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 1gl6_1_E DATA FIRST_RESID 76 DATA SEQUENCE QGEFGGAPFK RFLRGTRIVS GGKLKRMTRE KAKQVTVAGV PMPRDAEPRH DATA SEQUENCE LLVNGATGTG KSVLLRELAY TGLLRGDRMV IVDPNGDMLS KFGRDKDIIL DATA SEQUENCE NPYDQRTKGW SFFNEIRNDY DWQRYALSVV PRGKTDEAEE WASYGRLLLR DATA SEQUENCE ETAKKLALIG TPSMRELFHW TTIATFDDLR GFLEGTLAES LFAGSNEASK DATA SEQUENCE ALTSARFVLS DKLPEHVTMP DGDFSIRSWL EDPNGGNLFI TWREDMGPAL DATA SEQUENCE RPLISAWVDV VCTSILSLPE EPKRRLWLFI DELASLEKLA SLADALTKGR DATA SEQUENCE KAGLRVVAGL QSTSQLDDVY GVKEAQTLRA SFRSLVVLGG SRTDPKTNED DATA SEQUENCE MSLSLGEHEV ERDRXXXXXX XXXXXXXXLE RVRERVVMPA EIANLPDLTA DATA SEQUENCE YVGFAGNRPI AKVPLEIKQF ANRQPAFVE 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 76 Q HA 0.000 nan 4.340 nan 0.000 0.214 76 Q C 0.000 176.019 176.000 0.031 0.000 1.003 76 Q CA 0.000 55.818 55.803 0.026 0.000 1.022 76 Q CB 0.000 28.791 28.738 0.088 0.000 1.108 77 G N -0.473 108.360 108.800 0.055 0.000 3.211 77 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.202 77 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.202 77 G C 0.549 175.494 174.900 0.076 0.000 1.035 77 G CA 0.538 45.665 45.100 0.046 0.000 0.846 77 G HN 0.282 nan 8.290 nan 0.000 0.464 78 E N -0.660 119.612 120.200 0.119 0.000 2.057 78 E HA 0.304 4.654 4.350 -0.000 0.000 0.190 78 E C 0.449 177.216 176.600 0.277 0.000 0.969 78 E CA 0.119 56.616 56.400 0.163 0.000 0.812 78 E CB 0.329 30.118 29.700 0.148 0.000 0.777 78 E HN 0.294 nan 8.360 nan 0.000 0.455 79 F N 0.962 120.999 119.950 0.145 0.000 2.404 79 F HA 0.411 4.938 4.527 -0.000 0.000 0.345 79 F C 1.114 177.008 175.800 0.157 0.000 1.110 79 F CA -0.939 57.180 58.000 0.198 0.000 1.130 79 F CB 1.444 40.644 39.000 0.333 0.000 1.129 79 F HN -0.055 nan 8.300 nan 0.000 0.500 80 G N 3.745 112.395 108.800 -0.250 0.000 2.572 80 G HA2 0.179 4.139 3.960 -0.000 0.000 0.216 80 G HA3 0.179 4.139 3.960 -0.000 0.000 0.216 80 G C 0.719 175.237 174.900 -0.636 0.000 1.133 80 G CA 0.405 45.302 45.100 -0.339 0.000 0.791 80 G HN 0.981 nan 8.290 nan 0.000 0.538 81 G N -0.295 107.563 108.800 -1.569 0.000 2.510 81 G HA2 0.521 4.481 3.960 -0.000 0.000 0.280 81 G HA3 0.521 4.481 3.960 -0.000 0.000 0.280 81 G C 0.158 174.790 174.900 -0.447 0.000 1.386 81 G CA 0.012 44.514 45.100 -0.995 0.000 1.047 81 G HN 0.492 nan 8.290 nan 0.000 0.527 82 A N 0.360 123.157 122.820 -0.039 0.000 2.488 82 A HA 0.544 4.863 4.320 -0.000 0.000 0.249 82 A C -2.008 175.778 177.584 0.335 0.000 1.083 82 A CA -0.724 51.388 52.037 0.124 0.000 0.768 82 A CB -0.241 18.845 19.000 0.143 0.000 1.017 82 A HN 0.395 nan 8.150 nan 0.000 0.496 83 P HA 0.305 nan 4.420 nan 0.000 0.268 83 P C -0.649 176.805 177.300 0.256 0.000 1.208 83 P CA 0.385 63.603 63.100 0.198 0.000 0.777 83 P CB 0.217 31.943 31.700 0.042 0.000 0.875 84 F N -0.723 119.318 119.950 0.152 0.000 2.611 84 F HA 0.626 5.152 4.527 -0.000 0.000 0.324 84 F C 1.240 177.074 175.800 0.056 0.000 1.061 84 F CA -1.271 56.780 58.000 0.085 0.000 0.954 84 F CB 1.189 40.214 39.000 0.041 0.000 1.301 84 F HN 0.127 nan 8.300 nan 0.000 0.482 85 K N 0.080 120.611 120.400 0.219 0.000 2.116 85 K HA 0.130 4.450 4.320 -0.000 0.000 0.203 85 K C 0.098 176.796 176.600 0.163 0.000 1.052 85 K CA 0.783 57.141 56.287 0.118 0.000 0.952 85 K CB 0.267 32.824 32.500 0.095 0.000 0.729 85 K HN 0.802 nan 8.250 nan 0.000 0.446 86 R N -0.200 120.481 120.500 0.303 0.000 2.561 86 R HA 0.113 4.453 4.340 -0.000 0.000 0.266 86 R C -1.937 174.549 176.300 0.310 0.000 1.091 86 R CA -0.662 55.606 56.100 0.279 0.000 0.927 86 R CB 0.815 31.194 30.300 0.131 0.000 1.240 86 R HN -0.031 nan 8.270 nan 0.000 0.449 87 F N 5.741 125.798 119.950 0.178 0.000 2.420 87 F HA 0.309 4.836 4.527 -0.000 0.000 0.352 87 F C -0.032 175.723 175.800 -0.075 0.000 1.108 87 F CA -0.353 57.626 58.000 -0.035 0.000 1.162 87 F CB 0.864 39.911 39.000 0.079 0.000 1.118 87 F HN 0.557 nan 8.300 nan 0.000 0.510 88 L N 4.500 125.287 121.223 -0.726 0.000 2.187 88 L HA 0.286 4.626 4.340 -0.000 0.000 0.197 88 L C 0.160 176.698 176.870 -0.552 0.000 1.090 88 L CA 0.217 54.769 54.840 -0.480 0.000 0.781 88 L CB -0.135 41.704 42.059 -0.366 0.000 0.956 88 L HN 0.611 nan 8.230 nan 0.000 0.463 89 R N -1.695 118.298 120.500 -0.845 0.000 2.747 89 R HA 0.710 5.050 4.340 -0.000 0.000 0.272 89 R C -0.478 175.587 176.300 -0.392 0.000 1.032 89 R CA -0.318 55.527 56.100 -0.426 0.000 0.896 89 R CB 0.583 30.772 30.300 -0.185 0.000 1.253 89 R HN 0.170 nan 8.270 nan 0.000 0.461 90 G N -0.156 108.640 108.800 -0.007 0.000 2.582 90 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.222 90 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.222 90 G C -0.890 174.180 174.900 0.282 0.000 1.311 90 G CA -0.465 44.684 45.100 0.082 0.000 0.915 90 G HN 0.710 nan 8.290 nan 0.000 0.528 91 T N 2.471 117.139 114.554 0.191 0.000 2.888 91 T HA 0.479 4.829 4.350 -0.000 0.000 0.301 91 T C 0.825 175.688 174.700 0.271 0.000 1.001 91 T CA 0.530 62.730 62.100 0.167 0.000 1.147 91 T CB 0.237 69.135 68.868 0.050 0.000 0.931 91 T HN 0.756 nan 8.240 nan 0.000 0.541 92 R N 3.322 123.893 120.500 0.119 0.000 2.589 92 R HA 0.662 5.002 4.340 -0.000 0.000 0.293 92 R C -0.958 175.349 176.300 0.012 0.000 0.963 92 R CA -0.853 55.227 56.100 -0.033 0.000 0.905 92 R CB 1.449 31.464 30.300 -0.475 0.000 1.144 92 R HN 0.617 nan 8.270 nan 0.000 0.459 93 I N 2.192 122.799 120.570 0.062 0.000 2.493 93 I HA 0.477 4.647 4.170 -0.000 0.000 0.298 93 I C -1.053 175.125 176.117 0.101 0.000 0.998 93 I CA -1.115 60.252 61.300 0.111 0.000 1.137 93 I CB 2.005 40.123 38.000 0.197 0.000 1.310 93 I HN 0.460 nan 8.210 nan 0.000 0.445 94 V N 5.245 125.217 119.914 0.097 0.000 3.160 94 V HA 0.503 4.623 4.120 -0.000 0.000 0.310 94 V C -0.198 175.946 176.094 0.084 0.000 1.181 94 V CA -0.369 61.975 62.300 0.074 0.000 1.047 94 V CB 2.749 34.597 31.823 0.043 0.000 1.068 94 V HN 0.895 nan 8.190 nan 0.000 0.441 95 S N 1.430 117.168 115.700 0.063 0.000 2.600 95 S HA 0.326 4.796 4.470 -0.000 0.000 0.265 95 S C 1.311 175.940 174.600 0.049 0.000 1.325 95 S CA 0.273 58.505 58.200 0.054 0.000 1.002 95 S CB 1.159 64.383 63.200 0.040 0.000 0.921 95 S HN 1.344 nan 8.310 nan 0.000 0.554 96 G N 1.316 110.138 108.800 0.036 0.000 2.514 96 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 96 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 96 G C 1.417 176.343 174.900 0.044 0.000 1.198 96 G CA 0.692 45.813 45.100 0.035 0.000 0.780 96 G HN 1.063 nan 8.290 nan 0.000 0.565 97 G N 0.694 109.515 108.800 0.035 0.000 2.440 97 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 97 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 97 G C 1.749 176.671 174.900 0.037 0.000 1.154 97 G CA 1.533 46.654 45.100 0.034 0.000 0.767 97 G HN 0.579 nan 8.290 nan 0.000 0.552 98 K N -0.058 120.364 120.400 0.036 0.000 2.063 98 K HA -0.037 4.283 4.320 -0.000 0.000 0.208 98 K C 2.295 178.922 176.600 0.044 0.000 1.048 98 K CA 1.221 57.528 56.287 0.033 0.000 0.928 98 K CB -0.496 32.021 32.500 0.029 0.000 0.713 98 K HN 0.245 nan 8.250 nan 0.000 0.442 99 L N 1.280 122.539 121.223 0.061 0.000 2.027 99 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 99 L C 1.726 178.652 176.870 0.093 0.000 1.074 99 L CA 1.835 56.728 54.840 0.088 0.000 0.745 99 L CB -0.457 41.670 42.059 0.114 0.000 0.898 99 L HN 0.129 nan 8.230 nan 0.000 0.433 100 K N -0.793 119.658 120.400 0.085 0.000 2.160 100 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 100 K C 2.191 178.821 176.600 0.049 0.000 1.047 100 K CA 1.680 58.013 56.287 0.077 0.000 0.930 100 K CB -0.194 32.345 32.500 0.064 0.000 0.720 100 K HN 0.366 nan 8.250 nan 0.000 0.450 101 R N 0.068 120.592 120.500 0.040 0.000 2.093 101 R HA 0.058 4.398 4.340 -0.000 0.000 0.224 101 R C 2.349 178.661 176.300 0.020 0.000 1.101 101 R CA 1.083 57.198 56.100 0.025 0.000 0.979 101 R CB -0.114 30.199 30.300 0.021 0.000 0.877 101 R HN 0.197 nan 8.270 nan 0.000 0.441 102 M N 0.066 119.683 119.600 0.028 0.000 2.086 102 M HA -0.128 4.351 4.480 -0.000 0.000 0.261 102 M C 2.304 178.611 176.300 0.011 0.000 1.067 102 M CA 2.143 57.457 55.300 0.022 0.000 1.116 102 M CB -0.366 32.255 32.600 0.035 0.000 1.348 102 M HN 0.228 nan 8.290 nan 0.000 0.407 103 T N -2.124 112.439 114.554 0.015 0.000 3.067 103 T HA 0.026 4.375 4.350 -0.000 0.000 0.261 103 T C 0.989 175.658 174.700 -0.052 0.000 1.110 103 T CA -0.098 61.978 62.100 -0.039 0.000 1.113 103 T CB -0.200 68.623 68.868 -0.075 0.000 0.917 103 T HN 0.248 nan 8.240 nan 0.000 0.499 104 R N 1.530 122.019 120.500 -0.018 0.000 2.585 104 R HA 0.195 4.535 4.340 -0.000 0.000 0.275 104 R C -0.352 175.934 176.300 -0.023 0.000 1.018 104 R CA 0.482 56.572 56.100 -0.017 0.000 1.072 104 R CB 0.301 30.602 30.300 0.001 0.000 0.953 104 R HN 0.516 nan 8.270 nan 0.000 0.419 105 E N 1.898 122.082 120.200 -0.026 0.000 2.410 105 E HA 0.154 4.504 4.350 -0.000 0.000 0.269 105 E C 0.179 176.770 176.600 -0.016 0.000 0.937 105 E CA -0.931 55.454 56.400 -0.025 0.000 0.793 105 E CB 1.686 31.365 29.700 -0.036 0.000 1.314 105 E HN 0.529 nan 8.360 nan 0.000 0.447 106 K N 0.070 120.462 120.400 -0.014 0.000 2.002 106 K HA 0.013 4.333 4.320 -0.000 0.000 0.209 106 K C 0.963 177.557 176.600 -0.009 0.000 1.048 106 K CA 0.849 57.130 56.287 -0.010 0.000 0.930 106 K CB -0.465 32.029 32.500 -0.010 0.000 0.714 106 K HN 0.383 nan 8.250 nan 0.000 0.438 107 A N 2.279 125.092 122.820 -0.011 0.000 2.386 107 A HA 0.100 4.420 4.320 -0.000 0.000 0.246 107 A C -0.189 177.391 177.584 -0.006 0.000 1.089 107 A CA -0.259 51.773 52.037 -0.009 0.000 0.790 107 A CB 0.057 19.051 19.000 -0.011 0.000 1.042 107 A HN 0.245 nan 8.150 nan 0.000 0.497 108 K N 0.779 121.178 120.400 -0.001 0.000 2.436 108 K HA 0.190 4.510 4.320 -0.000 0.000 0.275 108 K C -0.136 176.468 176.600 0.007 0.000 0.999 108 K CA 0.625 56.912 56.287 0.001 0.000 0.980 108 K CB 0.273 32.773 32.500 0.001 0.000 0.919 108 K HN 0.737 nan 8.250 nan 0.000 0.484 109 Q N 0.442 120.246 119.800 0.006 0.000 2.484 109 Q HA 0.431 4.771 4.340 -0.000 0.000 0.285 109 Q C -0.837 175.174 176.000 0.020 0.000 1.097 109 Q CA -1.094 54.719 55.803 0.016 0.000 0.802 109 Q CB 2.232 30.967 28.738 -0.005 0.000 1.444 109 Q HN 0.477 nan 8.270 nan 0.000 0.429 110 V N -1.974 117.967 119.914 0.045 0.000 2.973 110 V HA 0.836 4.956 4.120 -0.000 0.000 0.314 110 V C -0.141 175.979 176.094 0.044 0.000 1.066 110 V CA -0.530 61.781 62.300 0.019 0.000 1.021 110 V CB 1.433 33.262 31.823 0.011 0.000 1.076 110 V HN 0.925 nan 8.190 nan 0.000 0.462 111 T N -0.498 114.087 114.554 0.051 0.000 2.887 111 T HA 0.757 5.107 4.350 -0.000 0.000 0.288 111 T C -0.740 174.045 174.700 0.142 0.000 1.021 111 T CA -0.703 61.462 62.100 0.107 0.000 1.000 111 T CB 1.601 70.532 68.868 0.104 0.000 1.034 111 T HN 0.837 nan 8.240 nan 0.000 0.467 112 V N 2.405 122.449 119.914 0.218 0.000 2.325 112 V HA 0.653 4.772 4.120 -0.000 0.000 0.280 112 V C 0.828 177.009 176.094 0.144 0.000 1.016 112 V CA -0.154 62.267 62.300 0.202 0.000 0.818 112 V CB -0.010 31.994 31.823 0.302 0.000 1.019 112 V HN 1.622 nan 8.190 nan 0.000 0.434 113 A N 3.983 126.865 122.820 0.104 0.000 2.872 113 A HA 0.016 4.336 4.320 -0.000 0.000 0.273 113 A C 1.782 179.414 177.584 0.080 0.000 1.442 113 A CA 1.329 53.410 52.037 0.073 0.000 0.801 113 A CB -1.543 17.478 19.000 0.035 0.000 1.031 113 A HN 2.518 nan 8.150 nan 0.000 0.582 114 G N -3.845 105.015 108.800 0.101 0.000 2.225 114 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.254 114 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.254 114 G C 0.398 175.364 174.900 0.111 0.000 0.988 114 G CA 0.423 45.580 45.100 0.094 0.000 0.625 114 G HN 1.859 nan 8.290 nan 0.000 0.527 115 V N 3.746 123.753 119.914 0.156 0.000 2.406 115 V HA 0.453 4.573 4.120 -0.000 0.000 0.272 115 V C -1.414 174.817 176.094 0.228 0.000 1.043 115 V CA -1.505 60.924 62.300 0.215 0.000 0.915 115 V CB 1.458 33.472 31.823 0.319 0.000 0.988 115 V HN 0.244 nan 8.190 nan 0.000 0.466 116 P HA 0.055 nan 4.420 nan 0.000 0.267 116 P C -0.446 176.785 177.300 -0.115 0.000 1.209 116 P CA -0.103 63.015 63.100 0.031 0.000 0.763 116 P CB 0.709 32.411 31.700 0.003 0.000 0.816 117 M N 6.071 125.581 119.600 -0.151 0.000 2.146 117 M HA 0.331 4.811 4.480 -0.000 0.000 0.357 117 M C -2.394 173.679 176.300 -0.378 0.000 1.261 117 M CA -2.398 52.610 55.300 -0.488 0.000 1.106 117 M CB 0.946 33.490 32.600 -0.093 0.000 1.612 117 M HN 0.072 nan 8.290 nan 0.000 0.470 118 P HA -0.011 nan 4.420 nan 0.000 0.260 118 P C -0.309 176.894 177.300 -0.163 0.000 1.172 118 P CA 0.435 63.366 63.100 -0.281 0.000 0.760 118 P CB 0.329 31.858 31.700 -0.285 0.000 0.773 119 R N 2.773 123.214 120.500 -0.099 0.000 2.139 119 R HA -0.208 4.132 4.340 -0.000 0.000 0.243 119 R C 1.400 177.655 176.300 -0.074 0.000 1.145 119 R CA 2.190 58.253 56.100 -0.061 0.000 0.976 119 R CB -0.467 29.807 30.300 -0.044 0.000 0.866 119 R HN 0.653 nan 8.270 nan 0.000 0.449 120 D N -0.502 119.850 120.400 -0.081 0.000 2.312 120 D HA -0.068 4.571 4.640 -0.000 0.000 0.211 120 D C 1.422 177.668 176.300 -0.090 0.000 0.964 120 D CA 0.915 54.866 54.000 -0.082 0.000 0.877 120 D CB 0.061 40.821 40.800 -0.066 0.000 0.924 120 D HN 0.164 nan 8.370 nan 0.000 0.515 121 A N 0.262 123.032 122.820 -0.083 0.000 2.169 121 A HA -0.010 4.310 4.320 -0.000 0.000 0.212 121 A C 1.936 179.488 177.584 -0.053 0.000 1.153 121 A CA 0.380 52.388 52.037 -0.049 0.000 0.756 121 A CB -0.387 18.604 19.000 -0.014 0.000 0.813 121 A HN 0.188 nan 8.150 nan 0.000 0.471 122 E N 0.372 120.525 120.200 -0.079 0.000 2.038 122 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 122 E C -0.795 175.628 176.600 -0.295 0.000 1.000 122 E CA 1.447 57.773 56.400 -0.123 0.000 0.803 122 E CB -0.693 28.929 29.700 -0.129 0.000 0.750 122 E HN 0.522 nan 8.360 nan 0.000 0.448 123 P HA -0.004 nan 4.420 nan 0.000 0.249 123 P C 0.382 177.259 177.300 -0.705 0.000 1.241 123 P CA 0.629 63.472 63.100 -0.428 0.000 0.781 123 P CB 0.340 31.869 31.700 -0.286 0.000 1.088 124 R N -0.775 119.388 120.500 -0.561 0.000 2.362 124 R HA 0.131 4.471 4.340 -0.000 0.000 0.227 124 R C 0.261 176.271 176.300 -0.484 0.000 0.905 124 R CA -0.295 55.494 56.100 -0.518 0.000 1.067 124 R CB -0.798 29.387 30.300 -0.190 0.000 1.078 124 R HN 0.354 nan 8.270 nan 0.000 0.516 125 H N -0.925 118.128 119.070 -0.029 0.000 4.671 125 H HA -0.223 4.333 4.556 -0.000 0.000 0.255 125 H C -0.655 174.829 175.328 0.259 0.000 0.534 125 H CA 0.396 56.488 56.048 0.073 0.000 0.679 125 H CB -0.822 28.879 29.762 -0.102 0.000 0.930 125 H HN 0.104 nan 8.280 nan 0.000 0.302 126 L N 1.149 122.686 121.223 0.523 0.000 2.436 126 L HA 0.577 4.917 4.340 -0.000 0.000 0.268 126 L C -1.499 175.484 176.870 0.188 0.000 0.974 126 L CA -0.777 54.273 54.840 0.350 0.000 0.826 126 L CB 1.707 43.928 42.059 0.271 0.000 