.449 4.790 4.340 0.001 0.000 0.275 461 R C -0.844 174.902 176.300 -0.922 0.000 1.051 461 R CA -0.195 55.486 56.100 -0.698 0.000 1.088 461 R CB 0.739 30.312 30.300 -1.211 0.000 1.063 461 R HN 0.406 nan 8.270 nan 0.000 0.511 462 F N 1.730 121.577 119.950 -0.171 0.000 2.507 462 F HA 0.398 4.911 4.527 -0.023 0.000 0.325 462 F C -0.612 175.202 175.800 0.022 0.000 1.116 462 F CA -1.039 56.927 58.000 -0.057 0.000 0.930 462 F CB 1.504 40.498 39.000 -0.010 0.000 1.146 462 F HN 0.174 nan 8.300 nan 0.000 0.447 463 L N 4.890 126.226 121.223 0.189 0.000 2.296 463 L HA 0.780 5.121 4.340 0.001 0.000 0.286 463 L C -1.269 175.591 176.870 -0.017 0.000 1.023 463 L CA -0.571 54.361 54.840 0.153 0.000 0.812 463 L CB 1.345 43.556 42.059 0.254 0.000 1.223 463 L HN 0.363 nan 8.230 nan 0.000 0.421 464 V N 5.833 125.574 119.914 -0.287 0.000 2.417 464 V HA 0.598 4.719 4.120 0.001 0.000 0.291 464 V C -0.534 175.271 176.094 -0.483 0.000 1.024 464 V CA -0.623 61.386 62.300 -0.486 0.000 0.861 464 V CB 1.774 32.982 31.823 -1.025 0.000 0.985 464 V HN 0.548 nan 8.190 nan 0.000 0.436 465 V N 6.466 126.211 119.914 -0.281 0.000 2.443 465 V HA 0.519 4.640 4.120 0.001 0.000 0.293 465 V C -0.495 175.501 176.094 -0.162 0.000 1.021 465 V CA -0.467 61.711 62.300 -0.202 0.000 0.848 465 V CB 1.637 33.403 31.823 -0.095 0.000 0.998 465 V HN 0.661 nan 8.190 nan 0.000 0.424 466 L N 4.058 125.202 121.223 -0.132 0.000 2.319 466 L HA 0.565 4.906 4.340 0.001 0.000 0.281 466 L C -0.200 176.638 176.870 -0.053 0.000 1.005 466 L CA -0.476 54.274 54.840 -0.150 0.000 0.828 466 L CB 1.771 43.723 42.059 -0.178 0.000 1.227 466 L HN 0.542 nan 8.230 nan 0.000 0.415 467 N N 2.432 121.073 118.700 -0.099 0.000 2.500 467 N HA 0.228 4.968 4.740 0.001 0.000 0.236 467 N C 0.224 175.713 175.510 -0.036 0.000 1.022 467 N CA -0.182 52.864 53.050 -0.007 0.000 0.935 467 N CB 0.506 38.980 38.487 -0.021 0.000 1.147 467 N HN 0.356 nan 8.380 nan 0.000 0.512 468 F N 0.795 120.804 119.950 0.100 0.000 2.661 468 F HA 0.261 4.790 4.527 0.004 0.000 0.298 468 F C 1.881 177.772 175.800 0.152 0.000 1.137 468 F CA 0.159 58.257 58.000 0.163 0.000 1.454 468 F CB -0.089 39.002 39.000 0.153 0.000 1.103 468 F HN 0.416 nan 8.300 nan 0.000 0.577 469 G N -0.134 108.767 108.800 0.168 0.000 2.504 469 G HA2 0.216 4.177 3.960 0.001 0.000 0.288 469 G HA3 0.216 4.177 3.960 0.001 0.000 0.288 469 G C -0.029 174.715 174.900 -0.260 0.000 1.182 469 G CA -0.335 44.786 45.100 0.035 0.000 0.894 469 G HN 0.215 nan 8.290 nan 0.000 0.521 470 D N -0.845 119.437 120.400 -0.197 0.000 2.336 470 D HA 0.056 4.696 4.640 0.001 0.000 0.228 470 D C 0.388 176.584 176.300 -0.173 0.000 1.120 470 D CA -0.168 53.637 54.000 -0.325 0.000 0.839 470 