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 1hgf_1_A DATA FIRST_RESID 1 DATA SEQUENCE QDLPGNDNST ATLCLGHHAV PNGTLVKTIT DDQIEVTNAT ELVQSSSTGK DATA SEQUENCE IcNNPHRILD GIDcTLIDAL LGDPHcDVFQ NETWDLFVER SKAFSNcYPY DATA SEQUENCE DVPDYASLRS LVASSGTLEF ITEGFTWTGV TQNGGSNAcK RGPGSGFFSR DATA SEQUENCE LNWLTKSGST YPVLNVTMPN NDNFDKLYIW GIHHPSTNQE QTSLYVQASG DATA SEQUENCE RVTVSTRRSQ QTIIPNIGSR PWVRGLSSRI SIYWTIVKPG DVLVINSNGN DATA SEQUENCE LIAPRGYFKM RTGKSSIMRS DAPIDTcISE cITPNGSIPN DKPFQNVNKI DATA SEQUENCE TYGAcPKYVK QNTLKLATGM RNVPEKQT 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.000 176.000 0.000 0.000 1.003 1 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 1 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 2 D N 0.294 120.694 120.400 0.000 0.000 2.049 2 D HA -0.007 nan 4.640 nan 0.000 0.233 2 D C 0.442 176.742 176.300 0.000 0.000 0.994 2 D CA 2.877 56.878 54.000 0.000 0.000 0.925 2 D CB 0.294 41.095 40.800 0.000 0.000 1.146 2 D HN 0.257 8.627 8.370 0.000 0.000 0.472 3 L N -6.025 115.199 121.223 0.000 0.000 2.731 3 L HA 0.389 nan 4.340 nan 0.000 0.240 3 L C -2.426 174.444 176.870 0.000 0.000 1.041 3 L CA -1.240 53.600 54.840 0.000 0.000 1.198 3 L CB 0.476 42.536 42.059 0.000 0.000 1.597 3 L HN -0.551 7.679 8.230 0.000 0.000 0.401 4 P HA -0.048 nan 4.420 nan 0.000 0.257 4 P C -0.342 176.958 177.300 0.000 0.000 1.269 4 P CA -0.051 63.049 63.100 0.000 0.000 1.122 4 P CB -1.310 30.390 31.700 0.000 0.000 1.285 5 G N 3.978 112.778 108.800 0.000 0.000 2.734 5 G HA2 -0.147 nan 3.960 nan 0.000 0.287 5 G HA3 -0.147 nan 3.960 nan 0.000 0.287 5 G C -0.071 174.829 174.900 0.000 0.000 0.728 5 G CA -0.037 45.063 45.100 0.000 0.000 1.999 5 G HN 0.056 8.346 8.290 0.000 0.000 0.535 6 N N 2.447 121.147 118.700 0.000 0.000 2.376 6 N HA -0.209 nan 4.740 nan 0.000 0.177 6 N C 0.542 176.052 175.510 0.000 0.000 1.024 6 N CA 0.905 53.955 53.050 0.000 0.000 0.893 6 N CB 0.255 38.743 38.487 0.000 0.000 0.980 6 N HN -0.159 8.195 8.380 0.000 0.026 0.439 7 D N -0.138 120.262 120.400 0.000 0.000 2.455 7 D HA -0.042 nan 4.640 nan 0.000 0.234 7 D C -0.643 175.658 176.300 0.000 0.000 1.224 7 D CA -0.238 53.762 54.000 0.000 0.000 0.999 7 D CB -0.774 40.026 40.800 0.000 0.000 1.072 7 D HN -0.181 8.189 8.370 0.000 0.000 0.514 8 N N 5.841 124.541 118.700 0.000 0.000 3.254 8 N HA 0.071 nan 4.740 nan 0.000 0.308 8 N C -0.496 175.014 175.510 0.000 0.000 1.281 8 N CA -0.003 53.047 53.050 0.000 0.000 1.212 8 N CB -0.280 38.207 38.487 0.000 0.000 1.478 8 N HN -0.183 8.171 8.380 0.000 0.026 0.548 9 S N 2.075 117.775 115.700 0.000 0.000 2.786 9 S HA 0.438 nan 4.470 nan 0.000 0.307 9 S C -0.507 174.093 174.600 0.001 0.000 1.121 9 S CA -0.579 57.621 58.200 0.000 0.000 0.975 9 S CB 1.300 64.500 63.200 0.000 0.000 1.220 9 S HN -0.450 7.820 8.310 0.000 0.040 0.550 10 T N -4.112 110.442 114.554 0.001 0.000 2.858 10 T HA 0.896 nan 4.350 nan 0.000 0.285 10 T C -1.613 173.087 174.700 0.001 0.000 1.052 10 T CA -1.151 60.949 62.100 0.001 0.000 1.009 10 T CB 1.844 