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 3bug_1_A DATA FIRST_RESID -1 DATA SEQUENCE FVEMVDNLRG KSGQGYYVEM TVGSPPQTLN ILVDTGSSNF AVGAAPHPFL DATA SEQUENCE HRYYQRQLSS TYRDLRKGVY VPYTQGKWEG ELGTDLVSIP HGPNVTVRAN DATA SEQUENCE IAAITESDKF FINGSNWEGI LGLAYAEIAR PDDSLEPFFD SLVKQTHVPN DATA SEQUENCE LFSLQLcGXX XXXXXXXXXX SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVASI DATA SEQUENCE KAASSTEXFP DGFWLGEQLV cWXXXXXPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VXXXXXXXXD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHXXXXXRTA AVEGPFVTLD MEDcGYNI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.815 175.800 0.024 0.000 0.967 -1 F CA 0.000 58.015 58.000 0.026 0.000 1.383 -1 F CB 0.000 39.018 39.000 0.030 0.000 1.145 0 V N -2.032 117.953 119.914 0.117 0.000 2.469 0 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 0 V C 1.805 177.956 176.094 0.094 0.000 1.064 0 V CA 2.333 64.682 62.300 0.082 0.000 1.066 0 V CB -0.595 31.250 31.823 0.037 0.000 0.667 0 V HN 0.308 nan 8.190 nan 0.000 0.461 1 E N 0.708 120.978 120.200 0.118 0.000 2.209 1 E HA -0.113 4.236 4.350 -0.000 0.000 0.196 1 E C 1.965 178.669 176.600 0.173 0.000 0.993 1 E CA 1.731 58.220 56.400 0.148 0.000 0.819 1 E CB -0.512 29.274 29.700 0.144 0.000 0.745 1 E HN 0.624 nan 8.360 nan 0.000 0.477 2 M N 0.035 119.734 119.600 0.166 0.000 2.382 2 M HA 0.109 4.589 4.480 -0.000 0.000 0.247 2 M C -0.224 176.128 176.300 0.086 0.000 1.104 2 M CA -0.093 55.293 55.300 0.144 0.000 1.030 2 M CB 1.028 33.722 32.600 0.158 0.000 1.424 2 M HN -0.152 nan 8.290 nan 0.000 0.486 3 V N 1.856 121.812 119.914 0.070 0.000 2.614 3 V HA 0.011 4.131 4.120 -0.000 0.000 0.291 3 V C 0.549 176.636 176.094 -0.011 0.000 1.049 3 V CA 0.362 62.682 62.300 0.033 0.000 1.038 3 V CB 1.007 32.848 31.823 0.029 0.000 0.980 3 V HN 0.503 nan 8.190 nan 0.000 0.481 4 D N 3.108 123.498 120.400 -0.017 0.000 2.981 4 D HA -0.179 4.461 4.640 -0.000 0.000 0.223 4 D C 1.046 177.296 176.300 -0.083 0.000 1.151 4 D CA 1.127 55.100 54.000 -0.044 0.000 0.827 4 D CB -0.876 39.892 40.800 -0.053 0.000 1.101 4 D HN 0.864 nan 8.370 nan 0.000 0.426 5 N N 0.206 118.869 118.700 -0.061 0.000 2.398 5 N HA -0.004 4.736 4.740 -0.000 0.000 0.188 5 N C 0.388 175.866 175.510 -0.053 0.000 1.122 5 N CA 0.215 53.223 53.050 -0.069 0.000 0.866 5 N CB -0.057 38.443 38.487 0.022 0.000 0.970 5 N HN 0.404 nan 8.380 nan 0.000 0.462 6 L N 0.525 121.713 121.223 -0.060 0.000 2.329 6 L HA 0.535 4.875 4.340 -0.000 0.000 0.279 6 L C 0.297 177.076 176.870 -0.152 0.000 1.014 6 L CA -0.828 53.964 54.840 -0.079 0.000 0.814 6 L CB 1.643 43.712 42.059 0.017 0.000 1.257 6 L HN -0.075 nan 8.230 nan 0.000 0.424 7 R N 1.181 121.416 120.500 -0.441 0.000 2.930 7 R HA 0.912 5.252 4.340 -0.000 0.000 0.257 7 R C -0.315 175.533 176.300 -0.752 0.000 1.107 7 R CA -0.817 54.942 56.100 -0.568 0.000 0.999 7 R CB 2.080 31.995 30.300 -0.642 0.000 1.209 7 R HN 0.825 nan 8.270 nan 0.000 0.486 8 G N 0.251 108.785 108.800 -0.443 0.000 2.315 8 G HA2 0.295 4.255 3.960 -0.000 0.000 0.294 8 G HA3 0.295 4.255 3.960 -0.000 0.000 0.294 8 G C -1.728 173.123 174.900 -0.082 0.000 1.300 8 G CA -0.740 44.240 45.100 -0.199 0.000 0.843 8 G HN 0.241 nan 8.290 nan 0.000 0.527 9 K N -0.066 120.315 120.400 -0.030 0.000 2.375 9 K HA 0.663 4.982 4.320 -0.000 0.000 0.249 9 K C 0.034 176.588 176.600 -0.076 0.000 0.942 9 K CA -0.608 55.657 56.287 -0.037 0.000 0.806 9 K CB 2.149 34.661 32.500 0.021 0.000 1.227 9 K HN 0.532 nan 8.250 nan 0.000 0.430 10 S N 0.878 116.538 115.700 -0.067 0.000 2.626 10 S HA 0.144 4.614 4.470 -0.000 0.000 0.303 10 S C 1.212 175.794 174.600 -0.030 0.000 1.256 10 S CA 1.742 59.909 58.200 -0.054 0.000 1.069 10 S CB -0.469 62.715 63.200 -0.026 0.000 0.807 10 S HN 0.860 nan 8.310 nan 0.000 0.500 11 G N 4.126 112.911 108.800 -0.025 0.000 2.205 11 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 11 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 11 G C 0.439 175.348 174.900 0.015 0.000 0.980 11 G CA 0.650 45.750 45.100 -0.000 0.000 0.632 11 G HN 0.717 nan 8.290 nan 0.000 0.533 12 Q N 0.175 119.989 119.800 0.024 0.000 2.188 12 Q HA 0.467 4.806 4.340 -0.000 0.000 0.212 12 Q C 1.190 177.273 176.000 0.138 0.000 0.846 12 Q CA 0.264 56.143 55.803 0.127 0.000 0.989 12 Q CB 0.992 29.834 28.738 0.174 0.000 1.114 12 Q HN 1.628 nan 8.270 nan 0.000 0.488 13 G N 0.740 109.529 108.800 -0.017 0.000 2.795 13 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.664 13 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.664 13 G C -1.202 173.604 174.900 -0.157 0.000 1.381 13 G CA -0.864 44.197 45.100 -0.064 0.000 0.853 13 G HN 0.206 nan 8.290 nan 0.000 0.545 14 Y N -0.056 120.196 120.300 -0.080 0.000 2.409 14 Y HA 0.671 5.221 4.550 -0.000 0.000 0.339 14 Y C 0.598 176.449 175.900 -0.082 0.000 1.033 14 Y CA -0.231 57.812 58.100 -0.096 0.000 1.094 14 Y CB 1.919 40.317 38.460 -0.103 0.000 1.210 14 Y HN 0.809 nan 8.280 nan 0.000 0.456 15 Y N 0.133 120.456 120.300 0.038 0.000 2.499 15 Y HA 0.813 5.363 4.550 -0.000 0.000 0.347 15 Y C -1.612 174.305 175.900 0.028 0.000 0.987 15 Y CA -1.663 56.432 58.100 -0.009 0.000 1.044 15 Y CB 0.924 39.401 38.460 0.027 0.000 1.245 15 Y HN 0.439 nan 8.280 nan 0.000 0.461 16 V N 2.381 122.398 119.914 0.171 0.000 2.815 16 V HA 0.394 4.514 4.120 -0.000 0.000 0.314 16 V C -0.648 175.550 176.094 0.173 0.000 1.064 16 V CA -0.857 61.508 62.300 0.109 0.000 0.952 16 V CB 1.766 33.599 31.823 0.016 0.000 1.020 16 V HN 0.983 nan 8.190 nan 0.000 0.439 17 E N 5.317 125.615 120.200 0.163 0.000 2.259 17 E HA 0.467 4.817 4.350 -0.000 0.000 0.281 17 E C -0.825 175.818 176.600 0.071 0.000 1.037 17 E CA -0.243 56.245 56.400 0.146 0.000 0.854 17 E CB 0.840 30.645 29.700 0.175 0.000 1.051 17 E HN 0.672 nan 8.360 nan 0.000 0.409 18 M N 2.410 122.037 119.600 0.045 0.000 2.619 18 M HA 0.325 4.805 4.480 -0.000 0.000 0.297 18 M C -0.670 175.640 176.300 0.017 0.000 1.229 18 M CA -0.985 54.316 55.300 0.002 0.000 0.860 18 M CB 2.493 35.068 32.600 -0.042 0.000 1.741 18 M HN 0.538 nan 8.290 nan 0.000 0.462 19 T N -0.130 114.429 114.554 0.009 0.000 2.824 19 T HA 0.771 5.120 4.350 -0.000 0.000 0.282 19 T C -0.613 174.103 174.700 0.027 0.000 0.993 19 T CA -0.785 61.325 62.100 0.018 0.000 0.967 19 T CB 1.202 70.080 68.868 0.015 0.000 0.960 19 T HN 0.634 nan 8.240 nan 0.000 0.441 20 V N -0.178 119.745 119.914 0.015 0.000 2.680 20 V HA 1.001 5.120 4.120 -0.000 0.000 0.309 20 V C 0.562 176.708 176.094 0.086 0.000 1.052 20 V CA 0.092 62.393 62.300 0.001 0.000 0.908 20 V CB 0.554 32.234 31.823 -0.239 0.000 1.001 20 V HN 1.913 nan 8.190 nan 0.000 0.431 21 G N 3.242 112.123 108.800 0.135 0.000 2.795 21 G HA2 0.075 4.034 3.960 -0.000 0.000 0.664 21 G HA3 0.075 4.034 3.960 -0.000 0.000 0.664 21 G C -0.400 174.572 174.900 0.120 0.000 1.381 21 G CA -0.317 44.895 45.100 0.187 0.000 0.853 21 G HN 1.897 nan 8.290 nan 0.000 0.545 22 S N 2.312 118.079 115.700 0.111 0.000 2.605 22 S HA 0.734 5.204 4.470 -0.000 0.000 0.308 22 S C -2.162 172.475 174.600 0.062 0.000 1.113 22 S CA -0.852 57.392 58.200 0.074 0.000 1.049 22 S CB 2.530 65.769 63.200 0.064 0.000 1.001 22 S HN 0.820 nan 8.310 nan 0.000 0.480 23 P HA 0.281 nan 4.420 nan 0.000 0.272 23 P C -2.893 174.435 177.300 0.046 0.000 1.240 23 P CA -1.636 61.486 63.100 0.038 0.000 0.791 23 P CB -0.919 30.795 31.700 0.024 0.000 0.978 24 P HA 0.113 nan 4.420 nan 0.000 0.266 24 P C -0.489 176.832 177.300 0.034 0.000 1.215 24 P CA 0.560 63.682 63.100 0.038 0.000 0.763 24 P CB 0.075 31.788 31.700 0.023 0.000 0.806 25 Q N 1.711 121.541 119.800 0.049 0.000 2.303 25 Q HA 0.276 4.615 4.340 -0.000 0.000 0.257 25 Q C -0.174 175.841 176.000 0.024 0.000 0.941 25 Q CA -0.297 55.529 55.803 0.039 0.000 0.931 25 Q CB 0.784 29.570 28.738 0.080 0.000 1.215 25 Q HN 0.344 nan 8.270 nan 0.000 0.437 26 T N 4.341 118.902 114.554 0.012 0.000 2.729 26 T HA 0.429 4.779 4.350 -0.000 0.000 0.296 26 T C -0.288 174.419 174.700 0.013 0.000 0.928 26 T CA -0.167 61.941 62.100 0.014 0.000 1.045 26 T CB 0.078 68.954 68.868 0.014 0.000 0.902 26 T HN 0.317 nan 8.240 nan 0.000 0.500 27 L N 3.658 124.896 121.223 0.025 0.000 2.401 27 L HA 0.519 4.859 4.340 -0.000 0.000 0.266 27 L C -0.175 176.728 176.870 0.056 0.000 0.991 27 L CA -1.267 53.590 54.840 0.029 0.000 0.818 27 L CB 1.864 43.940 42.059 0.029 0.000 1.321 27 L HN 0.392 nan 8.230 nan 0.000 0.413 28 N N 3.087 121.810 118.700 0.038 0.000 2.444 28 N HA 0.503 5.243 4.740 -0.000 0.000 0.271 28 N C -0.972 174.616 175.510 0.129 0.000 1.069 28 N CA -0.226 52.863 53.050 0.065 0.000 0.965 28 N CB 1.602 39.975 38.487 -0.191 0.000 1.092 28 N HN 0.325 nan 8.380 nan 0.000 0.476 29 I N 2.678 123.356 120.570 0.180 0.000 2.447 29 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 29 I C -0.049 176.100 176.117 0.053 0.000 1.023 29 I CA -0.879 60.505 61.300 0.140 0.000 1.083 29 I CB 1.546 39.621 38.000 0.124 0.000 1.245 29 I HN 0.276 nan 8.210 nan 0.000 0.434 30 L N 7.616 128.750 121.223 -0.148 0.000 2.499 30 L HA 0.136 4.476 4.340 -0.000 0.000 0.273 30 L C -0.190 176.557 176.870 -0.205 0.000 1.195 30 L CA 0.437 55.045 54.840 -0.386 0.000 0.882 30 L CB 0.718 42.172 42.059 -1.008 0.000 1.133 30 L HN 0.339 nan 8.230 nan 0.000 0.483 31 V N 5.128 124.953 119.914 -0.149 0.000 2.389 31 V HA 0.256 4.376 4.120 -0.000 0.000 0.264 31 V C -0.384 175.632 176.094 -0.130 0.000 1.049 31 V CA -0.297 61.919 62.300 -0.140 0.000 0.932 31 V CB 0.933 32.685 31.823 -0.118 0.000 1.011 31 V HN 0.776 nan 8.190 nan 0.000 0.475 32 D N 3.132 123.460 120.400 -0.120 0.000 2.469 32 D HA 0.258 4.897 4.640 -0.000 0.000 0.251 32 D C 0.997 177.278 176.300 -0.033 0.000 1.173 32 D CA -0.212 53.753 54.000 -0.059 0.000 0.882 32 D CB 1.928 42.719 40.800 -0.015 0.000 1.129 32 D HN 0.572 nan 8.370 nan 0.000 0.549 33 T N -0.110 114.430 114.554 -0.024 0.000 3.148 33 T HA 0.169 4.519 4.350 -0.000 0.000 0.253 33 T C 1.476 176.315 174.700 0.233 0.000 1.134 33 T CA 0.339 62.470 62.100 0.051 0.000 1.051 33 T CB 0.224 68.996 68.868 -0.159 0.000 0.959 33 T HN 0.293 nan 8.240 nan 0.000 0.525 34 G N 0.849 109.758 108.800 0.181 0.000 3.088 34 G HA2 0.428 4.388 3.960 -0.000 0.000 0.217 34 G HA3 0.428 4.388 3.960 -0.000 0.000 0.217 34 G C 0.356 175.398 174.900 0.236 0.000 1.159 34 G CA 0.166 45.424 45.100 0.263 0.000 0.760 34 G HN 0.775 nan 8.290 nan 0.000 0.550 35 S N -1.937 113.846 115.700 0.138 0.000 2.705 35 S HA 0.643 5.113 4.470 -0.000 0.000 0.280 35 S C 0.026 174.666 174.600 0.066 0.000 1.174 35 S CA -0.148 58.111 58.200 0.098 0.000 0.823 35 S CB 1.779 65.095 63.200 0.194 0.000 1.162 35 S HN -0.068 nan 8.310 nan 0.000 0.487 36 S N 0.032 115.778 115.700 0.077 0.000 2.733 36 S HA 0.362 4.831 4.470 -0.000 0.000 0.247 36 S C -0.379 174.311 174.600 0.150 0.000 1.043 36 S CA -0.434 57.814 58.200 0.081 0.000 1.066 36 S CB -0.342 62.884 63.200 0.043 0.000 1.045 36 S HN 0.695 nan 8.310 nan 0.000 0.586 37 N N 1.255 120.078 118.700 0.205 0.000 2.456 37 N HA 0.415 5.155 4.740 -0.000 0.000 0.288 37 N C -1.259 174.428 175.510 0.294 0.000 1.059 37 N CA -0.391 52.822 53.050 0.271 0.000 0.946 37 N CB 0.894 39.606 38.487 0.375 0.000 1.150 37 N HN 0.261 nan 8.380 nan 0.000 0.479 38 F N 2.273 122.275 119.950 0.087 0.000 2.390 38 F HA 0.575 5.102 4.527 -0.000 0.000 0.361 38 F C -0.376 175.399 175.800 -0.041 0.000 1.124 38 F CA -0.702 57.297 58.000 -0.001 0.000 1.149 38 F CB 0.295 39.294 39.000 -0.001 0.000 1.160 38 F HN 0.421 nan 8.300 nan 0.000 0.501 39 A N 6.514 129.176 122.820 -0.263 0.000 2.381 39 A HA 0.653 4.973 4.320 -0.000 0.000 0.299 39 A C -1.434 175.874 177.584 -0.460 0.000 1.049 39 A CA -0.577 51.139 52.037 -0.536 0.000 0.715 39 A CB 1.360 19.737 19.000 -1.038 0.000 1.222 39 A HN 0.793 nan 8.150 nan 0.000 0.428 40 V N 0.331 120.004 119.914 -0.401 0.000 2.735 40 V HA 0.929 5.049 4.120 -0.000 0.000 0.310 40 V C 0.488 176.589 176.094 0.012 0.000 1.061 40 V CA -0.241 61.964 62.300 -0.159 0.000 0.913 40 V CB 1.272 32.937 31.823 -0.264 0.000 1.005 40 V HN 1.579 nan 8.190 nan 0.000 0.428 41 G N 2.149 111.046 108.800 0.162 0.000 2.305 41 G HA2 0.479 4.439 3.960 -0.000 0.000 0.243 41 G HA3 0.479 4.439 3.960 -0.000 0.000 0.243 41 G C 0.549 175.526 174.900 0.130 0.000 1.288 41 G CA 0.191 45.364 45.100 