D CB 0.210 41.002 40.800 -0.013 0.000 0.932 470 D HN 0.080 nan 8.370 nan 0.000 0.509 471 V N 0.130 119.966 119.914 -0.129 0.000 2.715 471 V HA 0.669 4.790 4.120 0.001 0.000 0.310 471 V C 1.117 177.169 176.094 -0.072 0.000 1.054 471 V CA -1.004 61.253 62.300 -0.072 0.000 0.928 471 V CB 1.787 33.591 31.823 -0.032 0.000 1.007 471 V HN 0.220 nan 8.190 nan 0.000 0.437 472 G N 2.891 111.662 108.800 -0.048 0.000 2.414 472 G HA2 0.422 4.383 3.960 0.001 0.000 0.236 472 G HA3 0.422 4.383 3.960 0.001 0.000 0.236 472 G C -0.882 174.007 174.900 -0.019 0.000 1.293 472 G CA 0.114 45.195 45.100 -0.033 0.000 0.869 472 G HN 0.553 nan 8.290 nan 0.000 0.556 473 L N 0.857 122.073 121.223 -0.013 0.000 2.455 473 L HA 0.306 4.646 4.340 0.001 0.000 0.264 473 L C 0.216 177.088 176.870 0.004 0.000 0.968 473 L CA -0.708 54.132 54.840 -0.001 0.000 0.827 473 L CB 2.461 44.525 42.059 0.007 0.000 1.317 473 L HN 0.491 nan 8.230 nan 0.000 0.407 474 S N 1.166 116.871 115.700 0.008 0.000 2.531 474 S HA 0.229 4.700 4.470 0.001 0.000 0.279 474 S C 0.998 175.609 174.600 0.019 0.000 1.305 474 S CA 0.163 58.370 58.200 0.011 0.000 1.058 474 S CB 1.648 64.855 63.200 0.010 0.000 0.899 474 S HN 0.737 nan 8.310 nan 0.000 0.493 475 A N 3.415 126.248 122.820 0.020 0.000 1.930 475 A HA 0.291 4.612 4.320 0.001 0.000 0.217 475 A C 1.710 179.322 177.584 0.047 0.000 1.175 475 A CA 0.894 52.950 52.037 0.032 0.000 0.627 475 A CB -1.249 17.770 19.000 0.031 0.000 0.815 475 A HN 1.669 nan 8.150 nan 0.000 0.443 476 G N -0.279 108.546 108.800 0.042 0.000 2.393 476 G HA2 -0.221 3.739 3.960 0.001 0.000 0.299 476 G HA3 -0.221 3.739 3.960 0.001 0.000 0.299 476 G C -0.039 174.911 174.900 0.082 0.000 0.990 476 G CA 0.412 45.541 45.100 0.048 0.000 1.118 476 G HN 0.541 nan 8.290 nan 0.000 0.513 477 L N -0.288 121.000 121.223 0.108 0.000 2.477 477 L HA 0.206 4.546 4.340 0.001 0.000 0.272 477 L C 0.951 177.911 176.870 0.150 0.000 1.157 477 L CA 0.494 55.466 54.840 0.219 0.000 0.889 477 L CB 0.651 42.868 42.059 0.262 0.000 1.158 477 L HN 0.364 nan 8.230 nan 0.000 0.473 478 Q N 2.435 122.362 119.800 0.213 0.000 2.413 478 Q HA 0.381 4.722 4.340 0.001 0.000 0.258 478 Q C 0.305 176.353 176.000 0.079 0.000 1.037 478 Q CA -0.347 55.518 55.803 0.103 0.000 0.764 478 Q CB 2.011 30.809 28.738 0.100 0.000 1.217 478 Q HN 0.861 nan 8.270 nan 0.000 0.490 479 A N 1.479 124.212 122.820 -0.146 0.000 1.861 479 A HA -0.031 4.290 4.320 0.001 0.000 0.214 479 A C 1.432 178.944 177.584 -0.121 0.000 1.322 479 A CA 1.217 53.068 52.037 -0.310 0.000 0.601 479 A CB -0.591 18.138 19.000 -0.451 0.000 0.966 479 A HN 0.776 nan 8.150 nan 0.000 0.471 480 S N -1.700 113.929 115.700 -0.119 0.000 1.891 480 S HA -0.342 4.129 