70.713 68.868 0.001 0.000 1.241 10 T HN 0.545 8.785 8.240 0.000 0.000 0.542 11 A N -0.760 122.061 122.820 0.001 0.000 2.527 11 A HA 0.420 nan 4.320 nan 0.000 0.293 11 A C -1.221 176.364 177.584 0.001 0.000 1.117 11 A CA -0.345 51.692 52.037 0.001 0.000 0.723 11 A CB 1.514 20.514 19.000 0.001 0.000 1.313 11 A HN -0.066 8.084 8.150 0.001 0.000 0.411 12 T N 1.889 116.444 114.554 0.001 0.000 2.824 12 T HA 0.254 nan 4.350 nan 0.000 0.282 12 T C -1.186 173.514 174.700 0.001 0.000 0.993 12 T CA 0.184 62.285 62.100 0.001 0.000 0.967 12 T CB 0.951 69.820 68.868 0.000 0.000 0.960 12 T HN -0.109 8.131 8.240 0.000 0.000 0.441 13 L N 4.929 126.153 121.223 0.002 0.000 2.362 13 L HA 0.340 nan 4.340 nan 0.000 0.275 13 L C -0.711 176.160 176.870 0.003 0.000 0.998 13 L CA -0.014 54.827 54.840 0.002 0.000 0.820 13 L CB 1.528 43.588 42.059 0.002 0.000 1.270 13 L HN 0.092 8.324 8.230 0.002 0.000 0.415 14 C N 4.277 123.579 119.300 0.002 0.000 2.441 14 C HA 0.316 nan 4.460 nan 0.000 0.318 14 C C -0.514 174.478 174.990 0.005 0.000 1.222 14 C CA -0.693 58.327 59.018 0.003 0.000 1.474 14 C CB 1.181 28.921 27.740 -0.001 0.000 2.125 14 C HN 0.216 8.447 8.230 0.001 0.000 0.479 15 L N 2.867 124.097 121.223 0.011 0.000 2.343 15 L HA 0.321 nan 4.340 nan 0.000 0.275 15 L C 0.347 177.231 176.870 0.022 0.000 1.056 15 L CA 0.228 55.079 54.840 0.018 0.000 0.804 15 L CB 0.934 43.007 42.059 0.025 0.000 1.203 15 L HN 0.372 8.610 8.230 0.013 0.000 0.440 16 G N -0.085 108.730 108.800 0.025 0.000 2.606 16 G HA2 0.136 nan 3.960 nan 0.000 0.300 16 G HA3 0.136 nan 3.960 nan 0.000 0.300 16 G C -2.183 172.744 174.900 0.046 0.000 1.360 16 G CA -0.193 44.908 45.100 0.003 0.000 0.783 16 G HN 0.140 8.446 8.290 0.026 0.000 0.484 17 H N -2.723 116.370 119.070 0.039 0.000 2.928 17 H HA 0.608 nan 4.556 nan 0.000 0.371 17 H C -0.572 174.837 175.328 0.134 0.000 1.186 17 H CA -0.839 55.244 56.048 0.057 0.000 1.134 17 H CB 1.339 31.140 29.762 0.065 0.000 1.824 17 H HN 0.775 8.771 8.280 -0.474 0.000 0.554 18 H N 0.498 119.606 119.070 0.064 0.000 2.703 18 H HA 0.033 nan 4.556 nan 0.000 0.377 18 H C -1.736 173.623 175.328 0.053 0.000 1.392 18 H CA -0.782 55.277 56.048 0.019 0.000 1.458 18 H CB 0.738 30.523 29.762 0.039 0.000 1.529 18 H HN 0.136 8.553 8.280 0.229 0.000 0.619 19 A N -1.520 121.243 122.820 -0.096 0.000 2.594 19 A HA 0.278 nan 4.320 nan 0.000 0.295 19 A C -2.179 175.283 177.584 -0.203 0.000 1.071 19 A CA -0.592 51.352 52.037 -0.155 0.000 0.685 19 A CB 2.547 21.513 19.000 -0.057 0.000 1.285 19 A HN 0.019 8.136 8.150 -0.055 0.000 0.405 20 V N -3.419 116.387 119.914 -0.180 0.000 2.919 20 V HA 0.556 nan 4.120 nan 0.000 0.316 20 V C -2.203 173.849 176.094 -0.069 0.000 1.077 20 V CA -3.228 58.996 62.300 -0.127 0.000 0.977 20 V CB 2.280 34.023 31.823 -0.133 0.000 1.039 20 V HN 0.696 9.206 8.190 -0.147 -0.408 0.441 21 P HA 0.006 nan 4.420 nan 0.000 0.218 21 P C -0.774 176.511 177.300 -0.026 0.000 1.152 21 P CA 1.855 64.936 63.100 -0.030 0.000 0.826 21 P CB 0.306 31.992 31.700 -0.023 0.000 