0.122 0.000 0.901 41 G HN 1.927 nan 8.290 nan 0.000 0.516 42 A N 1.553 124.421 122.820 0.080 0.000 2.609 42 A HA 0.777 5.097 4.320 -0.000 0.000 0.286 42 A C 0.757 178.313 177.584 -0.048 0.000 1.138 42 A CA 0.712 52.802 52.037 0.088 0.000 0.960 42 A CB 0.163 19.183 19.000 0.034 0.000 1.208 42 A HN 1.771 nan 8.150 nan 0.000 0.541 43 A N 0.422 123.075 122.820 -0.279 0.000 2.572 43 A HA 0.754 5.074 4.320 -0.000 0.000 0.295 43 A C -3.039 173.964 177.584 -0.967 0.000 1.072 43 A CA -1.529 50.205 52.037 -0.506 0.000 0.691 43 A CB 0.967 19.836 19.000 -0.219 0.000 1.291 43 A HN -0.017 nan 8.150 nan 0.000 0.404 44 P HA 0.007 nan 4.420 nan 0.000 0.232 44 P C -0.308 176.786 177.300 -0.344 0.000 1.738 44 P CA 0.179 62.812 63.100 -0.778 0.000 0.948 44 P CB -0.735 30.734 31.700 -0.384 0.000 1.943 45 H N 4.010 122.846 119.070 -0.390 0.000 3.034 45 H HA 0.007 4.563 4.556 -0.000 0.000 0.324 45 H C -0.990 174.203 175.328 -0.226 0.000 1.015 45 H CA -0.868 55.011 56.048 -0.282 0.000 1.429 45 H CB 0.873 30.465 29.762 -0.282 0.000 1.429 45 H HN 0.137 nan 8.280 nan 0.000 0.585 46 P HA -0.196 nan 4.420 nan 0.000 0.217 46 P C 1.457 178.872 177.300 0.190 0.000 1.148 46 P CA 1.360 64.430 63.100 -0.050 0.000 0.828 46 P CB -0.136 31.486 31.700 -0.131 0.000 0.783 47 F N -0.822 119.232 119.950 0.174 0.000 2.604 47 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 47 F C 1.366 177.050 175.800 -0.193 0.000 1.131 47 F CA -0.319 57.678 58.000 -0.004 0.000 1.457 47 F CB -0.034 38.973 39.000 0.011 0.000 1.095 47 F HN -0.173 nan 8.300 nan 0.000 0.574 48 L N -0.229 120.985 121.223 -0.014 0.000 2.322 48 L HA 0.225 4.565 4.340 -0.000 0.000 0.279 48 L C 1.218 178.040 176.870 -0.081 0.000 1.036 48 L CA -0.720 54.038 54.840 -0.137 0.000 0.807 48 L CB 1.148 43.070 42.059 -0.230 0.000 1.226 48 L HN 0.059 nan 8.230 nan 0.000 0.433 49 H N 2.591 121.614 119.070 -0.079 0.000 2.436 49 H HA 0.092 4.648 4.556 -0.000 0.000 0.294 49 H C 0.203 175.515 175.328 -0.026 0.000 1.048 49 H CA 0.633 56.651 56.048 -0.049 0.000 1.353 49 H CB 0.523 30.236 29.762 -0.081 0.000 1.414 49 H HN 0.539 nan 8.280 nan 0.000 0.536 50 R N -0.609 119.957 120.500 0.110 0.000 2.712 50 R HA 0.293 4.632 4.340 -0.000 0.000 0.272 50 R C -1.957 174.389 176.300 0.076 0.000 1.032 50 R CA -0.882 55.217 56.100 -0.002 0.000 0.874 50 R CB 1.477 31.747 30.300 -0.050 0.000 1.256 50 R HN 0.058 nan 8.270 nan 0.000 0.468 51 Y N -2.225 118.061 120.300 -0.022 0.000 2.638 51 Y HA 0.487 5.037 4.550 -0.000 0.000 0.335 51 Y C -1.469 174.466 175.900 0.059 0.000 1.155 51 Y CA -1.637 56.454 58.100 -0.015 0.000 1.046 51 Y CB 0.650 39.077 38.460 -0.056 0.000 1.303 51 Y HN 0.550 nan 8.280 nan 0.000 0.460 52 Y N 3.134 123.485 120.300 0.084 0.000 2.587 52 Y HA 0.248 4.798 4.550 -0.000 0.000 0.344 52 Y C -0.402 175.509 175.900 0.018 0.000 1.061 52 Y CA -0.666 57.430 58.100 -0.006 0.000 1.370 52 Y CB 0.509 38.942 38.460 -0.046 0.000 1.163 52 Y HN 0.651 nan 8.280 nan 0.000 0.527 53 Q N 7.380 127.110 119.800 -0.117 0.000 2.509 53 Q HA 0.234 4.573 4.340 -0.000 0.000 0.230 53 Q C 1.011 176.746 176.000 -0.442 0.000 1.089 53 Q CA -0.395 55.269 55.803 -0.232 0.000 0.901 53 Q CB 0.893 29.541 28.738 -0.150 0.000 1.208 53 Q HN 0.796 nan 8.270 nan 0.000 0.529 54 R N 1.244 121.300 120.500 -0.739 0.000 2.105 54 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 54 R C 2.192 178.255 176.300 -0.394 0.000 1.135 54 R CA 1.486 57.081 56.100 -0.842 0.000 0.967 54 R CB 0.067 29.677 30.300 -1.150 0.000 0.861 54 R HN 0.619 nan 8.270 nan 0.000 0.442 55 Q N 1.068 120.712 119.800 -0.260 0.000 2.297 55 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 55 Q C 1.547 177.502 176.000 -0.074 0.000 0.981 55 Q CA 1.485 57.213 55.803 -0.125 0.000 0.876 55 Q CB -0.247 28.437 28.738 -0.089 0.000 0.921 55 Q HN 0.440 nan 8.270 nan 0.000 0.446 56 L N 0.980 122.152 121.223 -0.086 0.000 2.591 56 L HA 0.188 4.528 4.340 -0.000 0.000 0.228 56 L C 0.794 177.666 176.870 0.003 0.000 1.133 56 L CA -0.077 54.741 54.840 -0.037 0.000 0.880 56 L CB 0.254 42.289 42.059 -0.041 0.000 1.033 56 L HN 0.019 nan 8.230 nan 0.000 0.450 57 S N -0.901 114.809 115.700 0.016 0.000 2.596 57 S HA 0.219 4.689 4.470 -0.000 0.000 0.318 57 S C 1.122 175.790 174.600 0.113 0.000 1.097 57 S CA -0.589 57.664 58.200 0.088 0.000 1.080 57 S CB 1.325 64.621 63.200 0.160 0.000 0.991 57 S HN 0.282 nan 8.310 nan 0.000 0.471 58 S N 3.004 118.758 115.700 0.091 0.000 2.428 58 S HA -0.108 4.362 4.470 -0.000 0.000 0.230 58 S C 1.646 176.305 174.600 0.098 0.000 1.014 58 S CA 1.320 59.569 58.200 0.082 0.000 0.957 58 S CB -0.843 62.391 63.200 0.056 0.000 0.784 58 S HN 0.856 nan 8.310 nan 0.000 0.499 59 T N -2.018 112.607 114.554 0.119 0.000 3.100 59 T HA 0.145 4.495 4.350 -0.000 0.000 0.253 59 T C 0.381 175.166 174.700 0.141 0.000 1.118 59 T CA -0.347 61.819 62.100 0.110 0.000 1.058 59 T CB -0.721 68.206 68.868 0.099 0.000 0.953 59 T HN 0.422 nan 8.240 nan 0.000 0.515 60 Y N 3.081 123.430 120.300 0.082 0.000 2.511 60 Y HA 0.362 4.911 4.550 -0.000 0.000 0.332 60 Y C 0.239 176.179 175.900 0.065 0.000 1.177 60 Y CA -0.852 57.305 58.100 0.095 0.000 1.422 60 Y CB 0.371 38.879 38.460 0.079 0.000 1.271 60 Y HN 0.040 nan 8.280 nan 0.000 0.550 61 R N 4.912 124.892 120.500 -0.868 0.000 2.532 61 R HA 0.182 4.522 4.340 -0.000 0.000 0.297 61 R C -1.463 174.301 176.300 -0.894 0.000 0.984 61 R CA -1.003 54.709 56.100 -0.647 0.000 0.884 61 R CB 1.356 31.490 30.300 -0.276 0.000 1.182 61 R HN 0.672 nan 8.270 nan 0.000 0.442 62 D N 2.886 122.963 120.400 -0.538 0.000 2.304 62 D HA 0.113 4.753 4.640 -0.000 0.000 0.250 62 D C 0.501 176.746 176.300 -0.093 0.000 1.107 62 D CA -0.060 53.816 54.000 -0.206 0.000 0.885 62 D CB 1.422 42.255 40.800 0.056 0.000 1.192 62 D HN 0.465 nan 8.370 nan 0.000 0.436 63 L N 3.023 124.236 121.223 -0.017 0.000 2.640 63 L HA 0.200 4.539 4.340 -0.000 0.000 0.230 63 L C 0.609 177.496 176.870 0.028 0.000 1.123 63 L CA -0.122 54.721 54.840 0.005 0.000 0.900 63 L CB 0.045 42.119 42.059 0.024 0.000 1.146 63 L HN 0.406 nan 8.230 nan 0.000 0.484 64 R N 1.075 121.600 120.500 0.042 0.000 3.251 64 R HA -0.218 4.122 4.340 -0.000 0.000 0.249 64 R C -0.163 176.162 176.300 0.042 0.000 0.949 64 R CA 0.634 56.759 56.100 0.043 0.000 0.645 64 R CB -1.570 28.747 30.300 0.028 0.000 1.065 64 R HN 0.272 nan 8.270 nan 0.000 0.452 65 K N -0.378 120.055 120.400 0.055 0.000 2.572 65 K HA 0.488 4.808 4.320 -0.000 0.000 0.263 65 K C -0.431 176.211 176.600 0.069 0.000 0.932 65 K CA -0.163 56.155 56.287 0.052 0.000 0.838 65 K CB 1.790 34.317 32.500 0.045 0.000 1.366 65 K HN 0.154 nan 8.250 nan 0.000 0.425 66 G N 0.977 109.813 108.800 0.060 0.000 2.462 66 G HA2 0.611 4.571 3.960 -0.000 0.000 0.319 66 G HA3 0.611 4.571 3.960 -0.000 0.000 0.319 66 G C -1.376 173.566 174.900 0.071 0.000 1.171 66 G CA -0.593 44.552 45.100 0.075 0.000 0.920 66 G HN 0.427 nan 8.290 nan 0.000 0.499 67 V N 0.539 120.504 119.914 0.085 0.000 2.668 67 V HA 0.655 4.775 4.120 -0.000 0.000 0.304 67 V C -2.067 174.003 176.094 -0.040 0.000 1.071 67 V CA -0.948 61.370 62.300 0.030 0.000 0.894 67 V CB 1.638 33.502 31.823 0.069 0.000 1.008 67 V HN 0.763 nan 8.190 nan 0.000 0.425 68 Y N 5.653 125.793 120.300 -0.268 0.000 2.338 68 Y HA 0.711 5.261 4.550 -0.000 0.000 0.328 68 Y C -0.797 174.780 175.900 -0.538 0.000 0.965 68 Y CA -0.609 57.278 58.100 -0.354 0.000 1.208 68 Y CB 1.989 40.324 38.460 -0.208 0.000 1.132 68 Y HN 0.451 nan 8.280 nan 0.000 0.469 69 V N 9.294 128.479 119.914 -1.215 0.000 2.266 69 V HA 0.365 4.485 4.120 -0.000 0.000 0.271 69 V C -2.348 172.995 176.094 -1.252 0.000 1.032 69 V CA -1.709 59.844 62.300 -1.245 0.000 0.806 69 V CB 0.651 31.445 31.823 -1.716 0.000 1.052 69 V HN 0.621 nan 8.190 nan 0.000 0.449 70 P HA 0.466 nan 4.420 nan 0.000 0.282 70 P C -1.369 175.598 177.300 -0.555 0.000 1.249 70 P CA -0.249 62.486 63.100 -0.608 0.000 0.806 70 P CB 1.221 32.800 31.700 -0.202 0.000 0.984 71 Y N -1.007 119.239 120.300 -0.091 0.000 2.659 71 Y HA 0.301 4.851 4.550 -0.000 0.000 0.333 71 Y C 2.235 178.140 175.900 0.007 0.000 1.064 71 Y CA -0.491 57.600 58.100 -0.014 0.000 1.141 71 Y CB 0.246 38.727 38.460 0.035 0.000 1.316 71 Y HN 0.199 nan 8.280 nan 0.000 0.509 72 T N -0.336 114.343 114.554 0.208 0.000 2.652 72 T HA -0.207 4.142 4.350 -0.000 0.000 0.267 72 T C 1.468 176.238 174.700 0.117 0.000 1.039 72 T CA 2.176 64.348 62.100 0.120 0.000 1.153 72 T CB -0.197 68.721 68.868 0.084 0.000 0.863 72 T HN 0.569 nan 8.240 nan 0.000 0.428 73 Q N 0.607 120.486 119.800 0.132 0.000 1.948 73 Q HA 0.205 4.545 4.340 -0.000 0.000 0.205 73 Q C 1.960 178.040 176.000 0.134 0.000 0.992 73 Q CA 1.686 57.554 55.803 0.109 0.000 0.849 73 Q CB -0.674 28.110 28.738 0.077 0.000 0.918 73 Q HN 0.586 nan 8.270 nan 0.000 0.421 74 G N -1.216 107.701 108.800 0.196 0.000 3.420 74 G HA2 0.554 4.514 3.960 -0.000 0.000 0.183 74 G HA3 0.554 4.514 3.960 -0.000 0.000 0.183 74 G C -1.185 173.809 174.900 0.156 0.000 1.315 74 G CA 0.023 45.227 45.100 0.173 0.000 0.958 74 G HN 0.276 nan 8.290 nan 0.000 0.745 75 K N -1.366 119.133 120.400 0.165 0.000 3.040 75 K HA 0.392 4.712 4.320 -0.000 0.000 0.300 75 K C -1.728 174.835 176.600 -0.062 0.000 1.092 75 K CA -0.859 55.369 56.287 -0.098 0.000 0.831 75 K CB 0.447 32.710 32.500 -0.394 0.000 1.469 75 K HN 1.075 nan 8.250 nan 0.000 0.365 76 W N 0.549 121.593 121.300 -0.427 0.000 3.031 76 W HA 0.799 5.459 4.660 -0.000 0.000 0.337 76 W C -1.603 174.673 176.519 -0.405 0.000 1.187 76 W CA -0.504 56.577 57.345 -0.439 0.000 1.166 76 W CB 1.651 30.688 29.460 -0.705 0.000 1.437 76 W HN 0.932 nan 8.180 nan 0.000 0.551 77 E N 1.208 121.520 120.200 0.188 0.000 2.290 77 E HA 0.591 4.941 4.350 -0.000 0.000 0.274 77 E C -0.917 175.868 176.600 0.307 0.000 0.889 77 E CA -0.450 56.032 56.400 0.136 0.000 0.760 77 E CB 2.238 32.016 29.700 0.130 0.000 1.206 77 E HN 0.831 nan 8.360 nan 0.000 0.419 78 G N 2.523 111.507 108.800 0.306 0.000 2.682 78 G HA2 0.381 4.341 3.960 -0.000 0.000 0.303 78 G HA3 0.381 4.341 3.960 -0.000 0.000 0.303 78 G C -1.385 173.630 174.900 0.191 0.000 1.341 78 G CA -0.719 44.534 45.100 0.254 0.000 0.784 78 G HN 0.474 nan 8.290 nan 0.000 0.497 79 E N 0.042 120.339 120.200 0.162 0.000 2.151 79 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 79 E C -0.478 176.231 176.600 0.181 0.000 0.936 79 E CA -0.446 56.044 56.400 0.150 0.000 0.777 79 E CB 2.421 32.197 29.700 0.127 0.000 1.108 79 E HN 0.229 nan 8.360 nan 0.000 0.401 80 L N 2.543 123.866 121.223 0.167 0.000 2.349 80 L HA 0.576 4.916 4.340 -0.000 0.000 0.275 80 L C 0.674 177.650 176.870 0.176 0.000 1.115 80 L CA -0.050 54.890 54.840 0.167 0.000 0.820 80 L CB 0.924 43.061 42.059 0.129 0.000 1.135 80 L HN 0.687 nan 8.230 nan 0.000 0.445 81 G N 0.870 109.788 108.800 0.196 0.000 2.682 81 G HA2 0.675 4.635 3.960 -0.000 0.000 0.303 81 G HA3 0.675 4.635 3.960 -0.000 0.000 0.303 81 G C -1.258 173.699 174.900 0.094 0.000 1.341 81 G CA -0.193 44.973 45.100 0.109 0.000 0.784 81 G HN 0.526 nan 8.290 nan 0.000 0.497 82 T N -1.983 112.559 114.554 -0.020 0.000 2.916 82 T HA 0.727 5.077 4.350 -0.000 0.000 0.305 82 T C -1.631 173.128 174.700 0.099 0.000 1.119 82 T CA -0.654 61.485 62.100 0.065 0.000 1.008 82 T CB 2.920 71.801 68.868 0.022 0.000 1.129 82 T HN 0.620 nan 8.240 nan 0.000 0.480 83 D N 0.345 120.851 120.400 0.176 0.000 2.692 83 D HA 0.366 5.006 4.640 -0.000 0.000 0.303 83 D C -0.917 175.479 176.300 0.160 0.000 1.278 83 D CA -0.718 53.404 54.000 0.204 0.000 0.852 83 D CB 1.870 42.879 40.800 0.348 0.000 1.375 83 D HN 0.672 nan 8.370 nan 0.000 0.453 84 L N 1.159 122.467 121.223 0.142 0.000 2.319 84 L HA 0.444 4.784 4.340 -0.000 0.000 0.280 84 L C -0.275 176.667 176.870 0.120 0.000 1.099 84 L CA -0.545 54.361 54.840 0.111 0.000 0.828 84 L CB 1.089 43.200 42.059 0.086 0.000 1.150 84 L HN 0.075 nan 8.230 nan 0.000 0.442 85 V N 2.505 122.498 119.914 0.132 0.000 2.588 85 V HA 0.499 4.618 4.120 -0.000 0.000 0.304 85 V C -0.174 175.985 176.094 0.107 0.000 1.042 85 V CA -0.412 61.970 62.300 0.137 0.000 0.877 85 V CB 1.997 33.950 31.823 0.217 0.000 0.996 85 V HN 0.819 nan 8.190 nan 0.000 0.425 86 S N 4.198 119.933 115.700 0.057 0.000 2.599 86 S HA 0.741 5.211 4.470 -0.000 0.000 0.294 86 S C -0.665 173.939 174.600 