1.291 126 L HN 0.514 nan 8.230 nan 0.000 0.406 127 L N 5.775 126.993 121.223 -0.008 0.000 2.313 127 L HA 0.677 5.017 4.340 -0.000 0.000 0.283 127 L C -1.131 175.663 176.870 -0.127 0.000 1.013 127 L CA -0.308 54.352 54.840 -0.300 0.000 0.816 127 L CB 1.879 43.669 42.059 -0.448 0.000 1.236 127 L HN 0.426 nan 8.230 nan 0.000 0.419 128 V N 5.571 125.419 119.914 -0.110 0.000 2.311 128 V HA 0.447 4.567 4.120 -0.000 0.000 0.275 128 V C -0.044 176.023 176.094 -0.045 0.000 1.022 128 V CA -0.675 61.600 62.300 -0.041 0.000 0.830 128 V CB 0.884 32.710 31.823 0.006 0.000 1.012 128 V HN 0.762 nan 8.190 nan 0.000 0.452 129 N N 3.491 122.170 118.700 -0.034 0.000 2.400 129 N HA 0.753 5.493 4.740 -0.000 0.000 0.288 129 N C -0.188 175.324 175.510 0.003 0.000 1.024 129 N CA 0.219 53.254 53.050 -0.024 0.000 0.894 129 N CB 2.285 40.754 38.487 -0.030 0.000 1.173 129 N HN 0.861 nan 8.380 nan 0.000 0.487 130 G N 0.462 109.266 108.800 0.008 0.000 2.411 130 G HA2 0.524 4.484 3.960 -0.000 0.000 0.295 130 G HA3 0.524 4.484 3.960 -0.000 0.000 0.295 130 G C -1.331 173.580 174.900 0.018 0.000 1.542 130 G CA -0.382 44.729 45.100 0.018 0.000 0.814 130 G HN 0.662 nan 8.290 nan 0.000 0.557 131 A N 0.159 122.991 122.820 0.020 0.000 2.366 131 A HA 0.704 5.024 4.320 -0.000 0.000 0.250 131 A C 1.114 178.710 177.584 0.020 0.000 1.099 131 A CA 0.797 52.846 52.037 0.019 0.000 0.794 131 A CB 0.316 19.327 19.000 0.018 0.000 1.056 131 A HN 1.894 nan 8.150 nan 0.000 0.499 132 T N -0.545 114.021 114.554 0.019 0.000 2.888 132 T HA 0.431 4.781 4.350 -0.000 0.000 0.301 132 T C 1.276 175.986 174.700 0.016 0.000 1.001 132 T CA 1.397 63.509 62.100 0.020 0.000 1.147 132 T CB -0.258 68.622 68.868 0.019 0.000 0.931 132 T HN 2.379 nan 8.240 nan 0.000 0.541 133 G N 3.249 112.058 108.800 0.017 0.000 2.157 133 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.248 133 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.248 133 G C 0.895 175.803 174.900 0.014 0.000 0.979 133 G CA 0.975 46.083 45.100 0.013 0.000 0.650 133 G HN 1.306 nan 8.290 nan 0.000 0.529 134 T N -2.514 112.051 114.554 0.017 0.000 3.067 134 T HA 0.442 4.792 4.350 -0.000 0.000 0.261 134 T C 2.067 176.777 174.700 0.018 0.000 1.110 134 T CA 1.675 63.785 62.100 0.016 0.000 1.113 134 T CB 0.452 69.331 68.868 0.018 0.000 0.917 134 T HN 2.116 nan 8.240 nan 0.000 0.499 135 G N 1.041 109.855 108.800 0.024 0.000 2.200 135 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.145 135 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.145 135 G C 0.785 175.710 174.900 0.041 0.000 1.021 135 G CA 0.066 45.185 45.100 0.031 0.000 0.720 135 G HN 0.380 nan 8.290 nan 0.000 0.494 136 K N 0.732 121.156 120.400 0.041 0.000 2.113 136 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 136 K C 2.470 179.110 176.600 0.066 0.000 1.047 136 K CA 1.724 58.042 56.287 0.053 0.000 0.928 136 K CB -0.192 32.338 32.500 0.050 0.000 0.716 136 K HN 0.361 nan 8.250 nan 0.000 0.446 137 S N 0.877 116.611 115.700 0.056 0.000 2.355 137 S HA -0.087 4.383 4.470 -0.000 0.000 0.222 137 S C 2.203 176.844 174.600 0.069 0.000 1.031 137 S CA 1.051 59.284 58.200 0.055 0.000 0.993 137 S CB -0.227 62.994 63.200 0.035 0.000 0.859 137 S HN 0.033 nan 8.310 nan 0.000 0.453 138 V N 2.240 122.199 119.914 0.075 0.000 2.380 138 V HA -0.191 3.929 4.120 -0.000 0.000 0.251 138 V C 2.163 178.327 176.094 0.116 0.000 1.063 138 V CA 1.719 64.082 62.300 0.105 0.000 1.055 138 V CB -0.653 31.221 31.823 0.084 0.000 0.657 138 V HN 0.410 nan 8.190 nan 0.000 0.455 139 L N -1.138 120.141 121.223 0.094 0.000 2.023 139 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 139 L C 2.291 179.228 176.870 0.111 0.000 1.073 139 L CA 1.422 56.321 54.840 0.098 0.000 0.745 139 L CB -0.112 41.995 42.059 0.081 0.000 0.900 139 L HN 0.203 nan 8.230 nan 0.000 0.435 140 L N 0.024 121.319 121.223 0.120 0.000 2.201 140 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 140 L C 2.679 179.558 176.870 0.015 0.000 1.105 140 L CA 1.501 56.440 54.840 0.166 0.000 0.775 140 L CB -0.728 41.453 42.059 0.204 0.000 0.913 140 L HN 0.228 nan 8.230 nan 0.000 0.440 141 R N -0.397 120.112 120.500 0.014 0.000 2.073 141 R HA -0.184 4.156 4.340 -0.000 0.000 0.229 141 R C 2.276 178.540 176.300 -0.060 0.000 1.120 141 R CA 1.479 57.559 56.100 -0.033 0.000 0.967 141 R CB -0.064 30.243 30.300 0.012 0.000 0.862 141 R HN 0.490 nan 8.270 nan 0.000 0.436 142 E N 0.447 120.705 120.200 0.096 0.000 2.072 142 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 142 E C 2.034 178.678 176.600 0.074 0.000 0.985 142 E CA 0.970 57.485 56.400 0.192 0.000 0.801 142 E CB -0.119 29.701 29.700 0.200 0.000 0.750 142 E HN 0.365 nan 8.360 nan 0.000 0.452 143 L N 0.484 121.712 121.223 0.009 0.000 1.989 143 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 143 L C 2.671 179.388 176.870 -0.255 0.000 1.071 143 L CA 1.406 56.198 54.840 -0.079 0.000 0.749 143 L CB -0.481 41.595 42.059 0.028 0.000 0.890 143 L HN 0.314 nan 8.230 nan 0.000 0.431 144 A N -0.955 121.643 122.820 -0.369 0.000 1.908 144 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 144 A C 2.120 179.293 177.584 -0.684 0.000 1.181 144 A CA 1.977 53.595 52.037 -0.699 0.000 0.627 144 A CB -1.039 17.327 19.000 -1.057 0.000 0.818 144 A HN 0.566 nan 8.150 nan 0.000 0.445 145 Y N 1.892 121.725 120.300 -0.778 0.000 2.070 145 Y HA -0.248 4.302 4.550 -0.000 0.000 0.280 145 Y C 2.932 178.701 175.900 -0.218 0.000 1.148 145 Y CA 2.656 60.451 58.100 -0.509 0.000 1.125 145 Y CB -1.081 37.320 38.460 -0.098 0.000 0.975 145 Y HN 0.445 nan 8.280 nan 0.000 0.492 146 T N -2.510 111.854 114.554 -0.316 0.000 2.881 146 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 146 T C 2.161 176.700 174.700 -0.269 0.000 1.068 146 T CA 1.249 63.153 62.100 -0.328 0.000 1.131 146 T CB -1.248 67.547 68.868 -0.121 0.000 0.871 146 T HN 0.418 nan 8.240 nan 0.000 0.479 147 G N 1.084 109.705 108.800 -0.299 0.000 2.430 147 G HA2 0.107 4.067 3.960 -0.000 0.000 0.216 147 G HA3 0.107 4.067 3.960 -0.000 0.000 0.216 147 G C 1.499 176.311 174.900 -0.146 0.000 1.146 147 G CA 0.360 45.322 45.100 -0.230 0.000 0.793 147 G HN 0.514 nan 8.290 nan 0.000 0.537 148 L N -0.001 121.087 121.223 -0.225 0.000 2.072 148 L HA 0.081 4.421 4.340 -0.000 0.000 0.205 148 L C 2.796 179.594 176.870 -0.121 0.000 1.079 148 L CA 0.439 55.196 54.840 -0.138 0.000 0.752 148 L CB -0.391 41.578 42.059 -0.149 0.000 0.906 148 L HN 0.140 nan 8.230 nan 0.000 0.436 149 L N -0.329 120.753 121.223 -0.236 0.000 2.187 149 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 149 L C 2.651 179.459 176.870 -0.104 0.000 1.100 149 L CA 1.180 55.898 54.840 -0.204 0.000 0.765 149 L CB -0.435 41.411 42.059 -0.354 0.000 0.904 149 L HN 0.270 nan 8.230 nan 0.000 0.437 150 R N -0.055 120.395 120.500 -0.084 0.000 2.276 150 R HA 0.028 4.368 4.340 -0.000 0.000 0.196 150 R C 1.162 177.466 176.300 0.007 0.000 0.961 150 R CA 0.693 56.779 56.100 -0.024 0.000 1.024 150 R CB 0.264 30.567 30.300 0.006 0.000 0.940 150 R HN 0.360 nan 8.270 nan 0.000 0.480 151 G N 1.291 110.094 108.800 0.006 0.000 2.132 151 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.234 151 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.234 151 G C -0.751 174.184 174.900 0.059 0.000 0.989 151 G CA 0.156 45.273 45.100 0.028 0.000 0.676 151 G HN 0.387 nan 8.290 nan 0.000 0.522 152 D N 0.040 120.500 120.400 0.101 0.000 2.344 152 D HA 0.476 5.116 4.640 -0.000 0.000 0.244 152 D C 1.079 177.482 176.300 0.172 0.000 1.134 152 D CA -0.036 54.073 54.000 0.182 0.000 0.930 152 D CB 0.808 41.851 40.800 0.404 0.000 1.175 152 D HN 0.394 nan 8.370 nan 0.000 0.437 153 R N 0.234 120.836 120.500 0.169 0.000 2.596 153 R HA 0.742 5.082 4.340 -0.000 0.000 0.267 153 R C 0.089 176.546 176.300 0.262 0.000 1.026 153 R CA -0.637 55.550 56.100 0.145 0.000 1.087 153 R CB 1.151 31.462 30.300 0.018 0.000 1.132 153 R HN 0.484 nan 8.270 nan 0.000 0.531 154 M N -1.269 118.485 119.600 0.257 0.000 2.562 154 M HA 0.372 4.852 4.480 -0.000 0.000 0.281 154 M C -1.488 174.965 176.300 0.256 0.000 1.195 154 M CA -1.158 54.334 55.300 0.319 0.000 0.888 154 M CB 1.894 34.700 32.600 0.343 0.000 1.731 154 M HN 0.154 nan 8.290 nan 0.000 0.493 155 V N 2.960 123.043 119.914 0.282 0.000 2.384 155 V HA 0.566 4.686 4.120 -0.000 0.000 0.287 155 V C -0.550 175.625 176.094 0.135 0.000 1.020 155 V CA -0.385 62.002 62.300 0.146 0.000 0.850 155 V CB 1.724 33.669 31.823 0.203 0.000 0.987 155 V HN 0.705 nan 8.190 nan 0.000 0.436 156 I N 5.127 125.667 120.570 -0.051 0.000 2.382 156 I HA 0.309 4.479 4.170 -0.000 0.000 0.285 156 I C -0.146 176.057 176.117 0.143 0.000 1.007 156 I CA -0.787 60.532 61.300 0.033 0.000 1.142 156 I CB 2.036 39.912 38.000 -0.207 0.000 1.289 156 I HN 0.268 nan 8.210 nan 0.000 0.453 157 V N 5.201 125.264 119.914 0.250 0.000 2.359 157 V HA -0.017 4.103 4.120 -0.000 0.000 0.248 157 V C 0.011 176.313 176.094 0.347 0.000 1.091 157 V CA 0.317 62.828 62.300 0.352 0.000 1.103 157 V CB 0.068 32.096 31.823 0.342 0.000 1.176 157 V HN 0.627 nan 8.190 nan 0.000 0.488 158 D N 7.287 127.863 120.400 0.294 0.000 2.473 158 D HA 0.357 4.997 4.640 -0.000 0.000 0.226 158 D C -2.673 173.438 176.300 -0.315 0.000 1.089 158 D CA -2.191 51.854 54.000 0.075 0.000 0.883 158 D CB 1.625 42.526 40.800 0.170 0.000 1.029 158 D HN 0.250 nan 8.370 nan 0.000 0.517 159 P HA 0.123 nan 4.420 nan 0.000 0.267 159 P C -0.255 176.649 177.300 -0.659 0.000 1.205 159 P CA -0.060 62.363 63.100 -1.129 0.000 0.765 159 P CB 0.413 31.750 31.700 -0.605 0.000 0.828 160 N N 2.624 120.886 118.700 -0.730 0.000 2.714 160 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 160 N C 0.888 176.240 175.510 -0.263 0.000 1.117 160 N CA 1.538 54.336 53.050 -0.420 0.000 0.719 160 N CB -1.805 36.498 38.487 -0.306 0.000 1.081 160 N HN 0.874 nan 8.380 nan 0.000 0.557 161 G N 0.267 108.924 108.800 -0.239 0.000 2.337 161 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.290 161 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.290 161 G C 0.745 175.568 174.900 -0.128 0.000 1.003 161 G CA 1.460 46.484 45.100 -0.126 0.000 0.825 161 G HN 0.655 nan 8.290 nan 0.000 0.509 162 D N -0.315 120.003 120.400 -0.136 0.000 2.087 162 D HA -0.156 4.484 4.640 -0.000 0.000 0.192 162 D C 2.605 178.827 176.300 -0.130 0.000 0.993 162 D CA 1.811 55.735 54.000 -0.128 0.000 0.828 162 D CB -0.109 40.623 40.800 -0.113 0.000 0.968 162 D HN 0.277 nan 8.370 nan 0.000 0.448 163 M N -0.169 119.413 119.600 -0.030 0.000 2.149 163 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 163 M C 2.321 178.671 176.300 0.083 0.000 1.064 163 M CA 0.822 56.188 55.300 0.111 0.000 1.102 163 M CB -1.159 31.603 32.600 0.271 0.000 1.369 163 M HN 0.270 nan 8.290 nan 0.000 0.408 164 L N 0.763 121.922 121.223 -0.107 0.000 2.046 164 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 164 L C 2.618 179.214 176.870 -0.456 0.000 1.077 164 L CA 2.390 56.822 54.840 -0.680 0.000 0.747 164 L CB -0.905 40.816 42.059 -0.563 0.000 0.896 164 L HN 0.436 nan 8.230 nan 0.000 0.432 165 S N -1.765 113.759 115.700 -0.294 0.000 2.474 165 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 165 S C 1.809 176.238 174.600 -0.285 0.000 0.997 165 S CA 0.596 58.649 58.200 -0.244 0.000 0.949 165 S CB -0.371 62.722 63.200 -0.178 0.000 0.766 165 S HN 0.479 nan 8.310 nan 0.000 0.517 166 K N 0.077 120.216 120.400 -0.434 0.000 2.244 166 K HA 0.280 4.600 4.320 -0.000 0.000 0.200 166 K C 0.677 176.876 176.600 -0.668 0.000 1.052 166 K CA 0.626 56.508 56.287 -0.675 0.000 0.980 166 K CB -0.221 31.554 32.500 -1.209 0.000 0.838 166 K HN 0.555 nan 8.250 nan 0.000 0.481 167 F N 0.583 120.498 119.950 -0.059 0.000 2.728 167 F HA 0.302 4.829 4.527 -0.000 0.000 0.314 167 F C 1.236 177.079 175.800 0.072 0.000 1.094 167 F CA -0.909 57.117 58.000 0.043 0.000 1.217 167 F CB -0.247 38.814 39.000 0.102 0.000 1.056 167 F HN -0.178 nan 8.300 nan 0.000 0.577 168 G N 1.620 110.392 108.800 -0.046 0.000 2.343 168 G HA2 0.409 4.369 3.960 -0.000 0.000 0.254 168 G HA3 0.409 4.369 3.960 -0.000 0.000 0.254 168 G C 0.087 174.975 174.900 -0.021 0.000 1.277 168 G CA -0.273 44.713 45.100 -0.190 0.000 0.909 168 G HN 0.135 nan 8.290 nan 0.000 0.502 169 R N 1.228 121.780 120.500 0.087 0.000 2.602 169 R HA 0.323 4.663 4.340 -0.000 0.000 0.237 169 R C 0.890 177.218 176.300 0.046 0.000 1.219 169 R CA -0.791 55.354 56.100 0.075 0.000 1.121 169 R CB 0.859 31.229 30.300 0.116 0.000 1.408 169 R HN 0.453 nan 8.270 nan 0.000 0.559 170 D N 0.990 121.416 120.400 0.043 0.000 2.224 170 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 170 D C 1.021 177.352 176.300 0.051 0.000 0.965 170 D CA 1.276 55.294 54.000 0.029 0.000 0.852 170 D CB 0.204 41.019 40.800 0.024 0.000 0.947 170 D HN 0.460 nan 8.370 nan 0.000 0.494 171 K N 0.786 121.236 120.400 0.084 0.000 2.459 171 K HA 0.018 4.338 4.320 -0.000 0.000 0.193 171 K C 0.172 176.868 176.600 0.160 0.000 1.030 171 K CA 0.153 56.507 56.287 0.112 0.000 1.026 171 K CB 0.267 32.837 32.500 0.117 0.000 0.809 171 K HN -0.128 nan 8.250 nan 0.000 0.504 172 D N 1.676 122.179 120.400 0.171 0.000 2.372 172 D HA 0.129 4.769 4.640 -0.000 0.000 0.243 172 D C 0.271 176.655 176.300 0.141 0.000 1.121 172 D CA -0.190 53.959 54.000 0.248 0.000 0.898 172 D CB 0.867 41.895 40.800 0.379 0.000 1.202 172 D HN -0.034 nan 8.370 nan 0.000 0.428 173 I N 1.659 122.290 120.570 0.101 0.000 2.577 173 I HA 0.340 4.510 4.170 -0.000 0.000 0.300 173 I C 0.568 176.603 176.117 -0.137 0.000 0.990 173 I CA -0.404 60.794 61.300 -0.171 0.000 1.283 173 I CB 0.721 38.415 38.000 -0.511 0.000 1.411 173 I HN 0.185 nan 8.210 nan 0.000 0.515 174 I N 5.734 126.150 120.570 -0.258 0.000 2.533 174 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 174 I C -0.812 175.107 176.117 -0.331 0.000 1.056 174 I CA -0.514 60.674 61.300 -0.186 0.000 1.057 174 I CB 2.414 40.348 38.000 -0.110 0.000 1.240 174 I HN 0.227 nan 8.210 nan 0.000 0.423 175 L N 6.472 127.478 121.223 -0.362 0.000 2.353 175 L HA 0.505 4.845 4.340 -0.000 0.000 0.270 175 L C -0.730 176.010 176.870 -0.217 0.000 1.003 175 L CA -0.281 54.203 54.840 -0.593 0.000 0.862 175 L CB 1.017 42.264 42.059 -1.355 0.000 1.221 175 L HN 0.538 nan 8.230 nan 0.000 0.430 176 N N 5.095 123.813 118.700 0.029 0.000 2.616 176 N HA 0.224 4.964 4.740 -0.000 0.000 0.281 176 N C -2.303 173.341 175.510 0.223 0.000 1.145 176 N CA -1.174 52.038 53.050 0.271 0.000 0.919 176 N CB 2.726 41.386 38.487 0.288 0.000 1.509 176 N HN 0.086 nan 8.380 nan 0.000 0.537 177 P HA -0.074 nan 4.420 nan 0.000 0.223 177 P C 0.105 177.187 177.300 -0.363 0.000 1.144 177 P CA 1.161 64.198 63.100 -0.105 0.000 0.783 177 P CB 0.079 31.639 31.700 -0.235 0.000 0.771 178 Y N -1.085 119.348 120.300 0.221 0.000 2.636 178 Y HA 0.311 4.861 4.550 -0.000 0.000 0.260 178 