4.470 0.001 0.000 0.224 480 S C 0.925 175.496 174.600 -0.048 0.000 0.993 480 S CA 2.367 60.528 58.200 -0.065 0.000 1.595 480 S CB -1.759 61.426 63.200 -0.025 0.000 2.103 480 S HN 0.764 nan 8.310 nan 0.000 0.555 481 D N 0.197 120.581 120.400 -0.027 0.000 2.407 481 D HA 0.340 4.981 4.640 0.001 0.000 0.208 481 D C 0.177 176.465 176.300 -0.020 0.000 1.083 481 D CA -0.228 53.774 54.000 0.004 0.000 0.844 481 D CB 0.123 40.959 40.800 0.061 0.000 0.967 481 D HN 0.305 nan 8.370 nan 0.000 0.506 482 L N 1.808 122.973 121.223 -0.097 0.000 2.529 482 L HA 0.169 4.510 4.340 0.001 0.000 0.287 482 L C -1.689 175.052 176.870 -0.215 0.000 1.241 482 L CA -0.924 53.795 54.840 -0.201 0.000 0.857 482 L CB -0.373 41.514 42.059 -0.287 0.000 1.113 482 L HN 0.043 nan 8.230 nan 0.000 0.504 483 P HA 0.145 nan 4.420 nan 0.000 0.271 483 P C -0.077 177.115 177.300 -0.180 0.000 1.218 483 P CA -0.244 62.730 63.100 -0.211 0.000 0.780 483 P CB 0.539 32.107 31.700 -0.220 0.000 0.901 484 A N 2.231 124.983 122.820 -0.114 0.000 1.933 484 A HA -0.174 4.146 4.320 0.001 0.000 0.218 484 A C 2.137 179.660 177.584 -0.103 0.000 1.175 484 A CA 2.116 54.091 52.037 -0.104 0.000 0.628 484 A CB -1.617 17.340 19.000 -0.071 0.000 0.814 484 A HN 0.633 nan 8.150 nan 0.000 0.444 485 S N -0.570 115.092 115.700 -0.063 0.000 2.447 485 S HA 0.204 4.675 4.470 0.001 0.000 0.233 485 S C 1.476 176.060 174.600 -0.026 0.000 1.006 485 S CA 1.127 59.327 58.200 -0.001 0.000 0.957 485 S CB -0.257 63.008 63.200 0.109 0.000 0.773 485 S HN 1.005 nan 8.310 nan 0.000 0.507 486 A N 1.468 124.207 122.820 -0.135 0.000 2.503 486 A HA 0.555 4.876 4.320 0.001 0.000 0.263 486 A C 0.981 178.511 177.584 -0.089 0.000 1.258 486 A CA 0.103 52.043 52.037 -0.162 0.000 0.936 486 A CB -0.327 18.285 19.000 -0.647 0.000 1.070 486 A HN 0.638 nan 8.150 nan 0.000 0.522 487 S N -0.312 115.298 115.700 -0.151 0.000 2.563 487 S HA 0.293 4.763 4.470 0.001 0.000 0.269 487 S C 0.013 174.436 174.600 -0.295 0.000 1.364 487 S CA -0.196 57.874 58.200 -0.216 0.000 1.010 487 S CB 0.222 63.300 63.200 -0.204 0.000 0.877 487 S HN 0.167 nan 8.310 nan 0.000 0.549 488 L N 3.015 124.001 121.223 -0.395 0.000 2.367 488 L HA 0.452 4.793 4.340 0.001 0.000 0.275 488 L C -1.373 175.185 176.870 -0.519 0.000 1.129 488 L CA -1.560 52.939 54.840 -0.569 0.000 0.839 488 L CB -0.123 41.666 42.059 -0.451 0.000 1.133 488 L HN 0.687 nan 8.230 nan 0.000 0.453 489 P HA 0.251 nan 4.420 nan 0.000 0.279 489 P C 0.002 177.119 177.300 -0.306 0.000 1.276 489 P CA -0.520 62.324 63.100 -0.427 0.000 0.801 489 P CB 0.867 32.303 31.700 -0.441 0.000 1.127 490 A N 1.095 123.793 122.820 -0.204 0.000 1.933 490 A HA -0.090 4.231 4.320 0.001 0.000 0.218 490 A C 