0.006 0.000 1.094 86 S CA -0.582 57.641 58.200 0.039 0.000 0.931 86 S CB 1.944 65.156 63.200 0.021 0.000 1.093 86 S HN 0.565 nan 8.310 nan 0.000 0.488 87 I N 2.729 123.305 120.570 0.011 0.000 2.428 87 I HA 0.280 4.450 4.170 -0.000 0.000 0.279 87 I C -2.018 174.087 176.117 -0.021 0.000 1.040 87 I CA -2.209 59.088 61.300 -0.005 0.000 1.171 87 I CB 1.517 39.524 38.000 0.013 0.000 1.312 87 I HN 0.373 nan 8.210 nan 0.000 0.470 88 P HA -0.211 nan 4.420 nan 0.000 0.217 88 P C 0.524 177.650 177.300 -0.290 0.000 1.162 88 P CA 1.635 64.613 63.100 -0.205 0.000 0.901 88 P CB 0.017 31.551 31.700 -0.278 0.000 0.793 89 H N -0.753 118.338 119.070 0.034 0.000 2.557 89 H HA 0.512 5.068 4.556 -0.000 0.000 0.236 89 H C 1.021 176.378 175.328 0.048 0.000 1.676 89 H CA 0.181 56.253 56.048 0.041 0.000 1.197 89 H CB -0.453 29.330 29.762 0.035 0.000 1.604 89 H HN 0.152 nan 8.280 nan 0.000 0.509 90 G N 1.094 109.954 108.800 0.101 0.000 2.947 90 G HA2 0.315 4.275 3.960 -0.000 0.000 0.293 90 G HA3 0.315 4.275 3.960 -0.000 0.000 0.293 90 G C -2.801 172.157 174.900 0.096 0.000 1.243 90 G CA -1.081 44.080 45.100 0.101 0.000 0.802 90 G HN -0.006 nan 8.290 nan 0.000 0.560 91 P HA 0.238 nan 4.420 nan 0.000 0.279 91 P C -0.684 176.646 177.300 0.050 0.000 1.239 91 P CA -0.601 62.551 63.100 0.087 0.000 0.789 91 P CB 0.780 32.531 31.700 0.084 0.000 0.933 92 N N 1.579 120.306 118.700 0.045 0.000 3.027 92 N HA 0.133 4.873 4.740 -0.000 0.000 0.309 92 N C 0.029 175.551 175.510 0.021 0.000 1.222 92 N CA 0.325 53.391 53.050 0.026 0.000 1.187 92 N CB -0.561 37.941 38.487 0.024 0.000 1.458 92 N HN 0.270 nan 8.380 nan 0.000 0.535 93 V N -2.010 117.912 119.914 0.013 0.000 3.160 93 V HA 0.726 4.846 4.120 -0.000 0.000 0.310 93 V C -0.057 176.038 176.094 0.002 0.000 1.181 93 V CA -0.750 61.550 62.300 -0.000 0.000 1.047 93 V CB 2.284 34.094 31.823 -0.023 0.000 1.068 93 V HN 0.065 nan 8.190 nan 0.000 0.441 94 T N 1.568 116.119 114.554 -0.005 0.000 2.921 94 T HA 0.739 5.089 4.350 -0.000 0.000 0.297 94 T C -0.620 174.075 174.700 -0.008 0.000 1.013 94 T CA -0.261 61.845 62.100 0.010 0.000 0.990 94 T CB 1.455 70.335 68.868 0.019 0.000 1.023 94 T HN 1.672 nan 8.240 nan 0.000 0.447 95 V N 1.076 120.993 119.914 0.006 0.000 3.001 95 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 95 V C -0.448 175.662 176.094 0.027 0.000 1.099 95 V CA -1.574 60.708 62.300 -0.029 0.000 0.989 95 V CB 2.018 33.758 31.823 -0.139 0.000 1.040 95 V HN 0.852 nan 8.190 nan 0.000 0.434 96 R N 2.285 122.791 120.500 0.009 0.000 2.210 96 R HA 0.756 5.096 4.340 -0.000 0.000 0.338 96 R C -0.148 176.186 176.300 0.057 0.000 1.062 96 R CA 0.398 56.526 56.100 0.046 0.000 0.902 96 R CB 0.555 30.870 30.300 0.025 0.000 1.050 96 R HN 1.231 nan 8.270 nan 0.000 0.461 97 A N 4.178 127.084 122.820 0.143 0.000 2.330 97 A HA 0.424 4.744 4.320 -0.000 0.000 0.329 97 A C -0.733 176.986 177.584 0.226 0.000 1.135 97 A CA -1.036 51.124 52.037 0.205 0.000 0.817 97 A CB 0.979 20.229 19.000 0.417 0.000 1.269 97 A HN 0.800 nan 8.150 nan 0.000 0.469 98 N N 0.476 119.310 118.700 0.223 0.000 2.492 98 N HA 0.301 5.041 4.740 -0.000 0.000 0.262 98 N C -0.775 174.905 175.510 0.284 0.000 1.202 98 N CA 0.725 53.904 53.050 0.215 0.000 0.926 98 N CB 0.572 39.169 38.487 0.182 0.000 1.078 98 N HN 0.503 nan 8.380 nan 0.000 0.454 99 I N 0.544 121.228 120.570 0.189 0.000 2.582 99 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 99 I C -0.345 175.817 176.117 0.076 0.000 1.066 99 I CA -1.105 60.219 61.300 0.040 0.000 1.053 99 I CB 2.048 40.020 38.000 -0.046 0.000 1.241 99 I HN 0.350 nan 8.210 nan 0.000 0.421 100 A N 4.598 127.405 122.820 -0.021 0.000 2.256 100 A HA 0.767 5.087 4.320 -0.000 0.000 0.317 100 A C 0.123 177.687 177.584 -0.032 0.000 1.318 100 A CA -0.522 51.550 52.037 0.058 0.000 0.894 100 A CB 0.676 19.773 19.000 0.162 0.000 1.165 100 A HN 0.816 nan 8.150 nan 0.000 0.525 101 A N 3.979 126.854 122.820 0.091 0.000 2.410 101 A HA 0.514 4.834 4.320 -0.000 0.000 0.292 101 A C 0.138 177.757 177.584 0.059 0.000 1.232 101 A CA -0.192 51.901 52.037 0.093 0.000 0.893 101 A CB -0.543 18.515 19.000 0.097 0.000 1.131 101 A HN 0.766 nan 8.150 nan 0.000 0.530 102 I N 3.474 124.043 120.570 -0.001 0.000 2.452 102 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 102 I C 1.547 177.718 176.117 0.089 0.000 1.079 102 I CA 0.389 61.710 61.300 0.034 0.000 1.387 102 I CB 1.051 39.013 38.000 -0.064 0.000 1.404 102 I HN 0.844 nan 8.210 nan 0.000 0.522 103 T N 0.870 115.489 114.554 0.110 0.000 2.969 103 T HA 0.229 4.578 4.350 -0.000 0.000 0.250 103 T C 0.542 175.298 174.700 0.095 0.000 1.021 103 T CA -0.091 62.055 62.100 0.076 0.000 1.003 103 T CB 0.612 69.513 68.868 0.056 0.000 1.040 103 T HN 0.469 nan 8.240 nan 0.000 0.492 104 E N 1.543 121.822 120.200 0.132 0.000 2.290 104 E HA 0.527 4.877 4.350 -0.000 0.000 0.274 104 E C -1.480 175.214 176.600 0.156 0.000 0.889 104 E CA -0.267 56.213 56.400 0.133 0.000 0.760 104 E CB 2.548 32.314 29.700 0.110 0.000 1.206 104 E HN 0.475 nan 8.360 nan 0.000 0.419 105 S N 2.117 117.925 115.700 0.180 0.000 2.588 105 S HA 0.633 5.103 4.470 -0.000 0.000 0.275 105 S C -1.202 173.501 174.600 0.172 0.000 1.130 105 S CA -0.967 57.330 58.200 0.160 0.000 0.855 105 S CB 2.282 65.559 63.200 0.128 0.000 1.116 105 S HN 0.367 nan 8.310 nan 0.000 0.472 106 D N 0.307 120.803 120.400 0.161 0.000 2.686 106 D HA 0.451 5.090 4.640 -0.000 0.000 0.249 106 D C -0.793 175.625 176.300 0.196 0.000 1.260 106 D CA -0.457 53.639 54.000 0.160 0.000 0.910 106 D CB 0.825 41.696 40.800 0.118 0.000 1.323 106 D HN 0.695 nan 8.370 nan 0.000 0.561 107 K N 1.960 122.479 120.400 0.198 0.000 3.088 107 K HA -0.268 4.052 4.320 -0.000 0.000 0.273 107 K C 0.190 176.905 176.600 0.192 0.000 1.111 107 K CA 0.409 56.809 56.287 0.190 0.000 0.803 107 K CB -1.237 31.352 32.500 0.148 0.000 1.226 107 K HN 0.455 nan 8.250 nan 0.000 0.485 108 F N 0.392 120.345 119.950 0.005 0.000 2.208 108 F HA 0.216 4.743 4.527 -0.000 0.000 0.282 108 F C 0.831 176.538 175.800 -0.156 0.000 1.071 108 F CA 0.295 58.224 58.000 -0.118 0.000 1.228 108 F CB 0.218 39.051 39.000 -0.277 0.000 1.088 108 F HN -0.050 nan 8.300 nan 0.000 0.512 109 F N 1.767 121.734 119.950 0.028 0.000 2.506 109 F HA 0.236 4.763 4.527 -0.000 0.000 0.351 109 F C 0.116 175.859 175.800 -0.096 0.000 1.136 109 F CA -0.231 57.618 58.000 -0.250 0.000 1.298 109 F CB 0.168 38.992 39.000 -0.294 0.000 1.145 109 F HN -0.244 nan 8.300 nan 0.000 0.593 110 I N 2.365 122.829 120.570 -0.176 0.000 2.336 110 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 110 I C -0.126 175.729 176.117 -0.438 0.000 0.991 110 I CA -0.842 60.326 61.300 -0.220 0.000 1.227 110 I CB 1.184 39.060 38.000 -0.207 0.000 1.366 110 I HN 0.494 nan 8.210 nan 0.000 0.466 111 N N 4.546 122.741 118.700 -0.842 0.000 2.438 111 N HA 0.229 4.969 4.740 -0.000 0.000 0.267 111 N C 0.764 175.966 175.510 -0.515 0.000 1.222 111 N CA 1.419 53.782 53.050 -1.144 0.000 0.930 111 N CB 0.703 38.285 38.487 -1.510 0.000 1.083 111 N HN 0.873 nan 8.380 nan 0.000 0.476 112 G N 1.509 110.091 108.800 -0.363 0.000 2.213 112 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.226 112 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.226 112 G C 0.236 175.057 174.900 -0.132 0.000 0.992 112 G CA 0.295 45.278 45.100 -0.196 0.000 0.632 112 G HN 0.978 nan 8.290 nan 0.000 0.511 113 S N -0.254 115.311 115.700 -0.226 0.000 2.608 113 S HA 0.527 4.997 4.470 -0.000 0.000 0.261 113 S C 0.617 175.087 174.600 -0.217 0.000 1.314 113 S CA 0.663 58.706 58.200 -0.260 0.000 0.992 113 S CB 1.593 64.436 63.200 -0.595 0.000 0.935 113 S HN 0.486 nan 8.310 nan 0.000 0.564 114 N N 0.487 119.012 118.700 -0.293 0.000 2.235 114 N HA 0.233 4.973 4.740 -0.000 0.000 0.231 114 N C -0.664 174.492 175.510 -0.590 0.000 1.177 114 N CA -0.736 52.042 53.050 -0.452 0.000 0.874 114 N CB 0.335 38.581 38.487 -0.402 0.000 1.097 114 N HN 0.766 nan 8.380 nan 0.000 0.518 115 W N -0.424 120.610 121.300 -0.444 0.000 2.719 115 W HA 0.577 5.237 4.660 -0.000 0.000 0.352 115 W C -0.608 175.845 176.519 -0.109 0.000 1.085 115 W CA -0.656 56.467 57.345 -0.371 0.000 1.187 115 W CB 0.680 29.952 29.460 -0.313 0.000 1.417 115 W HN -0.111 nan 8.180 nan 0.000 0.557 116 E N 0.870 121.255 120.200 0.309 0.000 2.676 116 E HA 0.339 4.688 4.350 -0.000 0.000 0.225 116 E C 0.473 177.347 176.600 0.457 0.000 0.944 116 E CA 0.022 56.522 56.400 0.167 0.000 1.156 116 E CB 1.550 31.264 29.700 0.023 0.000 1.117 116 E HN 0.647 nan 8.360 nan 0.000 0.523 117 G N 0.194 109.356 108.800 0.604 0.000 2.606 117 G HA2 0.612 4.572 3.960 -0.000 0.000 0.300 117 G HA3 0.612 4.572 3.960 -0.000 0.000 0.300 117 G C -1.800 173.266 174.900 0.277 0.000 1.360 117 G CA -0.740 44.613 45.100 0.421 0.000 0.783 117 G HN 0.055 nan 8.290 nan 0.000 0.484 118 I N -0.239 120.428 120.570 0.161 0.000 2.533 118 I HA 0.638 4.808 4.170 -0.000 0.000 0.290 118 I C -1.512 174.703 176.117 0.163 0.000 1.056 118 I CA -1.160 60.190 61.300 0.084 0.000 1.057 118 I CB 1.949 40.048 38.000 0.166 0.000 1.240 118 I HN 0.429 nan 8.210 nan 0.000 0.423 119 L N 8.223 129.481 121.223 0.059 0.000 2.272 119 L HA 0.614 4.954 4.340 -0.000 0.000 0.284 119 L C 0.189 177.046 176.870 -0.021 0.000 1.045 119 L CA -0.085 54.749 54.840 -0.010 0.000 0.842 119 L CB 0.740 42.649 42.059 -0.251 0.000 1.224 119 L HN 0.658 nan 8.230 nan 0.000 0.430 120 G N 5.300 114.145 108.800 0.075 0.000 2.372 120 G HA2 0.349 4.309 3.960 -0.000 0.000 0.286 120 G HA3 0.349 4.309 3.960 -0.000 0.000 0.286 120 G C 0.488 175.405 174.900 0.028 0.000 1.153 120 G CA -0.360 44.785 45.100 0.075 0.000 0.985 120 G HN 0.743 nan 8.290 nan 0.000 0.429 121 L N 1.974 123.180 121.223 -0.029 0.000 2.640 121 L HA 0.254 4.594 4.340 -0.000 0.000 0.230 121 L C 1.939 178.823 176.870 0.023 0.000 1.123 121 L CA -0.088 54.700 54.840 -0.086 0.000 0.900 121 L CB -0.011 41.830 42.059 -0.363 0.000 1.146 121 L HN 0.602 nan 8.230 nan 0.000 0.484 122 A N -0.789 122.027 122.820 -0.007 0.000 2.445 122 A HA 0.391 4.710 4.320 -0.000 0.000 0.270 122 A C -0.656 176.732 177.584 -0.326 0.000 1.495 122 A CA -0.009 51.871 52.037 -0.262 0.000 0.840 122 A CB -0.007 18.894 19.000 -0.165 0.000 1.472 122 A HN 0.082 nan 8.150 nan 0.000 0.541 123 Y N -2.352 117.858 120.300 -0.150 0.000 2.488 123 Y HA 0.470 5.019 4.550 -0.000 0.000 0.325 123 Y C 1.611 177.506 175.900 -0.009 0.000 1.204 123 Y CA 0.050 58.118 58.100 -0.052 0.000 1.229 123 Y CB 1.245 39.674 38.460 -0.052 0.000 1.274 123 Y HN 0.654 nan 8.280 nan 0.000 0.493 124 A N 0.619 123.568 122.820 0.215 0.000 1.986 124 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 124 A C 1.927 179.574 177.584 0.104 0.000 1.171 124 A CA 2.203 54.318 52.037 0.131 0.000 0.640 124 A CB -0.708 18.362 19.000 0.116 0.000 0.811 124 A HN 0.909 nan 8.150 nan 0.000 0.451 125 E N 0.252 120.526 120.200 0.123 0.000 2.219 125 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 125 E C 1.454 178.113 176.600 0.099 0.000 0.998 125 E CA 1.651 58.116 56.400 0.108 0.000 0.818 125 E CB -0.358 29.426 29.700 0.140 0.000 0.741 125 E HN 0.833 nan 8.360 nan 0.000 0.477 126 I N -3.220 117.379 120.570 0.047 0.000 4.025 126 I HA 0.477 4.647 4.170 -0.000 0.000 0.336 126 I C 0.523 176.625 176.117 -0.024 0.000 1.390 126 I CA -0.491 60.786 61.300 -0.039 0.000 1.099 126 I CB 0.373 38.188 38.000 -0.308 0.000 1.049 126 I HN -0.037 nan 8.210 nan 0.000 0.394 127 A N 2.239 125.072 122.820 0.023 0.000 2.462 127 A HA 0.560 4.880 4.320 -0.000 0.000 0.243 127 A C 0.109 177.713 177.584 0.033 0.000 1.076 127 A CA -0.212 51.854 52.037 0.047 0.000 0.773 127 A CB 0.323 19.369 19.000 0.077 0.000 1.010 127 A HN 0.346 nan 8.150 nan 0.000 0.493 128 R N 2.489 123.006 120.500 0.029 0.000 2.604 128 R HA 0.377 4.717 4.340 -0.000 0.000 0.287 128 R C -2.150 174.167 176.300 0.029 0.000 0.970 128 R CA -2.345 53.750 56.100 -0.008 0.000 0.946 128 R CB 0.623 30.862 30.300 -0.102 0.000 1.127 128 R HN 0.510 nan 8.270 nan 0.000 0.473 129 P HA -0.099 nan 4.420 nan 0.000 0.219 129 P C -0.502 176.804 177.300 0.010 0.000 1.150 129 P CA 1.183 64.284 63.100 0.001 0.000 0.814 129 P CB 0.361 32.068 31.700 0.010 0.000 0.787 130 D N -2.197 118.218 120.400 0.025 0.000 2.677 130 D HA 0.113 4.753 4.640 -0.000 0.000 0.298 130 