Y C 0.749 176.816 175.900 0.279 0.000 1.177 178 Y CA -0.733 57.516 58.100 0.248 0.000 1.209 178 Y CB 0.173 38.814 38.460 0.302 0.000 1.166 178 Y HN -0.079 nan 8.280 nan 0.000 0.531 179 D N 0.501 121.065 120.400 0.274 0.000 2.308 179 D HA 0.062 4.702 4.640 -0.000 0.000 0.242 179 D C 0.906 177.195 176.300 -0.019 0.000 1.059 179 D CA -0.147 53.916 54.000 0.104 0.000 0.830 179 D CB 1.929 42.841 40.800 0.187 0.000 1.161 179 D HN 0.075 nan 8.370 nan 0.000 0.494 180 Q N 3.310 123.045 119.800 -0.109 0.000 2.173 180 Q HA -0.204 4.136 4.340 -0.000 0.000 0.208 180 Q C 1.384 177.343 176.000 -0.068 0.000 0.989 180 Q CA 1.856 57.605 55.803 -0.089 0.000 0.872 180 Q CB 0.120 28.785 28.738 -0.121 0.000 0.909 180 Q HN 0.466 nan 8.270 nan 0.000 0.420 181 R N -0.454 120.000 120.500 -0.076 0.000 2.313 181 R HA 0.090 4.430 4.340 -0.000 0.000 0.199 181 R C 0.703 176.953 176.300 -0.084 0.000 0.958 181 R CA 0.525 56.581 56.100 -0.074 0.000 1.047 181 R CB -0.258 29.992 30.300 -0.083 0.000 0.955 181 R HN 0.094 nan 8.270 nan 0.000 0.481 182 T N 1.081 115.594 114.554 -0.068 0.000 2.855 182 T HA 0.016 4.366 4.350 -0.000 0.000 0.314 182 T C 0.213 174.841 174.700 -0.119 0.000 1.077 182 T CA -0.034 62.008 62.100 -0.098 0.000 1.095 182 T CB 0.498 69.344 68.868 -0.037 0.000 0.987 182 T HN -0.080 nan 8.240 nan 0.000 0.546 183 K N 2.025 122.301 120.400 -0.207 0.000 2.087 183 K HA 0.467 4.787 4.320 -0.000 0.000 0.255 183 K C 0.485 177.095 176.600 0.016 0.000 0.988 183 K CA -0.545 55.636 56.287 -0.176 0.000 0.915 183 K CB 1.089 33.275 32.500 -0.524 0.000 1.043 183 K HN 0.774 nan 8.250 nan 0.000 0.457 184 G N 0.475 109.347 108.800 0.120 0.000 2.390 184 G HA2 0.327 4.286 3.960 -0.000 0.000 0.270 184 G HA3 0.327 4.286 3.960 -0.000 0.000 0.270 184 G C -1.372 173.754 174.900 0.377 0.000 1.211 184 G CA -0.332 44.889 45.100 0.201 0.000 0.842 184 G HN 0.585 nan 8.290 nan 0.000 0.519 185 W N 1.634 123.055 121.300 0.201 0.000 3.167 185 W HA 0.617 5.277 4.660 -0.000 0.000 0.324 185 W C -0.626 176.071 176.519 0.296 0.000 1.230 185 W CA -0.791 56.722 57.345 0.280 0.000 1.184 185 W CB 2.196 31.884 29.460 0.379 0.000 1.414 185 W HN 0.815 nan 8.180 nan 0.000 0.551 186 S N 3.838 119.032 115.700 -0.844 0.000 2.537 186 S HA 0.282 4.752 4.470 -0.000 0.000 0.271 186 S C 0.096 173.721 174.600 -1.624 0.000 1.148 186 S CA -0.386 57.299 58.200 -0.858 0.000 0.868 186 S CB 0.240 63.306 63.200 -0.224 0.000 1.115 186 S HN 0.944 nan 8.310 nan 0.000 0.461 187 F N 2.574 121.735 119.950 -1.316 0.000 2.408 187 F HA 0.207 4.734 4.527 -0.000 0.000 0.300 187 F C 1.159 176.652 175.800 -0.511 0.000 1.090 187 F CA 0.573 58.108 58.000 -0.774 0.000 1.427 187 F CB -0.743 38.108 39.000 -0.249 0.000 1.070 187 F HN 0.528 nan 8.300 nan 0.000 0.549 188 F N 1.622 120.897 119.950 -1.125 0.000 2.202 188 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 188 F C 1.889 177.365 175.800 -0.539 0.000 1.082 188 F CA 1.400 58.917 58.000 -0.805 0.000 1.313 188 F CB -0.738 37.938 39.000 -0.540 0.000 1.024 188 F HN 0.028 nan 8.300 nan 0.000 0.495 189 N N 0.030 118.527 118.700 -0.337 0.000 2.519 189 N HA -0.123 4.616 4.740 -0.000 0.000 0.186 189 N C 1.332 176.694 175.510 -0.247 0.000 1.062 189 N CA 0.860 53.755 53.050 -0.258 0.000 0.910 189 N CB -0.280 38.049 38.487 -0.263 0.000 0.958 189 N HN 0.342 nan 8.380 nan 0.000 0.445 190 E N -0.139 119.850 120.200 -0.351 0.000 2.460 190 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 190 E C 0.315 176.645 176.600 -0.450 0.000 1.011 190 E CA -0.117 56.023 56.400 -0.433 0.000 0.912 190 E CB 0.601 29.818 29.700 -0.805 0.000 0.953 190 E HN 0.200 nan 8.360 nan 0.000 0.494 191 I N 2.149 122.430 120.570 -0.481 0.000 2.533 191 I HA 0.045 4.215 4.170 -0.000 0.000 0.284 191 I C 1.452 177.357 176.117 -0.353 0.000 1.109 191 I CA 0.540 61.514 61.300 -0.544 0.000 1.412 191 I CB 0.369 37.767 38.000 -1.003 0.000 1.396 191 I HN -0.031 nan 8.210 nan 0.000 0.543 192 R N 3.769 124.092 120.500 -0.295 0.000 2.573 192 R HA 0.268 4.608 4.340 -0.000 0.000 0.224 192 R C 0.057 176.249 176.300 -0.178 0.000 0.904 192 R CA -0.082 55.906 56.100 -0.187 0.000 0.995 192 R CB 0.685 30.913 30.300 -0.121 0.000 1.430 192 R HN 0.608 nan 8.270 nan 0.000 0.631 193 N N 0.285 118.813 118.700 -0.287 0.000 2.761 193 N HA 0.050 4.790 4.740 -0.000 0.000 0.283 193 N C -0.197 175.171 175.510 -0.237 0.000 1.377 193 N CA -0.401 52.509 53.050 -0.233 0.000 0.791 193 N CB 1.616 39.919 38.487 -0.308 0.000 1.540 193 N HN -0.179 nan 8.380 nan 0.000 0.539 194 D N -0.219 120.163 120.400 -0.030 0.000 2.149 194 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 194 D C 1.640 178.032 176.300 0.153 0.000 0.972 194 D CA 1.343 55.437 54.000 0.156 0.000 0.835 194 D CB -0.050 40.879 40.800 0.215 0.000 0.966 194 D HN 0.635 nan 8.370 nan 0.000 0.476 195 Y N -0.598 119.768 120.300 0.110 0.000 2.680 195 Y HA 0.090 4.640 4.550 -0.000 0.000 0.303 195 Y C 0.972 176.908 175.900 0.061 0.000 1.166 195 Y CA 0.521 58.673 58.100 0.086 0.000 1.344 195 Y CB -0.499 37.987 38.460 0.044 0.000 1.002 195 Y HN -0.117 nan 8.280 nan 0.000 0.537 196 D N -0.383 119.792 120.400 -0.375 0.000 2.347 196 D HA -0.076 4.564 4.640 -0.000 0.000 0.213 196 D C 1.116 177.413 176.300 -0.004 0.000 0.985 196 D CA 0.655 54.505 54.000 -0.250 0.000 0.879 196 D CB -0.379 40.229 40.800 -0.320 0.000 0.919 196 D HN 0.568 nan 8.370 nan 0.000 0.526 197 W N 1.067 122.435 121.300 0.114 0.000 2.407 197 W HA -0.117 4.543 4.660 -0.000 0.000 0.305 197 W C 2.617 179.211 176.519 0.124 0.000 1.196 197 W CA 0.253 57.691 57.345 0.155 0.000 1.311 197 W CB -0.134 29.394 29.460 0.113 0.000 1.135 197 W HN -0.070 nan 8.180 nan 0.000 0.514 198 Q N 1.215 121.200 119.800 0.308 0.000 2.083 198 Q HA -0.154 4.186 4.340 -0.000 0.000 0.198 198 Q C 2.176 178.231 176.000 0.092 0.000 0.969 198 Q CA 1.726 57.636 55.803 0.178 0.000 0.838 198 Q CB -0.541 28.282 28.738 0.141 0.000 0.900 198 Q HN 0.184 nan 8.270 nan 0.000 0.436 199 R N -1.102 119.423 120.500 0.042 0.000 2.113 199 R HA -0.222 4.118 4.340 -0.000 0.000 0.244 199 R C 1.384 177.518 176.300 -0.276 0.000 1.142 199 R CA 2.092 58.100 56.100 -0.154 0.000 0.953 199 R CB -0.362 29.766 30.300 -0.286 0.000 0.860 199 R HN 0.467 nan 8.270 nan 0.000 0.438 200 Y N -1.219 119.131 120.300 0.082 0.000 2.462 200 Y HA 0.246 4.796 4.550 -0.000 0.000 0.261 200 Y C 2.032 177.902 175.900 -0.050 0.000 1.146 200 Y CA 0.180 58.320 58.100 0.067 0.000 1.283 200 Y CB 0.383 38.927 38.460 0.140 0.000 1.090 200 Y HN 0.207 nan 8.280 nan 0.000 0.526 201 A N -0.181 122.681 122.820 0.070 0.000 2.014 201 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 201 A C 1.904 179.468 177.584 -0.034 0.000 1.163 201 A CA 1.094 53.103 52.037 -0.047 0.000 0.652 201 A CB -0.493 18.530 19.000 0.039 0.000 0.808 201 A HN 0.324 nan 8.150 nan 0.000 0.449 202 L N -0.234 120.991 121.223 0.003 0.000 2.156 202 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 202 L C 2.531 179.409 176.870 0.013 0.000 1.095 202 L CA 1.802 56.642 54.840 0.000 0.000 0.770 202 L CB -1.062 40.992 42.059 -0.008 0.000 0.914 202 L HN 0.318 nan 8.230 nan 0.000 0.439 203 S N -1.353 114.377 115.700 0.050 0.000 2.395 203 S HA -0.061 4.408 4.470 -0.000 0.000 0.225 203 S C 2.031 176.670 174.600 0.065 0.000 1.027 203 S CA 0.838 59.101 58.200 0.104 0.000 0.965 203 S CB 0.100 63.456 63.200 0.260 0.000 0.812 203 S HN 0.210 nan 8.310 nan 0.000 0.482 204 V N 1.183 121.086 119.914 -0.019 0.000 2.379 204 V HA 0.024 4.144 4.120 -0.000 0.000 0.245 204 V C 0.694 176.742 176.094 -0.078 0.000 1.044 204 V CA 0.994 63.216 62.300 -0.130 0.000 1.036 204 V CB -0.193 31.348 31.823 -0.469 0.000 0.664 204 V HN 0.250 nan 8.190 nan 0.000 0.453 205 V N 3.347 123.223 119.914 -0.062 0.000 2.239 205 V HA 0.310 4.430 4.120 -0.000 0.000 0.267 205 V C -2.062 174.027 176.094 -0.009 0.000 1.056 205 V CA -1.718 60.569 62.300 -0.021 0.000 0.830 205 V CB 0.752 32.569 31.823 -0.010 0.000 1.090 205 V HN 0.319 nan 8.190 nan 0.000 0.459 206 P HA 0.096 nan 4.420 nan 0.000 0.273 206 P C -0.170 177.108 177.300 -0.036 0.000 1.258 206 P CA -0.359 62.727 63.100 -0.023 0.000 0.802 206 P CB 0.757 32.435 31.700 -0.038 0.000 1.040 207 R N -0.303 120.160 120.500 -0.061 0.000 2.543 207 R HA 0.272 4.612 4.340 -0.000 0.000 0.277 207 R C 0.946 177.190 176.300 -0.094 0.000 1.074 207 R CA 0.080 56.135 56.100 -0.075 0.000 1.076 207 R CB -0.466 29.784 30.300 -0.084 0.000 0.993 207 R HN 0.605 nan 8.270 nan 0.000 0.459 208 G N 1.331 110.078 108.800 -0.089 0.000 2.441 208 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.243 208 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.243 208 G C 0.898 175.724 174.900 -0.123 0.000 1.281 208 G CA -0.360 44.680 45.100 -0.100 0.000 0.854 208 G HN 0.666 nan 8.290 nan 0.000 0.560 209 K N 0.341 120.675 120.400 -0.111 0.000 2.103 209 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 209 K C 1.380 177.916 176.600 -0.107 0.000 1.048 209 K CA 1.648 57.871 56.287 -0.107 0.000 0.930 209 K CB -0.118 32.336 32.500 -0.077 0.000 0.716 209 K HN 0.641 nan 8.250 nan 0.000 0.444 210 T N -2.725 111.745 114.554 -0.139 0.000 2.940 210 T HA 0.192 4.542 4.350 -0.000 0.000 0.288 210 T C 0.468 175.048 174.700 -0.200 0.000 1.045 210 T CA -0.945 61.062 62.100 -0.155 0.000 1.018 210 T CB 1.547 70.312 68.868 -0.172 0.000 1.151 210 T HN -0.057 nan 8.240 nan 0.000 0.529 211 D N 0.156 120.449 120.400 -0.178 0.000 2.144 211 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 211 D C 1.667 177.797 176.300 -0.283 0.000 0.984 211 D CA 1.370 55.260 54.000 -0.184 0.000 0.834 211 D CB 0.102 40.823 40.800 -0.131 0.000 0.955 211 D HN 0.847 nan 8.370 nan 0.000 0.465 212 E N 0.699 120.681 120.200 -0.363 0.000 2.072 212 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 212 E C 2.034 177.985 176.600 -1.082 0.000 0.985 212 E CA 0.867 56.916 56.400 -0.586 0.000 0.801 212 E CB 0.044 29.441 29.700 -0.504 0.000 0.750 212 E HN 0.122 nan 8.360 nan 0.000 0.452 213 A N 0.897 123.154 122.820 -0.938 0.000 2.019 213 A HA -0.211 4.108 4.320 -0.000 0.000 0.219 213 A C 1.983 179.337 177.584 -0.383 0.000 1.164 213 A CA 1.764 53.312 52.037 -0.815 0.000 0.644 213 A CB -0.464 18.319 19.000 -0.362 0.000 0.805 213 A HN 0.317 nan 8.150 nan 0.000 0.449 214 E N 0.371 120.374 120.200 -0.328 0.000 2.158 214 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 214 E C 1.874 178.340 176.600 -0.222 0.000 0.982 214 E CA 1.441 57.721 56.400 -0.199 0.000 0.823 214 E CB -0.319 29.280 29.700 -0.169 0.000 0.766 214 E HN 0.693 nan 8.360 nan 0.000 0.468 215 E N -0.597 119.405 120.200 -0.330 0.000 2.051 215 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 215 E C 1.481 177.880 176.600 -0.335 0.000 0.991 215 E CA 1.473 57.652 56.400 -0.368 0.000 0.799 215 E CB -0.236 29.288 29.700 -0.293 0.000 0.748 215 E HN 0.374 nan 8.360 nan 0.000 0.449 216 W N 0.458 121.699 121.300 -0.097 0.000 2.355 216 W HA -0.063 4.597 4.660 -0.000 0.000 0.309 216 W C 2.524 179.066 176.519 0.039 0.000 1.206 216 W CA 0.889 58.287 57.345 0.088 0.000 1.284 216 W CB -1.412 28.125 29.460 0.127 0.000 1.145 216 W HN 0.223 nan 8.180 nan 0.000 0.502 217 A N 0.972 123.915 122.820 0.204 0.000 1.917 217 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 217 A C 2.282 179.902 177.584 0.061 0.000 1.182 217 A CA 3.268 55.375 52.037 0.117 0.000 0.633 217 A CB -1.268 17.758 19.000 0.043 0.000 0.819 217 A HN 0.306 nan 8.150 nan 0.000 0.448 218 S N -1.189 114.478 115.700 -0.055 0.000 2.382 218 S HA -0.216 4.254 4.470 -0.000 0.000 0.228 218 S C 1.911 176.549 174.600 0.064 0.000 1.027 218 S CA 1.453 59.609 58.200 -0.073 0.000 0.991 218 S CB -0.938 62.134 63.200 -0.212 0.000 0.823 218 S HN 0.672 nan 8.310 nan 0.000 0.469 219 Y N 1.807 122.232 120.300 0.209 0.000 2.242 219 Y HA 0.080 4.630 4.550 -0.000 0.000 0.291 219 Y C 3.012 179.072 175.900 0.266 0.000 1.137 219 Y CA 0.244 58.531 58.100 0.312 0.000 1.181 219 Y CB -0.711 37.964 38.460 0.359 0.000 0.989 219 Y HN 0.475 nan 8.280 nan 0.000 0.527 220 G N 0.245 109.238 108.800 0.322 0.000 2.408 220 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 220 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 220 G C 1.647 176.632 174.900 0.142 0.000 1.150 220 G CA 0.446 45.661 45.100 0.192 0.000 0.776 220 G HN 0.300 nan 8.290 nan 0.000 0.542 221 R N -0.675 119.904 120.500 0.131 0.000 2.119 221 R HA 0.113 4.453 4.340 -0.000 0.000 0.222 221 R C 2.386 178.762 176.300 0.126 0.000 1.088 221 R CA 0.675 56.828 56.100 0.090 0.000 0.984 221 R CB -0.404 29.932 30.300 0.061 0.000 0.884 221 R HN 0.368 nan 8.270 nan 0.000 0.447 222 L N 1.097 122.436 121.223 0.193 0.000 2.017 222 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 222 L C 2.025 179.037 176.870 0.236 0.000 1.073 222 L CA 1.531 56.493 54.840 0.204 0.000 0.745 222 L CB -0.540 41.668 42.059 0.247 0.000 0.894 222 L HN 0.092 nan 8.230 nan 0.000 0.432 223 L N -0.960 120.446 121.223 0.304 0.000 2.056 223 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 223 L C 2.318 179.253 176.870 0.108 0.000 1.078 223 L CA 1.847 56.806 54.840 0.198 0.000 0.749 223 L CB -0.893 41.186 42.059 0.032 0.000 0.901 223 L HN 0.412 nan 8.230 nan 0.000 0.433 224 L N 0.283 121.560 121.223 0.091 0.000 1.994 224 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 224 L C 2.864 179.781 176.870 0.077 0.000 1.071 224 L CA 2.379 57.260 54.840 0.067 0.000 0.745 224 L CB -0.793 41.267 42.059 0.003 0.000 0.892 224 L HN 0.512 nan 8.230 nan 0.000 0.431 225 R N -1.252 119.294 120.500 0.075 0.000 2.075 225 R HA -0.110 4.229 4.340 -0.000 0.000 0.232 225 R C 1.858 178.085 176.300 -0.123 0.000 1.126 225 R CA 1.447 57.579 56.100 0.053 0.000 0.963 225 R CB -0.847 29.530 30.300 0.127 0.000 0.858 225 R HN 0.326 nan 8.270 nan 0.000 0.435 226 E N 0.610 120.778 120.200 -0.055 0.000 2.107 226 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 226 E C 1.982 178.525 176.600 -0.096 0.000 0.982 226 E CA 1.651 57.989 56.400 -0.104 0.000 0.809 226 E CB -0.244 29.435 29.700 -0.035 0.000 0.756 226 E HN 0.420 nan 8.360 nan 0.000 0.459 227 T N 1.035 115.597 114.554 0.013 0.000 2.770 227 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 227 T C 1.921 176.704 174.700 0.138 0.000 1.039 227 T CA 1.364 63.548 62.100 0.141 0.000 1.142 227 T CB -0.158 68.802 68.868 0.154 0.000 0.868 227 T HN 0.242 nan 8.240 nan 0.000 0.435 228 A N 1.355 124.220 122.820 0.074 0.000 2.019 228 A HA -0.060 4.259 4.320 -0.000 0.000 0.219 228 A C 2.208 179.671 177.584 -0.202 0.000 1.164 228 A CA 1.544 53.654 52.037 0.123 0.000 0.644 228 A CB -0.431 18.643 19.000 0.124 0.000 0.805 228 A HN 0.416 nan 8.150 nan 0.000 0.449 229 K N -0.099 119.902 120.400 -0.665 0.000 2.031 229 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 229 K C 2.175 178.578 176.600 -0.328 0.000 1.049 229 