0.794 178.299 177.584 -0.131 0.000 1.175 490 A CA 1.414 53.363 52.037 -0.146 0.000 0.628 490 A CB -0.530 18.405 19.000 -0.107 0.000 0.814 490 A HN 0.634 nan 8.150 nan 0.000 0.444 491 K N -1.690 118.631 120.400 -0.131 0.000 2.469 491 K HA 0.709 5.030 4.320 0.001 0.000 0.254 491 K C -1.028 175.514 176.600 -0.097 0.000 0.939 491 K CA -0.255 55.975 56.287 -0.095 0.000 0.812 491 K CB 2.370 34.835 32.500 -0.058 0.000 1.301 491 K HN 0.225 nan 8.250 nan 0.000 0.433 492 A N 1.466 124.252 122.820 -0.056 0.000 2.454 492 A HA 0.521 4.842 4.320 0.001 0.000 0.302 492 A C -1.371 176.226 177.584 0.021 0.000 1.079 492 A CA -0.812 51.230 52.037 0.008 0.000 0.731 492 A CB 1.011 20.046 19.000 0.059 0.000 1.299 492 A HN 0.675 nan 8.150 nan 0.000 0.413 493 D N 0.856 121.277 120.400 0.034 0.000 2.351 493 D HA 0.368 5.009 4.640 0.001 0.000 0.251 493 D C -0.269 176.050 176.300 0.031 0.000 1.137 493 D CA 0.217 54.231 54.000 0.023 0.000 0.879 493 D CB 1.095 41.905 40.800 0.017 0.000 1.181 493 D HN 0.360 nan 8.370 nan 0.000 0.448 494 L N 4.055 125.294 121.223 0.026 0.000 2.361 494 L HA 0.056 4.397 4.340 0.001 0.000 0.278 494 L C 0.524 177.418 176.870 0.040 0.000 1.113 494 L CA -0.085 54.774 54.840 0.032 0.000 0.849 494 L CB 0.701 42.773 42.059 0.020 0.000 1.155 494 L HN 0.346 nan 8.230 nan 0.000 0.452 495 L N 6.852 128.111 121.223 0.060 0.000 2.130 495 L HA 0.377 4.717 4.340 0.001 0.000 0.200 495 L C -0.082 176.814 176.870 0.044 0.000 1.075 495 L CA 1.383 56.265 54.840 0.070 0.000 0.768 495 L CB -0.233 41.908 42.059 0.137 0.000 0.933 495 L HN 0.626 nan 8.230 nan 0.000 0.451 496 L N -1.973 119.272 121.223 0.036 0.000 2.710 496 L HA 0.546 4.887 4.340 0.001 0.000 0.260 496 L C -1.262 175.614 176.870 0.009 0.000 0.993 496 L CA -0.437 54.413 54.840 0.017 0.000 0.877 496 L CB 1.503 43.565 42.059 0.005 0.000 1.461 496 L HN 0.034 nan 8.230 nan 0.000 0.413 497 S N -0.408 115.296 115.700 0.005 0.000 2.607 497 S HA 0.550 5.021 4.470 0.001 0.000 0.303 497 S C 0.896 175.498 174.600 0.004 0.000 1.086 497 S CA 0.260 58.460 58.200 0.001 0.000 0.995 497 S CB 1.720 64.921 63.200 0.003 0.000 1.084 497 S HN 0.938 nan 8.310 nan 0.000 0.507 498 T N 0.719 115.275 114.554 0.004 0.000 3.118 498 T HA 0.207 4.558 4.350 0.001 0.000 0.260 498 T C 0.430 175.143 174.700 0.021 0.000 1.139 498 T CA 0.549 62.657 62.100 0.015 0.000 1.085 498 T CB -0.291 68.587 68.868 0.017 0.000 0.934 498 T HN 0.622 nan 8.240 nan 0.000 0.518 499 Q N 1.307 121.117 119.800 0.017 0.000 2.413 499 Q HA 0.521 4.862 4.340 0.001 0.000 0.276 499 Q C -2.817 173.192 176.000 0.016 0.000 1.099 499 Q CA -2.686 53.130 55.803 0.020 0.000 0.814 499 Q CB 2.201 30.954 28.738 0.024 0.000 1.379 499 Q HN 0.154 nan 8.270 