D C -0.201 176.122 176.300 0.039 0.000 1.250 130 D CA -0.654 53.363 54.000 0.028 0.000 0.888 130 D CB -0.342 40.472 40.800 0.022 0.000 1.397 130 D HN -0.256 nan 8.370 nan 0.000 0.461 131 D N -1.117 119.306 120.400 0.039 0.000 2.392 131 D HA -0.092 4.548 4.640 -0.000 0.000 0.228 131 D C 1.123 177.452 176.300 0.048 0.000 1.003 131 D CA 0.813 54.842 54.000 0.048 0.000 0.917 131 D CB -0.211 40.615 40.800 0.044 0.000 0.890 131 D HN 0.267 nan 8.370 nan 0.000 0.532 132 S N -0.787 114.938 115.700 0.042 0.000 2.528 132 S HA 0.043 4.513 4.470 -0.000 0.000 0.219 132 S C 0.804 175.435 174.600 0.051 0.000 0.985 132 S CA -0.629 57.596 58.200 0.041 0.000 0.914 132 S CB -0.379 62.840 63.200 0.031 0.000 0.776 132 S HN 0.210 nan 8.310 nan 0.000 0.526 133 L N 3.619 124.878 121.223 0.061 0.000 2.401 133 L HA 0.322 4.662 4.340 -0.000 0.000 0.283 133 L C 0.319 177.243 176.870 0.089 0.000 1.151 133 L CA -0.111 54.775 54.840 0.078 0.000 0.942 133 L CB -0.247 41.867 42.059 0.090 0.000 1.283 133 L HN 0.326 nan 8.230 nan 0.000 0.442 134 E N 6.299 126.547 120.200 0.079 0.000 2.606 134 E HA 0.021 4.371 4.350 -0.000 0.000 0.248 134 E C -2.107 174.555 176.600 0.103 0.000 1.005 134 E CA -1.241 55.206 56.400 0.078 0.000 0.946 134 E CB 0.472 30.204 29.700 0.052 0.000 0.928 134 E HN 0.400 nan 8.360 nan 0.000 0.494 135 P HA -0.061 nan 4.420 nan 0.000 0.270 135 P C 0.023 177.408 177.300 0.142 0.000 1.223 135 P CA -0.210 62.978 63.100 0.148 0.000 0.785 135 P CB 0.363 32.139 31.700 0.126 0.000 0.923 136 F N 1.661 121.631 119.950 0.034 0.000 2.065 136 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 136 F C 2.002 177.773 175.800 -0.049 0.000 1.112 136 F CA 1.611 59.580 58.000 -0.052 0.000 1.212 136 F CB -0.874 37.999 39.000 -0.212 0.000 0.975 136 F HN 0.211 nan 8.300 nan 0.000 0.476 137 F N 1.336 121.166 119.950 -0.200 0.000 2.171 137 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 137 F C 2.404 178.071 175.800 -0.222 0.000 1.090 137 F CA 2.015 59.849 58.000 -0.276 0.000 1.293 137 F CB -0.601 38.351 39.000 -0.081 0.000 1.013 137 F HN 0.037 nan 8.300 nan 0.000 0.486 138 D N -0.574 119.853 120.400 0.044 0.000 2.116 138 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 138 D C 2.342 178.563 176.300 -0.132 0.000 0.998 138 D CA 1.898 55.904 54.000 0.010 0.000 0.836 138 D CB -0.335 40.503 40.800 0.063 0.000 0.951 138 D HN 0.259 nan 8.370 nan 0.000 0.449 139 S N 0.741 116.317 115.700 -0.206 0.000 2.382 139 S HA -0.144 4.325 4.470 -0.000 0.000 0.228 139 S C 1.918 176.299 174.600 -0.366 0.000 1.027 139 S CA 0.361 58.416 58.200 -0.242 0.000 0.991 139 S CB -0.250 62.817 63.200 -0.222 0.000 0.823 139 S HN 0.150 nan 8.310 nan 0.000 0.469 140 L N 1.703 122.552 121.223 -0.624 0.000 2.046 140 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 140 L C 2.148 178.743 176.870 -0.459 0.000 1.077 140 L CA 1.622 56.055 54.840 -0.678 0.000 0.747 140 L CB -0.630 40.775 42.059 -1.090 0.000 0.896 140 L HN 0.132 nan 8.230 nan 0.000 0.432 141 V N -0.526 119.150 119.914 -0.398 0.000 2.379 141 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 141 V C 2.584 178.592 176.094 -0.142 0.000 1.044 141 V CA 1.838 64.010 62.300 -0.213 0.000 1.036 141 V CB -0.593 31.188 31.823 -0.070 0.000 0.664 141 V HN 0.462 nan 8.190 nan 0.000 0.453 142 K N -0.431 119.890 120.400 -0.132 0.000 2.152 142 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 142 K C 2.027 178.552 176.600 -0.124 0.000 1.048 142 K CA 1.563 57.791 56.287 -0.099 0.000 0.933 142 K CB 0.039 32.492 32.500 -0.079 0.000 0.721 142 K HN 0.535 nan 8.250 nan 0.000 0.447 143 Q N -0.757 118.946 119.800 -0.162 0.000 2.280 143 Q HA 0.038 4.378 4.340 -0.000 0.000 0.228 143 Q C 0.189 176.071 176.000 -0.196 0.000 0.857 143 Q CA 0.344 56.052 55.803 -0.158 0.000 0.939 143 Q CB 1.505 30.159 28.738 -0.141 0.000 1.114 143 Q HN 0.291 nan 8.270 nan 0.000 0.514 144 T N -3.851 110.572 114.554 -0.219 0.000 2.807 144 T HA 0.302 4.652 4.350 -0.000 0.000 0.277 144 T C 0.125 174.666 174.700 -0.264 0.000 1.006 144 T CA -0.675 61.288 62.100 -0.229 0.000 1.006 144 T CB 0.916 69.695 68.868 -0.148 0.000 1.274 144 T HN 0.046 nan 8.240 nan 0.000 0.569 145 H N -1.154 117.897 119.070 -0.032 0.000 2.539 145 H HA 0.410 4.966 4.556 -0.000 0.000 0.269 145 H C 0.351 175.679 175.328 0.001 0.000 0.980 145 H CA -0.266 55.776 56.048 -0.009 0.000 1.152 145 H CB 0.118 29.882 29.762 0.004 0.000 1.407 145 H HN 0.237 nan 8.280 nan 0.000 0.564 146 V N 3.860 123.807 119.914 0.055 0.000 2.509 146 V HA -0.034 4.086 4.120 -0.000 0.000 0.297 146 V C -1.792 174.337 176.094 0.058 0.000 1.014 146 V CA -1.148 61.176 62.300 0.040 0.000 1.127 146 V CB 0.202 31.989 31.823 -0.061 0.000 0.925 146 V HN 0.197 nan 8.190 nan 0.000 0.480 147 P HA 0.045 nan 4.420 nan 0.000 0.268 147 P C 0.032 177.456 177.300 0.207 0.000 1.208 147 P CA -0.262 62.924 63.100 0.142 0.000 0.777 147 P CB 0.324 32.113 31.700 0.148 0.000 0.875 148 N N 2.353 121.182 118.700 0.214 0.000 3.193 148 N HA 0.172 4.912 4.740 -0.000 0.000 0.312 148 N C -0.720 174.965 175.510 0.292 0.000 1.261 148 N CA 0.043 53.289 53.050 0.327 0.000 1.208 148 N CB -1.266 37.361 38.487 0.234 0.000 1.471 148 N HN 0.337 nan 8.380 nan 0.000 0.548 149 L N -1.536 119.885 121.223 0.330 0.000 2.710 149 L HA 0.741 5.081 4.340 -0.000 0.000 0.260 149 L C -1.565 175.403 176.870 0.164 0.000 0.993 149 L CA -1.178 53.722 54.840 0.099 0.000 0.877 149 L CB 1.307 43.376 42.059 0.017 0.000 1.461 149 L HN -0.018 nan 8.230 nan 0.000 0.413 150 F N -0.200 119.663 119.950 -0.146 0.000 2.685 150 F HA 0.960 5.487 4.527 -0.000 0.000 0.315 150 F C -0.891 174.829 175.800 -0.133 0.000 1.126 150 F CA -0.341 57.574 58.000 -0.141 0.000 0.950 150 F CB 1.600 40.461 39.000 -0.232 0.000 1.360 150 F HN 0.735 nan 8.300 nan 0.000 0.469 151 S N 1.120 116.835 115.700 0.025 0.000 2.564 151 S HA 0.851 5.320 4.470 -0.000 0.000 0.274 151 S C -1.616 172.980 174.600 -0.006 0.000 1.124 151 S CA -0.870 57.222 58.200 -0.180 0.000 0.869 151 S CB 1.893 64.778 63.200 -0.524 0.000 1.105 151 S HN 0.853 nan 8.310 nan 0.000 0.472 152 L N 1.699 122.874 121.223 -0.079 0.000 2.362 152 L HA 0.589 4.929 4.340 -0.000 0.000 0.275 152 L C -0.407 176.481 176.870 0.030 0.000 0.998 152 L CA -0.438 54.409 54.840 0.012 0.000 0.820 152 L CB 2.050 44.133 42.059 0.040 0.000 1.270 152 L HN 0.779 nan 8.230 nan 0.000 0.415 153 Q N 4.780 124.647 119.800 0.112 0.000 2.413 153 Q HA 0.479 4.818 4.340 -0.000 0.000 0.258 153 Q C -1.653 174.313 176.000 -0.058 0.000 1.037 153 Q CA -0.592 55.287 55.803 0.126 0.000 0.764 153 Q CB 1.233 30.104 28.738 0.220 0.000 1.217 153 Q HN 0.625 nan 8.270 nan 0.000 0.490 154 L N 3.629 124.754 121.223 -0.163 0.000 2.260 154 L HA 0.469 4.808 4.340 -0.000 0.000 0.289 154 L C -0.640 176.176 176.870 -0.090 0.000 1.057 154 L CA -0.824 53.783 54.840 -0.389 0.000 0.811 154 L CB 0.936 42.582 42.059 -0.688 0.000 1.184 154 L HN 0.624 nan 8.230 nan 0.000 0.429 155 c N 3.268 121.889 118.600 0.036 0.000 2.251 155 c HA 0.586 5.156 4.570 -0.000 0.000 0.323 155 c C 1.230 175.421 174.090 0.169 0.000 1.241 155 c CA -0.910 55.472 56.329 0.087 0.000 1.601 155 c CB 0.133 42.677 42.510 0.057 0.000 2.251 155 c HN 0.965 nan 8.230 nan 0.000 0.488 170 V N 1.254 121.113 119.914 -0.093 0.000 3.036 170 V HA 0.986 5.106 4.120 -0.000 0.000 0.308 170 V C 0.287 176.347 176.094 -0.058 0.000 1.070 170 V CA 0.407 62.652 62.300 -0.091 0.000 1.056 170 V CB 0.928 32.605 31.823 -0.245 0.000 1.084 170 V HN 0.845 nan 8.190 nan 0.000 0.471 171 G N -0.510 108.340 108.800 0.083 0.000 2.684 171 G HA2 0.874 4.834 3.960 -0.000 0.000 0.290 171 G HA3 0.874 4.834 3.960 -0.000 0.000 0.290 171 G C -0.554 174.457 174.900 0.184 0.000 1.425 171 G CA -0.215 44.935 45.100 0.083 0.000 0.822 171 G HN 1.655 nan 8.290 nan 0.000 0.482 172 G N -1.245 107.607 108.800 0.085 0.000 2.340 172 G HA2 0.606 4.565 3.960 -0.000 0.000 0.299 172 G HA3 0.606 4.565 3.960 -0.000 0.000 0.299 172 G C -1.391 173.508 174.900 -0.002 0.000 1.291 172 G CA -0.054 45.059 45.100 0.023 0.000 0.841 172 G HN 1.215 nan 8.290 nan 0.000 0.500 173 S N -0.214 115.484 115.700 -0.004 0.000 2.557 173 S HA 0.624 5.094 4.470 -0.000 0.000 0.291 173 S C -0.525 174.095 174.600 0.032 0.000 1.116 173 S CA -0.474 57.740 58.200 0.024 0.000 0.992 173 S CB 1.635 64.867 63.200 0.053 0.000 1.028 173 S HN 0.746 nan 8.310 nan 0.000 0.484 174 M N 4.870 124.486 119.600 0.027 0.000 2.044 174 M HA 0.471 4.950 4.480 -0.000 0.000 0.333 174 M C -1.534 174.798 176.300 0.053 0.000 1.004 174 M CA -0.672 54.649 55.300 0.036 0.000 0.954 174 M CB 0.170 32.761 32.600 -0.015 0.000 1.468 174 M HN 0.446 nan 8.290 nan 0.000 0.414 175 I N 6.873 127.477 120.570 0.058 0.000 2.281 175 I HA 0.226 4.396 4.170 -0.000 0.000 0.293 175 I C -0.026 176.081 176.117 -0.017 0.000 1.085 175 I CA -0.357 60.916 61.300 -0.043 0.000 1.257 175 I CB -0.222 37.692 38.000 -0.144 0.000 1.430 175 I HN 0.610 nan 8.210 nan 0.000 0.489 176 I N 5.111 125.699 120.570 0.031 0.000 2.371 176 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 176 I C 1.348 177.518 176.117 0.089 0.000 1.028 176 I CA 0.231 61.627 61.300 0.160 0.000 1.345 176 I CB 0.690 38.792 38.000 0.170 0.000 1.407 176 I HN 0.870 nan 8.210 nan 0.000 0.501 177 G N 4.315 113.234 108.800 0.199 0.000 2.157 177 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.248 177 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.248 177 G C 0.389 175.312 174.900 0.039 0.000 0.979 177 G CA 0.066 45.260 45.100 0.157 0.000 0.650 177 G HN 1.266 nan 8.290 nan 0.000 0.529 178 G N -1.330 107.367 108.800 -0.172 0.000 2.348 178 G HA2 0.601 4.561 3.960 -0.000 0.000 0.296 178 G HA3 0.601 4.561 3.960 -0.000 0.000 0.296 178 G C -1.585 173.125 174.900 -0.316 0.000 1.258 178 G CA -0.271 44.671 45.100 -0.264 0.000 0.868 178 G HN 0.828 nan 8.290 nan 0.000 0.488 179 I N 0.581 121.035 120.570 -0.194 0.000 2.582 179 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 179 I C -1.619 174.471 176.117 -0.045 0.000 1.066 179 I CA -0.686 60.627 61.300 0.021 0.000 1.053 179 I CB 2.534 40.642 38.000 0.180 0.000 1.241 179 I HN 0.393 nan 8.210 nan 0.000 0.421 180 D N 4.190 124.594 120.400 0.007 0.000 2.440 180 D HA 0.266 4.906 4.640 -0.000 0.000 0.239 180 D C 0.710 176.872 176.300 -0.229 0.000 1.084 180 D CA -0.292 53.650 54.000 -0.096 0.000 0.843 180 D CB 0.911 41.739 40.800 0.048 0.000 1.097 180 D HN 0.450 nan 8.370 nan 0.000 0.531 181 H N 1.648 120.714 119.070 -0.006 0.000 2.524 181 H HA -0.049 4.507 4.556 -0.000 0.000 0.282 181 H C 1.669 176.720 175.328 -0.462 0.000 1.016 181 H CA 0.950 56.816 56.048 -0.302 0.000 1.270 181 H CB -0.012 29.627 29.762 -0.205 0.000 1.394 181 H HN 0.384 nan 8.280 nan 0.000 0.568 182 S N 0.604 116.199 115.700 -0.176 0.000 2.603 182 S HA 0.024 4.494 4.470 -0.000 0.000 0.229 182 S C 1.733 176.211 174.600 -0.202 0.000 0.972 182 S CA 0.146 58.246 58.200 -0.166 0.000 0.935 182 S CB -0.477 62.672 63.200 -0.085 0.000 0.769 182 S HN 0.294 nan 8.310 nan 0.000 0.536 183 L N 0.086 121.126 121.223 -0.306 0.000 2.585 183 L HA 0.369 4.709 4.340 -0.000 0.000 0.226 183 L C 0.206 176.948 176.870 -0.214 0.000 1.113 183 L CA -0.313 54.337 54.840 -0.316 0.000 0.876 183 L CB -0.129 41.614 42.059 -0.527 0.000 1.072 183 L HN 0.580 nan 8.230 nan 0.000 0.468 184 Y N -2.204 117.939 120.300 -0.261 0.000 2.588 184 Y HA 0.658 5.208 4.550 -0.000 0.000 0.343 184 Y C -0.306 175.584 175.900 -0.016 0.000 1.065 184 Y CA -1.469 56.577 58.100 -0.090 0.000 1.038 184 Y CB 0.938 39.388 38.460 -0.016 0.000 1.297 184 Y HN -0.079 nan 8.280 nan 0.000 0.467 185 T N -0.369 114.272 114.554 0.146 0.000 2.940 185 T HA 0.797 5.147 4.350 -0.000 0.000 0.288 185 T C 0.487 175.324 174.700 0.229 0.000 1.033 185 T CA -0.086 62.063 62.100 0.083 0.000 1.033 185 T CB 1.030 69.935 68.868 0.063 0.000 1.079 185 T HN 2.279 nan 8.240 nan 0.000 0.496 186 G N 1.162 110.055 108.800 0.156 0.000 2.593 186 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.237 186 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.237 186 G C -0.048 175.003 174.900 0.253 0.000 1.312 186 G CA -0.107 45.103 45.100 0.183 0.000 0.896 186 G HN 1.514 nan 8.290 nan 0.000 0.574 187 S N -1.170 114.647 115.700 0.194 0.000 2.593 187 S HA 0.703 5.173 4.470 -0.000 0.000 