K CA 1.575 57.263 56.287 -0.998 0.000 0.939 229 K CB -0.177 31.693 32.500 -1.050 0.000 0.717 229 K HN 0.440 nan 8.250 nan 0.000 0.438 230 K N 0.893 121.181 120.400 -0.188 0.000 2.026 230 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 230 K C 2.170 178.799 176.600 0.048 0.000 1.048 230 K CA 1.113 57.334 56.287 -0.111 0.000 0.929 230 K CB -0.098 32.249 32.500 -0.254 0.000 0.713 230 K HN 0.117 nan 8.250 nan 0.000 0.439 231 L N 0.512 121.851 121.223 0.193 0.000 2.081 231 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 231 L C 2.600 179.530 176.870 0.101 0.000 1.080 231 L CA 1.387 56.358 54.840 0.219 0.000 0.754 231 L CB -0.545 41.674 42.059 0.267 0.000 0.893 231 L HN 0.347 nan 8.230 nan 0.000 0.433 232 A N -0.448 122.455 122.820 0.139 0.000 1.930 232 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 232 A C 2.272 179.911 177.584 0.091 0.000 1.175 232 A CA 1.047 53.167 52.037 0.138 0.000 0.627 232 A CB -0.508 18.746 19.000 0.423 0.000 0.815 232 A HN 0.331 nan 8.150 nan 0.000 0.443 233 L N 0.109 121.372 121.223 0.067 0.000 1.994 233 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 233 L C 2.252 179.137 176.870 0.025 0.000 1.071 233 L CA 1.941 56.802 54.840 0.036 0.000 0.745 233 L CB -0.406 41.647 42.059 -0.011 0.000 0.892 233 L HN 0.685 nan 8.230 nan 0.000 0.431 234 I N -2.705 117.883 120.570 0.029 0.000 3.620 234 I HA 0.184 4.354 4.170 -0.000 0.000 0.305 234 I C 1.218 177.353 176.117 0.031 0.000 1.243 234 I CA 0.629 61.950 61.300 0.034 0.000 1.196 234 I CB -0.851 37.187 38.000 0.064 0.000 1.004 234 I HN 0.355 nan 8.210 nan 0.000 0.487 235 G N 2.203 111.012 108.800 0.015 0.000 2.175 235 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.265 235 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.265 235 G C 0.468 175.346 174.900 -0.036 0.000 0.979 235 G CA 0.652 45.747 45.100 -0.010 0.000 0.663 235 G HN 0.756 nan 8.290 nan 0.000 0.533 236 T N -1.296 113.239 114.554 -0.031 0.000 3.377 236 T HA 0.598 4.948 4.350 -0.000 0.000 0.270 236 T C -1.842 172.755 174.700 -0.171 0.000 1.586 236 T CA -1.105 60.959 62.100 -0.061 0.000 1.487 236 T CB 1.777 70.656 68.868 0.019 0.000 0.994 236 T HN 0.206 nan 8.240 nan 0.000 0.689 237 P HA 0.156 nan 4.420 nan 0.000 0.231 237 P C -0.111 176.646 177.300 -0.905 0.000 1.756 237 P CA 0.089 62.583 63.100 -1.009 0.000 0.990 237 P CB -0.267 30.810 31.700 -1.038 0.000 1.973 238 S N 1.970 117.444 115.700 -0.377 0.000 2.457 238 S HA 0.310 4.780 4.470 -0.000 0.000 0.289 238 S C 1.396 176.061 174.600 0.109 0.000 1.163 238 S CA -0.676 57.453 58.200 -0.119 0.000 1.078 238 S CB 0.448 63.626 63.200 -0.035 0.000 0.987 238 S HN -0.053 nan 8.310 nan 0.000 0.482 239 M N 4.078 123.783 119.600 0.175 0.000 2.296 239 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 239 M C 2.012 178.469 176.300 0.262 0.000 1.064 239 M CA 1.310 56.793 55.300 0.306 0.000 1.109 239 M CB -1.174 31.580 32.600 0.257 0.000 1.396 239 M HN 0.788 nan 8.290 nan 0.000 0.430 240 R N -0.040 120.562 120.500 0.170 0.000 2.090 240 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 240 R C 2.033 178.444 176.300 0.185 0.000 1.110 240 R CA 0.975 57.172 56.100 0.163 0.000 0.973 240 R CB 0.194 30.537 30.300 0.073 0.000 0.869 240 R HN 0.184 nan 8.270 nan 0.000 0.440 241 E N 0.730 121.011 120.200 0.134 0.000 2.047 241 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 241 E C 1.918 178.659 176.600 0.235 0.000 0.987 241 E CA 0.869 57.334 56.400 0.109 0.000 0.799 241 E CB -0.338 29.435 29.700 0.122 0.000 0.752 241 E HN 0.202 nan 8.360 nan 0.000 0.449 242 L N 0.447 121.860 121.223 0.317 0.000 2.042 242 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 242 L C 2.252 179.306 176.870 0.307 0.000 1.076 242 L CA 1.613 56.667 54.840 0.356 0.000 0.749 242 L CB -0.824 41.496 42.059 0.436 0.000 0.893 242 L HN 0.098 nan 8.230 nan 0.000 0.432 243 F N -0.800 119.246 119.950 0.161 0.000 2.186 243 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 243 F C 2.573 178.407 175.800 0.058 0.000 1.090 243 F CA 1.755 59.819 58.000 0.107 0.000 1.307 243 F CB -0.237 38.827 39.000 0.107 0.000 1.019 243 F HN 0.429 nan 8.300 nan 0.000 0.489 244 H N -1.079 117.968 119.070 -0.038 0.000 2.293 244 H HA -0.217 4.339 4.556 -0.000 0.000 0.300 244 H C 2.115 177.257 175.328 -0.311 0.000 1.082 244 H CA 2.530 58.421 56.048 -0.261 0.000 1.308 244 H CB -0.967 28.586 29.762 -0.349 0.000 1.375 244 H HN 0.419 nan 8.280 nan 0.000 0.495 245 W N 0.574 121.698 121.300 -0.293 0.000 2.333 245 W HA -0.236 4.424 4.660 -0.000 0.000 0.316 245 W C 2.928 179.237 176.519 -0.350 0.000 1.215 245 W CA 1.968 59.079 57.345 -0.391 0.000 1.278 245 W CB -0.519 28.705 29.460 -0.394 0.000 1.154 245 W HN 0.424 nan 8.180 nan 0.000 0.486 246 T N -4.001 110.552 114.554 -0.002 0.000 2.951 246 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 246 T C 1.374 175.924 174.700 -0.249 0.000 1.073 246 T CA 1.661 63.700 62.100 -0.101 0.000 1.134 246 T CB -0.570 68.278 68.868 -0.034 0.000 0.884 246 T HN 0.211 nan 8.240 nan 0.000 0.479 247 T N -2.270 112.023 114.554 -0.435 0.000 3.041 247 T HA 0.423 4.773 4.350 -0.000 0.000 0.276 247 T C 1.306 175.726 174.700 -0.467 0.000 0.948 247 T CA -0.467 61.337 62.100 -0.494 0.000 0.885 247 T CB 0.178 68.642 68.868 -0.673 0.000 1.175 247 T HN 0.252 nan 8.240 nan 0.000 0.529 248 I N 1.465 121.731 120.570 -0.506 0.000 3.673 248 I HA 0.485 4.655 4.170 -0.000 0.000 0.281 248 I C 1.650 177.511 176.117 -0.427 0.000 1.182 248 I CA -0.095 60.958 61.300 -0.412 0.000 1.391 248 I CB -1.223 36.590 38.000 -0.311 0.000 1.383 248 I HN 0.322 nan 8.210 nan 0.000 0.456 249 A N 2.334 124.734 122.820 -0.700 0.000 2.555 249 A HA 0.236 4.556 4.320 -0.000 0.000 0.233 249 A C 0.975 178.469 177.584 -0.151 0.000 1.060 249 A CA 0.499 52.254 52.037 -0.471 0.000 0.759 249 A CB -0.411 18.334 19.000 -0.424 0.000 0.995 249 A HN 0.532 nan 8.150 nan 0.000 0.506 250 T N -0.627 113.900 114.554 -0.044 0.000 2.802 250 T HA 0.220 4.570 4.350 -0.000 0.000 0.305 250 T C 0.877 175.652 174.700 0.126 0.000 1.053 250 T CA 0.248 62.371 62.100 0.037 0.000 1.058 250 T CB 0.085 68.983 68.868 0.049 0.000 0.988 250 T HN 0.427 nan 8.240 nan 0.000 0.539 251 F N 1.389 121.300 119.950 -0.064 0.000 2.091 251 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 251 F C 2.006 177.798 175.800 -0.012 0.000 1.103 251 F CA 2.019 59.983 58.000 -0.059 0.000 1.228 251 F CB -0.692 38.266 39.000 -0.070 0.000 0.984 251 F HN 0.644 nan 8.300 nan 0.000 0.477 252 D N -0.266 120.228 120.400 0.158 0.000 2.117 252 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 252 D C 1.991 178.339 176.300 0.080 0.000 0.982 252 D CA 1.461 55.512 54.000 0.086 0.000 0.828 252 D CB -0.558 40.295 40.800 0.089 0.000 0.967 252 D HN 0.281 nan 8.370 nan 0.000 0.464 253 D N 0.503 120.984 120.400 0.135 0.000 2.104 253 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 253 D C 2.274 178.740 176.300 0.277 0.000 0.994 253 D CA 0.351 54.499 54.000 0.247 0.000 0.830 253 D CB -0.332 40.652 40.800 0.306 0.000 0.959 253 D HN 0.180 nan 8.370 nan 0.000 0.452 254 L N 0.936 122.287 121.223 0.213 0.000 1.989 254 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 254 L C 2.666 179.503 176.870 -0.056 0.000 1.071 254 L CA 1.318 56.208 54.840 0.085 0.000 0.749 254 L CB -0.075 41.961 42.059 -0.037 0.000 0.890 254 L HN -0.036 nan 8.230 nan 0.000 0.431 255 R N -0.224 120.210 120.500 -0.110 0.000 2.113 255 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 255 R C 2.083 178.339 176.300 -0.074 0.000 1.142 255 R CA 1.627 57.657 56.100 -0.117 0.000 0.953 255 R CB -1.190 29.046 30.300 -0.106 0.000 0.860 255 R HN 0.567 nan 8.270 nan 0.000 0.438 256 G N 0.173 108.955 108.800 -0.029 0.000 2.421 256 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 256 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 256 G C 1.349 176.185 174.900 -0.106 0.000 1.171 256 G CA 0.433 45.513 45.100 -0.033 0.000 0.775 256 G HN 0.307 nan 8.290 nan 0.000 0.543 257 F N 1.204 120.964 119.950 -0.316 0.000 2.161 257 F HA 0.003 4.529 4.527 -0.000 0.000 0.300 257 F C 2.319 177.879 175.800 -0.401 0.000 1.089 257 F CA 1.122 58.791 58.000 -0.552 0.000 1.282 257 F CB -0.093 38.108 39.000 -1.332 0.000 1.010 257 F HN 0.033 nan 8.300 nan 0.000 0.485 258 L N -0.025 121.022 121.223 -0.293 0.000 2.376 258 L HA -0.077 4.263 4.340 -0.000 0.000 0.219 258 L C 0.733 177.450 176.870 -0.254 0.000 1.133 258 L CA 0.323 55.005 54.840 -0.263 0.000 0.816 258 L CB -0.704 41.299 42.059 -0.094 0.000 0.933 258 L HN 0.046 nan 8.230 nan 0.000 0.449 259 E N 0.079 120.141 120.200 -0.229 0.000 2.502 259 E HA 0.063 4.413 4.350 -0.000 0.000 0.261 259 E C 1.095 177.567 176.600 -0.213 0.000 0.974 259 E CA 0.673 56.967 56.400 -0.177 0.000 0.936 259 E CB 0.357 29.974 29.700 -0.139 0.000 0.926 259 E HN 0.343 nan 8.360 nan 0.000 0.459 260 G N 2.797 111.501 108.800 -0.161 0.000 2.258 260 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.233 260 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.233 260 G C 0.467 175.272 174.900 -0.158 0.000 1.006 260 G CA 0.287 45.294 45.100 -0.156 0.000 0.620 260 G HN 0.680 nan 8.290 nan 0.000 0.511 261 T N -0.693 113.753 114.554 -0.179 0.000 2.934 261 T HA 0.695 5.044 4.350 -0.000 0.000 0.283 261 T C 1.683 176.314 174.700 -0.115 0.000 1.005 261 T CA -0.174 61.831 62.100 -0.158 0.000 1.041 261 T CB 1.766 70.522 68.868 -0.186 0.000 1.042 261 T HN 0.292 nan 8.240 nan 0.000 0.505 262 L N 0.864 122.029 121.223 -0.097 0.000 2.197 262 L HA -0.105 4.235 4.340 -0.000 0.000 0.215 262 L C 2.794 179.603 176.870 -0.103 0.000 1.095 262 L CA 1.584 56.373 54.840 -0.085 0.000 0.764 262 L CB -0.748 41.272 42.059 -0.066 0.000 0.897 262 L HN 0.930 nan 8.230 nan 0.000 0.436 263 A N -0.888 121.875 122.820 -0.095 0.000 2.251 263 A HA -0.088 4.231 4.320 -0.000 0.000 0.209 263 A C 2.127 179.667 177.584 -0.073 0.000 1.187 263 A CA 0.458 52.432 52.037 -0.106 0.000 0.823 263 A CB -0.312 18.712 19.000 0.040 0.000 0.846 263 A HN 0.460 nan 8.150 nan 0.000 0.486 264 E N 0.364 120.513 120.200 -0.085 0.000 2.048 264 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 264 E C 1.760 178.321 176.600 -0.065 0.000 1.021 264 E CA 1.960 58.313 56.400 -0.078 0.000 0.825 264 E CB -0.094 29.552 29.700 -0.091 0.000 0.756 264 E HN 0.527 nan 8.360 nan 0.000 0.454 265 S N 0.083 115.733 115.700 -0.084 0.000 2.439 265 S HA 0.075 4.545 4.470 -0.000 0.000 0.224 265 S C 1.949 176.481 174.600 -0.113 0.000 1.029 265 S CA 0.145 58.298 58.200 -0.078 0.000 0.946 265 S CB -0.040 63.118 63.200 -0.070 0.000 0.797 265 S HN 0.239 nan 8.310 nan 0.000 0.504 266 L N 0.144 121.246 121.223 -0.202 0.000 2.081 266 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 266 L C 1.055 177.689 176.870 -0.394 0.000 1.080 266 L CA 1.438 56.075 54.840 -0.338 0.000 0.754 266 L CB -0.489 41.260 42.059 -0.517 0.000 0.893 266 L HN 0.306 nan 8.230 nan 0.000 0.433 267 F N -0.236 119.660 119.950 -0.091 0.000 2.713 267 F HA 0.424 4.951 4.527 -0.000 0.000 0.294 267 F C 0.688 176.424 175.800 -0.107 0.000 1.152 267 F CA -0.532 57.394 58.000 -0.123 0.000 1.385 267 F CB 0.147 39.041 39.000 -0.177 0.000 0.981 267 F HN -0.031 nan 8.300 nan 0.000 0.514 268 A N -0.924 121.926 122.820 0.051 0.000 2.594 268 A HA 0.716 5.036 4.320 -0.000 0.000 0.291 268 A C 0.620 178.215 177.584 0.018 0.000 1.105 268 A CA -0.034 52.025 52.037 0.038 0.000 0.694 268 A CB 1.112 20.120 19.000 0.014 0.000 1.291 268 A HN 0.436 nan 8.150 nan 0.000 0.410 269 G N -0.745 108.071 108.800 0.026 0.000 2.231 269 G HA2 0.259 4.219 3.960 -0.000 0.000 0.206 269 G HA3 0.259 4.219 3.960 -0.000 0.000 0.206 269 G C 0.347 175.260 174.900 0.021 0.000 0.996 269 G CA 0.753 45.862 45.100 0.015 0.000 0.645 269 G HN 2.667 nan 8.290 nan 0.000 0.498 270 S N -1.500 114.220 115.700 0.033 0.000 2.636 270 S HA 0.535 5.005 4.470 -0.000 0.000 0.266 270 S C 0.513 175.140 174.600 0.046 0.000 1.147 270 S CA 0.195 58.414 58.200 0.033 0.000 0.815 270 S CB 0.572 63.787 63.200 0.025 0.000 1.119 270 S HN 0.024 nan 8.310 nan 0.000 0.470 271 N N 0.932 119.656 118.700 0.039 0.000 2.166 271 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 271 N C 1.482 177.022 175.510 0.049 0.000 1.019 271 N CA 1.705 54.780 53.050 0.042 0.000 0.856 271 N CB -0.599 37.905 38.487 0.029 0.000 0.993 271 N HN 0.777 nan 8.380 nan 0.000 0.426 272 E N 1.622 121.848 120.200 0.044 0.000 2.049 272 E HA -0.115 4.234 4.350 -0.000 0.000 0.198 272 E C 1.859 178.479 176.600 0.032 0.000 1.007 272 E CA 1.705 58.130 56.400 0.043 0.000 0.809 272 E CB -0.514 29.210 29.700 0.041 0.000 0.749 272 E HN 0.294 nan 8.360 nan 0.000 0.450 273 A N -0.186 122.657 122.820 0.038 0.000 1.917 273 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 273 A C 2.479 180.148 177.584 0.142 0.000 1.182 273 A CA 2.186 54.259 52.037 0.061 0.000 0.633 273 A CB -0.832 18.199 19.000 0.050 0.000 0.819 273 A HN 0.312 nan 8.150 nan 0.000 0.448 274 S N -0.916 114.874 115.700 0.149 0.000 2.406 274 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 274 S C 1.981 176.701 174.600 0.200 0.000 1.020 274 S CA 1.360 59.718 58.200 0.263 0.000 0.965 274 S CB -0.174 63.172 63.200 0.243 0.000 0.798 274 S HN 0.685 nan 8.310 nan 0.000 0.488 275 K N 1.562 122.017 120.400 0.092 0.000 2.026 275 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 275 K C 2.244 178.859 176.600 0.025 0.000 1.048 275 K CA 1.208 57.528 56.287 0.054 0.000 0.929 275 K CB -0.370 32.164 32.500 0.056 0.000 0.713 275 K HN 0.282 nan 8.250 nan 0.000 0.439 276 A N 1.821 124.602 122.820 -0.065 0.000 1.908 276 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 276 A C 2.165 179.667 177.584 -0.137 0.000 1.181 276 A CA 1.357 53.192 52.037 -0.337 0.000 0.627 276 A CB -0.679 17.925 19.000 -0.659 0.000 0.818 276 A HN 0.428 nan 8.150 nan 0.000 0.445 277 L N -0.735 120.410 121.223 -0.130 0.000 2.017 277 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 277 L C 2.703 179.476 176.870 -0.162 0.000 1.073 277 L CA 2.156 56.669 54.840 -0.546 0.000 0.745 277 L CB -0.655 41.080 42.059 -0.540 0.000 0.894 277 L HN 0.405 nan 8.230 nan 0.000 0.432 278 T N -0.747 113.864 114.554 0.095 0.000 2.759 278 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 278 T C 1.983 176.691 174.700 0.015 0.000 1.042 278 T CA 1.684 63.795 62.100 0.019 0.000 1.140 278 T CB -0.091 68.772 68.868 -0.009 0.000 0.864 278 T HN 0.381 nan 8.240 nan 0.000 0.455 279 S N 1.290 117.023 115.700 0.055 0.000 2.368 279 S HA 0.043 4.513 4.470 -0.000 0.000 0.224 279 S C 2.608 177.291 174.600 0.139 0.000 1.029 279 S CA 0.811 59.046 58.200 0.059 0.000 0.988 279 S CB -0.521 62.740 63.200 0.101 0.000 0.838 279 S HN 0.592 nan 8.310 nan 0.000 0.462 280 A N 2.579 125.464 122.820 0.109 0.000 1.908 280 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 