0.790 22 N N -1.240 117.444 118.700 -0.027 0.000 2.187 22 N HA -0.122 nan 4.740 nan 0.000 0.191 22 N C 0.231 175.728 175.510 -0.021 0.000 1.057 22 N CA 0.569 53.607 53.050 -0.020 0.000 0.913 22 N CB -0.220 38.258 38.487 -0.016 0.000 1.089 22 N HN 0.046 8.407 8.380 -0.032 0.000 0.472 23 G N -0.678 108.108 108.800 -0.024 0.000 2.692 23 G HA2 -0.356 nan 3.960 nan 0.000 0.686 23 G HA3 -0.356 nan 3.960 nan 0.000 0.686 23 G C -1.630 173.264 174.900 -0.010 0.000 1.243 23 G CA -0.283 44.805 45.100 -0.020 0.000 0.782 23 G HN -0.272 8.003 8.290 -0.025 0.000 0.625 24 T N 2.199 116.749 114.554 -0.005 0.000 2.893 24 T HA 0.252 nan 4.350 nan 0.000 0.293 24 T C -1.099 173.601 174.700 0.000 0.000 1.027 24 T CA -0.756 61.343 62.100 -0.001 0.000 0.988 24 T CB 2.715 71.584 68.868 0.002 0.000 1.043 24 T HN 0.206 8.443 8.240 -0.005 0.000 0.461 25 L N 4.538 125.761 121.223 -0.000 0.000 2.292 25 L HA 0.807 nan 4.340 nan 0.000 0.284 25 L C -1.078 175.792 176.870 0.001 0.000 1.065 25 L CA -0.548 54.292 54.840 -0.000 0.000 0.806 25 L CB 0.487 42.545 42.059 -0.001 0.000 1.175 25 L HN 0.102 8.332 8.230 -0.000 0.000 0.431 26 V N -3.592 116.323 119.914 0.001 0.000 3.126 26 V HA 0.712 nan 4.120 nan 0.000 0.314 26 V C -1.718 174.376 176.094 -0.001 0.000 1.138 26 V CA -3.575 58.726 62.300 0.002 0.000 1.034 26 V CB 2.969 34.795 31.823 0.005 0.000 1.075 26 V HN 0.753 8.944 8.190 0.001 0.000 0.442 27 K N 0.140 120.538 120.400 -0.003 0.000 2.095 27 K HA 0.765 nan 4.320 nan 0.000 0.252 27 K C -0.319 176.279 176.600 -0.004 0.000 0.977 27 K CA -0.473 55.810 56.287 -0.006 0.000 0.900 27 K CB 1.763 34.257 32.500 -0.011 0.000 1.060 27 K HN 0.329 8.578 8.250 -0.002 0.000 0.449 28 T N 0.571 115.122 114.554 -0.005 0.000 2.778 28 T HA 0.299 nan 4.350 nan 0.000 0.293 28 T C -0.272 174.425 174.700 -0.005 0.000 1.144 28 T CA -0.811 61.287 62.100 -0.003 0.000 1.010 28 T CB 1.989 70.856 68.868 -0.003 0.000 1.325 28 T HN 0.383 8.619 8.240 -0.006 0.000 0.515 29 I N 1.142 121.710 120.570 -0.004 0.000 2.163 29 I HA -0.090 nan 4.170 nan 0.000 0.240 29 I C 1.469 177.583 176.117 -0.005 0.000 1.081 29 I CA 2.190 63.487 61.300 -0.004 0.000 1.353 29 I CB -0.817 37.181 38.000 -0.003 0.000 1.054 29 I HN 0.189 8.398 8.210 -0.003 0.000 0.407 30 T N -5.310 109.242 114.554 -0.004 0.000 3.057 30 T HA 0.079 nan 4.350 nan 0.000 0.254 30 T C -0.543 174.154 174.700 -0.004 0.000 1.094 30 T CA 0.669 62.767 62.100 -0.004 0.000 1.088 30 T CB 0.186 69.052 68.868 -0.003 0.000 0.934 30 T HN -0.128 8.110 8.240 -0.004 0.000 0.497 31 D N -0.087 120.311 120.400 -0.004 0.000 2.581 31 D HA 0.224 nan 4.640 nan 0.000 0.232 31 D C -1.109 175.188 176.300 -0.005 0.000 1.143 31 D CA -1.007 52.991 54.000 -0.004 0.000 0.881 31 D CB 3.304 44.102 40.800 -0.003 0.000 1.500 31 D HN -0.530 7.837 8.370 -0.004 0.000 0.458 32 D N -1.616 118.780 120.400 -0.006 0.000 2.433 32 D HA 0.082 nan 4.640 nan 0.000 0.211 32 D C -0.799 175.497 176.300 -0.006 0.000 1.114 32 D CA 0.239 54.235 54.000 -0.007 0.000 0.837 32 D CB 0.985 41.779 40.800 -0.009 0.000 0.984 32 D HN 0.091 8.458 8.370 -0.005 0.000 0.505 33 Q N -0.627 119.171 119.800 -0.004 0.000 2.414 33 Q HA 0.311 nan 4.340 nan 0.000 0.256 33 Q C -1.857 174.141 176.000 -0.002 0.000 0.974 33 Q CA -0.785 55.016 55.803 -0.003 0.000 0.723 33 Q CB 2.863 31.599 28.738 -0.003 0.000 1.281 33 Q HN -0.352 7.916 8.270 -0.004 0.000 0.470 34 I N 3.243 123.812 120.570 -0.001 0.000 2.569 34 I HA 0.281 nan 4.170 nan 0.000 0.296 34 I C -2.553 173.565 176.117 0.001 0.000 1.028 34 I CA -1.998 59.302 61.300 0.000 0.000 1.082 34 I CB 4.079 42.079 38.000 -0.000 0.000 1.264 34 I HN 0.580 8.789 8.210 -0.001 0.000 0.429 35 E N 6.780 126.981 120.200 0.002 0.000 2.200 35 E HA 0.648 nan 4.350 nan 0.000 0.283 35 E C -1.238 175.364 176.600 0.003 0.000 1.015 35 E CA -1.108 55.292 56.400 0.001 0.000 0.819 35 E CB 1.927 31.627 29.700 0.000 0.000 1.081 35 E HN 0.089 8.450 8.360 0.002 0.000 0.397 36 V N 0.863 120.779 119.914 0.003 0.000 3.103 36 V HA 0.784 nan 4.120 nan 0.000 0.318 36 V C 0.102 176.196 176.094 -0.000 0.000 1.114 36 V CA -3.073 59.231 62.300 0.007 0.000 1.020 36 V CB 2.298 34.128 31.823 0.012 0.000 1.085 36 V HN 0.701 8.892 8.190 0.002 0.000 0.446 37 T N 2.371 116.927 114.554 0.002 0.000 2.759 37 T HA -0.278 nan 4.350 nan 0.000 0.269 37 T C -0.859 173.838 174.700 -0.005 0.000 1.042 37 T CA 4.809 66.895 62.100 -0.023 0.000 1.140 37 T CB 0.118 68.986 68.868 -0.001 0.000 0.864 37 T HN 0.548 8.800 8.240 0.021 0.000 0.455 38 N N -3.185 115.525 118.700 0.017 0.000 2.745 38 N HA 0.037 nan 4.740 nan 0.000 0.256 38 N C -2.535 172.987 175.510 0.020 0.000 1.268 38 N CA -0.237 52.824 53.050 0.019 0.000 0.887 38 N CB 2.792 41.299 38.487 0.033 0.000 1.575 38 N HN -0.520 7.845 8.380 0.022 0.028 0.496 39 A N -0.281 122.549 122.820 0.017 0.000 2.609 39 A HA 0.605 nan 4.320 nan 0.000 0.291 39 A C -2.267 175.328 177.584 0.018 0.000 1.096 39 A CA -0.308 51.739 52.037 0.017 0.000 0.684 39 A CB 3.263 22.272 19.000 0.014 0.000 1.282 39 A HN -0.033 8.126 8.150 0.016 0.000 0.412 40 T N -0.916 113.649 114.554 0.019 0.000 2.900 40 T HA 0.331 nan 4.350 nan 0.000 0.295 40 T C -2.681 172.033 174.700 0.024 0.000 1.044 40 T CA -1.254 60.858 62.100 0.019 0.000 0.995 40 T CB 2.197 71.075 68.868 0.017 0.000 1.072 40 T HN 0.657 8.801 8.240 0.021 0.108 0.473 41 E N 5.395 125.610 120.200 0.024 0.000 2.283 41 E HA 0.426 nan 4.350 nan 0.000 0.278 41 E C -0.914 175.712 176.600 0.044 0.000 1.027 41 E CA -0.623 55.796 56.400 0.032 0.000 0.843 41 E CB 0.611 30.327 29.700 0.026 0.000 1.062 41 E HN 0.260 8.632 8.360 0.020 0.000 0.401 42 L N 4.416 125.683 121.223 0.074 0.000 2.693 42 L HA 0.274 nan 4.340 nan 0.000 0.235 42 L C -1.290 175.671 176.870 0.151 0.000 1.127 42 L CA -0.094 54.812 54.840 0.111 0.000 0.914 42 L CB 1.182 43.359 42.059 0.197 0.000 1.193 42 L HN 0.623 8.897 8.230 0.074 0.000 0.502 43 V N -0.797 119.181 119.914 0.107 0.000 2.334 43 V HA 0.174 nan 4.120 nan 0.000 0.281 43 V C -1.323 174.805 176.094 0.055 0.000 1.016 43 V CA -1.982 60.376 62.300 0.097 0.000 0.832 