0.297 187 S C 0.428 174.993 174.600 -0.059 0.000 1.112 187 S CA -0.582 57.652 58.200 0.058 0.000 1.043 187 S CB 0.876 63.995 63.200 -0.135 0.000 1.054 187 S HN 0.796 nan 8.310 nan 0.000 0.516 188 L N 3.420 124.470 121.223 -0.288 0.000 2.410 188 L HA 0.298 4.637 4.340 -0.000 0.000 0.273 188 L C -0.920 175.508 176.870 -0.736 0.000 1.152 188 L CA -0.088 54.428 54.840 -0.540 0.000 0.855 188 L CB 0.417 42.060 42.059 -0.693 0.000 1.129 188 L HN 0.686 nan 8.230 nan 0.000 0.463 189 W N 2.725 123.578 121.300 -0.746 0.000 2.587 189 W HA 0.449 5.109 4.660 -0.000 0.000 0.324 189 W C -0.801 175.105 176.519 -1.022 0.000 1.040 189 W CA -0.275 56.494 57.345 -0.961 0.000 1.222 189 W CB 1.100 29.695 29.460 -1.441 0.000 1.381 189 W HN 0.194 nan 8.180 nan 0.000 0.483 190 Y N 1.580 121.720 120.300 -0.266 0.000 2.352 190 Y HA 0.507 5.056 4.550 -0.000 0.000 0.339 190 Y C 0.567 176.650 175.900 0.305 0.000 0.992 190 Y CA -0.788 57.310 58.100 -0.004 0.000 1.100 190 Y CB 2.130 40.565 38.460 -0.041 0.000 1.192 190 Y HN 0.151 nan 8.280 nan 0.000 0.458 191 T N 5.050 119.933 114.554 0.549 0.000 2.855 191 T HA 0.494 4.844 4.350 -0.000 0.000 0.281 191 T C -2.832 172.045 174.700 0.295 0.000 1.007 191 T CA -2.653 59.725 62.100 0.464 0.000 1.009 191 T CB 0.979 70.090 68.868 0.405 0.000 0.983 191 T HN 0.247 nan 8.240 nan 0.000 0.455 192 P HA 0.298 nan 4.420 nan 0.000 0.271 192 P C -0.486 176.920 177.300 0.178 0.000 1.216 192 P CA -0.268 62.933 63.100 0.169 0.000 0.776 192 P CB 0.275 32.056 31.700 0.135 0.000 0.881 193 I N 3.420 124.096 120.570 0.176 0.000 2.436 193 I HA 0.105 4.275 4.170 -0.000 0.000 0.289 193 I C 2.010 178.223 176.117 0.160 0.000 1.083 193 I CA 0.087 61.512 61.300 0.209 0.000 1.372 193 I CB 0.394 38.541 38.000 0.246 0.000 1.408 193 I HN 0.431 nan 8.210 nan 0.000 0.516 194 R N 5.575 126.184 120.500 0.182 0.000 2.075 194 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 194 R C 0.748 177.114 176.300 0.109 0.000 1.126 194 R CA 1.176 57.364 56.100 0.147 0.000 0.963 194 R CB 0.337 30.742 30.300 0.175 0.000 0.858 194 R HN 0.560 nan 8.270 nan 0.000 0.435 195 R N 0.246 120.845 120.500 0.164 0.000 2.604 195 R HA 0.106 4.446 4.340 -0.000 0.000 0.270 195 R C -1.522 174.849 176.300 0.118 0.000 1.052 195 R CA -0.446 55.687 56.100 0.055 0.000 0.902 195 R CB 1.794 32.028 30.300 -0.110 0.000 1.233 195 R HN 0.111 nan 8.270 nan 0.000 0.455 196 E N 4.323 124.416 120.200 -0.178 0.000 1.802 196 E HA 0.051 4.401 4.350 -0.000 0.000 0.265 196 E C 0.030 176.504 176.600 -0.209 0.000 1.168 196 E CA 0.047 56.050 56.400 -0.661 0.000 1.033 196 E CB 0.222 29.258 29.700 -1.108 0.000 1.095 196 E HN 0.439 nan 8.360 nan 0.000 0.436 197 W N 1.603 122.813 121.300 -0.150 0.000 4.559 197 W HA 0.177 4.837 4.660 -0.000 0.000 0.172 197 W C -0.222 176.289 176.519 -0.013 0.000 3.305 197 W CA -0.267 57.058 57.345 -0.033 0.000 1.529 197 W CB -0.626 28.803 29.460 -0.050 0.000 1.951 197 W HN 0.027 nan 8.180 nan 0.000 0.514 198 Y N 0.687 120.753 120.300 -0.391 0.000 2.260 198 Y HA 0.256 4.806 4.550 -0.000 0.000 0.339 198 Y C -0.020 175.829 175.900 -0.085 0.000 1.317 198 Y CA -0.321 57.595 58.100 -0.307 0.000 1.514 198 Y CB -0.032 38.134 38.460 -0.489 0.000 1.382 198 Y HN -0.158 nan 8.280 nan 0.000 0.581 199 Y N 0.877 121.385 120.300 0.347 0.000 2.568 199 Y HA 0.094 4.644 4.550 -0.000 0.000 0.338 199 Y C 0.393 176.448 175.900 0.257 0.000 1.245 199 Y CA -0.215 58.098 58.100 0.354 0.000 1.667 199 Y CB -0.324 38.373 38.460 0.395 0.000 1.568 199 Y HN 0.404 nan 8.280 nan 0.000 0.471 200 E N 3.147 123.560 120.200 0.355 0.000 2.200 200 E HA 0.459 4.809 4.350 -0.000 0.000 0.283 200 E C -0.804 175.954 176.600 0.263 0.000 1.015 200 E CA -0.560 56.014 56.400 0.290 0.000 0.819 200 E CB 0.912 30.861 29.700 0.414 0.000 1.081 200 E HN 0.445 nan 8.360 nan 0.000 0.397 201 V N 1.600 121.636 119.914 0.203 0.000 3.155 201 V HA 0.641 4.761 4.120 -0.000 0.000 0.313 201 V C -0.407 175.765 176.094 0.129 0.000 1.162 201 V CA -0.986 61.414 62.300 0.168 0.000 1.048 201 V CB 1.698 33.614 31.823 0.156 0.000 1.092 201 V HN 0.583 nan 8.190 nan 0.000 0.447 202 I N 1.669 122.297 120.570 0.096 0.000 2.418 202 I HA 0.485 4.655 4.170 -0.000 0.000 0.287 202 I C -0.689 175.442 176.117 0.024 0.000 1.008 202 I CA -0.409 60.938 61.300 0.080 0.000 1.104 202 I CB 1.765 39.819 38.000 0.090 0.000 1.264 202 I HN 0.500 nan 8.210 nan 0.000 0.438 203 I N 6.634 127.225 120.570 0.034 0.000 2.365 203 I HA 0.134 4.304 4.170 -0.000 0.000 0.291 203 I C 1.061 177.226 176.117 0.079 0.000 1.004 203 I CA -0.185 61.108 61.300 -0.011 0.000 1.311 203 I CB 1.579 39.557 38.000 -0.037 0.000 1.401 203 I HN 0.504 nan 8.210 nan 0.000 0.491 204 V N 2.465 122.391 119.914 0.020 0.000 3.604 204 V HA 0.445 4.565 4.120 -0.000 0.000 0.277 204 V C 0.447 176.572 176.094 0.052 0.000 1.399 204 V CA -0.066 62.273 62.300 0.065 0.000 1.034 204 V CB 0.085 31.911 31.823 0.006 0.000 0.824 204 V HN 0.840 nan 8.190 nan 0.000 0.439 205 R N -0.260 120.192 120.500 -0.080 0.000 2.634 205 R HA 0.695 5.035 4.340 -0.000 0.000 0.263 205 R C -2.418 173.684 176.300 -0.330 0.000 1.060 205 R CA -0.327 55.641 56.100 -0.221 0.000 0.898 205 R CB 2.733 32.696 30.300 -0.562 0.000 1.253 205 R HN 0.088 nan 8.270 nan 0.000 0.461 206 V N 2.632 122.283 119.914 -0.439 0.000 2.638 206 V HA 0.468 4.587 4.120 -0.000 0.000 0.306 206 V C -0.775 175.222 176.094 -0.161 0.000 1.052 206 V CA -0.763 61.321 62.300 -0.360 0.000 0.885 206 V CB 1.970 33.423 31.823 -0.617 0.000 0.999 206 V HN 0.769 nan 8.190 nan 0.000 0.424 207 E N 4.088 124.251 120.200 -0.061 0.000 2.222 207 E HA 0.583 4.933 4.350 -0.000 0.000 0.267 207 E C -1.355 175.230 176.600 -0.025 0.000 0.884 207 E CA -0.784 55.603 56.400 -0.022 0.000 0.764 207 E CB 2.434 32.162 29.700 0.047 0.000 1.169 207 E HN 0.443 nan 8.360 nan 0.000 0.413 208 I N 3.713 124.275 120.570 -0.013 0.000 2.328 208 I HA 0.173 4.343 4.170 -0.000 0.000 0.287 208 I C 0.715 176.851 176.117 0.032 0.000 1.012 208 I CA -0.152 61.152 61.300 0.008 0.000 1.195 208 I CB 0.631 38.633 38.000 0.002 0.000 1.350 208 I HN 0.692 nan 8.210 nan 0.000 0.464 209 N N 5.235 123.967 118.700 0.054 0.000 2.292 209 N HA -0.203 4.537 4.740 -0.000 0.000 0.219 209 N C 0.988 176.524 175.510 0.043 0.000 1.011 209 N CA 2.362 55.449 53.050 0.062 0.000 2.776 209 N CB -0.861 37.666 38.487 0.066 0.000 0.819 209 N HN 0.944 nan 8.380 nan 0.000 0.457 210 G N -1.109 107.710 108.800 0.031 0.000 4.665 210 G HA2 0.127 4.086 3.960 -0.000 0.000 0.219 210 G HA3 0.127 4.086 3.960 -0.000 0.000 0.219 210 G C -0.599 174.311 174.900 0.016 0.000 0.664 210 G CA -0.037 45.081 45.100 0.028 0.000 0.907 210 G HN 0.296 nan 8.290 nan 0.000 0.689 211 Q N 1.047 120.851 119.800 0.007 0.000 2.316 211 Q HA 0.440 4.780 4.340 -0.000 0.000 0.264 211 Q C -1.330 174.658 176.000 -0.020 0.000 0.987 211 Q CA -0.811 54.987 55.803 -0.007 0.000 0.852 211 Q CB 2.280 31.015 28.738 -0.004 0.000 1.287 211 Q HN 0.153 nan 8.270 nan 0.000 0.448 212 D N 1.653 122.032 120.400 -0.035 0.000 2.424 212 D HA -0.019 4.621 4.640 -0.000 0.000 0.244 212 D C 0.426 176.717 176.300 -0.015 0.000 1.134 212 D CA -0.021 53.952 54.000 -0.045 0.000 0.881 212 D CB 1.073 41.833 40.800 -0.067 0.000 1.191 212 D HN 0.394 nan 8.370 nan 0.000 0.445 213 L N 3.232 124.461 121.223 0.010 0.000 2.456 213 L HA -0.003 4.336 4.340 -0.000 0.000 0.224 213 L C 1.029 177.933 176.870 0.056 0.000 1.148 213 L CA 0.884 55.753 54.840 0.048 0.000 0.825 213 L CB -0.679 41.450 42.059 0.116 0.000 0.937 213 L HN 0.601 nan 8.230 nan 0.000 0.450 214 K N 0.239 120.668 120.400 0.049 0.000 3.451 214 K HA -0.227 4.093 4.320 -0.000 0.000 0.273 214 K C -0.269 176.335 176.600 0.006 0.000 0.944 214 K CA 0.684 56.982 56.287 0.018 0.000 0.734 214 K CB -1.613 30.882 32.500 -0.008 0.000 1.437 214 K HN 0.361 nan 8.250 nan 0.000 0.454 215 M N 0.353 119.965 119.600 0.021 0.000 2.508 215 M HA 0.169 4.648 4.480 -0.000 0.000 0.327 215 M C 0.274 176.428 176.300 -0.243 0.000 1.160 215 M CA -0.966 54.258 55.300 -0.127 0.000 0.980 215 M CB 1.297 33.776 32.600 -0.202 0.000 1.693 215 M HN -0.004 nan 8.290 nan 0.000 0.452 216 D N 1.558 121.818 120.400 -0.233 0.000 2.520 216 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 216 D C 1.134 177.193 176.300 -0.403 0.000 1.160 216 D CA -0.125 53.739 54.000 -0.227 0.000 0.877 216 D CB 0.864 41.566 40.800 -0.164 0.000 1.150 216 D HN 0.798 nan 8.370 nan 0.000 0.494 217 c N 3.553 121.970 118.600 -0.304 0.000 2.437 217 c HA 0.044 4.614 4.570 -0.000 0.000 0.283 217 c C 2.200 176.166 174.090 -0.207 0.000 1.424 217 c CA -0.140 55.992 56.329 -0.328 0.000 1.782 217 c CB -0.801 41.716 42.510 0.013 0.000 1.833 217 c HN 0.676 nan 8.230 nan 0.000 0.532 218 K N 1.746 122.065 120.400 -0.135 0.000 2.211 218 K HA -0.198 4.122 4.320 -0.000 0.000 0.204 218 K C 2.348 178.945 176.600 -0.005 0.000 1.047 218 K CA 2.008 58.290 56.287 -0.008 0.000 0.935 218 K CB -0.124 32.385 32.500 0.015 0.000 0.728 218 K HN 0.897 nan 8.250 nan 0.000 0.452 219 E N -1.199 118.897 120.200 -0.173 0.000 2.385 219 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 219 E C 1.153 177.749 176.600 -0.007 0.000 1.013 219 E CA 0.307 56.638 56.400 -0.116 0.000 0.866 219 E CB -0.243 29.338 29.700 -0.198 0.000 0.832 219 E HN 0.449 nan 8.360 nan 0.000 0.500 220 Y N 1.530 121.858 120.300 0.048 0.000 2.403 220 Y HA -0.019 4.531 4.550 -0.000 0.000 0.291 220 Y C 1.165 177.093 175.900 0.048 0.000 1.143 220 Y CA 0.358 58.479 58.100 0.035 0.000 1.257 220 Y CB 0.099 38.563 38.460 0.007 0.000 0.984 220 Y HN 0.130 nan 8.280 nan 0.000 0.550 221 N N -0.965 117.855 118.700 0.200 0.000 2.338 221 N HA -0.032 4.708 4.740 -0.000 0.000 0.251 221 N C -0.870 174.731 175.510 0.153 0.000 1.199 221 N CA -0.158 52.990 53.050 0.164 0.000 0.879 221 N CB 0.092 38.685 38.487 0.176 0.000 1.159 221 N HN 0.172 nan 8.380 nan 0.000 0.514 222 Y N 2.957 123.225 120.300 -0.054 0.000 2.537 222 Y HA 0.078 4.628 4.550 -0.000 0.000 0.339 222 Y C 1.088 176.825 175.900 -0.270 0.000 1.066 222 Y CA 0.278 58.229 58.100 -0.248 0.000 1.357 222 Y CB -0.068 38.246 38.460 -0.243 0.000 1.175 222 Y HN 0.167 nan 8.280 nan 0.000 0.525 223 D N 2.352 122.376 120.400 -0.626 0.000 4.107 223 D HA -0.226 4.414 4.640 -0.000 0.000 0.191 223 D C -0.758 175.563 176.300 0.035 0.000 0.972 223 D CA 2.225 56.022 54.000 -0.337 0.000 2.275 223 D CB -1.024 39.547 40.800 -0.383 0.000 1.156 223 D HN 0.761 nan 8.370 nan 0.000 0.442 224 K N -1.012 119.391 120.400 0.005 0.000 2.672 224 K HA 0.701 5.021 4.320 -0.000 0.000 0.295 224 K C -1.593 175.023 176.600 0.026 0.000 1.042 224 K CA -0.806 55.533 56.287 0.087 0.000 0.869 224 K CB 1.362 33.921 32.500 0.098 0.000 1.541 224 K HN 0.094 nan 8.250 nan 0.000 0.396 225 S N 0.588 116.321 115.700 0.055 0.000 2.538 225 S HA 0.709 5.179 4.470 -0.000 0.000 0.288 225 S C -0.726 173.892 174.600 0.029 0.000 1.108 225 S CA -0.842 57.375 58.200 0.028 0.000 0.971 225 S CB 0.766 64.000 63.200 0.057 0.000 1.041 225 S HN 0.602 nan 8.310 nan 0.000 0.483 226 I N -1.043 119.526 120.570 -0.002 0.000 2.969 226 I HA 0.801 4.971 4.170 -0.000 0.000 0.307 226 I C -1.438 174.741 176.117 0.103 0.000 1.149 226 I CA -1.261 60.063 61.300 0.041 0.000 1.008 226 I CB 1.927 39.865 38.000 -0.103 0.000 1.232 226 I HN 0.291 nan 8.210 nan 0.000 0.435 227 V N 2.797 122.835 119.914 0.207 0.000 2.328 227 V HA 0.445 4.565 4.120 -0.000 0.000 0.278 227 V C -1.013 175.243 176.094 0.269 0.000 1.021 227 V CA 0.076 62.516 62.300 0.233 0.000 0.838 227 V CB 0.845 32.806 31.823 0.230 0.000 0.999 227 V HN 0.766 nan 8.190 nan 0.000 0.447 228 D N 2.977 123.486 120.400 0.181 0.000 2.402 228 D HA 0.221 4.861 4.640 -0.000 0.000 0.252 228 D C 1.024 177.385 176.300 0.101 0.000 1.294 228 D CA -0.089 53.996 54.000 0.142 0.000 0.948 228 D CB 1.906 42.763 40.800 0.096 0.000 1.202 228 D HN 0.451 nan 8.370 nan 0.000 0.561 229 S N 1.290 117.038 115.700 0.081 0.000 2.515 229 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 229 S C 1.834 176.460 174.600 0.042 0.000 0.987 229 S CA 0.586 58.816 58.200 0.050 0.000 0.936 229 S CB 0.135 63.331 63.200 -0.006 0.000 0.766 229 S HN 0.404 nan 8.310 nan 0.000 0.528 230 G N 0.621 109.435 108.800 0.023 0.000 2.623 230 G HA2 0.192 4.152 3.960 -0.000 0.000 0.214 230 G HA3 0.192 4.152 