280 A C 2.190 179.772 177.584 -0.003 0.000 1.181 280 A CA 1.180 53.267 52.037 0.084 0.000 0.627 280 A CB -0.445 18.509 19.000 -0.077 0.000 0.818 280 A HN 0.309 nan 8.150 nan 0.000 0.445 281 R N -1.405 119.030 120.500 -0.109 0.000 2.073 281 R HA -0.103 4.236 4.340 -0.000 0.000 0.234 281 R C 1.981 178.200 176.300 -0.135 0.000 1.134 281 R CA 1.542 57.533 56.100 -0.182 0.000 0.952 281 R CB -0.912 29.206 30.300 -0.303 0.000 0.850 281 R HN 0.636 nan 8.270 nan 0.000 0.433 282 F N 0.762 120.668 119.950 -0.073 0.000 2.095 282 F HA -0.236 4.290 4.527 -0.000 0.000 0.298 282 F C 2.649 178.438 175.800 -0.017 0.000 1.104 282 F CA 1.084 59.040 58.000 -0.072 0.000 1.232 282 F CB -0.467 38.442 39.000 -0.152 0.000 0.987 282 F HN -0.233 nan 8.300 nan 0.000 0.475 283 V N -0.042 120.000 119.914 0.212 0.000 2.219 283 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 283 V C 2.272 178.447 176.094 0.135 0.000 1.053 283 V CA 1.580 63.985 62.300 0.176 0.000 1.009 283 V CB -0.794 31.142 31.823 0.188 0.000 0.636 283 V HN 0.197 nan 8.190 nan 0.000 0.445 284 L N 1.166 122.449 121.223 0.100 0.000 2.129 284 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 284 L C 2.696 179.658 176.870 0.153 0.000 1.087 284 L CA 2.447 57.342 54.840 0.093 0.000 0.757 284 L CB -1.325 40.761 42.059 0.044 0.000 0.896 284 L HN 0.642 nan 8.230 nan 0.000 0.434 285 S N -2.294 113.481 115.700 0.124 0.000 2.453 285 S HA -0.103 4.366 4.470 -0.000 0.000 0.231 285 S C 1.596 176.338 174.600 0.235 0.000 1.005 285 S CA 0.853 59.168 58.200 0.192 0.000 0.949 285 S CB -0.189 63.058 63.200 0.079 0.000 0.774 285 S HN 0.415 nan 8.310 nan 0.000 0.510 286 D N 1.417 121.926 120.400 0.182 0.000 2.201 286 D HA 0.081 4.721 4.640 -0.000 0.000 0.209 286 D C 1.973 178.353 176.300 0.133 0.000 0.961 286 D CA 0.828 54.917 54.000 0.148 0.000 0.861 286 D CB 0.024 40.900 40.800 0.126 0.000 0.997 286 D HN 0.305 nan 8.370 nan 0.000 0.486 287 K N 0.788 121.270 120.400 0.136 0.000 2.044 287 K HA 0.089 4.409 4.320 -0.000 0.000 0.204 287 K C 2.442 179.165 176.600 0.205 0.000 1.045 287 K CA 0.146 56.511 56.287 0.130 0.000 0.951 287 K CB -0.716 31.833 32.500 0.080 0.000 0.738 287 K HN 0.177 nan 8.250 nan 0.000 0.443 288 L N 1.226 122.575 121.223 0.211 0.000 2.079 288 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 288 L C -0.669 176.291 176.870 0.150 0.000 1.081 288 L CA 1.200 56.191 54.840 0.250 0.000 0.752 288 L CB -1.729 40.555 42.059 0.376 0.000 0.896 288 L HN 0.075 nan 8.230 nan 0.000 0.433 289 P HA -0.247 nan 4.420 nan 0.000 0.216 289 P C 1.320 178.570 177.300 -0.084 0.000 1.167 289 P CA 1.543 64.553 63.100 -0.151 0.000 0.933 289 P CB -0.009 31.681 31.700 -0.017 0.000 0.793 290 E N -1.992 118.203 120.200 -0.008 0.000 2.265 290 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 290 E C 2.040 178.607 176.600 -0.056 0.000 0.996 290 E CA 0.983 57.360 56.400 -0.039 0.000 0.832 290 E CB -0.830 28.812 29.700 -0.095 0.000 0.756 290 E HN 0.522 nan 8.360 nan 0.000 0.491 291 H N -0.184 118.899 119.070 0.022 0.000 2.389 291 H HA -0.022 4.534 4.556 -0.000 0.000 0.299 291 H C 2.190 177.587 175.328 0.115 0.000 1.081 291 H CA 1.113 57.240 56.048 0.131 0.000 1.345 291 H CB 0.275 30.140 29.762 0.171 0.000 1.393 291 H HN 0.003 nan 8.280 nan 0.000 0.520 292 V N 0.820 120.806 119.914 0.120 0.000 2.255 292 V HA -0.198 3.922 4.120 -0.000 0.000 0.243 292 V C 2.701 178.797 176.094 0.004 0.000 1.038 292 V CA 2.215 64.527 62.300 0.020 0.000 1.008 292 V CB -0.923 30.763 31.823 -0.228 0.000 0.645 292 V HN 0.560 nan 8.190 nan 0.000 0.449 293 T N -2.611 111.918 114.554 -0.041 0.000 3.155 293 T HA -0.023 4.327 4.350 -0.000 0.000 0.264 293 T C 0.856 175.527 174.700 -0.049 0.000 1.160 293 T CA 0.383 62.458 62.100 -0.043 0.000 1.075 293 T CB -0.329 68.514 68.868 -0.040 0.000 0.921 293 T HN 0.131 nan 8.240 nan 0.000 0.533 294 M N 2.777 122.388 119.600 0.019 0.000 2.217 294 M HA 0.298 4.778 4.480 -0.000 0.000 0.352 294 M C -2.413 173.943 176.300 0.093 0.000 1.376 294 M CA -2.433 52.911 55.300 0.073 0.000 1.107 294 M CB 0.633 33.375 32.600 0.237 0.000 1.723 294 M HN -0.037 nan 8.290 nan 0.000 0.461 295 P HA -0.056 nan 4.420 nan 0.000 0.261 295 P C -0.642 176.724 177.300 0.110 0.000 1.173 295 P CA 0.362 63.496 63.100 0.057 0.000 0.760 295 P CB 0.369 32.090 31.700 0.035 0.000 0.783 296 D N 1.389 121.837 120.400 0.080 0.000 2.339 296 D HA 0.498 5.138 4.640 -0.000 0.000 0.245 296 D C 0.616 176.970 176.300 0.089 0.000 1.115 296 D CA 0.678 54.729 54.000 0.085 0.000 0.917 296 D CB 1.261 42.088 40.800 0.044 0.000 1.192 296 D HN 0.467 nan 8.370 nan 0.000 0.428 297 G N 0.362 109.222 108.800 0.100 0.000 2.441 297 G HA2 0.162 4.122 3.960 -0.000 0.000 0.294 297 G HA3 0.162 4.122 3.960 -0.000 0.000 0.294 297 G C -0.686 174.278 174.900 0.107 0.000 1.393 297 G CA -0.540 44.627 45.100 0.112 0.000 0.796 297 G HN 0.415 nan 8.290 nan 0.000 0.494 298 D N -0.974 119.498 120.400 0.121 0.000 2.402 298 D HA 0.157 4.797 4.640 -0.000 0.000 0.216 298 D C 0.398 176.777 176.300 0.130 0.000 1.128 298 D CA -0.675 53.374 54.000 0.083 0.000 0.833 298 D CB -0.059 40.771 40.800 0.051 0.000 0.971 298 D HN 0.203 nan 8.370 nan 0.000 0.503 299 F N 1.941 121.953 119.950 0.103 0.000 2.608 299 F HA 0.187 4.714 4.527 -0.000 0.000 0.380 299 F C 0.238 176.177 175.800 0.231 0.000 1.083 299 F CA 0.299 58.391 58.000 0.153 0.000 1.266 299 F CB 0.767 39.857 39.000 0.150 0.000 1.076 299 F HN -0.107 nan 8.300 nan 0.000 0.574 300 S N 6.898 122.166 115.700 -0.719 0.000 2.605 300 S HA 0.396 4.866 4.470 -0.000 0.000 0.308 300 S C 0.851 175.088 174.600 -0.605 0.000 1.113 300 S CA -0.881 57.065 58.200 -0.422 0.000 1.049 300 S CB 0.777 63.862 63.200 -0.192 0.000 1.001 300 S HN 0.743 nan 8.310 nan 0.000 0.480 301 I N 4.485 124.890 120.570 -0.275 0.000 2.286 301 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 301 I C 2.651 178.859 176.117 0.152 0.000 1.115 301 I CA 1.009 62.291 61.300 -0.030 0.000 1.392 301 I CB -0.143 37.918 38.000 0.103 0.000 1.065 301 I HN 0.669 nan 8.210 nan 0.000 0.418 302 R N 0.339 120.887 120.500 0.081 0.000 2.082 302 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 302 R C 2.513 178.852 176.300 0.065 0.000 1.136 302 R CA 1.946 58.103 56.100 0.095 0.000 0.935 302 R CB -0.551 29.782 30.300 0.056 0.000 0.842 302 R HN 0.252 nan 8.270 nan 0.000 0.430 303 S N 0.219 115.924 115.700 0.008 0.000 2.383 303 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 303 S C 1.367 175.998 174.600 0.052 0.000 1.030 303 S CA 1.320 59.524 58.200 0.006 0.000 1.002 303 S CB -0.366 62.819 63.200 -0.025 0.000 0.829 303 S HN 0.495 nan 8.310 nan 0.000 0.467 304 W N 2.362 123.592 121.300 -0.116 0.000 2.363 304 W HA -0.063 4.597 4.660 -0.000 0.000 0.296 304 W C 1.567 178.105 176.519 0.032 0.000 1.212 304 W CA 0.968 58.307 57.345 -0.009 0.000 1.260 304 W CB -0.427 29.055 29.460 0.036 0.000 1.131 304 W HN 0.188 nan 8.180 nan 0.000 0.530 305 L N 0.455 121.679 121.223 0.001 0.000 2.046 305 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 305 L C 2.336 179.075 176.870 -0.218 0.000 1.077 305 L CA 1.867 56.581 54.840 -0.209 0.000 0.747 305 L CB -0.852 41.235 42.059 0.046 0.000 0.896 305 L HN 0.037 nan 8.230 nan 0.000 0.432 306 E N -0.735 119.402 120.200 -0.106 0.000 2.347 306 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 306 E C 0.355 176.891 176.600 -0.106 0.000 1.008 306 E CA 0.211 56.561 56.400 -0.084 0.000 0.852 306 E CB -0.073 29.607 29.700 -0.034 0.000 0.783 306 E HN 0.270 nan 8.360 nan 0.000 0.505 307 D N 0.817 121.130 120.400 -0.144 0.000 2.365 307 D HA 0.045 4.685 4.640 -0.000 0.000 0.237 307 D C -1.862 174.334 176.300 -0.174 0.000 1.190 307 D CA -2.511 51.417 54.000 -0.121 0.000 0.867 307 D CB 1.307 42.064 40.800 -0.071 0.000 1.050 307 D HN -0.216 nan 8.370 nan 0.000 0.491 308 P HA -0.114 nan 4.420 nan 0.000 0.215 308 P C 0.742 177.990 177.300 -0.086 0.000 1.157 308 P CA 0.906 63.942 63.100 -0.106 0.000 0.868 308 P CB 0.224 31.887 31.700 -0.061 0.000 0.788 309 N N -0.521 118.151 118.700 -0.046 0.000 2.571 309 N HA -0.017 4.722 4.740 -0.000 0.000 0.189 309 N C 1.171 176.688 175.510 0.011 0.000 1.154 309 N CA 0.568 53.614 53.050 -0.006 0.000 0.907 309 N CB -0.482 38.014 38.487 0.015 0.000 0.977 309 N HN 0.143 nan 8.380 nan 0.000 0.449 310 G N -0.053 108.715 108.800 -0.052 0.000 2.491 310 G HA2 0.333 4.293 3.960 -0.000 0.000 0.238 310 G HA3 0.333 4.293 3.960 -0.000 0.000 0.238 310 G C 0.883 175.829 174.900 0.077 0.000 1.277 310 G CA -0.052 45.041 45.100 -0.012 0.000 0.851 310 G HN 0.150 nan 8.290 nan 0.000 0.573 311 G N 1.066 110.067 108.800 0.335 0.000 3.048 311 G HA2 0.252 4.212 3.960 -0.000 0.000 0.151 311 G HA3 0.252 4.212 3.960 -0.000 0.000 0.151 311 G C 0.198 175.373 174.900 0.459 0.000 1.803 311 G CA -0.382 44.918 45.100 0.333 0.000 1.047 311 G HN 0.612 nan 8.290 nan 0.000 0.513 312 N N -0.871 118.120 118.700 0.485 0.000 2.292 312 N HA 0.440 5.179 4.740 -0.000 0.000 0.303 312 N C -1.374 174.304 175.510 0.281 0.000 1.140 312 N CA -0.512 52.797 53.050 0.433 0.000 0.788 312 N CB 2.407 40.978 38.487 0.139 0.000 1.361 312 N HN 0.250 nan 8.380 nan 0.000 0.489 313 L N 1.680 122.902 121.223 -0.002 0.000 2.287 313 L HA 0.516 4.856 4.340 -0.000 0.000 0.287 313 L C -1.293 175.373 176.870 -0.340 0.000 1.022 313 L CA -0.651 53.962 54.840 -0.378 0.000 0.814 313 L CB 0.355 41.858 42.059 -0.926 0.000 1.217 313 L HN 0.389 nan 8.230 nan 0.000 0.420 314 F N 5.624 125.483 119.950 -0.152 0.000 2.402 314 F HA 0.425 4.952 4.527 -0.000 0.000 0.355 314 F C 0.231 175.976 175.800 -0.092 0.000 1.123 314 F CA -0.446 57.512 58.000 -0.070 0.000 1.021 314 F CB 1.293 40.268 39.000 -0.042 0.000 1.160 314 F HN 0.225 nan 8.300 nan 0.000 0.451 315 I N 3.964 124.617 120.570 0.138 0.000 2.287 315 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 315 I C 0.348 176.702 176.117 0.395 0.000 1.069 315 I CA -0.200 61.206 61.300 0.177 0.000 1.237 315 I CB 0.518 38.653 38.000 0.226 0.000 1.418 315 I HN 0.625 nan 8.210 nan 0.000 0.481 316 T N 2.377 117.138 114.554 0.344 0.000 2.938 316 T HA 0.792 5.142 4.350 -0.000 0.000 0.285 316 T C -1.009 173.998 174.700 0.512 0.000 1.028 316 T CA -0.651 61.629 62.100 0.299 0.000 1.005 316 T CB 2.112 71.043 68.868 0.106 0.000 1.157 316 T HN 0.679 nan 8.240 nan 0.000 0.550 317 W N -0.830 120.490 121.300 0.034 0.000 3.338 317 W HA 0.545 5.205 4.660 -0.000 0.000 0.299 317 W C -1.798 174.638 176.519 -0.139 0.000 1.226 317 W CA -1.191 56.142 57.345 -0.019 0.000 1.183 317 W CB 0.631 30.118 29.460 0.045 0.000 1.360 317 W HN 0.808 nan 8.180 nan 0.000 0.569 318 R N 2.530 122.906 120.500 -0.208 0.000 2.340 318 R HA 0.130 4.470 4.340 -0.000 0.000 0.300 318 R C 1.053 177.297 176.300 -0.094 0.000 1.069 318 R CA -0.253 55.650 56.100 -0.328 0.000 0.984 318 R CB 1.146 31.194 30.300 -0.420 0.000 1.003 318 R HN 0.745 nan 8.270 nan 0.000 0.459 319 E N 1.697 121.799 120.200 -0.163 0.000 2.147 319 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 319 E C 1.121 177.767 176.600 0.077 0.000 1.005 319 E CA 1.876 58.285 56.400 0.015 0.000 0.810 319 E CB 0.077 29.750 29.700 -0.045 0.000 0.736 319 E HN 0.652 nan 8.360 nan 0.000 0.460 320 D N -0.310 120.091 120.400 0.001 0.000 2.350 320 D HA -0.178 4.462 4.640 -0.000 0.000 0.216 320 D C 1.375 177.681 176.300 0.009 0.000 0.968 320 D CA 0.930 54.929 54.000 -0.001 0.000 0.894 320 D CB -0.131 40.648 40.800 -0.035 0.000 0.909 320 D HN 0.277 nan 8.370 nan 0.000 0.520 321 M N -0.313 119.314 119.600 0.045 0.000 2.346 321 M HA 0.298 4.778 4.480 -0.000 0.000 0.280 321 M C 1.833 178.177 176.300 0.073 0.000 1.075 321 M CA 0.057 55.372 55.300 0.025 0.000 0.989 321 M CB 1.256 33.830 32.600 -0.042 0.000 1.447 321 M HN 0.064 nan 8.290 nan 0.000 0.511 322 G N 2.845 111.745 108.800 0.166 0.000 2.491 322 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 322 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 322 G C -0.574 174.282 174.900 -0.073 0.000 1.180 322 G CA 0.783 45.924 45.100 0.069 0.000 0.774 322 G HN 0.324 nan 8.290 nan 0.000 0.562 323 P HA -0.073 nan 4.420 nan 0.000 0.216 323 P C 2.048 179.317 177.300 -0.051 0.000 1.150 323 P CA 2.002 65.081 63.100 -0.034 0.000 0.837 323 P CB -0.175 31.521 31.700 -0.006 0.000 0.786 324 A N 0.314 123.109 122.820 -0.043 0.000 1.902 324 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 324 A C 2.349 179.892 177.584 -0.068 0.000 1.181 324 A CA 1.334 53.350 52.037 -0.036 0.000 0.623 324 A CB -1.523 17.463 19.000 -0.022 0.000 0.818 324 A HN 0.161 nan 8.150 nan 0.000 0.443 325 L N -1.138 120.013 121.223 -0.120 0.000 2.599 325 L HA 0.051 4.391 4.340 -0.000 0.000 0.230 325 L C 2.405 179.096 176.870 -0.298 0.000 1.141 325 L CA 0.334 55.051 54.840 -0.205 0.000 0.877 325 L CB -0.341 41.581 42.059 -0.228 0.000 1.009 325 L HN 0.453 nan 8.230 nan 0.000 0.447 326 R N 1.420 121.774 120.500 -0.243 0.000 2.113 326 R HA -0.175 4.165 4.340 -0.000 0.000 0.244 326 R C -0.477 175.708 176.300 -0.191 0.000 1.142 326 R CA 2.017 57.980 56.100 -0.227 0.000 0.953 326 R CB -0.980 29.238 30.300 -0.138 0.000 0.860 326 R HN 0.238 nan 8.270 nan 0.000 0.438 327 P HA -0.156 nan 4.420 nan 0.000 0.221 327 P C 1.468 178.673 177.300 -0.158 0.000 1.150 327 P CA 1.086 64.128 63.100 -0.097 0.000 0.800 327 P CB -0.058 31.628 31.700 -0.023 0.000 0.787 328 L N -0.539 120.483 121.223 -0.335 0.000 2.049 328 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 328 L C 2.620 178.998 176.870 -0.820 0.000 1.074 328 L CA 1.173 55.586 54.840 -0.711 0.000 0.749 328 L CB -0.590 40.948 42.059 -0.868 0.000 0.907 328 L HN -0.188 nan 8.230 nan 0.000 0.439 329 I N -0.442 119.790 120.570 -0.563 0.000 2.264 329 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 329 I C 2.484 178.512 176.117 -0.149 0.000 1.111 329 I CA 1.272 62.396 61.300 -0.293 0.000 1.382 329 I CB -0.199 37.583 38.000 -0.364 0.000 1.060 329 I HN 0.223 nan 8.210 nan 0.000 0.418 330 S N 0.595 116.197 115.700 -0.164 0.000 2.402 330 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 330 S C 2.246 176.835 174.600 -0.018 0.000 1.021 330 S CA 1.110 59.276 58.200 -0.058 0.000 0.974 330 S CB -0.260 62.906 63.200 -0.057 0.000 0.800 330 S HN 0.546 nan 8.310 nan 0.000 0.484 331 A N 1.325 124.091 122.820 -0.091 0.000 1.877 331 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 331 A C 1.878 179.498 177.584 0.060 0.000 1.186 331 A CA 1.171 53.203 52.037 -0.009 0.000 0.620 331 A CB -0.791 18.206 19.000 -0.005 0.000 0.822 331 A HN 0.608 nan 8.150 nan 0.000 0.443 332 W N -0.015 121.233 121.300 -0.087 0.000 2.379 332 W HA -0.080 4.580 4.660 -0.000 0.000 0.307 332 W C 2.377 178.881 176.519 -0.026 0.000 1.200 332 W CA 1.041 58.294 57.345 -0.153 0.000 1.297 332 W CB -1.380 27.922 29.460 -0.264 0.000 1.140 332 W HN 0.178 nan 8.180 nan 0.000 