43 V CB 0.142 31.993 31.823 0.046 0.000 0.999 43 V HN -0.686 7.790 8.190 0.074 -0.241 0.439 44 Q N 8.296 128.129 119.800 0.056 0.000 2.281 44 Q HA 0.009 nan 4.340 nan 0.000 0.267 44 Q C -0.327 175.698 176.000 0.042 0.000 1.053 44 Q CA -0.557 55.271 55.803 0.043 0.000 0.905 44 Q CB 0.511 29.276 28.738 0.044 0.000 1.195 44 Q HN 0.330 8.644 8.270 0.072 0.000 0.398 45 S N 5.725 121.446 115.700 0.034 0.000 2.650 45 S HA 0.146 nan 4.470 nan 0.000 0.240 45 S C -1.349 173.273 174.600 0.038 0.000 1.007 45 S CA -0.694 57.526 58.200 0.033 0.000 0.984 45 S CB 0.324 63.536 63.200 0.021 0.000 0.910 45 S HN 0.061 8.389 8.310 0.030 0.000 0.509 46 S N -0.107 115.616 115.700 0.039 0.000 2.548 46 S HA 0.217 nan 4.470 nan 0.000 0.276 46 S C -1.308 173.316 174.600 0.039 0.000 1.129 46 S CA -0.648 57.574 58.200 0.036 0.000 0.931 46 S CB 2.058 65.274 63.200 0.028 0.000 1.068 46 S HN -0.702 7.631 8.310 0.039 0.000 0.480 47 S N 1.972 117.695 115.700 0.039 0.000 2.651 47 S HA 0.360 nan 4.470 nan 0.000 0.291 47 S C 1.409 176.028 174.600 0.032 0.000 1.141 47 S CA -1.398 56.825 58.200 0.039 0.000 1.027 47 S CB 1.883 65.108 63.200 0.042 0.000 1.043 47 S HN -0.195 8.137 8.310 0.037 0.000 0.530 48 T N 0.596 115.168 114.554 0.031 0.000 2.951 48 T HA 0.096 nan 4.350 nan 0.000 0.268 48 T C 1.413 176.127 174.700 0.024 0.000 1.073 48 T CA 0.230 62.345 62.100 0.026 0.000 1.134 48 T CB 0.438 69.321 68.868 0.025 0.000 0.884 48 T HN 0.196 8.457 8.240 0.035 0.000 0.479 49 G N 2.244 111.059 108.800 0.026 0.000 2.176 49 G HA2 -0.374 nan 3.960 nan 0.000 0.232 49 G HA3 -0.374 nan 3.960 nan 0.000 0.232 49 G C -1.356 173.556 174.900 0.020 0.000 0.986 49 G CA -0.281 44.832 45.100 0.022 0.000 0.643 49 G HN -0.141 8.135 8.290 0.030 0.032 0.522 50 K N -0.549 119.865 120.400 0.023 0.000 2.422 50 K HA 0.346 nan 4.320 nan 0.000 0.251 50 K C -1.463 175.152 176.600 0.026 0.000 0.933 50 K CA -1.509 54.790 56.287 0.020 0.000 0.798 50 K CB 3.324 35.835 32.500 0.018 0.000 1.238 50 K HN -0.615 7.597 8.250 0.026 0.053 0.428 51 I N 3.422 124.006 120.570 0.022 0.000 2.322 51 I HA 0.066 nan 4.170 nan 0.000 0.292 51 I C -0.828 175.308 176.117 0.032 0.000 1.060 51 I CA -0.780 60.538 61.300 0.030 0.000 1.309 51 I CB 0.374 38.384 38.000 0.016 0.000 1.415 51 I HN 0.765 8.875 8.210 0.015 0.109 0.492 52 c N 9.096 127.723 118.600 0.045 0.000 2.629 52 c HA -0.047 nan 4.570 nan 0.000 0.410 52 c C 1.431 175.548 174.090 0.044 0.000 1.339 52 c CA 0.365 56.717 56.329 0.039 0.000 1.810 52 c CB -1.354 41.181 42.510 0.041 0.000 2.549 52 c HN 0.250 8.513 8.230 0.055 0.000 0.589 53 N N 7.012 125.729 118.700 0.029 0.000 2.482 53 N HA -0.259 nan 4.740 nan 0.000 0.220 53 N C -1.336 174.189 175.510 0.025 0.000 1.255 53 N CA -0.627 52.440 53.050 0.029 0.000 0.850 53 N CB -1.296 37.200 38.487 0.016 0.000 1.127 53 N HN 0.499 8.892 8.380 0.021 0.000 0.475 54 N N -1.664 117.047 118.700 0.018 0.000 2.431 54 N HA 0.251 nan 4.740 nan 0.000 0.275 54 N C -2.400 173.075 175.510 -0.058 0.000 1.091 54 N CA -1.302 51.738 53.050 -0.017 0.000 0.922 54 N CB 2.894 41.373 38.487 -0.014 0.000 1.666 54 N HN -0.545 7.745 8.380 0.032 0.109 0.484 55 P HA 0.046 nan 4.420 nan 0.000 0.245 55 P C -0.973 176.202 177.300 -0.209 0.000 1.206 55 P CA 0.798 63.778 63.100 -0.199 0.000 0.781 55 P CB 0.295 31.854 31.700 -0.235 0.000 0.994 56 H N -1.030 118.089 119.070 0.083 0.000 2.508 56 H HA 0.114 nan 4.556 nan 0.000 0.358 56 H C -0.800 174.562 175.328 0.056 0.000 1.212 56 H CA -0.611 55.497 56.048 0.100 0.000 1.356 56 H CB 1.296 31.160 29.762 0.169 0.000 1.525 56 H HN -0.136 8.007 8.280 -0.144 0.050 0.578 57 R N 2.169 122.775 120.500 0.177 0.000 2.325 57 R HA 0.090 nan 4.340 nan 0.000 0.323 57 R C -0.812 175.550 176.300 0.102 0.000 1.177 57 R CA -0.576 55.591 56.100 0.112 0.000 1.018 57 R CB -0.500 29.861 30.300 0.101 0.000 1.070 57 R HN 0.036 8.771 8.270 0.211 -0.339 0.495 58 I N 6.032 126.639 120.570 0.062 0.000 2.371 58 I HA 0.096 nan 4.170 nan 0.000 0.290 58 I C -1.097 175.012 176.117 -0.013 0.000 1.028 58 I CA 0.124 61.431 61.300 0.011 0.000 1.345 58 I CB 1.175 39.173 38.000 -0.004 0.000 1.407 58 I HN 0.034 8.278 8.210 0.058 0.000 0.501 59 L N 9.893 131.069 121.223 -0.077 0.000 2.295 59 L HA 0.334 nan 4.340 nan 0.000 0.281 59 L C -2.187 174.455 176.870 -0.381 0.000 1.018 59 L CA -1.490 53.254 54.840 -0.160 0.000 0.841 59 L CB 2.296 44.276 42.059 -0.132 0.000 1.218 59 L HN 0.699 8.867 8.230 -0.103 0.000 0.424 60 D N 6.688 126.955 120.400 -0.222 0.000 2.383 60 D HA 0.116 nan 4.640 nan 0.000 0.252 60 D C 0.557 176.697 176.300 -0.266 0.000 1.166 60 D CA 0.054 53.918 54.000 -0.227 0.000 0.879 60 D CB 1.204 41.949 40.800 -0.092 0.000 1.164 60 D HN 0.306 8.606 8.370 -0.117 0.000 0.462 61 G N 3.689 112.221 108.800 -0.448 0.000 2.744 61 G HA2 -0.054 nan 3.960 nan 0.000 0.211 61 G HA3 -0.054 nan 3.960 nan 0.000 0.211 61 G C 0.260 175.150 174.900 -0.017 0.000 1.143 61 G CA -0.043 44.772 45.100 -0.476 0.000 0.788 61 G HN 0.190 8.245 8.290 -0.392 0.000 0.534 62 I N -0.371 120.221 120.570 0.036 0.000 4.907 62 I HA -0.684 nan 4.170 nan 0.000 0.038 62 I C -1.219 174.951 176.117 0.089 0.000 0.635 62 I CA 2.109 63.463 61.300 0.089 0.000 0.208 62 I CB -2.071 36.018 38.000 0.148 0.000 0.321 62 I HN 0.073 8.532 8.210 -0.032 -0.267 0.150 63 D N 0.964 121.444 120.400 0.132 0.000 2.525 63 D HA 0.091 nan 4.640 nan 0.000 0.229 63 D C -0.689 175.607 176.300 -0.007 0.000 1.202 63 D CA -1.229 52.838 54.000 0.112 0.000 0.828 63 D CB -0.819 40.128 40.800 0.244 0.000 1.008 63 D HN -0.072 8.402 8.370 0.173 0.000 0.493 64 c N -0.235 118.325 118.600 -0.066 0.000 2.351 64 c HA 0.452 nan 4.570 nan 0.000 0.326 64 c C -0.393 173.601 174.090 -0.160 0.000 1.272 64 c CA -0.592 55.608 56.329 -0.215 0.000 1.650 64 c CB 0.886 43.208 42.510 -0.314 0.000 2.257 64 c HN -0.128 7.905 8.230 -0.012 0.189 0.505 65 T N 3.054 117.523 114.554 -0.142 0.000 2.882 65 T HA 0.290 nan 4.350 nan 0.000 0.287 65 T C 0.928 175.412 174.700 -0.360 0.000 1.014 65 T CA -1.181 60.829 62.100 -0.149 0.000 1.049 65 T CB 2.119 70.952 68.868 -0.057 0.000 1.001 65 T HN 0.291 8.453 8.240 -0.130 0.000 0.525 66 L N 4.550 125.358 121.223 -0.691 0.000 2.013 66 L HA -0.234 nan 4.340 nan 0.000 0.212 66 L C 1.258 177.742 176.870 -0.644 0.000 1.073 66 L CA 3.377 57.564 54.840 -1.088 0.000 0.753 66 L CB -0.001 41.227 42.059 -1.385 0.000 0.890 66 L HN 0.026 8.141 8.230 -0.615 -0.254 0.432 67 I N -2.375 117.903 120.570 -0.485 0.000 2.208 67 I HA -0.535 nan 4.170 nan 0.000 0.245 67 I C 1.847 177.766 176.117 -0.331 0.000 1.097 67 I CA 3.316 64.363 61.300 -0.422 0.000 1.363 67 I CB -1.623 36.140 38.000 -0.395 0.000 1.051 67 I HN -0.713 7.239 8.210 -0.431 0.000 0.413 68 D N -0.455 119.815 120.400 -0.216 0.000 2.178 68 D HA -0.245 nan 4.640 nan 0.000 0.202 68 D C 2.046 178.235 176.300 -0.185 0.000 0.974 68 D CA 3.583 57.485 54.000 -0.164 0.000 0.841 68 D CB -0.573 40.179 40.800 -0.080 0.000 0.953 68 D HN -0.076 8.196 8.370 -0.162 0.000 0.478 69 A N -0.184 122.486 122.820 -0.250 0.000 1.930 69 A HA -0.190 nan 4.320 nan 0.000 0.217 69 A C 1.477 178.988 177.584 -0.122 0.000 1.175 69 A CA 2.871 54.807 52.037 -0.168 0.000 0.627 69 A CB -0.423 18.391 19.000 -0.310 0.000 0.815 69 A HN -0.227 7.728 8.150 -0.325 0.000 0.443 70 L N -1.581 119.492 121.223 -0.251 0.000 1.976 70 L HA -0.256 nan 4.340 nan 0.000 0.209 70 L C 1.470 178.243 176.870 -0.161 0.000 1.071 70 L CA 2.913 57.585 54.840 -0.279 0.000 0.746 70 L CB 0.033 41.799 42.059 -0.488 0.000 0.890 70 L HN -0.304 7.632 8.230 -0.343 0.088 0.432 71 L N -5.145 115.912 121.223 -0.275 0.000 2.083 71 L HA -0.331 nan 4.340 nan 0.000 0.209 71 L C 0.921 177.749 176.870 -0.070 0.000 1.083 71 L CA 2.087 56.737 54.840 -0.316 0.000 0.752 71 L CB 0.371 41.964 42.059 -0.778 0.000 0.899 71 L HN -0.007 8.010 8.230 -0.354 0.000 0.433 72 G N -5.897 102.907 108.800 0.008 0.000 2.309 72 G HA2 -0.423 nan 3.960 nan 0.000 0.183 72 G HA3 -0.423 nan 3.960 nan 0.000 0.183 72 G C -1.179 173.810 174.900 0.148 0.000 1.063 72 G CA -0.789 44.358 45.100 0.078 0.000 0.768 72 G HN -0.142 8.098 8.290 -0.056 0.016 0.490 73 D N 2.089 122.586 120.400 0.161 0.000 2.533 73 D HA 0.038 nan 4.640 nan 0.000 0.236 73 D C -0.293 176.036 176.300 0.049 0.000 1.137 73 D CA -0.826 53.239 54.000 0.108 0.000 0.867 73 D CB 0.877 41.741 40.800 0.106 0.000 1.170 73 D HN -0.525 7.905 8.370 0.101 0.000 0.474 74 P HA -0.279 nan 4.420 nan 0.000 0.216 74 P C 1.165 178.529 177.300 0.106 0.000 1.154 74 P CA 2.539 65.682 63.100 0.072 0.000 0.865 74 P CB 0.013 31.756 31.700 0.071 0.000 0.789 75 H N -4.242 114.853 119.070 0.042 0.000 2.561 75 H HA -0.038 nan 4.556 nan 0.000 0.278 75 H C 0.692 176.055 175.328 0.058 0.000 1.014 75 H CA 2.340 58.416 56.048 0.048 0.000 1.211 75 H CB -0.964 28.827 29.762 0.048 0.000 1.365 75 H HN -0.047 8.672 8.280 0.290 -0.265 0.594 76 c N 0.199 118.689 118.600 -0.184 0.000 2.884 76 c HA 0.285 nan 4.570 nan 0.000 0.287 76 c C 0.436 174.590 174.090 0.107 0.000 1.310 76 c CA -0.902 55.405 56.329 -0.035 0.000 1.725 76 c CB -0.678 41.772 42.510 -0.099 0.000 2.060 76 c HN -0.035 7.938 