3.960 -0.000 0.000 0.214 230 G C 0.347 175.241 174.900 -0.010 0.000 1.138 230 G CA 0.198 45.290 45.100 -0.014 0.000 0.794 230 G HN 0.498 nan 8.290 nan 0.000 0.535 231 T N 0.331 114.895 114.554 0.017 0.000 2.867 231 T HA 0.398 4.748 4.350 -0.000 0.000 0.282 231 T C 1.279 175.997 174.700 0.029 0.000 1.000 231 T CA -0.309 61.797 62.100 0.009 0.000 1.042 231 T CB 1.948 70.820 68.868 0.005 0.000 0.973 231 T HN -0.044 nan 8.240 nan 0.000 0.465 232 T N 2.807 117.372 114.554 0.018 0.000 2.735 232 T HA 0.015 4.365 4.350 -0.000 0.000 0.256 232 T C 1.104 175.821 174.700 0.028 0.000 1.042 232 T CA 0.691 62.811 62.100 0.033 0.000 1.147 232 T CB -0.105 68.774 68.868 0.019 0.000 0.865 232 T HN 0.392 nan 8.240 nan 0.000 0.421 233 N N 1.182 119.882 118.700 -0.001 0.000 2.381 233 N HA 0.232 4.972 4.740 -0.000 0.000 0.254 233 N C -0.635 174.869 175.510 -0.010 0.000 1.264 233 N CA -0.389 52.648 53.050 -0.021 0.000 0.942 233 N CB 0.203 38.654 38.487 -0.060 0.000 1.190 233 N HN 0.166 nan 8.380 nan 0.000 0.495 234 L N 1.694 122.905 121.223 -0.020 0.000 2.315 234 L HA 0.256 4.595 4.340 -0.000 0.000 0.283 234 L C -0.224 176.625 176.870 -0.035 0.000 1.089 234 L CA -0.132 54.699 54.840 -0.015 0.000 0.833 234 L CB 0.042 42.092 42.059 -0.015 0.000 1.170 234 L HN 0.359 nan 8.230 nan 0.000 0.442 235 R N 5.721 126.204 120.500 -0.028 0.000 2.514 235 R HA 0.685 5.025 4.340 -0.000 0.000 0.301 235 R C -1.210 175.085 176.300 -0.007 0.000 0.962 235 R CA -0.696 55.379 56.100 -0.043 0.000 0.882 235 R CB 1.993 32.253 30.300 -0.066 0.000 1.143 235 R HN 0.585 nan 8.270 nan 0.000 0.452 236 L N 3.469 124.708 121.223 0.026 0.000 2.381 236 L HA 0.534 4.874 4.340 -0.000 0.000 0.268 236 L C -2.346 174.577 176.870 0.088 0.000 0.997 236 L CA -2.737 52.159 54.840 0.092 0.000 0.818 236 L CB 2.202 44.379 42.059 0.196 0.000 1.310 236 L HN 0.296 nan 8.230 nan 0.000 0.416 237 P HA -0.010 nan 4.420 nan 0.000 0.267 237 P C 0.205 177.596 177.300 0.153 0.000 1.201 237 P CA -0.081 63.078 63.100 0.099 0.000 0.775 237 P CB 0.764 32.549 31.700 0.142 0.000 0.854 238 K N 2.501 122.979 120.400 0.131 0.000 2.001 238 K HA -0.241 4.079 4.320 -0.000 0.000 0.214 238 K C 1.616 178.329 176.600 0.188 0.000 1.050 238 K CA 1.965 58.346 56.287 0.155 0.000 0.934 238 K CB -0.185 32.382 32.500 0.112 0.000 0.718 238 K HN 0.257 nan 8.250 nan 0.000 0.443 239 K N -0.030 120.453 120.400 0.139 0.000 2.103 239 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 239 K C 1.993 178.658 176.600 0.109 0.000 1.048 239 K CA 1.580 57.924 56.287 0.095 0.000 0.930 239 K CB -0.043 32.479 32.500 0.037 0.000 0.716 239 K HN 0.019 nan 8.250 nan 0.000 0.444 240 V N 0.917 120.922 119.914 0.152 0.000 2.270 240 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 240 V C 1.943 178.138 176.094 0.169 0.000 1.043 240 V CA 1.704 64.114 62.300 0.184 0.000 1.014 240 V CB -0.594 31.382 31.823 0.256 0.000 0.645 240 V HN 0.219 nan 8.190 nan 0.000 0.447 241 F N 1.292 121.285 119.950 0.072 0.000 2.087 241 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 241 F C 2.485 178.324 175.800 0.066 0.000 1.100 241 F CA 2.456 60.498 58.000 0.071 0.000 1.226 241 F CB -0.367 38.677 39.000 0.074 0.000 0.983 241 F HN 0.247 nan 8.300 nan 0.000 0.479 242 E N 0.064 120.298 120.200 0.056 0.000 2.033 242 E HA -0.297 4.053 4.350 -0.000 0.000 0.199 242 E C 2.309 178.827 176.600 -0.137 0.000 1.011 242 E CA 1.437 57.806 56.400 -0.051 0.000 0.815 242 E CB -0.493 29.244 29.700 0.062 0.000 0.755 242 E HN 0.497 nan 8.360 nan 0.000 0.451 243 A N 0.986 123.770 122.820 -0.061 0.000 1.902 243 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 243 A C 2.383 179.904 177.584 -0.104 0.000 1.181 243 A CA 2.005 54.006 52.037 -0.060 0.000 0.623 243 A CB -0.853 18.148 19.000 0.003 0.000 0.818 243 A HN 0.437 nan 8.150 nan 0.000 0.443 244 A N -0.621 122.132 122.820 -0.112 0.000 1.865 244 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 244 A C 2.267 179.725 177.584 -0.210 0.000 1.191 244 A CA 1.918 53.878 52.037 -0.128 0.000 0.623 244 A CB -1.069 17.878 19.000 -0.089 0.000 0.826 244 A HN 0.403 nan 8.150 nan 0.000 0.444 245 V N -0.154 119.527 119.914 -0.389 0.000 2.295 245 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 245 V C 3.078 178.875 176.094 -0.495 0.000 1.049 245 V CA 1.967 63.967 62.300 -0.501 0.000 1.024 245 V CB -1.196 30.184 31.823 -0.738 0.000 0.648 245 V HN 0.636 nan 8.190 nan 0.000 0.447 246 A N -1.003 121.597 122.820 -0.366 0.000 1.986 246 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 246 A C 2.534 179.987 177.584 -0.219 0.000 1.171 246 A CA 2.475 54.343 52.037 -0.281 0.000 0.640 246 A CB -0.656 18.235 19.000 -0.182 0.000 0.811 246 A HN 0.504 nan 8.150 nan 0.000 0.451 247 S N -0.945 114.651 115.700 -0.172 0.000 2.406 247 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 247 S C 1.802 176.359 174.600 -0.072 0.000 1.030 247 S CA 0.863 59.002 58.200 -0.102 0.000 0.958 247 S CB -0.441 62.718 63.200 -0.068 0.000 0.811 247 S HN 0.491 nan 8.310 nan 0.000 0.489 248 I N 1.092 121.612 120.570 -0.083 0.000 2.439 248 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 248 I C 2.551 178.678 176.117 0.016 0.000 1.139 248 I CA 0.907 62.234 61.300 0.044 0.000 1.438 248 I CB -0.230 37.865 38.000 0.159 0.000 1.085 248 I HN 0.226 nan 8.210 nan 0.000 0.427 249 K N 1.233 121.486 120.400 -0.245 0.000 1.991 249 K HA -0.199 4.120 4.320 -0.000 0.000 0.212 249 K C 2.299 178.854 176.600 -0.075 0.000 1.049 249 K CA 1.749 57.888 56.287 -0.247 0.000 0.932 249 K CB -0.257 31.974 32.500 -0.448 0.000 0.717 249 K HN 0.299 nan 8.250 nan 0.000 0.441 250 A N 0.865 123.630 122.820 -0.091 0.000 1.978 250 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 250 A C 2.186 179.758 177.584 -0.021 0.000 1.170 250 A CA 2.042 54.047 52.037 -0.053 0.000 0.636 250 A CB -0.656 18.310 19.000 -0.057 0.000 0.810 250 A HN 0.458 nan 8.150 nan 0.000 0.448 251 A N -0.531 122.291 122.820 0.004 0.000 2.119 251 A HA 0.167 4.486 4.320 -0.000 0.000 0.217 251 A C 1.740 179.332 177.584 0.014 0.000 1.153 251 A CA 1.668 53.721 52.037 0.028 0.000 0.692 251 A CB -0.346 18.697 19.000 0.071 0.000 0.799 251 A HN 1.119 nan 8.150 nan 0.000 0.458 252 S N -1.224 114.484 115.700 0.014 0.000 3.021 252 S HA 0.100 4.569 4.470 -0.000 0.000 0.252 252 S C 0.757 175.336 174.600 -0.035 0.000 0.996 252 S CA 0.447 58.614 58.200 -0.054 0.000 1.084 252 S CB -0.615 62.507 63.200 -0.130 0.000 1.021 252 S HN 0.682 nan 8.310 nan 0.000 0.566 253 S N 0.694 116.377 115.700 -0.028 0.000 2.805 253 S HA -0.030 4.440 4.470 -0.000 0.000 0.230 253 S C 1.226 175.772 174.600 -0.090 0.000 0.968 253 S CA 0.608 58.780 58.200 -0.046 0.000 0.976 253 S CB -1.101 62.074 63.200 -0.041 0.000 0.787 253 S HN 0.492 nan 8.310 nan 0.000 0.533 254 T N 1.562 116.052 114.554 -0.106 0.000 2.915 254 T HA 0.045 4.395 4.350 -0.000 0.000 0.269 254 T C 0.665 175.269 174.700 -0.159 0.000 1.071 254 T CA 1.034 63.067 62.100 -0.112 0.000 1.132 254 T CB -0.047 68.759 68.868 -0.103 0.000 0.878 254 T HN 0.647 nan 8.240 nan 0.000 0.479 258 P HA 0.174 nan 4.420 nan 0.000 0.270 258 P C 0.051 177.563 177.300 0.354 0.000 1.223 258 P CA -0.153 63.082 63.100 0.226 0.000 0.785 258 P CB 0.724 32.509 31.700 0.142 0.000 0.923 259 D N 1.009 121.601 120.400 0.319 0.000 2.218 259 D HA -0.091 4.549 4.640 -0.000 0.000 0.204 259 D C 1.956 178.477 176.300 0.367 0.000 0.976 259 D CA 1.520 55.751 54.000 0.385 0.000 0.853 259 D CB -0.362 40.580 40.800 0.236 0.000 0.939 259 D HN 0.603 nan 8.370 nan 0.000 0.481 260 G N 0.327 109.280 108.800 0.255 0.000 2.448 260 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 260 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 260 G C 1.400 176.411 174.900 0.185 0.000 1.135 260 G CA 0.015 45.233 45.100 0.197 0.000 0.784 260 G HN 0.239 nan 8.290 nan 0.000 0.543 261 F N 0.713 120.653 119.950 -0.018 0.000 2.126 261 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 261 F C 2.145 177.842 175.800 -0.173 0.000 1.096 261 F CA 1.400 59.276 58.000 -0.205 0.000 1.255 261 F CB -0.256 38.456 39.000 -0.481 0.000 0.997 261 F HN 0.248 nan 8.300 nan 0.000 0.479 262 W N 0.313 121.576 121.300 -0.062 0.000 2.436 262 W HA 0.026 4.686 4.660 -0.000 0.000 0.284 262 W C 1.963 178.649 176.519 0.278 0.000 1.225 262 W CA 0.554 57.837 57.345 -0.102 0.000 1.271 262 W CB -0.652 28.793 29.460 -0.026 0.000 1.114 262 W HN -0.064 nan 8.180 nan 0.000 0.559 263 L N 0.549 122.011 121.223 0.399 0.000 2.599 263 L HA 0.238 4.578 4.340 -0.000 0.000 0.230 263 L C 1.682 178.643 176.870 0.151 0.000 1.141 263 L CA 0.732 55.748 54.840 0.292 0.000 0.877 263 L CB -0.958 41.236 42.059 0.224 0.000 1.009 263 L HN 0.256 nan 8.230 nan 0.000 0.447 264 G N 0.471 109.341 108.800 0.117 0.000 2.198 264 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 264 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 264 G C 0.536 175.463 174.900 0.045 0.000 1.042 264 G CA 0.387 45.516 45.100 0.048 0.000 0.791 264 G HN 0.523 nan 8.290 nan 0.000 0.502 265 E N -0.563 119.676 120.200 0.066 0.000 2.472 265 E HA 0.145 4.495 4.350 -0.000 0.000 0.196 265 E C 1.067 177.704 176.600 0.061 0.000 1.033 265 E CA 0.932 57.370 56.400 0.064 0.000 0.886 265 E CB 0.193 29.941 29.700 0.080 0.000 0.944 265 E HN 0.901 nan 8.360 nan 0.000 0.492 266 Q N -0.188 119.655 119.800 0.072 0.000 2.594 266 Q HA 0.351 4.691 4.340 -0.000 0.000 0.278 266 Q C -1.082 174.984 176.000 0.110 0.000 0.961 266 Q CA -0.669 55.175 55.803 0.070 0.000 0.844 266 Q CB 0.865 29.638 28.738 0.060 0.000 1.475 266 Q HN -0.080 nan 8.270 nan 0.000 0.389 267 L N 0.414 121.679 121.223 0.070 0.000 2.479 267 L HA 0.799 5.139 4.340 -0.000 0.000 0.249 267 L C -0.246 176.610 176.870 -0.024 0.000 1.178 267 L CA -1.120 53.769 54.840 0.081 0.000 0.811 267 L CB 0.978 43.050 42.059 0.022 0.000 1.187 267 L HN 0.466 nan 8.230 nan 0.000 0.480 268 V N -0.783 119.043 119.914 -0.147 0.000 2.971 268 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 268 V C -0.836 174.899 176.094 -0.598 0.000 1.130 268 V CA -0.505 61.457 62.300 -0.563 0.000 0.964 268 V CB 2.235 33.300 31.823 -1.264 0.000 1.029 268 V HN 0.924 nan 8.190 nan 0.000 0.427 269 c N 2.767 120.921 118.600 -0.743 0.000 2.889 269 c HA 0.767 5.337 4.570 -0.000 0.000 0.307 269 c C -0.748 172.935 174.090 -0.679 0.000 1.251 269 c CA -0.913 55.130 56.329 -0.476 0.000 1.593 269 c CB 1.938 44.317 42.510 -0.218 0.000 2.104 269 c HN 0.891 nan 8.230 nan 0.000 0.476 277 W N 1.316 122.554 121.300 -0.103 0.000 2.494 277 W HA 0.051 4.710 4.660 -0.000 0.000 0.286 277 W C 1.630 178.210 176.519 0.102 0.000 1.218 277 W CA 0.652 58.003 57.345 0.010 0.000 1.313 277 W CB -0.452 28.973 29.460 -0.058 0.000 1.105 277 W HN 0.021 nan 8.180 nan 0.000 0.561 278 N N 0.969 119.801 118.700 0.220 0.000 2.453 278 N HA -0.116 4.623 4.740 -0.000 0.000 0.183 278 N C 1.613 177.160 175.510 0.061 0.000 1.041 278 N CA 1.436 54.569 53.050 0.138 0.000 0.900 278 N CB -0.420 38.116 38.487 0.083 0.000 0.961 278 N HN 0.258 nan 8.380 nan 0.000 0.443 279 I N -2.787 117.751 120.570 -0.055 0.000 2.676 279 I HA 0.031 4.200 4.170 -0.000 0.000 0.259 279 I C -0.360 175.644 176.117 -0.189 0.000 1.194 279 I CA 0.525 61.709 61.300 -0.193 0.000 1.473 279 I CB -0.212 37.571 38.000 -0.362 0.000 1.096 279 I HN -0.200 nan 8.210 nan 0.000 0.443 280 F N 4.016 124.070 119.950 0.173 0.000 2.410 280 F HA 0.487 5.014 4.527 -0.000 0.000 0.348 280 F C -2.018 173.932 175.800 0.250 0.000 1.106 280 F CA -2.928 55.230 58.000 0.264 0.000 1.163 280 F CB 0.125 39.298 39.000 0.289 0.000 1.129 280 F HN -0.125 nan 8.300 nan 0.000 0.516 281 P HA 0.198 nan 4.420 nan 0.000 0.277 281 P C -0.581 176.924 177.300 0.342 0.000 1.240 281 P CA -0.341 62.942 63.100 0.304 0.000 0.798 281 P CB 1.458 33.294 31.700 0.227 0.000 0.979 282 V N 0.886 120.932 119.914 0.220 0.000 3.051 282 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 282 V C 0.218 176.398 176.094 0.143 0.000 1.083 282 V CA -0.256 62.159 62.300 0.193 0.000 1.104 282 V CB -0.095 31.792 31.823 0.108 0.000 1.027 282 V HN 0.303 nan 8.190 nan 0.000 0.483 283 I N 2.285 122.924 120.570 0.116 0.000 2.465 283 I HA 0.460 4.630 4.170 -0.000 0.000 0.291 283 I C -0.037 176.063 176.117 -0.029 0.000 1.014 283 I CA -0.194 61.117 61.300 