0.507 333 V N 0.561 120.613 119.914 0.230 0.000 2.287 333 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 333 V C 1.823 178.015 176.094 0.164 0.000 1.053 333 V CA 2.502 64.907 62.300 0.174 0.000 1.027 333 V CB -1.127 30.779 31.823 0.139 0.000 0.646 333 V HN 0.035 nan 8.190 nan 0.000 0.447 334 D N -0.534 119.958 120.400 0.154 0.000 2.178 334 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 334 D C 1.971 178.390 176.300 0.198 0.000 0.974 334 D CA 0.976 55.064 54.000 0.147 0.000 0.841 334 D CB 0.042 40.915 40.800 0.121 0.000 0.953 334 D HN 0.219 nan 8.370 nan 0.000 0.478 335 V N -0.287 119.798 119.914 0.285 0.000 2.407 335 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 335 V C 2.410 178.704 176.094 0.333 0.000 1.055 335 V CA 1.071 63.623 62.300 0.420 0.000 1.049 335 V CB -0.184 31.919 31.823 0.466 0.000 0.662 335 V HN 0.183 nan 8.190 nan 0.000 0.455 336 V N -1.135 118.928 119.914 0.249 0.000 2.358 336 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 336 V C 2.505 178.702 176.094 0.172 0.000 1.047 336 V CA 2.099 64.530 62.300 0.218 0.000 1.035 336 V CB -0.716 31.227 31.823 0.199 0.000 0.658 336 V HN 0.643 nan 8.190 nan 0.000 0.452 337 C N 0.245 119.629 119.300 0.141 0.000 2.425 337 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 337 C C 2.901 177.934 174.990 0.071 0.000 1.280 337 C CA 1.781 60.851 59.018 0.086 0.000 1.744 337 C CB -1.273 26.508 27.740 0.069 0.000 1.989 337 C HN 0.689 nan 8.230 nan 0.000 0.491 338 T N -0.220 114.386 114.554 0.086 0.000 2.939 338 T HA -0.061 4.289 4.350 -0.000 0.000 0.254 338 T C 1.973 176.726 174.700 0.090 0.000 1.041 338 T CA 1.344 63.467 62.100 0.038 0.000 1.142 338 T CB -0.342 68.480 68.868 -0.078 0.000 0.874 338 T HN 0.475 nan 8.240 nan 0.000 0.452 339 S N 2.394 118.202 115.700 0.179 0.000 2.374 339 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 339 S C 2.156 176.838 174.600 0.137 0.000 1.037 339 S CA 1.579 59.905 58.200 0.211 0.000 1.024 339 S CB -0.601 62.765 63.200 0.276 0.000 0.861 339 S HN 0.715 nan 8.310 nan 0.000 0.456 340 I N -0.237 120.401 120.570 0.113 0.000 2.657 340 I HA -0.054 4.116 4.170 -0.000 0.000 0.261 340 I C 1.585 177.730 176.117 0.047 0.000 1.212 340 I CA 1.136 62.479 61.300 0.071 0.000 1.453 340 I CB -0.546 37.487 38.000 0.056 0.000 1.092 340 I HN 0.072 nan 8.210 nan 0.000 0.452 341 L N 0.152 121.406 121.223 0.051 0.000 2.465 341 L HA 0.061 4.401 4.340 -0.000 0.000 0.224 341 L C 2.035 178.931 176.870 0.043 0.000 1.145 341 L CA 1.267 56.126 54.840 0.032 0.000 0.834 341 L CB -0.711 41.362 42.059 0.023 0.000 0.944 341 L HN 0.303 nan 8.230 nan 0.000 0.451 342 S N -1.445 114.297 115.700 0.070 0.000 2.539 342 S HA 0.299 4.769 4.470 -0.000 0.000 0.221 342 S C 0.685 175.320 174.600 0.058 0.000 0.987 342 S CA -0.440 57.809 58.200 0.081 0.000 0.929 342 S CB 0.200 63.478 63.200 0.132 0.000 0.832 342 S HN 0.114 nan 8.310 nan 0.000 0.492 343 L N 3.794 125.043 121.223 0.043 0.000 2.483 343 L HA 0.193 4.533 4.340 -0.000 0.000 0.276 343 L C -1.795 175.081 176.870 0.009 0.000 1.213 343 L CA -1.393 53.460 54.840 0.021 0.000 0.843 343 L CB -0.149 41.914 42.059 0.006 0.000 1.107 343 L HN 0.071 nan 8.230 nan 0.000 0.487 344 P HA 0.002 nan 4.420 nan 0.000 0.271 344 P C -0.666 176.627 177.300 -0.012 0.000 1.216 344 P CA -0.480 62.618 63.100 -0.002 0.000 0.776 344 P CB 0.724 32.422 31.700 -0.005 0.000 0.881 345 E N 2.005 122.198 120.200 -0.012 0.000 2.603 345 E HA -0.081 4.269 4.350 -0.000 0.000 0.242 345 E C -0.482 176.104 176.600 -0.022 0.000 1.083 345 E CA 0.675 57.065 56.400 -0.018 0.000 0.950 345 E CB -0.385 29.306 29.700 -0.016 0.000 0.952 345 E HN 0.271 nan 8.360 nan 0.000 0.498 346 E N 5.549 125.732 120.200 -0.028 0.000 2.373 346 E HA 0.338 4.688 4.350 -0.000 0.000 0.251 346 E C -2.377 174.201 176.600 -0.038 0.000 0.923 346 E CA -2.282 54.099 56.400 -0.032 0.000 0.798 346 E CB 1.321 31.000 29.700 -0.036 0.000 1.303 346 E HN 0.292 nan 8.360 nan 0.000 0.412 347 P HA -0.109 nan 4.420 nan 0.000 0.221 347 P C 0.155 177.431 177.300 -0.040 0.000 1.145 347 P CA 1.104 64.181 63.100 -0.038 0.000 0.795 347 P CB 0.298 31.979 31.700 -0.032 0.000 0.775 348 K N -1.062 119.316 120.400 -0.036 0.000 2.404 348 K HA 0.068 4.388 4.320 -0.000 0.000 0.194 348 K C 0.917 177.494 176.600 -0.039 0.000 1.023 348 K CA -0.161 56.106 56.287 -0.033 0.000 1.094 348 K CB 0.218 32.703 32.500 -0.026 0.000 0.841 348 K HN 0.095 nan 8.250 nan 0.000 0.523 349 R N 1.804 122.274 120.500 -0.050 0.000 2.340 349 R HA 0.168 4.507 4.340 -0.000 0.000 0.300 349 R C -0.755 175.500 176.300 -0.074 0.000 1.069 349 R CA -0.135 55.930 56.100 -0.059 0.000 0.984 349 R CB 0.571 30.831 30.300 -0.067 0.000 1.003 349 R HN -0.057 nan 8.270 nan 0.000 0.459 350 R N 4.860 125.319 120.500 -0.067 0.000 2.467 350 R HA 0.324 4.664 4.340 -0.000 0.000 0.299 350 R C -1.276 174.973 176.300 -0.087 0.000 1.120 350 R CA -0.538 55.497 56.100 -0.108 0.000 0.940 350 R CB 1.486 31.760 30.300 -0.044 0.000 1.161 350 R HN 0.421 nan 8.270 nan 0.000 0.506 351 L N 3.836 124.965 121.223 -0.156 0.000 2.325 351 L HA 0.521 4.861 4.340 -0.000 0.000 0.281 351 L C -1.207 175.592 176.870 -0.119 0.000 1.004 351 L CA -0.713 54.097 54.840 -0.049 0.000 0.823 351 L CB 1.077 43.123 42.059 -0.020 0.000 1.236 351 L HN 0.591 nan 8.230 nan 0.000 0.415 352 W N 5.450 126.804 121.300 0.091 0.000 2.449 352 W HA 0.484 5.144 4.660 -0.000 0.000 0.331 352 W C -0.337 176.247 176.519 0.108 0.000 1.119 352 W CA -0.362 57.026 57.345 0.072 0.000 1.240 352 W CB 1.250 30.815 29.460 0.175 0.000 1.251 352 W HN 0.212 nan 8.180 nan 0.000 0.576 353 L N 4.169 125.522 121.223 0.217 0.000 2.377 353 L HA 0.448 4.788 4.340 -0.000 0.000 0.270 353 L C -1.664 175.279 176.870 0.121 0.000 0.991 353 L CA -0.757 54.203 54.840 0.199 0.000 0.851 353 L CB 0.378 42.507 42.059 0.116 0.000 1.218 353 L HN 0.345 nan 8.230 nan 0.000 0.420 354 F N 5.617 125.681 119.950 0.189 0.000 2.371 354 F HA 0.405 4.931 4.527 -0.000 0.000 0.363 354 F C 0.539 176.430 175.800 0.152 0.000 1.122 354 F CA -0.339 57.758 58.000 0.162 0.000 1.129 354 F CB 1.155 40.218 39.000 0.106 0.000 1.173 354 F HN 0.273 nan 8.300 nan 0.000 0.489 355 I N 4.675 125.408 120.570 0.271 0.000 2.503 355 I HA 0.070 4.240 4.170 -0.000 0.000 0.277 355 I C 0.871 177.114 176.117 0.211 0.000 1.078 355 I CA -0.428 61.009 61.300 0.229 0.000 1.184 355 I CB 0.603 38.711 38.000 0.179 0.000 1.353 355 I HN 0.608 nan 8.210 nan 0.000 0.490 356 D N 3.829 124.374 120.400 0.241 0.000 2.200 356 D HA -0.277 4.363 4.640 -0.000 0.000 0.192 356 D C 0.468 176.855 176.300 0.146 0.000 1.008 356 D CA 1.781 55.898 54.000 0.195 0.000 0.872 356 D CB 0.357 41.270 40.800 0.189 0.000 0.923 356 D HN 0.419 nan 8.370 nan 0.000 0.447 357 E N -1.149 119.144 120.200 0.155 0.000 2.528 357 E HA 0.231 4.581 4.350 -0.000 0.000 0.277 357 E C 0.324 176.992 176.600 0.114 0.000 0.980 357 E CA -0.433 56.036 56.400 0.115 0.000 0.796 357 E CB 0.902 30.675 29.700 0.122 0.000 1.427 357 E HN 0.029 nan 8.360 nan 0.000 0.394 358 L N 3.286 124.562 121.223 0.088 0.000 2.081 358 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 358 L C 1.668 178.626 176.870 0.146 0.000 1.080 358 L CA 2.710 57.614 54.840 0.107 0.000 0.754 358 L CB -0.239 41.851 42.059 0.053 0.000 0.893 358 L HN 0.579 nan 8.230 nan 0.000 0.433 359 A N -2.232 120.659 122.820 0.119 0.000 2.235 359 A HA 0.018 4.338 4.320 -0.000 0.000 0.208 359 A C 2.208 179.853 177.584 0.102 0.000 1.172 359 A CA 1.122 53.242 52.037 0.138 0.000 0.786 359 A CB -0.514 18.547 19.000 0.100 0.000 0.804 359 A HN 0.494 nan 8.150 nan 0.000 0.479 360 S N -0.501 115.255 115.700 0.094 0.000 2.501 360 S HA 0.257 4.727 4.470 -0.000 0.000 0.220 360 S C 0.754 175.372 174.600 0.030 0.000 0.997 360 S CA -0.000 58.240 58.200 0.068 0.000 0.919 360 S CB -0.168 63.091 63.200 0.098 0.000 0.778 360 S HN 0.500 nan 8.310 nan 0.000 0.523 361 L N 1.195 122.447 121.223 0.048 0.000 2.472 361 L HA 0.395 4.735 4.340 -0.000 0.000 0.256 361 L C 0.760 177.624 176.870 -0.009 0.000 1.111 361 L CA -0.759 54.086 54.840 0.008 0.000 0.800 361 L CB 0.412 42.500 42.059 0.049 0.000 1.286 361 L HN 0.115 nan 8.230 nan 0.000 0.479 362 E N 0.015 120.186 120.200 -0.049 0.000 2.385 362 E HA 0.098 4.448 4.350 -0.000 0.000 0.254 362 E C -0.571 175.901 176.600 -0.214 0.000 1.228 362 E CA -0.730 55.602 56.400 -0.113 0.000 0.956 362 E CB 0.609 30.254 29.700 -0.092 0.000 1.116 362 E HN 0.273 nan 8.360 nan 0.000 0.507 363 K N 1.996 122.171 120.400 -0.376 0.000 2.165 363 K HA 0.053 4.373 4.320 -0.000 0.000 0.270 363 K C -0.413 176.049 176.600 -0.231 0.000 1.091 363 K CA -0.100 55.784 56.287 -0.671 0.000 1.019 363 K CB -0.657 31.509 32.500 -0.557 0.000 1.101 363 K HN 0.290 nan 8.250 nan 0.000 0.397 364 L N 3.481 124.701 121.223 -0.006 0.000 2.499 364 L HA -0.026 4.314 4.340 -0.000 0.000 0.273 364 L C 1.508 178.445 176.870 0.111 0.000 1.195 364 L CA -0.295 54.605 54.840 0.101 0.000 0.882 364 L CB 0.747 42.909 42.059 0.172 0.000 1.133 364 L HN 0.698 nan 8.230 nan 0.000 0.483 365 A N 2.250 125.105 122.820 0.057 0.000 2.016 365 A HA -0.051 4.268 4.320 -0.000 0.000 0.217 365 A C 1.975 179.583 177.584 0.041 0.000 1.162 365 A CA 1.288 53.350 52.037 0.041 0.000 0.662 365 A CB -0.075 18.934 19.000 0.015 0.000 0.812 365 A HN 0.766 nan 8.150 nan 0.000 0.450 366 S N -0.778 114.949 115.700 0.045 0.000 2.523 366 S HA 0.228 4.698 4.470 -0.000 0.000 0.217 366 S C 1.493 176.107 174.600 0.023 0.000 0.996 366 S CA -0.249 57.967 58.200 0.026 0.000 0.921 366 S CB -0.000 63.211 63.200 0.019 0.000 0.829 366 S HN 0.473 nan 8.310 nan 0.000 0.495 367 L N 1.956 123.206 121.223 0.046 0.000 2.013 367 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 367 L C 2.653 179.492 176.870 -0.051 0.000 1.073 367 L CA 1.882 56.729 54.840 0.012 0.000 0.753 367 L CB -0.761 41.335 42.059 0.061 0.000 0.890 367 L HN 0.416 nan 8.230 nan 0.000 0.432 368 A N -0.160 122.643 122.820 -0.028 0.000 1.873 368 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 368 A C 1.844 179.387 177.584 -0.068 0.000 1.193 368 A CA 2.252 54.254 52.037 -0.058 0.000 0.629 368 A CB -0.773 18.214 19.000 -0.021 0.000 0.826 368 A HN 0.540 nan 8.150 nan 0.000 0.447 369 D N -0.218 120.157 120.400 -0.043 0.000 2.219 369 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 369 D C 2.131 178.402 176.300 -0.048 0.000 0.970 369 D CA 1.246 55.222 54.000 -0.040 0.000 0.851 369 D CB -0.328 40.455 40.800 -0.028 0.000 0.943 369 D HN 0.470 nan 8.370 nan 0.000 0.488 370 A N 0.770 123.554 122.820 -0.060 0.000 1.930 370 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 370 A C 2.209 179.723 177.584 -0.116 0.000 1.175 370 A CA 0.634 52.629 52.037 -0.070 0.000 0.627 370 A CB -0.570 18.389 19.000 -0.068 0.000 0.815 370 A HN 0.200 nan 8.150 nan 0.000 0.443 371 L N -0.958 120.144 121.223 -0.202 0.000 2.599 371 L HA 0.014 4.354 4.340 -0.000 0.000 0.230 371 L C 1.861 178.724 176.870 -0.012 0.000 1.141 371 L CA 0.909 55.576 54.840 -0.289 0.000 0.877 371 L CB -0.094 41.660 42.059 -0.508 0.000 1.009 371 L HN 0.327 nan 8.230 nan 0.000 0.447 372 T N -1.553 112.984 114.554 -0.029 0.000 2.989 372 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 372 T C 1.207 175.897 174.700 -0.017 0.000 0.981 372 T CA 0.255 62.343 62.100 -0.020 0.000 0.980 372 T CB 0.536 69.380 68.868 -0.039 0.000 1.133 372 T HN 0.157 nan 8.240 nan 0.000 0.489 373 K N 0.786 121.175 120.400 -0.018 0.000 2.564 373 K HA 0.367 4.687 4.320 -0.000 0.000 0.205 373 K C 1.256 177.845 176.600 -0.018 0.000 1.053 373 K CA -0.169 56.105 56.287 -0.022 0.000 1.072 373 K CB 1.069 33.554 32.500 -0.025 0.000 0.822 373 K HN 0.150 nan 8.250 nan 0.000 0.497 374 G N 0.748 109.544 108.800 -0.006 0.000 3.126 374 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.224 374 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.224 374 G C 1.178 176.059 174.900 -0.032 0.000 1.142 374 G CA -0.232 44.863 45.100 -0.009 0.000 0.759 374 G HN 0.100 nan 8.290 nan 0.000 0.550 375 R N 0.880 121.351 120.500 -0.050 0.000 2.080 375 R HA -0.066 4.274 4.340 -0.000 0.000 0.236 375 R C 2.196 178.451 176.300 -0.074 0.000 1.137 375 R CA 1.482 57.531 56.100 -0.085 0.000 0.943 375 R CB -0.199 30.047 30.300 -0.090 0.000 0.846 375 R HN 0.212 nan 8.270 nan 0.000 0.431 376 K N -0.490 119.877 120.400 -0.055 0.000 2.152 376 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 376 K C 1.826 178.398 176.600 -0.047 0.000 1.048 376 K CA 1.424 57.682 56.287 -0.048 0.000 0.933 376 K CB -0.057 32.422 32.500 -0.036 0.000 0.721 376 K HN 0.232 nan 8.250 nan 0.000 0.447 377 A N 0.026 122.820 122.820 -0.043 0.000 2.169 377 A HA 0.156 4.475 4.320 -0.000 0.000 0.212 377 A C 1.293 178.840 177.584 -0.063 0.000 1.153 377 A CA 0.895 52.907 52.037 -0.041 0.000 0.756 377 A CB -0.100 18.886 19.000 -0.023 0.000 0.813 377 A HN 0.402 nan 8.150 nan 0.000 0.471 378 G N -1.044 107.705 108.800 -0.084 0.000 2.149 378 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.235 378 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.235 378 G C 0.031 174.833 174.900 -0.164 0.000 1.018 378 G CA 0.181 45.205 45.100 -0.126 0.000 0.728 378 G HN 0.564 nan 8.290 nan 0.000 0.508 379 L N 0.047 121.202 121.223 -0.114 0.000 2.380 379 L HA 0.576 4.916 4.340 -0.000 0.000 0.273 379 L C 0.467 177.255 176.870 -0.136 0.000 1.138 379 L CA -0.136 54.645 54.840 -0.098 0.000 0.832 379 L CB 0.474 42.522 42.059 -0.018 0.000 1.124 379 L HN 0.298 nan 8.230 nan 0.000 0.454 380 R N 4.045 124.392 120.500 -0.256 0.000 2.468 380 R HA 0.417 4.757 4.340 -0.000 0.000 0.302 380 R C -1.242 174.993 176.300 -0.107 0.000 1.041 380 R CA -0.600 55.281 56.100 -0.366 0.000 0.899 380 R CB 1.993 31.522 30.300 -1.285 0.000 1.167 380 R HN 0.357 nan 8.270 nan 0.000 0.483 381 V N 3.893 123.912 119.914 0.176 0.000 2.439 381 V HA 0.382 4.502 4.120 -0.000 0.000 0.282 381 V C 0.000 176.228 176.094 0.223 0.000 1.039 381 V CA -0.703 61.636 62.300 0.064 0.000 0.913 381 V CB 1.805 33.492 31.823 -0.226 0.000 0.983 381 V HN 0.382 nan 8.190 nan 0.000 0.460 382 V N 4.130 124.095 119.914 0.084 0.000 2.444 382 V HA 0.875 4.995 4.120 -0.000 0.000 0.294 382 V C 0.175 176.310 176.094 0.069 0.000 1.022 382 V CA -0.334 61.998 62.300 0.052 0.000 0.850 382 V CB 1.507 33.183 31.823 -0.244 0.000 0.992 382 V HN 1.035 nan 8.190 nan 0.000 0.426 383 A N 3.428 126.258 122.820 0.017 0.000 2.454 383 A HA 0.972 5.292 4.320 -0.000 0.000 0.302 383 A C -0.056 177.459 177.584 -0.114 0.000 1.079 383 A CA -0.238 51.767 52.037 -0.052 0.000 0.731 383 A CB 1.999 20.913 19.000 -0.143 0.000 1.299 383 A HN 1.062 nan 8.150 nan 0.000 0.413 384 G N -0.071 108.708 108.800 -0.036 0.000 2.432 384 G HA2 0.626 4.585 3.960 -0.000 0.000 0.331 384 G HA3 0.626 4.585 3.960 -0.000 0.000 0.331 384 G C -1.424 173.451 174.900 -0.041 0.000 1.170 