nan 0.000 0.436 500 P HA 0.224 nan 4.420 nan 0.000 0.276 500 P C 0.239 177.546 177.300 0.012 0.000 1.261 500 P CA 0.165 63.273 63.100 0.013 0.000 0.800 500 P CB 0.683 32.392 31.700 0.014 0.000 1.066 501 G N -0.891 107.915 108.800 0.010 0.000 2.211 501 G HA2 -0.136 3.825 3.960 0.001 0.000 0.201 501 G HA3 -0.136 3.825 3.960 0.001 0.000 0.201 501 G C 0.214 175.118 174.900 0.007 0.000 0.997 501 G CA -0.485 44.620 45.100 0.008 0.000 0.652 501 G HN 0.561 nan 8.290 nan 0.000 0.500 502 R N 0.768 121.272 120.500 0.007 0.000 2.536 502 R HA 0.479 4.820 4.340 0.001 0.000 0.279 502 R C -0.369 175.935 176.300 0.007 0.000 1.001 502 R CA -0.616 55.487 56.100 0.006 0.000 1.027 502 R CB 0.883 31.187 30.300 0.006 0.000 1.096 502 R HN 0.349 nan 8.270 nan 0.000 0.502 503 E N 2.237 122.441 120.200 0.007 0.000 1.963 503 E HA 0.059 4.410 4.350 0.001 0.000 0.274 503 E C -0.551 176.055 176.600 0.009 0.000 1.061 503 E CA -0.072 56.333 56.400 0.007 0.000 0.847 503 E CB 0.630 30.334 29.700 0.006 0.000 1.083 503 E HN 0.282 nan 8.360 nan 0.000 0.402 504 E N 0.781 120.987 120.200 0.011 0.000 2.373 504 E HA 0.162 4.513 4.350 0.001 0.000 0.267 504 E C 0.911 177.520 176.600 0.015 0.000 1.032 504 E CA 0.348 56.757 56.400 0.015 0.000 0.889 504 E CB 0.917 30.627 29.700 0.015 0.000 0.984 504 E HN 0.806 nan 8.360 nan 0.000 0.425 505 G N 2.230 111.041 108.800 0.019 0.000 2.175 505 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 505 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 505 G C 0.207 175.115 174.900 0.013 0.000 0.982 505 G CA 0.310 45.421 45.100 0.018 0.000 0.641 505 G HN 0.657 nan 8.290 nan 0.000 0.527 506 S N 0.540 116.247 115.700 0.011 0.000 2.578 506 S HA 0.840 5.311 4.470 0.001 0.000 0.301 506 S C -2.715 171.889 174.600 0.006 0.000 1.091 506 S CA -1.446 56.758 58.200 0.007 0.000 1.032 506 S CB 3.333 66.536 63.200 0.004 0.000 1.064 506 S HN 0.268 nan 8.310 nan 0.000 0.508 507 P HA 0.341 nan 4.420 nan 0.000 0.280 507 P C -1.032 176.263 177.300 -0.008 0.000 1.244 507 P CA -0.452 62.646 63.100 -0.003 0.000 0.784 507 P CB 0.576 32.270 31.700 -0.010 0.000 0.913 508 L N 2.575 123.793 121.223 -0.010 0.000 2.309 508 L HA 0.354 4.695 4.340 0.001 0.000 0.282 508 L C 0.768 177.621 176.870 -0.028 0.000 1.036 508 L CA -0.862 53.970 54.840 -0.014 0.000 0.806 508 L CB 1.053 43.107 42.059 -0.007 0.000 1.220 508 L HN 0.270 nan 8.230 nan 0.000 0.429 509 E N 2.189 122.372 120.200 -0.029 0.000 2.220 509 E HA 0.085 4.436 4.350 0.001 0.000 0.272 509 E C 0.801 177.377 176.600 -0.040 0.000 1.099 509 E CA -0.001 56.376 56.400 -0.040 0.000 0.907 509 E CB 0.817 30.497 29.700 -0.034 0.000 1.022 509 E HN 0.469 nan 8.360 nan 0.000 0.428 510 L N 3.369 124.557 