0.018 0.000 1.093 283 I CB 1.967 39.943 38.000 -0.039 0.000 1.267 283 I HN 0.696 nan 8.210 nan 0.000 0.431 284 S N 6.654 122.306 115.700 -0.080 0.000 2.473 284 S HA 0.659 5.129 4.470 -0.000 0.000 0.307 284 S C -0.516 173.961 174.600 -0.205 0.000 1.094 284 S CA -0.583 57.512 58.200 -0.176 0.000 1.070 284 S CB 1.363 64.434 63.200 -0.216 0.000 1.019 284 S HN 0.338 nan 8.310 nan 0.000 0.480 285 L N 3.835 124.871 121.223 -0.312 0.000 2.305 285 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 285 L C -1.299 175.294 176.870 -0.461 0.000 1.013 285 L CA -0.816 53.832 54.840 -0.320 0.000 0.819 285 L CB 0.711 42.572 42.059 -0.330 0.000 1.227 285 L HN 0.587 nan 8.230 nan 0.000 0.417 286 Y N 3.853 123.878 120.300 -0.459 0.000 2.313 286 Y HA 0.533 5.083 4.550 -0.000 0.000 0.332 286 Y C 0.099 175.689 175.900 -0.517 0.000 1.071 286 Y CA -0.474 57.315 58.100 -0.518 0.000 1.169 286 Y CB 0.989 39.186 38.460 -0.439 0.000 1.192 286 Y HN 0.343 nan 8.280 nan 0.000 0.487 287 L N 4.246 125.093 121.223 -0.628 0.000 2.346 287 L HA 0.472 4.812 4.340 -0.000 0.000 0.274 287 L C -0.006 176.630 176.870 -0.391 0.000 1.007 287 L CA -1.128 53.364 54.840 -0.579 0.000 0.818 287 L CB 1.849 43.390 42.059 -0.864 0.000 1.284 287 L HN 0.632 nan 8.230 nan 0.000 0.424 288 M N 1.912 121.438 119.600 -0.123 0.000 2.255 288 M HA 0.111 4.591 4.480 -0.000 0.000 0.356 288 M C 0.514 176.902 176.300 0.147 0.000 1.338 288 M CA 0.607 55.922 55.300 0.025 0.000 0.962 288 M CB 0.489 33.128 32.600 0.065 0.000 1.877 288 M HN 0.776 nan 8.290 nan 0.000 0.463 289 G N 3.577 112.521 108.800 0.241 0.000 2.568 289 G HA2 0.246 4.206 3.960 -0.000 0.000 0.293 289 G HA3 0.246 4.206 3.960 -0.000 0.000 0.293 289 G C -0.008 175.069 174.900 0.295 0.000 1.347 289 G CA -0.405 44.944 45.100 0.416 0.000 1.039 289 G HN 0.882 nan 8.290 nan 0.000 0.523 290 E N -1.699 118.672 120.200 0.285 0.000 2.285 290 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 290 E C 0.302 176.984 176.600 0.136 0.000 0.997 290 E CA 0.229 56.738 56.400 0.182 0.000 0.845 290 E CB 0.376 30.162 29.700 0.143 0.000 0.782 290 E HN 0.056 nan 8.360 nan 0.000 0.491 291 V N 1.667 121.673 119.914 0.153 0.000 2.547 291 V HA 0.094 4.213 4.120 -0.000 0.000 0.299 291 V C 0.208 176.368 176.094 0.110 0.000 1.040 291 V CA -0.763 61.606 62.300 0.116 0.000 0.913 291 V CB 1.827 33.718 31.823 0.113 0.000 0.992 291 V HN 0.048 nan 8.190 nan 0.000 0.449 292 T N 5.161 119.764 114.554 0.082 0.000 2.849 292 T HA -0.020 4.330 4.350 -0.000 0.000 0.289 292 T C 0.916 175.662 174.700 0.077 0.000 1.010 292 T CA 0.720 62.863 62.100 0.070 0.000 1.161 292 T CB -0.408 68.492 68.868 0.052 0.000 0.989 292 T HN 0.851 nan 8.240 nan 0.000 0.523 293 N N 0.421 119.166 118.700 0.076 0.000 2.828 293 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 293 N C -0.094 175.477 175.510 0.102 0.000 1.044 293 N CA 0.998 54.092 53.050 0.075 0.000 0.851 293 N CB -0.568 37.955 38.487 0.059 0.000 1.136 293 N HN 0.788 nan 8.380 nan 0.000 0.572 294 Q N 1.074 120.953 119.800 0.131 0.000 2.316 294 Q HA 0.565 4.905 4.340 -0.000 0.000 0.264 294 Q C -0.309 175.820 176.000 0.215 0.000 0.987 294 Q CA -0.171 55.739 55.803 0.180 0.000 0.852 294 Q CB 1.604 30.463 28.738 0.201 0.000 1.287 294 Q HN 0.321 nan 8.270 nan 0.000 0.448 295 S N 2.928 118.775 115.700 0.245 0.000 2.745 295 S HA 0.891 5.361 4.470 -0.000 0.000 0.306 295 S C -0.616 174.177 174.600 0.322 0.000 1.137 295 S CA -0.654 57.682 58.200 0.226 0.000 0.900 295 S CB 1.299 64.572 63.200 0.121 0.000 1.176 295 S HN 0.583 nan 8.310 nan 0.000 0.520 296 F N -1.344 118.625 119.950 0.032 0.000 2.685 296 F HA 0.889 5.416 4.527 -0.000 0.000 0.315 296 F C -0.876 174.710 175.800 -0.355 0.000 1.126 296 F CA -1.355 56.532 58.000 -0.187 0.000 0.950 296 F CB 1.255 39.938 39.000 -0.528 0.000 1.360 296 F HN 0.930 nan 8.300 nan 0.000 0.469 297 R N 1.835 122.088 120.500 -0.412 0.000 2.750 297 R HA 0.838 5.177 4.340 -0.000 0.000 0.281 297 R C -1.497 174.516 176.300 -0.479 0.000 0.972 297 R CA -0.928 54.700 56.100 -0.786 0.000 0.912 297 R CB 2.329 31.765 30.300 -1.441 0.000 1.187 297 R HN 0.969 nan 8.270 nan 0.000 0.464 298 I N -0.813 119.422 120.570 -0.558 0.000 2.441 298 I HA 0.573 4.743 4.170 -0.000 0.000 0.295 298 I C -1.011 174.966 176.117 -0.232 0.000 0.994 298 I CA -0.691 60.342 61.300 -0.446 0.000 1.144 298 I CB 2.566 40.038 38.000 -0.881 0.000 1.314 298 I HN 0.546 nan 8.210 nan 0.000 0.445 299 T N 7.439 122.009 114.554 0.027 0.000 2.809 299 T HA 0.552 4.901 4.350 -0.000 0.000 0.284 299 T C -0.269 174.537 174.700 0.175 0.000 0.992 299 T CA -0.379 61.750 62.100 0.047 0.000 0.957 299 T CB 1.266 70.131 68.868 -0.006 0.000 0.942 299 T HN 0.664 nan 8.240 nan 0.000 0.439 300 I N 2.196 122.849 120.570 0.139 0.000 2.377 300 I HA 0.626 4.796 4.170 -0.000 0.000 0.293 300 I C -0.630 175.563 176.117 0.126 0.000 0.987 300 I CA -1.047 60.334 61.300 0.136 0.000 1.185 300 I CB 0.823 38.934 38.000 0.185 0.000 1.341 300 I HN 0.467 nan 8.210 nan 0.000 0.455 301 L N 7.101 128.342 121.223 0.030 0.000 2.436 301 L HA 0.380 4.720 4.340 -0.000 0.000 0.265 301 L C -1.227 175.581 176.870 -0.103 0.000 1.168 301 L CA -1.542 53.279 54.840 -0.031 0.000 0.815 301 L CB 0.260 42.227 42.059 -0.153 0.000 1.109 301 L HN 0.516 nan 8.230 nan 0.000 0.462 302 P HA -0.152 nan 4.420 nan 0.000 0.228 302 P C 0.839 177.732 177.300 -0.679 0.000 1.151 302 P CA 0.917 63.574 63.100 -0.737 0.000 0.770 302 P CB 0.242 31.764 31.700 -0.297 0.000 0.786 303 Q N -0.402 118.957 119.800 -0.735 0.000 2.439 303 Q HA -0.141 4.199 4.340 -0.000 0.000 0.211 303 Q C 2.144 177.953 176.000 -0.319 0.000 0.978 303 Q CA 1.366 56.697 55.803 -0.786 0.000 0.897 303 Q CB -0.484 27.745 28.738 -0.848 0.000 0.956 303 Q HN 0.398 nan 8.270 nan 0.000 0.483 304 Q N -1.857 117.800 119.800 -0.238 0.000 2.304 304 Q HA -0.004 4.335 4.340 -0.000 0.000 0.204 304 Q C 0.947 176.954 176.000 0.011 0.000 0.936 304 Q CA 0.614 56.379 55.803 -0.065 0.000 0.878 304 Q CB 0.272 29.012 28.738 0.004 0.000 0.983 304 Q HN 0.673 nan 8.270 nan 0.000 0.516 305 Y N -1.525 118.773 120.300 -0.003 0.000 2.466 305 Y HA 0.408 4.958 4.550 -0.000 0.000 0.272 305 Y C -0.173 175.736 175.900 0.015 0.000 1.169 305 Y CA -0.214 57.867 58.100 -0.032 0.000 1.285 305 Y CB 0.138 38.565 38.460 -0.055 0.000 1.078 305 Y HN -0.179 nan 8.280 nan 0.000 0.523 306 L N 3.001 124.147 121.223 -0.127 0.000 2.356 306 L HA 0.457 4.797 4.340 -0.000 0.000 0.264 306 L C -0.246 176.776 176.870 0.252 0.000 1.029 306 L CA -0.559 54.311 54.840 0.050 0.000 0.897 306 L CB 1.119 43.069 42.059 -0.182 0.000 1.256 306 L HN 0.090 nan 8.230 nan 0.000 0.444 307 R N 3.970 124.628 120.500 0.263 0.000 2.297 307 R HA 0.431 4.771 4.340 -0.000 0.000 0.308 307 R C -2.458 174.000 176.300 0.264 0.000 1.029 307 R CA -1.533 54.710 56.100 0.239 0.000 0.929 307 R CB 1.269 31.642 30.300 0.121 0.000 1.046 307 R HN 0.153 nan 8.270 nan 0.000 0.461 308 P HA 0.013 nan 4.420 nan 0.000 0.271 308 P C -0.863 176.394 177.300 -0.072 0.000 1.216 308 P CA -0.182 62.844 63.100 -0.124 0.000 0.771 308 P CB 0.961 32.598 31.700 -0.105 0.000 0.864 319 c N 1.847 120.308 118.600 -0.230 0.000 2.281 319 c HA 0.576 5.145 4.570 -0.000 0.000 0.325 319 c C -0.356 173.593 174.090 -0.235 0.000 1.282 319 c CA -0.723 55.516 56.329 -0.149 0.000 1.640 319 c CB -0.923 41.522 42.510 -0.109 0.000 2.288 319 c HN 0.396 nan 8.230 nan 0.000 0.507 320 Y N 1.233 121.589 120.300 0.093 0.000 2.420 320 Y HA 0.511 5.061 4.550 -0.000 0.000 0.334 320 Y C 0.381 176.378 175.900 0.161 0.000 1.094 320 Y CA -0.625 57.560 58.100 0.143 0.000 1.126 320 Y CB 1.013 39.602 38.460 0.215 0.000 1.217 320 Y HN 0.539 nan 8.280 nan 0.000 0.462 321 K N 2.188 122.751 120.400 0.272 0.000 2.130 321 K HA 0.331 4.651 4.320 -0.000 0.000 0.268 321 K C -1.200 175.521 176.600 0.202 0.000 0.983 321 K CA -0.689 55.714 56.287 0.193 0.000 0.893 321 K CB 0.618 33.174 32.500 0.093 0.000 1.066 321 K HN 0.582 nan 8.250 nan 0.000 0.450 322 F N 3.813 123.660 119.950 -0.171 0.000 2.487 322 F HA 0.230 4.757 4.527 -0.000 0.000 0.364 322 F C 0.276 176.057 175.800 -0.032 0.000 1.126 322 F CA -0.534 57.325 58.000 -0.235 0.000 1.135 322 F CB 0.318 38.846 39.000 -0.786 0.000 1.127 322 F HN 0.632 nan 8.300 nan 0.000 0.559 323 A N 7.987 130.659 122.820 -0.247 0.000 2.734 323 A HA 0.385 4.705 4.320 -0.000 0.000 0.279 323 A C 0.158 177.545 177.584 -0.329 0.000 1.386 323 A CA -0.165 51.755 52.037 -0.195 0.000 0.987 323 A CB -1.215 17.766 19.000 -0.032 0.000 1.041 323 A HN 0.612 nan 8.150 nan 0.000 0.569 324 I N 0.544 120.686 120.570 -0.714 0.000 2.545 324 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 324 I C -0.386 175.629 176.117 -0.170 0.000 1.040 324 I CA -0.484 60.551 61.300 -0.442 0.000 1.068 324 I CB 2.473 40.168 38.000 -0.507 0.000 1.251 324 I HN 0.235 nan 8.210 nan 0.000 0.424 325 S N 3.694 119.304 115.700 -0.149 0.000 2.556 325 S HA 0.448 4.917 4.470 -0.000 0.000 0.271 325 S C -0.949 173.288 174.600 -0.606 0.000 1.135 325 S CA -1.176 56.764 58.200 -0.433 0.000 0.858 325 S CB 1.713 64.756 63.200 -0.262 0.000 1.114 325 S HN 0.638 nan 8.310 nan 0.000 0.468 326 Q N 0.612 119.803 119.800 -1.015 0.000 2.492 326 Q HA 0.672 5.012 4.340 -0.000 0.000 0.238 326 Q C -0.238 175.610 176.000 -0.253 0.000 1.045 326 Q CA -0.543 54.917 55.803 -0.572 0.000 0.934 326 Q CB 0.549 28.983 28.738 -0.506 0.000 1.276 326 Q HN 0.638 nan 8.270 nan 0.000 0.521 327 S N -0.560 115.061 115.700 -0.131 0.000 2.556 327 S HA 0.380 4.850 4.470 -0.000 0.000 0.271 327 S C -0.562 173.989 174.600 -0.080 0.000 1.135 327 S CA -0.478 57.662 58.200 -0.099 0.000 0.858 327 S CB 1.789 64.935 63.200 -0.089 0.000 1.114 327 S HN 0.615 nan 8.310 nan 0.000 0.468 328 S N 1.245 116.893 115.700 -0.088 0.000 2.559 328 S HA 0.102 4.572 4.470 -0.000 0.000 0.226 328 S C 1.130 175.640 174.600 -0.151 0.000 1.000 328 S CA 0.366 58.505 58.200 -0.102 0.000 0.948 328 S CB 0.258 63.419 63.200 -0.065 0.000 0.870 328 S HN 0.912 nan 8.310 nan 0.000 0.497 329 T N -0.814 113.655 114.554 -0.141 0.000 3.092 329 T HA 0.587 4.937 4.350 -0.000 0.000 0.258 329 T C 0.936 175.518 174.700 -0.197 0.000 1.031 329 T CA 0.191 62.193 62.100 -0.163 0.000 0.925 329 T CB 0.306 69.091 68.868 -0.138 0.000 1.036 329 T HN 0.737 nan 8.240 nan 0.000 0.544 330 G N 1.017 109.710 108.800 -0.179 0.000 2.483 330 G HA2 0.019 3.979 3.960 -0.000 0.000 0.521 330 G HA3 0.019 3.979 3.960 -0.000 0.000 0.521 330 G C -0.542 174.310 174.900 -0.080 0.000 1.278 330 G CA -0.671 44.347 45.100 -0.136 0.000 0.965 330 G HN 0.388 nan 8.290 nan 0.000 0.504 331 T N 0.088 114.621 114.554 -0.035 0.000 2.901 331 T HA 0.473 4.823 4.350 -0.000 0.000 0.301 331 T C 0.304 174.977 174.700 -0.044 0.000 1.012 331 T CA 0.187 62.277 62.100 -0.016 0.000 1.135 331 T CB 1.319 70.197 68.868 0.017 0.000 0.936 331 T HN 1.129 nan 8.240 nan 0.000 0.539 332 V N 5.103 124.995 119.914 -0.036 0.000 2.409 332 V HA 0.304 4.423 4.120 -0.000 0.000 0.290 332 V C -0.009 176.088 176.094 0.005 0.000 1.017 332 V CA -0.692 61.590 62.300 -0.030 0.000 0.841 332 V CB 1.393 33.187 31.823 -0.048 0.000 1.003 332 V HN 0.900 nan 8.190 nan 0.000 0.426 333 M N 4.705 124.326 119.600 0.035 0.000 2.497 333 M HA 0.383 4.863 4.480 -0.000 0.000 0.336 333 M C 0.957 177.311 176.300 0.089 0.000 1.378 333 M CA 0.144 55.482 55.300 0.064 0.000 1.375 333 M CB 0.492 33.144 32.600 0.086 0.000 1.337 333 M HN 0.775 nan 8.290 nan 0.000 0.461 334 G N 0.941 109.783 108.800 0.070 0.000 2.510 334 G HA2 0.499 4.459 3.960 -0.000 0.000 0.280 334 G HA3 0.499 4.459 3.960 -0.000 0.000 0.280 334 G C 0.864 175.823 174.900 0.098 0.000 1.386 334 G CA -0.072 45.072 45.100 0.074 0.000 1.047 334 G HN 0.704 nan 8.290 nan 0.000 0.527 335 A N -1.404 121.477 122.820 0.101 0.000 1.978 335 A HA -0.013 4.307 4.320 -0.000 0.000 0.220 335 A C 2.544 180.201 177.584 0.121 0.000 1.170 335 A CA 1.889 54.001 52.037 0.126 0.000 0.636 335 A CB -0.718 18.400 19.000 0.197 0.000 0.810 335 A HN 0.505 nan 8.150 nan 0.000 0.448 336 V N 0.471 120.445 119.914 0.101 0.000 2.282 336 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 336 V C 2.440 178.600 176.094 0.110 0.000 1.057 336 V CA 2.183 64.538 62.300 0.091 0.000 1.032 336 V CB -0.519 31.346 31.823 0.071 0.000 0.645 336 V HN 0.560 nan 8.190 