384 G CA -0.318 44.764 45.100 -0.029 0.000 0.943 384 G HN 0.556 nan 8.290 nan 0.000 0.483 385 L N -0.552 120.644 121.223 -0.044 0.000 2.409 385 L HA 0.544 4.884 4.340 -0.000 0.000 0.255 385 L C 0.692 177.556 176.870 -0.009 0.000 1.027 385 L CA -0.601 54.220 54.840 -0.032 0.000 0.834 385 L CB 2.067 44.085 42.059 -0.069 0.000 1.426 385 L HN 0.729 nan 8.230 nan 0.000 0.411 386 Q N -0.592 119.209 119.800 0.003 0.000 2.546 386 Q HA 0.356 4.696 4.340 -0.000 0.000 0.203 386 Q C -0.625 175.380 176.000 0.007 0.000 0.740 386 Q CA 0.098 55.907 55.803 0.010 0.000 0.879 386 Q CB 1.156 29.906 28.738 0.019 0.000 1.265 386 Q HN 0.681 nan 8.270 nan 0.000 0.585 387 S N 0.497 116.203 115.700 0.011 0.000 2.503 387 S HA 0.190 4.660 4.470 -0.000 0.000 0.301 387 S C 0.452 175.057 174.600 0.010 0.000 1.087 387 S CA -0.125 58.081 58.200 0.010 0.000 1.042 387 S CB 1.763 64.971 63.200 0.015 0.000 1.043 387 S HN 0.501 nan 8.310 nan 0.000 0.489 388 T N -0.758 113.799 114.554 0.006 0.000 2.977 388 T HA -0.126 4.223 4.350 -0.000 0.000 0.271 388 T C 1.789 176.499 174.700 0.018 0.000 1.105 388 T CA 1.318 63.422 62.100 0.007 0.000 1.116 388 T CB -0.486 68.384 68.868 0.003 0.000 0.878 388 T HN 0.600 nan 8.240 nan 0.000 0.509 389 S N 1.220 116.931 115.700 0.019 0.000 2.461 389 S HA -0.064 4.406 4.470 -0.000 0.000 0.228 389 S C 2.070 176.691 174.600 0.034 0.000 1.005 389 S CA 0.191 58.405 58.200 0.024 0.000 0.942 389 S CB -0.424 62.788 63.200 0.019 0.000 0.776 389 S HN 0.611 nan 8.310 nan 0.000 0.514 390 Q N 0.626 120.448 119.800 0.037 0.000 1.993 390 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 390 Q C 2.218 178.265 176.000 0.078 0.000 0.984 390 Q CA 1.470 57.303 55.803 0.049 0.000 0.837 390 Q CB -0.430 28.336 28.738 0.046 0.000 0.902 390 Q HN 0.459 nan 8.270 nan 0.000 0.423 391 L N 1.286 122.561 121.223 0.086 0.000 2.083 391 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 391 L C 1.437 178.409 176.870 0.170 0.000 1.083 391 L CA 1.817 56.744 54.840 0.145 0.000 0.752 391 L CB -0.362 41.733 42.059 0.060 0.000 0.899 391 L HN 0.118 nan 8.230 nan 0.000 0.433 392 D N -0.608 119.850 120.400 0.096 0.000 2.123 392 D HA -0.217 4.423 4.640 -0.000 0.000 0.196 392 D C 1.832 178.180 176.300 0.080 0.000 0.992 392 D CA 1.470 55.519 54.000 0.081 0.000 0.833 392 D CB -0.111 40.717 40.800 0.046 0.000 0.954 392 D HN 0.435 nan 8.370 nan 0.000 0.455 393 D N -0.710 119.728 120.400 0.064 0.000 2.144 393 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 393 D C 1.940 178.256 176.300 0.027 0.000 0.978 393 D CA 0.561 54.584 54.000 0.038 0.000 0.833 393 D CB 0.219 41.036 40.800 0.028 0.000 0.961 393 D HN -0.004 nan 8.370 nan 0.000 0.470 394 V N -0.460 119.485 119.914 0.051 0.000 2.407 394 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 394 V C 1.556 177.558 176.094 -0.153 0.000 1.041 394 V CA 1.345 63.620 62.300 -0.042 0.000 1.040 394 V CB -0.552 31.258 31.823 -0.022 0.000 0.671 394 V HN 0.255 nan 8.190 nan 0.000 0.455 395 Y N 0.251 120.553 120.300 0.003 0.000 2.497 395 Y HA 0.529 5.078 4.550 -0.000 0.000 0.265 395 Y C 1.342 177.239 175.900 -0.005 0.000 1.111 395 Y CA 0.420 58.520 58.100 0.001 0.000 1.288 395 Y CB 0.237 38.705 38.460 0.012 0.000 1.082 395 Y HN 0.346 nan 8.280 nan 0.000 0.536 396 G N -0.406 108.471 108.800 0.128 0.000 2.690 396 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.686 396 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.686 396 G C 0.396 175.343 174.900 0.078 0.000 1.277 396 G CA -0.493 44.649 45.100 0.070 0.000 0.799 396 G HN -0.053 nan 8.290 nan 0.000 0.613 397 V N 1.680 121.621 119.914 0.046 0.000 2.255 397 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 397 V C 3.022 179.136 176.094 0.033 0.000 1.051 397 V CA 2.653 64.975 62.300 0.036 0.000 1.018 397 V CB -0.517 31.319 31.823 0.022 0.000 0.641 397 V HN 0.740 nan 8.190 nan 0.000 0.445 398 K N -0.009 120.408 120.400 0.029 0.000 2.002 398 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 398 K C 2.143 178.760 176.600 0.029 0.000 1.048 398 K CA 1.752 58.052 56.287 0.023 0.000 0.930 398 K CB -0.465 32.045 32.500 0.017 0.000 0.714 398 K HN 0.550 nan 8.250 nan 0.000 0.438 399 E N 0.132 120.362 120.200 0.051 0.000 2.150 399 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 399 E C 1.772 178.392 176.600 0.033 0.000 0.985 399 E CA 0.962 57.402 56.400 0.068 0.000 0.814 399 E CB 0.023 29.807 29.700 0.139 0.000 0.752 399 E HN 0.320 nan 8.360 nan 0.000 0.466 400 A N 0.595 123.442 122.820 0.045 0.000 1.930 400 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 400 A C 2.095 179.664 177.584 -0.025 0.000 1.175 400 A CA 1.478 53.505 52.037 -0.017 0.000 0.627 400 A CB -0.477 18.548 19.000 0.043 0.000 0.815 400 A HN 0.325 nan 8.150 nan 0.000 0.443 401 Q N -0.583 119.218 119.800 0.002 0.000 2.050 401 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 401 Q C 1.979 177.983 176.000 0.006 0.000 0.980 401 Q CA 2.120 57.927 55.803 0.006 0.000 0.840 401 Q CB -0.317 28.426 28.738 0.009 0.000 0.898 401 Q HN 0.563 nan 8.270 nan 0.000 0.424 402 T N 1.560 116.113 114.554 -0.002 0.000 2.746 402 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 402 T C 1.735 176.426 174.700 -0.015 0.000 1.039 402 T CA 1.181 63.276 62.100 -0.007 0.000 1.142 402 T CB -0.255 68.608 68.868 -0.009 0.000 0.866 402 T HN 0.168 nan 8.240 nan 0.000 0.444 403 L N 1.227 122.424 121.223 -0.042 0.000 1.994 403 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 403 L C 2.554 179.491 176.870 0.111 0.000 1.071 403 L CA 1.718 56.529 54.840 -0.049 0.000 0.745 403 L CB -0.488 41.443 42.059 -0.213 0.000 0.892 403 L HN 0.108 nan 8.230 nan 0.000 0.431 404 R N -0.781 119.782 120.500 0.105 0.000 2.091 404 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 404 R C 2.133 178.571 176.300 0.231 0.000 1.136 404 R CA 1.306 57.522 56.100 0.192 0.000 0.959 404 R CB -0.788 29.546 30.300 0.056 0.000 0.856 404 R HN 0.466 nan 8.270 nan 0.000 0.437 405 A N 0.680 123.566 122.820 0.111 0.000 2.131 405 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 405 A C 1.943 179.571 177.584 0.074 0.000 1.158 405 A CA 1.481 53.566 52.037 0.080 0.000 0.665 405 A CB -0.248 18.774 19.000 0.037 0.000 0.795 405 A HN 0.213 nan 8.150 nan 0.000 0.460 406 S N -1.207 114.522 115.700 0.048 0.000 2.562 406 S HA 0.210 4.680 4.470 -0.000 0.000 0.221 406 S C -0.218 174.315 174.600 -0.112 0.000 0.975 406 S CA -0.029 58.130 58.200 -0.068 0.000 0.918 406 S CB -0.255 62.831 63.200 -0.189 0.000 0.772 406 S HN 0.459 nan 8.310 nan 0.000 0.531 407 F N 2.177 122.169 119.950 0.070 0.000 2.334 407 F HA 0.406 4.933 4.527 -0.000 0.000 0.367 407 F C 1.309 177.152 175.800 0.072 0.000 1.115 407 F CA -0.906 57.158 58.000 0.107 0.000 1.116 407 F CB 0.836 39.877 39.000 0.068 0.000 1.230 407 F HN -0.182 nan 8.300 nan 0.000 0.484 408 R N 0.525 121.137 120.500 0.187 0.000 2.148 408 R HA 0.055 4.395 4.340 -0.000 0.000 0.223 408 R C 0.196 176.583 176.300 0.145 0.000 1.088 408 R CA 0.324 56.497 56.100 0.121 0.000 0.985 408 R CB -0.305 30.025 30.300 0.051 0.000 0.880 408 R HN 0.359 nan 8.270 nan 0.000 0.451 409 S N 1.134 116.949 115.700 0.191 0.000 2.475 409 S HA 0.485 4.955 4.470 -0.000 0.000 0.298 409 S C -0.588 174.086 174.600 0.124 0.000 1.119 409 S CA -0.705 57.603 58.200 0.181 0.000 1.085 409 S CB 1.829 65.195 63.200 0.277 0.000 1.028 409 S HN 0.057 nan 8.310 nan 0.000 0.489 410 L N 3.626 124.873 121.223 0.039 0.000 2.381 410 L HA 0.780 5.120 4.340 -0.000 0.000 0.268 410 L C -1.498 175.344 176.870 -0.046 0.000 0.997 410 L CA -0.478 54.362 54.840 0.001 0.000 0.818 410 L CB 1.868 43.930 42.059 0.006 0.000 1.310 410 L HN 0.460 nan 8.230 nan 0.000 0.416 411 V N 5.204 125.098 119.914 -0.033 0.000 2.483 411 V HA 0.521 4.641 4.120 -0.000 0.000 0.297 411 V C -0.716 175.383 176.094 0.008 0.000 1.027 411 V CA -0.671 61.613 62.300 -0.026 0.000 0.855 411 V CB 1.956 33.762 31.823 -0.027 0.000 0.995 411 V HN 0.520 nan 8.190 nan 0.000 0.424 412 V N 6.526 126.472 119.914 0.054 0.000 2.370 412 V HA 0.367 4.487 4.120 -0.000 0.000 0.283 412 V C 0.579 176.733 176.094 0.100 0.000 1.023 412 V CA -0.153 62.194 62.300 0.080 0.000 0.857 412 V CB 1.658 33.546 31.823 0.108 0.000 0.985 412 V HN 0.769 nan 8.190 nan 0.000 0.443 413 L N 3.980 125.239 121.223 0.060 0.000 2.640 413 L HA 0.469 4.809 4.340 -0.000 0.000 0.230 413 L C 1.058 177.958 176.870 0.050 0.000 1.123 413 L CA 0.495 55.361 54.840 0.044 0.000 0.900 413 L CB 0.037 42.112 42.059 0.027 0.000 1.146 413 L HN 0.981 nan 8.230 nan 0.000 0.484 414 G N -0.010 108.832 108.800 0.070 0.000 3.153 414 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 414 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 414 G C -0.154 174.770 174.900 0.039 0.000 0.995 414 G CA -0.456 44.682 45.100 0.064 0.000 0.783 414 G HN 0.360 nan 8.290 nan 0.000 0.551 415 G N -0.059 108.762 108.800 0.034 0.000 2.938 415 G HA2 0.871 4.831 3.960 -0.000 0.000 0.258 415 G HA3 0.871 4.831 3.960 -0.000 0.000 0.258 415 G C 0.403 175.315 174.900 0.021 0.000 1.356 415 G CA 0.562 45.677 45.100 0.024 0.000 1.052 415 G HN 1.709 nan 8.290 nan 0.000 0.550 416 S N -1.535 114.175 115.700 0.016 0.000 2.592 416 S HA 0.150 4.620 4.470 -0.000 0.000 0.271 416 S C 1.756 176.364 174.600 0.013 0.000 1.326 416 S CA -0.293 57.915 58.200 0.014 0.000 1.024 416 S CB 0.621 63.829 63.200 0.012 0.000 0.921 416 S HN 0.594 nan 8.310 nan 0.000 0.527 417 R N 1.185 121.692 120.500 0.012 0.000 2.307 417 R HA 0.026 4.366 4.340 -0.000 0.000 0.199 417 R C 1.535 177.840 176.300 0.008 0.000 1.000 417 R CA 1.207 57.313 56.100 0.010 0.000 1.023 417 R CB -1.020 29.286 30.300 0.009 0.000 0.908 417 R HN 0.668 nan 8.270 nan 0.000 0.473 418 T N -2.643 111.916 114.554 0.009 0.000 3.148 418 T HA -0.022 4.328 4.350 -0.000 0.000 0.253 418 T C 0.324 175.029 174.700 0.008 0.000 1.134 418 T CA 0.185 62.289 62.100 0.008 0.000 1.051 418 T CB 0.140 69.012 68.868 0.008 0.000 0.959 418 T HN 0.047 nan 8.240 nan 0.000 0.525 419 D N 2.062 122.467 120.400 0.008 0.000 2.795 419 D HA 0.290 4.930 4.640 -0.000 0.000 0.335 419 D C -1.543 174.761 176.300 0.006 0.000 1.262 419 D CA -2.433 51.571 54.000 0.008 0.000 0.885 419 D CB 1.294 42.100 40.800 0.009 0.000 1.047 419 D HN 0.098 nan 8.370 nan 0.000 0.500 420 P HA -0.145 nan 4.420 nan 0.000 0.222 420 P C 1.131 178.432 177.300 0.001 0.000 1.147 420 P CA 0.697 63.799 63.100 0.003 0.000 0.790 420 P CB 0.637 32.339 31.700 0.003 0.000 0.780 421 K N -0.529 119.873 120.400 0.002 0.000 2.062 421 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 421 K C 2.142 178.741 176.600 -0.001 0.000 1.051 421 K CA 1.575 57.863 56.287 0.001 0.000 0.941 421 K CB -0.544 31.958 32.500 0.003 0.000 0.719 421 K HN 0.126 nan 8.250 nan 0.000 0.440 422 T N 1.461 116.016 114.554 0.001 0.000 2.857 422 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 422 T C 1.499 176.197 174.700 -0.003 0.000 1.048 422 T CA 0.880 62.980 62.100 -0.000 0.000 1.139 422 T CB -0.142 68.728 68.868 0.003 0.000 0.874 422 T HN 0.174 nan 8.240 nan 0.000 0.455 423 N N 1.292 119.991 118.700 -0.001 0.000 2.223 423 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 423 N C 1.936 177.438 175.510 -0.013 0.000 1.016 423 N CA 1.047 54.095 53.050 -0.003 0.000 0.863 423 N CB -0.260 38.228 38.487 0.002 0.000 0.983 423 N HN 0.471 nan 8.380 nan 0.000 0.429 424 E N 1.437 121.630 120.200 -0.011 0.000 2.072 424 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 424 E C 1.045 177.634 176.600 -0.019 0.000 0.982 424 E CA 1.268 57.658 56.400 -0.016 0.000 0.803 424 E CB -0.143 29.550 29.700 -0.010 0.000 0.755 424 E HN 0.134 nan 8.360 nan 0.000 0.453 425 D N -0.247 120.144 120.400 -0.014 0.000 2.117 425 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 425 D C 1.802 178.089 176.300 -0.022 0.000 0.987 425 D CA 1.165 55.157 54.000 -0.015 0.000 0.829 425 D CB -0.158 40.636 40.800 -0.009 0.000 0.961 425 D HN 0.263 nan 8.370 nan 0.000 0.460 426 M N 0.344 119.930 119.600 -0.024 0.000 2.132 426 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 426 M C 2.359 178.624 176.300 -0.058 0.000 1.065 426 M CA 0.814 56.094 55.300 -0.033 0.000 1.122 426 M CB -1.184 31.402 32.600 -0.023 0.000 1.365 426 M HN -0.044 nan 8.290 nan 0.000 0.411 427 S N 0.677 116.341 115.700 -0.061 0.000 2.356 427 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 427 S C 2.000 176.555 174.600 -0.075 0.000 1.032 427 S CA 1.004 59.154 58.200 -0.084 0.000 1.005 427 S CB -0.280 62.881 63.200 -0.064 0.000 0.867 427 S HN 0.490 nan 8.310 nan 0.000 0.449 428 L N 0.926 122.119 121.223 -0.050 0.000 2.083 428 L HA -0.071 4.268 4.340 -0.000 0.000 0.209 428 L C 2.433 179.280 176.870 -0.038 0.000 1.083 428 L CA 1.712 56.528 54.840 -0.040 0.000 0.752 428 L CB -0.702 41.341 42.059 -0.027 0.000 0.899 428 L HN 0.381 nan 8.230 nan 0.000 0.433 429 S N -0.006 115.673 115.700 -0.035 0.000 2.382 429 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 429 S C 1.739 176.318 174.600 -0.035 0.000 1.027 429 S CA 0.831 59.016 58.200 -0.025 0.000 0.991 429 S CB -0.201 62.988 63.200 -0.019 0.000 0.823 429 S HN 0.234 nan 8.310 nan 0.000 0.469 430 L N 1.071 122.257 121.223 -0.063 0.000 2.191 430 L HA 0.148 4.488 4.340 -0.000 0.000 0.212 430 L C 1.413 178.240 176.870 -0.071 0.000 1.103 430 L CA 1.405 56.194 54.840 -0.085 0.000 0.769 430 L CB -1.743 40.217 42.059 -0.165 0.000 0.908 430 L HN 0.479 nan 8.230 nan 0.000 0.438 431 G N -0.631 108.129 108.800 -0.067 0.000 2.756 431 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.678 431 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.678 431 G C -0.317 174.530 174.900 -0.088 0.000 1.349 431 G CA -0.439 44.628 45.100 -0.056 0.000 0.847 431 G HN 0.233 nan 8.290 nan 0.000 0.548 432 E N -0.309 119.849 120.200 -0.070 0.000 2.259 432 E HA 0.672 5.022 4.350 -0.000 0.000 0.257 432 E C 0.167 176.742 176.600 -0.041 0.000 0.998 432 E CA -0.584 55.757 56.400 -0.098 0.000 0.866 432 E CB 1.539 31.205 29.700 -0.056 0.000 1.220 432 E HN 0.831 nan 8.360 nan 0.000 0.415 433 H N -1.536 117.443 119.070 -0.153 0.000 2.961 433 H HA 0.506 5.062 4.556 -0.000 0.000 0.371 433 H C -1.207 173.917 175.328 -0.340 0.000 1.190 433 H CA -1.015 54.881 56.048 -0.254 0.000 1.138 433 H CB 1.995 31.610 29.762 -0.245 0.000 1.816 433 H HN 0.380 nan 8.280 nan 0.000 0.551 434 E N 2.541 122.512 120.200 -0.381 0.000 2.129 434 E HA 0.416 4.766 4.350 -0.000 0.000 0.268 434 E C -1.474 174.731 176.600 -0.658 0.000 0.900 434 E CA -0.776 55.392 56.400 -0.387 0.000 0.755 434 E CB 1.971 31.498 29.700 -0.288 0.000 1.117 434 E HN 0.391 nan 8.360 nan 0.000 0.410 435 V N 3.632 123.181 119.914 -0.609 0.000 3.046 435 V HA 0.358 4.478 4.120 -0.000 0.000 0.316 435 V C -0.732 175.176 176.094 -0.309 0.000 1.104 435 V CA -0.678 61.213 62.300 -0.681 0.000 1.006 435 V CB 