121.223 -0.057 0.000 2.131 510 L HA -0.207 4.134 4.340 0.001 0.000 0.210 510 L C 2.056 178.906 176.870 -0.033 0.000 1.092 510 L CA 1.419 56.229 54.840 -0.050 0.000 0.759 510 L CB -0.480 41.527 42.059 -0.087 0.000 0.903 510 L HN 0.638 nan 8.230 nan 0.000 0.435 511 E N 0.671 120.846 120.200 -0.041 0.000 2.204 511 E HA -0.209 4.142 4.350 0.001 0.000 0.195 511 E C 1.709 178.299 176.600 -0.017 0.000 0.990 511 E CA 0.915 57.298 56.400 -0.029 0.000 0.821 511 E CB -0.159 29.520 29.700 -0.036 0.000 0.750 511 E HN 0.475 nan 8.360 nan 0.000 0.477 512 R N 0.459 120.948 120.500 -0.018 0.000 2.359 512 R HA 0.226 4.567 4.340 0.001 0.000 0.231 512 R C -0.101 176.194 176.300 -0.007 0.000 0.913 512 R CA -0.447 55.646 56.100 -0.012 0.000 1.075 512 R CB -0.020 30.272 30.300 -0.014 0.000 1.087 512 R HN 0.117 nan 8.270 nan 0.000 0.515 513 L N 2.303 123.523 121.223 -0.005 0.000 2.499 513 L HA 0.009 4.349 4.340 0.001 0.000 0.273 513 L C -0.333 176.538 176.870 0.002 0.000 1.195 513 L CA 1.134 55.973 54.840 -0.001 0.000 0.882 513 L CB 0.229 42.291 42.059 0.004 0.000 1.133 513 L HN -0.037 nan 8.230 nan 0.000 0.483 514 K N 5.551 125.951 120.400 -0.001 0.000 2.482 514 K HA 0.556 4.877 4.320 0.001 0.000 0.251 514 K C -1.533 175.064 176.600 -0.004 0.000 0.936 514 K CA -0.772 55.514 56.287 -0.001 0.000 0.791 514 K CB 1.818 34.316 32.500 -0.002 0.000 1.213 514 K HN 0.359 nan 8.250 nan 0.000 0.428 515 L N 2.505 123.724 121.223 -0.007 0.000 2.325 515 L HA 0.404 4.745 4.340 0.001 0.000 0.278 515 L C 0.514 177.373 176.870 -0.018 0.000 1.023 515 L CA -0.703 54.130 54.840 -0.013 0.000 0.811 515 L CB 1.501 43.550 42.059 -0.017 0.000 1.249 515 L HN 0.621 nan 8.230 nan 0.000 0.431 516 E N 2.385 122.575 120.200 -0.016 0.000 2.371 516 E HA 0.243 4.594 4.350 0.001 0.000 0.257 516 E C -2.194 174.378 176.600 -0.047 0.000 1.134 516 E CA -1.833 54.555 56.400 -0.020 0.000 0.919 516 E CB 0.146 29.844 29.700 -0.003 0.000 1.025 516 E HN 0.263 nan 8.360 nan 0.000 0.438 517 P HA -0.065 nan 4.420 nan 0.000 0.260 517 P C -0.694 176.506 177.300 -0.166 0.000 1.172 517 P CA 0.912 63.876 63.100 -0.227 0.000 0.760 517 P CB -0.040 31.527 31.700 -0.223 0.000 0.773 518 H N -1.526 117.547 119.070 0.005 0.000 3.211 518 H HA -0.218 4.339 4.556 0.000 0.000 0.240 518 H C 0.424 175.721 175.328 -0.052 0.000 1.148 518 H CA 0.821 56.857 56.048 -0.020 0.000 1.160 518 H CB -1.360 28.408 29.762 0.011 0.000 1.232 518 H HN 0.492 nan 8.280 nan 0.000 0.321 519 E N 1.299 121.510 120.200 0.018 0.000 2.313 519 E HA 0.412 4.763 4.350 0.001 0.000 0.276 519 E C 0.594 177.164 176.600 -0.051 0.000 1.031 519 E CA 0.019 56.418 56.400 -0.003 0.000 0.857 519 E CB 0.847 30.544 29.700 -0.006 0.000 1.040 519 E HN 