nan 0.000 0.447 337 I N -0.868 119.784 120.570 0.136 0.000 2.233 337 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 337 I C 2.400 178.699 176.117 0.304 0.000 1.093 337 I CA 1.791 63.218 61.300 0.212 0.000 1.380 337 I CB -1.142 36.968 38.000 0.184 0.000 1.067 337 I HN 0.305 nan 8.210 nan 0.000 0.413 338 M N 0.053 119.798 119.600 0.242 0.000 2.279 338 M HA -0.178 4.301 4.480 -0.000 0.000 0.264 338 M C 1.893 178.283 176.300 0.151 0.000 1.062 338 M CA 1.357 56.805 55.300 0.247 0.000 1.099 338 M CB -0.516 32.166 32.600 0.137 0.000 1.394 338 M HN 0.209 nan 8.290 nan 0.000 0.426 339 E N 0.148 120.395 120.200 0.079 0.000 2.333 339 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 339 E C 1.951 178.518 176.600 -0.055 0.000 1.007 339 E CA 0.821 57.233 56.400 0.021 0.000 0.845 339 E CB -0.128 29.605 29.700 0.055 0.000 0.766 339 E HN 0.621 nan 8.360 nan 0.000 0.507 340 G N -0.379 108.297 108.800 -0.207 0.000 2.939 340 G HA2 0.068 4.028 3.960 -0.000 0.000 0.210 340 G HA3 0.068 4.028 3.960 -0.000 0.000 0.210 340 G C 0.125 174.561 174.900 -0.774 0.000 1.160 340 G CA -0.143 44.620 45.100 -0.562 0.000 0.770 340 G HN -0.014 nan 8.290 nan 0.000 0.543 341 F N -1.892 118.110 119.950 0.086 0.000 2.593 341 F HA 0.498 5.025 4.527 -0.000 0.000 0.320 341 F C -0.723 175.143 175.800 0.109 0.000 1.060 341 F CA -1.707 56.356 58.000 0.106 0.000 0.940 341 F CB 1.583 40.697 39.000 0.190 0.000 1.268 341 F HN -0.091 nan 8.300 nan 0.000 0.475 342 Y N 2.158 122.545 120.300 0.146 0.000 2.327 342 Y HA 0.602 5.152 4.550 -0.000 0.000 0.336 342 Y C -0.880 174.910 175.900 -0.183 0.000 1.035 342 Y CA -1.160 56.935 58.100 -0.007 0.000 1.165 342 Y CB 0.775 39.242 38.460 0.011 0.000 1.181 342 Y HN 0.284 nan 8.280 nan 0.000 0.494 343 V N 7.367 126.930 119.914 -0.584 0.000 2.409 343 V HA 0.359 4.479 4.120 -0.000 0.000 0.291 343 V C -0.724 174.779 176.094 -0.984 0.000 1.020 343 V CA -1.045 60.733 62.300 -0.871 0.000 0.848 343 V CB 1.353 32.724 31.823 -0.753 0.000 0.990 343 V HN 0.543 nan 8.190 nan 0.000 0.430 344 V N 5.513 124.812 119.914 -1.025 0.000 2.350 344 V HA 0.418 4.538 4.120 -0.000 0.000 0.276 344 V C -0.420 175.181 176.094 -0.820 0.000 1.028 344 V CA -0.276 61.560 62.300 -0.773 0.000 0.860 344 V CB 1.070 32.594 31.823 -0.498 0.000 0.990 344 V HN 0.712 nan 8.190 nan 0.000 0.453 345 F N 3.051 122.493 119.950 -0.848 0.000 2.451 345 F HA 0.284 4.811 4.527 -0.000 0.000 0.356 345 F C 0.809 176.248 175.800 -0.602 0.000 1.178 345 F CA -0.370 57.062 58.000 -0.948 0.000 1.210 345 F CB 0.532 38.420 39.000 -1.852 0.000 1.504 345 F HN 0.429 nan 8.300 nan 0.000 0.598 346 D N 3.231 123.515 120.400 -0.193 0.000 2.563 346 D HA 0.118 4.758 4.640 -0.000 0.000 0.222 346 D C 1.387 177.703 176.300 0.027 0.000 1.145 346 D CA 0.009 53.962 54.000 -0.077 0.000 1.001 346 D CB 0.228 40.987 40.800 -0.068 0.000 1.049 346 D HN 0.444 nan 8.370 nan 0.000 0.515 347 R N 1.274 121.822 120.500 0.081 0.000 2.120 347 R HA -0.107 4.232 4.340 -0.000 0.000 0.234 347 R C 2.116 178.521 176.300 0.175 0.000 1.123 347 R CA 1.426 57.661 56.100 0.224 0.000 0.975 347 R CB -0.027 30.432 30.300 0.265 0.000 0.866 347 R HN 0.324 nan 8.270 nan 0.000 0.446 348 A N 0.975 123.865 122.820 0.117 0.000 1.933 348 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 348 A C 1.801 179.414 177.584 0.048 0.000 1.175 348 A CA 1.316 53.405 52.037 0.087 0.000 0.628 348 A CB -0.146 18.896 19.000 0.070 0.000 0.814 348 A HN 0.186 nan 8.150 nan 0.000 0.444 349 R N -1.344 119.164 120.500 0.014 0.000 2.507 349 R HA 0.210 4.550 4.340 -0.000 0.000 0.298 349 R C -0.403 175.897 176.300 -0.000 0.000 0.999 349 R CA -0.130 55.956 56.100 -0.024 0.000 1.082 349 R CB 0.132 30.367 30.300 -0.108 0.000 1.246 349 R HN 0.388 nan 8.270 nan 0.000 0.553 350 K N 1.604 122.039 120.400 0.058 0.000 3.156 350 K HA -0.247 4.073 4.320 -0.000 0.000 0.266 350 K C -0.699 175.959 176.600 0.097 0.000 0.966 350 K CA 1.061 57.405 56.287 0.096 0.000 0.719 350 K CB -1.060 31.476 32.500 0.060 0.000 1.333 350 K HN 0.441 nan 8.250 nan 0.000 0.468 351 R N -0.694 119.857 120.500 0.084 0.000 2.799 351 R HA 0.709 5.049 4.340 -0.000 0.000 0.270 351 R C -0.895 175.460 176.300 0.091 0.000 1.010 351 R CA -1.112 55.049 56.100 0.101 0.000 0.916 351 R CB 1.393 31.711 30.300 0.030 0.000 1.228 351 R HN 0.049 nan 8.270 nan 0.000 0.469 352 I N 0.833 121.471 120.570 0.113 0.000 2.466 352 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 352 I C -0.072 176.003 176.117 -0.070 0.000 1.026 352 I CA -0.938 60.281 61.300 -0.135 0.000 1.078 352 I CB 2.385 40.212 38.000 -0.288 0.000 1.249 352 I HN 0.876 nan 8.210 nan 0.000 0.429 353 G N 5.136 113.694 108.800 -0.404 0.000 2.388 353 G HA2 0.735 4.695 3.960 -0.000 0.000 0.330 353 G HA3 0.735 4.695 3.960 -0.000 0.000 0.330 353 G C -1.326 173.066 174.900 -0.847 0.000 1.142 353 G CA -0.249 44.394 45.100 -0.762 0.000 0.908 353 G HN 0.313 nan 8.290 nan 0.000 0.473 354 F N 0.512 120.159 119.950 -0.506 0.000 2.532 354 F HA 0.768 5.294 4.527 -0.000 0.000 0.321 354 F C 0.462 176.099 175.800 -0.271 0.000 1.089 354 F CA -0.541 57.248 58.000 -0.352 0.000 0.926 354 F CB 2.728 41.538 39.000 -0.316 0.000 1.168 354 F HN 0.716 nan 8.300 nan 0.000 0.459 355 A N 1.241 124.097 122.820 0.060 0.000 2.587 355 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 355 A C -1.485 176.316 177.584 0.362 0.000 1.087 355 A CA -0.840 51.275 52.037 0.129 0.000 0.692 355 A CB 1.061 19.961 19.000 -0.166 0.000 1.291 355 A HN 0.451 nan 8.150 nan 0.000 0.407 356 V N 1.595 121.704 119.914 0.324 0.000 2.599 356 V HA 0.264 4.384 4.120 -0.000 0.000 0.300 356 V C 1.185 177.385 176.094 0.176 0.000 1.034 356 V CA 0.380 62.795 62.300 0.192 0.000 1.115 356 V CB 1.153 33.000 31.823 0.040 0.000 0.934 356 V HN 0.914 nan 8.190 nan 0.000 0.485 357 S N 3.917 119.665 115.700 0.080 0.000 2.565 357 S HA 0.384 4.854 4.470 -0.000 0.000 0.276 357 S C 1.240 175.932 174.600 0.153 0.000 1.326 357 S CA -0.144 58.138 58.200 0.137 0.000 1.045 357 S CB 1.224 64.480 63.200 0.093 0.000 0.918 357 S HN 1.008 nan 8.310 nan 0.000 0.505 358 A N 2.968 125.848 122.820 0.099 0.000 2.248 358 A HA 0.036 4.356 4.320 -0.000 0.000 0.210 358 A C 1.632 179.247 177.584 0.052 0.000 1.174 358 A CA 0.931 53.007 52.037 0.064 0.000 0.750 358 A CB -1.170 17.824 19.000 -0.010 0.000 0.780 358 A HN 1.224 nan 8.150 nan 0.000 0.478 359 c N -1.341 117.299 118.600 0.067 0.000 3.386 359 c HA 0.386 4.956 4.570 -0.000 0.000 0.279 359 c C 0.891 174.979 174.090 -0.003 0.000 1.508 359 c CA -0.214 56.123 56.329 0.014 0.000 1.801 359 c CB -1.648 40.869 42.510 0.012 0.000 2.798 359 c HN 0.676 nan 8.230 nan 0.000 0.605 367 T N -1.147 113.426 114.554 0.033 0.000 2.909 367 T HA 0.729 5.079 4.350 -0.000 0.000 0.299 367 T C 0.089 174.784 174.700 -0.008 0.000 1.073 367 T CA -0.833 61.313 62.100 0.077 0.000 0.999 367 T CB 2.077 71.020 68.868 0.125 0.000 1.098 367 T HN 0.643 nan 8.240 nan 0.000 0.477 368 A N 1.524 124.272 122.820 -0.120 0.000 2.531 368 A HA 0.631 4.951 4.320 -0.000 0.000 0.236 368 A C 0.597 178.095 177.584 -0.143 0.000 1.062 368 A CA 0.000 51.898 52.037 -0.233 0.000 0.760 368 A CB -0.683 17.986 19.000 -0.552 0.000 0.995 368 A HN 1.789 nan 8.150 nan 0.000 0.501 369 A N 1.526 124.389 122.820 0.071 0.000 2.486 369 A HA 0.646 4.966 4.320 -0.000 0.000 0.300 369 A C -1.081 176.605 177.584 0.171 0.000 1.048 369 A CA -0.431 51.668 52.037 0.104 0.000 0.696 369 A CB 1.633 20.655 19.000 0.037 0.000 1.278 369 A HN 1.373 nan 8.150 nan 0.000 0.405 370 V N 2.577 122.561 119.914 0.117 0.000 2.409 370 V HA 0.506 4.626 4.120 -0.000 0.000 0.290 370 V C -0.532 175.504 176.094 -0.097 0.000 1.017 370 V CA -0.420 61.885 62.300 0.008 0.000 0.841 370 V CB 1.110 32.988 31.823 0.093 0.000 1.003 370 V HN 0.960 nan 8.190 nan 0.000 0.426 371 E N 2.995 123.049 120.200 -0.244 0.000 2.369 371 E HA 0.906 5.256 4.350 -0.000 0.000 0.270 371 E C -0.107 176.145 176.600 -0.580 0.000 0.909 371 E CA -0.991 55.243 56.400 -0.277 0.000 0.775 371 E CB 3.239 32.920 29.700 -0.031 0.000 1.270 371 E HN 0.823 nan 8.360 nan 0.000 0.445 372 G N 1.135 109.501 108.800 -0.722 0.000 2.322 372 G HA2 0.369 4.329 3.960 -0.000 0.000 0.295 372 G HA3 0.369 4.329 3.960 -0.000 0.000 0.295 372 G C -3.016 171.642 174.900 -0.404 0.000 1.369 372 G CA -0.815 43.743 45.100 -0.903 0.000 0.821 372 G HN 0.414 nan 8.290 nan 0.000 0.536 373 P HA 0.745 nan 4.420 nan 0.000 0.279 373 P C -1.397 175.702 177.300 -0.335 0.000 1.252 373 P CA -0.407 62.624 63.100 -0.114 0.000 0.811 373 P CB 1.143 32.949 31.700 0.177 0.000 1.035 374 F N -1.046 118.924 119.950 0.032 0.000 2.561 374 F HA 0.349 4.876 4.527 -0.000 0.000 0.321 374 F C 0.116 175.952 175.800 0.060 0.000 1.065 374 F CA -1.059 56.975 58.000 0.057 0.000 0.934 374 F CB 1.878 40.945 39.000 0.111 0.000 1.215 374 F HN -0.077 nan 8.300 nan 0.000 0.471 375 V N 1.733 121.789 119.914 0.237 0.000 2.385 375 V HA 0.418 4.538 4.120 -0.000 0.000 0.269 375 V C -0.504 175.652 176.094 0.103 0.000 1.043 375 V CA -0.184 62.198 62.300 0.138 0.000 0.906 375 V CB 0.925 32.802 31.823 0.090 0.000 0.995 375 V HN 0.795 nan 8.190 nan 0.000 0.467 376 T N 6.572 121.173 114.554 0.078 0.000 2.890 376 T HA 0.572 4.922 4.350 -0.000 0.000 0.295 376 T C -0.380 174.337 174.700 0.028 0.000 0.993 376 T CA -0.455 61.661 62.100 0.027 0.000 0.979 376 T CB 1.053 69.923 68.868 0.004 0.000 0.967 376 T HN 0.297 nan 8.240 nan 0.000 0.441 377 L N 2.336 123.567 121.223 0.014 0.000 2.421 377 L HA 0.448 4.788 4.340 -0.000 0.000 0.263 377 L C 0.259 177.136 176.870 0.011 0.000 1.122 377 L CA -0.669 54.181 54.840 0.016 0.000 0.804 377 L CB 0.300 42.365 42.059 0.010 0.000 1.150 377 L HN 0.640 nan 8.230 nan 0.000 0.457 378 D N 0.872 121.281 120.400 0.014 0.000 2.870 378 D HA -0.216 4.424 4.640 -0.000 0.000 0.228 378 D C 1.064 177.373 176.300 0.016 0.000 1.147 378 D CA 0.827 54.834 54.000 0.011 0.000 0.757 378 D CB -0.726 40.075 40.800 0.002 0.000 1.091 378 D HN 0.614 nan 8.370 nan 0.000 0.429 379 M N -0.347 119.269 119.600 0.026 0.000 2.213 379 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 379 M C 1.942 178.265 176.300 0.040 0.000 1.062 379 M CA 1.282 56.602 55.300 0.034 0.000 1.105 379 M CB -0.026 32.600 32.600 0.043 0.000 1.385 379 M HN -0.026 nan 8.290 nan 0.000 0.417 380 E N 0.586 120.808 120.200 0.036 0.000 2.153 380 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 380 E C 1.299 177.918 176.600 0.031 0.000 0.988 380 E CA 1.093 57.515 56.400 0.036 0.000 0.811 380 E CB -0.524 29.192 29.700 0.028 0.000 0.746 380 E HN 0.527 nan 8.360 nan 0.000 0.466 381 D N -0.100 120.313 120.400 0.022 0.000 2.350 381 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 381 D C 1.537 177.853 176.300 0.028 0.000 0.968 381 D CA 0.411 54.419 54.000 0.015 0.000 0.894 381 D CB -0.317 40.484 40.800 0.001 0.000 0.909 381 D HN 0.209 nan 8.370 nan 0.000 0.520 382 c N 0.635 119.261 118.600 0.043 0.000 2.481 382 c HA 0.205 4.775 4.570 -0.000 0.000 0.275 382 c C 1.647 175.799 174.090 0.104 0.000 1.419 382 c CA -0.384 55.983 56.329 0.062 0.000 1.773 382 c CB -1.005 41.551 42.510 0.076 0.000 1.862 382 c HN 0.216 nan 8.230 nan 0.000 0.530 383 G N -0.722 108.139 108.800 0.101 0.000 2.403 383 G HA2 0.367 4.327 3.960 -0.000 0.000 0.259 383 G HA3 0.367 4.327 3.960 -0.000 0.000 0.259 383 G C -0.967 174.032 174.900 0.164 0.000 1.244 383 G CA 0.057 45.238 45.100 0.135 0.000 0.849 383 G HN 0.449 nan 8.290 nan 0.000 0.532 384 Y N 2.834 123.193 120.300 0.099 0.000 2.313 384 Y HA 0.318 4.867 4.550 -0.000 0.000 0.332 384 Y C 0.259 176.217 175.900 0.096 0.000 1.071 384 Y CA -0.844 57.324 58.100 0.114 0.000 1.169 384 Y CB 0.879 39.453 38.460 0.191 0.000 1.192 384 Y HN 0.431 nan 8.280 nan 0.000 0.487 385 N N 6.608 125.027 118.700 -0.469 0.000 2.405 385 N HA 0.323 5.063 4.740 -0.000 0.000 0.299 385 N C -0.070 175.238 175.510 -0.336 0.000 1.075 385 N CA -0.457 52.418 53.050 -0.291 0.000 0.884 385 N CB 1.807 40.166 38.487 -0.213 0.000 1.194 385 N HN 0.703 nan 8.380 nan 0.000 0.491 386 I N 0.000 120.502 120.570 -0.114 0.000 2.984 386 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 386 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 386 I CB 0.000 37.977 38.000 -0.039 0.000 1.214 386 I HN 0.000 nan 8.210 nan 0.000 0.494