2.242 33.367 31.823 -1.163 0.000 1.058 435 V HN 0.706 nan 8.190 nan 0.000 0.440 436 E N 2.424 122.525 120.200 -0.165 0.000 2.145 436 E HA 0.522 4.872 4.350 -0.000 0.000 0.262 436 E C -0.778 175.862 176.600 0.067 0.000 0.883 436 E CA -0.432 55.947 56.400 -0.035 0.000 0.748 436 E CB 1.453 31.146 29.700 -0.012 0.000 1.140 436 E HN 0.448 nan 8.360 nan 0.000 0.417 437 R N 1.932 122.470 120.500 0.063 0.000 2.912 437 R HA 0.331 4.671 4.340 -0.000 0.000 0.262 437 R C -1.088 175.253 176.300 0.069 0.000 1.057 437 R CA -0.869 55.296 56.100 0.109 0.000 0.981 437 R CB 1.382 31.763 30.300 0.135 0.000 1.201 437 R HN 0.415 nan 8.270 nan 0.000 0.484 438 D N 0.769 121.210 120.400 0.069 0.000 2.210 438 D HA 0.205 4.845 4.640 -0.000 0.000 0.249 438 D C -0.010 176.316 176.300 0.043 0.000 1.062 438 D CA -0.339 53.690 54.000 0.047 0.000 0.891 438 D CB 1.271 42.096 40.800 0.042 0.000 1.186 438 D HN 0.169 nan 8.370 nan 0.000 0.432 455 E N 0.932 121.138 120.200 0.010 0.000 2.274 455 E HA 0.499 4.849 4.350 -0.000 0.000 0.269 455 E C -1.526 175.066 176.600 -0.014 0.000 0.891 455 E CA -1.133 55.268 56.400 0.001 0.000 0.784 455 E CB 1.858 31.565 29.700 0.011 0.000 1.225 455 E HN 0.355 nan 8.360 nan 0.000 0.412 456 R N 2.234 122.716 120.500 -0.030 0.000 2.340 456 R HA 0.477 4.817 4.340 -0.000 0.000 0.300 456 R C -0.528 175.739 176.300 -0.055 0.000 1.069 456 R CA -0.835 55.230 56.100 -0.060 0.000 0.984 456 R CB 0.924 31.183 30.300 -0.068 0.000 1.003 456 R HN 0.377 nan 8.270 nan 0.000 0.459 457 V N 3.736 123.603 119.914 -0.079 0.000 2.638 457 V HA 0.427 4.546 4.120 -0.000 0.000 0.306 457 V C 0.117 176.169 176.094 -0.069 0.000 1.052 457 V CA -0.895 61.375 62.300 -0.050 0.000 0.885 457 V CB 2.415 34.232 31.823 -0.011 0.000 0.999 457 V HN 0.641 nan 8.190 nan 0.000 0.424 458 R N 3.633 124.114 120.500 -0.032 0.000 2.295 458 R HA 0.648 4.988 4.340 -0.000 0.000 0.324 458 R C -0.655 175.661 176.300 0.027 0.000 0.968 458 R CA -0.326 55.762 56.100 -0.019 0.000 0.837 458 R CB 1.226 31.505 30.300 -0.035 0.000 1.133 458 R HN 0.969 nan 8.270 nan 0.000 0.450 459 E N 3.092 123.335 120.200 0.072 0.000 2.412 459 E HA 0.395 4.745 4.350 -0.000 0.000 0.279 459 E C -1.036 175.514 176.600 -0.085 0.000 0.984 459 E CA -1.269 55.154 56.400 0.038 0.000 0.788 459 E CB 1.161 30.939 29.700 0.129 0.000 1.277 459 E HN 0.144 nan 8.360 nan 0.000 0.455 460 R N 1.024 121.484 120.500 -0.066 0.000 2.489 460 R HA 0.087 4.427 4.340 -0.000 0.000 0.287 460 R C 0.909 177.109 176.300 -0.166 0.000 1.053 460 R CA -0.087 55.946 56.100 -0.112 0.000 1.036 460 R CB 0.726 30.990 30.300 -0.060 0.000 0.966 460 R HN 0.532 nan 8.270 nan 0.000 0.432 461 V N 2.654 122.407 119.914 -0.268 0.000 2.427 461 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 461 V C 0.940 177.052 176.094 0.030 0.000 1.051 461 V CA 1.366 63.524 62.300 -0.237 0.000 1.048 461 V CB 0.055 31.741 31.823 -0.230 0.000 0.666 461 V HN 0.391 nan 8.190 nan 0.000 0.456 462 V N 0.885 120.731 119.914 -0.114 0.000 2.443 462 V HA 0.374 4.494 4.120 -0.000 0.000 0.293 462 V C -0.187 175.836 176.094 -0.119 0.000 1.021 462 V CA -0.452 61.740 62.300 -0.180 0.000 0.848 462 V CB 1.619 33.122 31.823 -0.533 0.000 0.998 462 V HN 0.245 nan 8.190 nan 0.000 0.424 463 M N 5.516 125.083 119.600 -0.055 0.000 2.240 463 M HA 0.225 4.705 4.480 -0.000 0.000 0.333 463 M C -1.374 174.905 176.300 -0.035 0.000 1.110 463 M CA -1.228 54.051 55.300 -0.034 0.000 1.173 463 M CB 1.214 33.806 32.600 -0.013 0.000 1.458 463 M HN 0.324 nan 8.290 nan 0.000 0.458 464 P HA -0.175 nan 4.420 nan 0.000 0.216 464 P C 0.827 178.126 177.300 -0.001 0.000 1.153 464 P CA 1.747 64.837 63.100 -0.017 0.000 0.858 464 P CB 0.006 31.698 31.700 -0.012 0.000 0.789 465 A N -0.068 122.753 122.820 0.002 0.000 1.940 465 A HA -0.252 4.067 4.320 -0.000 0.000 0.219 465 A C 2.112 179.710 177.584 0.024 0.000 1.176 465 A CA 1.672 53.715 52.037 0.010 0.000 0.631 465 A CB -1.153 17.851 19.000 0.006 0.000 0.814 465 A HN 0.211 nan 8.150 nan 0.000 0.446 466 E N -0.342 119.874 120.200 0.028 0.000 2.110 466 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 466 E C 1.875 178.540 176.600 0.109 0.000 0.988 466 E CA 1.199 57.640 56.400 0.068 0.000 0.804 466 E CB -0.283 29.465 29.700 0.081 0.000 0.745 466 E HN 0.729 nan 8.360 nan 0.000 0.458 467 I N 1.040 121.659 120.570 0.081 0.000 2.353 467 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 467 I C 2.542 178.701 176.117 0.070 0.000 1.119 467 I CA 0.749 62.110 61.300 0.103 0.000 1.417 467 I CB -0.304 37.726 38.000 0.050 0.000 1.078 467 I HN 0.037 nan 8.210 nan 0.000 0.421 468 A N 0.577 123.423 122.820 0.043 0.000 2.015 468 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 468 A C 1.803 179.405 177.584 0.031 0.000 1.163 468 A CA 1.382 53.438 52.037 0.031 0.000 0.646 468 A CB -0.425 18.587 19.000 0.020 0.000 0.806 468 A HN 0.423 nan 8.150 nan 0.000 0.448 469 N N -0.273 118.450 118.700 0.037 0.000 2.235 469 N HA 0.197 4.937 4.740 -0.000 0.000 0.209 469 N C -0.288 175.241 175.510 0.032 0.000 1.122 469 N CA -0.037 53.030 53.050 0.029 0.000 0.845 469 N CB 0.235 38.737 38.487 0.025 0.000 1.004 469 N HN 0.400 nan 8.380 nan 0.000 0.499 470 L N 2.923 124.173 121.223 0.044 0.000 2.453 470 L HA 0.141 4.480 4.340 -0.000 0.000 0.272 470 L C -1.582 175.295 176.870 0.011 0.000 1.182 470 L CA -0.972 53.887 54.840 0.032 0.000 0.858 470 L CB 0.439 42.527 42.059 0.049 0.000 1.120 470 L HN -0.057 nan 8.230 nan 0.000 0.474 471 P HA 0.179 nan 4.420 nan 0.000 0.278 471 P C -1.082 176.213 177.300 -0.008 0.000 1.266 471 P CA -0.728 62.368 63.100 -0.006 0.000 0.807 471 P CB 0.790 32.483 31.700 -0.012 0.000 1.094 472 D N 0.052 120.449 120.400 -0.004 0.000 2.362 472 D HA 0.084 4.724 4.640 -0.000 0.000 0.238 472 D C 1.000 177.295 176.300 -0.008 0.000 1.212 472 D CA 0.096 54.094 54.000 -0.002 0.000 0.902 472 D CB -0.015 40.786 40.800 0.001 0.000 1.180 472 D HN 0.392 nan 8.370 nan 0.000 0.445 473 L N -0.518 120.703 121.223 -0.003 0.000 3.737 473 L HA -0.250 4.090 4.340 -0.000 0.000 0.418 473 L C -0.285 176.572 176.870 -0.022 0.000 1.216 473 L CA 0.573 55.410 54.840 -0.005 0.000 0.915 473 L CB -2.162 39.897 42.059 -0.001 0.000 1.834 473 L HN 0.293 nan 8.230 nan 0.000 0.943 474 T N -0.439 114.093 114.554 -0.037 0.000 2.928 474 T HA 0.799 5.149 4.350 -0.000 0.000 0.296 474 T C -0.104 174.537 174.700 -0.099 0.000 1.000 474 T CA 0.084 62.136 62.100 -0.080 0.000 0.989 474 T CB 2.160 70.970 68.868 -0.096 0.000 1.005 474 T HN 0.402 nan 8.240 nan 0.000 0.442 475 A N 2.502 125.240 122.820 -0.138 0.000 2.556 475 A HA 0.818 5.138 4.320 -0.000 0.000 0.294 475 A C -2.004 175.463 177.584 -0.196 0.000 1.091 475 A CA -0.795 51.174 52.037 -0.113 0.000 0.704 475 A CB 1.224 20.202 19.000 -0.036 0.000 1.300 475 A HN 0.800 nan 8.150 nan 0.000 0.406 476 Y N 0.579 120.862 120.300 -0.028 0.000 2.353 476 Y HA 0.462 5.012 4.550 -0.000 0.000 0.340 476 Y C 0.020 175.869 175.900 -0.086 0.000 0.972 476 Y CA -0.272 57.806 58.100 -0.037 0.000 1.157 476 Y CB 1.875 40.323 38.460 -0.021 0.000 1.157 476 Y HN 0.351 nan 8.280 nan 0.000 0.495 477 V N 3.615 123.529 119.914 0.000 0.000 2.333 477 V HA 0.517 4.637 4.120 -0.000 0.000 0.274 477 V C 0.332 176.278 176.094 -0.247 0.000 1.028 477 V CA -0.619 61.558 62.300 -0.205 0.000 0.851 477 V CB 1.141 32.761 31.823 -0.337 0.000 1.000 477 V HN 0.940 nan 8.190 nan 0.000 0.456 478 G N 4.585 113.244 108.800 -0.234 0.000 2.955 478 G HA2 0.556 4.516 3.960 -0.000 0.000 0.336 478 G HA3 0.556 4.516 3.960 -0.000 0.000 0.336 478 G C -0.615 174.217 174.900 -0.114 0.000 1.264 478 G CA -0.307 44.718 45.100 -0.126 0.000 1.096 478 G HN 0.356 nan 8.290 nan 0.000 0.486 479 F N 1.721 121.707 119.950 0.061 0.000 2.490 479 F HA 0.449 4.976 4.527 -0.000 0.000 0.336 479 F C 1.335 177.162 175.800 0.044 0.000 1.178 479 F CA -0.014 58.019 58.000 0.055 0.000 1.301 479 F CB 0.854 39.884 39.000 0.049 0.000 1.175 479 F HN 0.556 nan 8.300 nan 0.000 0.593 480 A N 1.559 124.545 122.820 0.276 0.000 2.475 480 A HA 0.476 4.795 4.320 -0.000 0.000 0.239 480 A C 0.904 178.557 177.584 0.114 0.000 1.087 480 A CA 0.322 52.447 52.037 0.146 0.000 0.779 480 A CB -0.862 18.198 19.000 0.101 0.000 1.036 480 A HN 1.664 nan 8.150 nan 0.000 0.506 481 G N 0.399 109.242 108.800 0.071 0.000 2.593 481 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.237 481 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.237 481 G C 0.088 175.023 174.900 0.059 0.000 1.312 481 G CA 0.354 45.485 45.100 0.052 0.000 0.896 481 G HN 1.704 nan 8.290 nan 0.000 0.574 482 N N 1.675 120.402 118.700 0.047 0.000 3.124 482 N HA 0.328 5.068 4.740 -0.000 0.000 0.284 482 N C 0.226 175.766 175.510 0.051 0.000 1.209 482 N CA 0.056 53.133 53.050 0.046 0.000 1.149 482 N CB -0.197 38.310 38.487 0.033 0.000 1.434 482 N HN 0.573 nan 8.380 nan 0.000 0.529 483 R N 1.611 122.155 120.500 0.073 0.000 2.750 483 R HA 0.550 4.889 4.340 -0.000 0.000 0.281 483 R C -2.541 173.804 176.300 0.075 0.000 0.972 483 R CA -1.644 54.509 56.100 0.088 0.000 0.912 483 R CB 1.135 31.532 30.300 0.163 0.000 1.187 483 R HN 0.333 nan 8.270 nan 0.000 0.464 484 P HA 0.309 nan 4.420 nan 0.000 0.276 484 P C -0.015 177.326 177.300 0.067 0.000 1.252 484 P CA -0.503 62.619 63.100 0.035 0.000 0.802 484 P CB 0.768 32.468 31.700 -0.001 0.000 1.035 485 I N -2.196 118.413 120.570 0.065 0.000 2.783 485 I HA 0.818 4.988 4.170 -0.000 0.000 0.312 485 I C -0.644 175.540 176.117 0.112 0.000 0.988 485 I CA -1.196 60.149 61.300 0.076 0.000 1.182 485 I CB 1.674 39.719 38.000 0.076 0.000 1.368 485 I HN 0.362 nan 8.210 nan 0.000 0.511 486 A N 3.429 126.319 122.820 0.118 0.000 2.520 486 A HA 0.500 4.820 4.320 -0.000 0.000 0.298 486 A C -1.028 176.599 177.584 0.072 0.000 1.051 486 A CA -0.845 51.258 52.037 0.110 0.000 0.690 486 A CB 1.533 20.576 19.000 0.071 0.000 1.281 486 A HN 0.800 nan 8.150 nan 0.000 0.402 487 K N 2.139 122.543 120.400 0.007 0.000 2.262 487 K HA 0.583 4.903 4.320 -0.000 0.000 0.282 487 K C -1.169 175.341 176.600 -0.150 0.000 1.066 487 K CA -0.135 55.994 56.287 -0.263 0.000 0.901 487 K CB 0.628 32.899 32.500 -0.382 0.000 1.089 487 K HN 0.473 nan 8.250 nan 0.000 0.476 488 V N 5.968 125.792 119.914 -0.150 0.000 3.001 488 V HA 0.536 4.656 4.120 -0.000 0.000 0.314 488 V C -2.325 173.723 176.094 -0.077 0.000 1.099 488 V CA -1.853 60.402 62.300 -0.076 0.000 0.989 488 V CB 1.909 33.715 31.823 -0.029 0.000 1.040 488 V HN 0.852 nan 8.190 nan 0.000 0.434 489 P HA 0.467 nan 4.420 nan 0.000 0.290 489 P C -1.342 175.952 177.300 -0.010 0.000 1.275 489 P CA -0.510 62.570 63.100 -0.034 0.000 0.841 489 P CB 1.850 33.535 31.700 -0.025 0.000 1.042 490 L N 2.749 123.969 121.223 -0.005 0.000 2.275 490 L HA 0.314 4.654 4.340 -0.000 0.000 0.288 490 L C 1.084 177.965 176.870 0.019 0.000 1.046 490 L CA -0.519 54.331 54.840 0.017 0.000 0.805 490 L CB 0.894 42.966 42.059 0.021 0.000 1.193 490 L HN 0.485 nan 8.230 nan 0.000 0.426 491 E N 4.949 125.167 120.200 0.029 0.000 2.216 491 E HA 0.339 4.689 4.350 -0.000 0.000 0.279 491 E C -0.716 175.899 176.600 0.025 0.000 0.997 491 E CA -0.717 55.694 56.400 0.018 0.000 0.817 491 E CB 1.560 31.266 29.700 0.011 0.000 1.096 491 E HN 0.511 nan 8.360 nan 0.000 0.393 492 I N 3.984 124.559 120.570 0.008 0.000 2.278 492 I HA 0.070 4.239 4.170 -0.000 0.000 0.300 492 I C 0.577 176.669 176.117 -0.043 0.000 1.174 492 I CA -0.175 61.132 61.300 0.011 0.000 1.347 492 I CB -0.157 37.844 38.000 0.002 0.000 1.473 492 I HN 0.487 nan 8.210 nan 0.000 0.595 493 K N 5.183 125.543 120.400 -0.066 0.000 2.270 493 K HA 0.192 4.512 4.320 -0.000 0.000 0.276 493 K C -0.232 176.077 176.600 -0.484 0.000 1.023 493 K CA -0.571 55.537 56.287 -0.300 0.000 0.955 493 K CB 0.821 33.076 32.500 -0.409 0.000 0.975 493 K HN 0.383 nan 8.250 nan 0.000 0.471 494 Q N 3.117 122.589 119.800 -0.546 0.000 2.257 494 Q HA 0.302 4.642 4.340 -0.000 0.000 0.255 494 Q C -1.094 174.494 176.000 -0.687 0.000 0.920 494 Q CA -0.184 55.359 55.803 -0.432 0.000 0.927 494 Q CB 1.051 29.654 28.738 -0.225 0.000 1.229 494 Q HN 0.412 nan 8.270 nan 0.000 0.433 495 F N 0.323 120.176 119.950 -0.161 0.000 2.507 495 F HA 0.574 5.100 4.527 -0.000 0.000 0.325 495 F C 0.394 176.081 175.800 -0.189 0.000 1.116 495 F CA -1.149 56.725 58.000 -0.210 0.000 0.930 495 F CB 1.462 40.270 39.000 -0.320 0.000 1.146 495 F HN 0.475 nan 8.300 nan 0.000 0.447 496 A N 2.335 125.153 122.820 -0.003 0.000 2.388 496 A HA 0.282 4.602 4.320 -0.000 0.000 0.257 496 A C -0.004 177.542 177.584 -0.064 0.000 1.095 496 A CA -0.658 51.357 52.037 -0.037 0.000 0.791 496 A CB -0.027 18.954 19.000 -0.032 0.000 1.029 496 A HN 0.899 nan 8.150 nan 0.000 0.489 497 N N 1.039 119.694 118.700 -0.074 0.000 2.434 497 N HA 0.134 4.874 4.740 -0.000 0.000 0.273 497 N C 0.515 175.975 175.510 -0.084 0.000 1.210 497 N CA -0.128 52.863 53.050 -0.098 0.000 0.992 497 N CB 0.357 38.793 38.487 -0.084 0.000 1.355 497 N HN 0.643 nan 8.380 nan 0.000 0.495 498 R N 1.463 121.907 120.500 -0.094 0.000 2.555 498 R HA 0.196 4.536 4.340 -0.000 0.000 0.272 498 R C -0.314 175.937 176.300 -0.082 0.000 1.089 498 R CA -0.095 55.966 56.100 -0.066 0.000 1.126 498 R CB 0.111 30.390 30.300 -0.035 0.000 1.250 498 R HN 0.465 nan 8.270 nan 0.000 0.551 499 Q N 0.169 119.908 119.800 -0.101 0.000 2.852 499 Q HA 0.153 4.493 4.340 -0.000 0.000 0.250 499 Q C -2.985 172.949 176.000 -0.110 0.000 0.988 499 Q CA -1.635 54.103 55.803 -0.109 0.000 0.905 499 Q CB 2.336 30.986 28.738 -0.145 0.000 1.896 499 Q HN 0.112 nan 8.270 nan 0.000 0.464 500 P HA 0.093 nan 4.420 nan 0.000 0.276 500 P C -0.226 177.034 177.300 -0.067 0.000 1.235 500 P CA 0.220 63.277 63.100 -0.071 0.000 0.772 500 P CB 1.291 32.953 31.700 -0.064 0.000 0.871 501 A N 4.048 126.841 122.820 -0.045 0.000 1.940 501 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 501 A C 0.693 178.332 177.584 0.093 0.000 1.176 501 A CA 1.375 53.394 52.037 -0.029 0.000 0.631 501 A CB -0.661 18.314 19.000 -0.042 0.000 0.814 501 A HN 0.580 nan 8.150 nan 0.000 0.446 502 F N -1.849 118.052 119.950 -0.081 0.000 2.588 502 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 502 F C -1.231 174.545 175.800 -0.040 0.000 1.082 502 F CA -1.823 56.146 58.000 -0.052 0.000 0.929 502 F CB 2.113 41.089 39.000 -0.040 0.000 1.254 502 F HN -0.169 nan 8.300 nan 0.000 0.455 503 V N 5.140 124.652 119.914 -0.671 0.000 2.612 503 V HA 0.432 4.552 4.120 -0.000 0.000 0.301 503 V C -0.280 175.384 176.094 -0.716 0.000 1.059 503 V CA -0.675 61.297 62.300 -0.547 0.000 0.886 503 V CB 1.356 33.022 31.823 -0.263 0.000 1.007 503 V HN 0.890 nan 8.190 nan 0.000 0.426 504 E N 0.000 119.881 120.200 -0.532 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.192 56.400 -0.346 0.000 0.976 504 E CB 0.000 29.575 29.700 -0.208 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440