0.380 nan 8.360 nan 0.000 0.408 520 G N 4.258 113.025 108.800 -0.054 0.000 2.416 520 G HA2 0.530 4.490 3.960 0.001 0.000 0.324 520 G HA3 0.530 4.490 3.960 0.001 0.000 0.324 520 G C -0.946 173.919 174.900 -0.058 0.000 1.194 520 G CA -0.600 44.449 45.100 -0.085 0.000 0.922 520 G HN 0.457 nan 8.290 nan 0.000 0.467 521 L N 1.756 122.937 121.223 -0.070 0.000 2.346 521 L HA 0.532 4.872 4.340 0.001 0.000 0.274 521 L C -0.873 175.967 176.870 -0.050 0.000 1.007 521 L CA -1.084 53.730 54.840 -0.043 0.000 0.818 521 L CB 2.254 44.295 42.059 -0.030 0.000 1.284 521 L HN 0.319 nan 8.230 nan 0.000 0.424 522 L N 4.231 125.449 121.223 -0.008 0.000 2.316 522 L HA 0.603 4.944 4.340 0.001 0.000 0.280 522 L C -1.074 175.849 176.870 0.087 0.000 1.006 522 L CA -0.064 54.797 54.840 0.034 0.000 0.836 522 L CB 1.216 43.299 42.059 0.040 0.000 1.221 522 L HN 0.388 nan 8.230 nan 0.000 0.418 523 L N 5.051 126.337 121.223 0.105 0.000 2.333 523 L HA 0.766 5.107 4.340 0.001 0.000 0.269 523 L C -0.222 176.701 176.870 0.089 0.000 1.010 523 L CA -0.536 54.365 54.840 0.101 0.000 0.818 523 L CB 1.866 43.978 42.059 0.089 0.000 1.306 523 L HN 0.649 nan 8.230 nan 0.000 0.430 524 R N 1.235 121.732 120.500 -0.005 0.000 2.771 524 R HA 0.868 5.208 4.340 0.001 0.000 0.274 524 R C -1.641 174.626 176.300 -0.055 0.000 0.987 524 R CA -0.726 55.210 56.100 -0.272 0.000 0.908 524 R CB 1.897 31.827 30.300 -0.618 0.000 1.213 524 R HN 0.489 nan 8.270 nan 0.000 0.468 525 F N -1.474 118.320 119.950 -0.260 0.000 2.654 525 F HA 0.682 5.211 4.527 0.004 0.000 0.308 525 F C -3.009 172.708 175.800 -0.137 0.000 1.108 525 F CA -2.868 55.036 58.000 -0.161 0.000 0.957 525 F CB 1.640 40.566 39.000 -0.123 0.000 1.309 525 F HN 0.375 nan 8.300 nan 0.000 0.446 526 P HA 0.086 nan 4.420 nan 0.000 0.276 526 P C -0.932 176.433 177.300 0.108 0.000 1.244 526 P CA -0.019 63.098 63.100 0.029 0.000 0.801 526 P CB 0.835 32.571 31.700 0.060 0.000 1.006 527 Y N 2.311 122.598 120.300 -0.021 0.000 2.805 527 Y HA 0.180 4.729 4.550 -0.002 0.000 0.337 527 Y C 1.020 176.941 175.900 0.035 0.000 1.252 527 Y CA 1.416 59.523 58.100 0.012 0.000 1.515 527 Y CB -0.506 37.949 38.460 -0.009 0.000 1.305 527 Y HN 0.963 nan 8.280 nan 0.000 0.600 528 A N 3.107 125.459 122.820 -0.780 0.000 5.953 528 A HA 0.075 4.396 4.320 0.001 0.000 0.267 528 A C 0.894 178.354 177.584 -0.208 0.000 2.116 528 A CA 0.927 52.632 52.037 -0.552 0.000 0.711 528 A CB -2.313 16.416 19.000 -0.451 0.000 1.100 528 A HN 2.593 nan 8.150 nan 0.000 0.364 529 A N 0.000 122.734 122.820 -0.143 0.000 2.254 529 A HA 0.000 4.321 4.320 0.001 0.000 0.244 529 A CA 0.000 51.983 52.037 -0.090 0.000 0.836 529 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486