8.230 -0.116 0.188 0.618 77 D N 2.133 122.557 120.400 0.039 0.000 2.309 77 D HA -0.172 nan 4.640 nan 0.000 0.212 77 D C 1.688 177.985 176.300 -0.005 0.000 0.968 77 D CA 3.531 57.554 54.000 0.039 0.000 0.882 77 D CB -0.350 40.469 40.800 0.032 0.000 0.918 77 D HN 0.073 8.297 8.370 0.029 0.163 0.503 78 V N -1.356 118.494 119.914 -0.107 0.000 2.469 78 V HA -0.300 nan 4.120 nan 0.000 0.251 78 V C 1.717 177.601 176.094 -0.349 0.000 1.064 78 V CA 2.681 64.808 62.300 -0.288 0.000 1.066 78 V CB -0.678 30.815 31.823 -0.551 0.000 0.667 78 V HN -0.290 7.805 8.190 -0.085 0.044 0.461 79 F N -3.303 116.653 119.950 0.010 0.000 2.804 79 F HA 0.060 nan 4.527 nan 0.000 0.303 79 F C -0.005 175.849 175.800 0.089 0.000 1.154 79 F CA 0.229 58.260 58.000 0.051 0.000 1.401 79 F CB -0.822 38.212 39.000 0.056 0.000 1.106 79 F HN -0.401 7.787 8.300 0.045 0.139 0.568 80 Q N -0.012 119.887 119.800 0.165 0.000 2.337 80 Q HA -0.272 nan 4.340 nan 0.000 0.270 80 Q C 0.112 176.211 176.000 0.165 0.000 1.002 80 Q CA 1.473 57.373 55.803 0.161 0.000 0.888 80 Q CB 0.030 28.828 28.738 0.101 0.000 1.222 80 Q HN -0.611 7.629 8.270 0.082 0.080 0.400 81 N N -0.880 117.941 118.700 0.202 0.000 2.708 81 N HA -0.446 nan 4.740 nan 0.000 0.251 81 N C -0.971 174.644 175.510 0.175 0.000 1.123 81 N CA 1.377 54.530 53.050 0.172 0.000 0.739 81 N CB -1.012 37.539 38.487 0.106 0.000 1.113 81 N HN 0.706 9.233 8.380 0.245 0.000 0.561 82 E N -1.980 118.376 120.200 0.260 0.000 2.342 82 E HA 0.217 nan 4.350 nan 0.000 0.257 82 E C -1.037 175.756 176.600 0.322 0.000 1.150 82 E CA -1.282 55.291 56.400 0.287 0.000 0.926 82 E CB 2.107 32.032 29.700 0.375 0.000 1.074 82 E HN -0.558 7.943 8.360 0.307 0.044 0.449 83 T N -4.386 110.339 114.554 0.284 0.000 2.883 83 T HA 0.889 nan 4.350 nan 0.000 0.301 83 T C -1.492 173.364 174.700 0.261 0.000 1.158 83 T CA -1.730 60.418 62.100 0.080 0.000 1.007 83 T CB 2.136 70.966 68.868 -0.063 0.000 1.186 83 T HN -0.150 8.257 8.240 0.279 0.000 0.499 84 W N -2.128 119.211 121.300 0.065 0.000 3.248 84 W HA 0.431 nan 4.660 nan 0.000 0.311 84 W C -2.612 173.923 176.519 0.027 0.000 1.258 84 W CA -0.634 56.738 57.345 0.045 0.000 1.191 84 W CB 1.645 31.149 29.460 0.073 0.000 1.389 84 W HN -0.140 7.634 8.180 -0.677 0.000 0.561 85 D N -1.684 118.813 120.400 0.162 0.000 2.277 85 D HA 0.178 nan 4.640 nan 0.000 0.209 85 D C -0.809 175.508 176.300 0.027 0.000 0.970 85 D CA 2.233 56.291 54.000 0.097 0.000 0.874 85 D CB 2.324 43.217 40.800 0.155 0.000 0.982 85 D HN 0.265 8.639 8.370 0.192 0.111 0.504 86 L N -2.839 118.416 121.223 0.054 0.000 2.476 86 L HA 0.389 nan 4.340 nan 0.000 0.269 86 L C -2.884 174.001 176.870 0.025 0.000 0.965 86 L CA -0.022 54.744 54.840 -0.123 0.000 0.845 86 L CB 3.317 45.086 42.059 -0.484 0.000 1.259 86 L HN -0.465 7.844 8.230 0.132 0.000 0.403 87 F N 8.679 128.467 119.950 -0.270 0.000 2.391 87 F HA 0.436 nan 4.527 nan 0.000 0.359 87 F C -1.903 173.704 175.800 -0.322 0.000 1.122 87 F CA -1.711 55.982 58.000 -0.512 0.000 1.120 87 F CB 1.539 39.903 39.000 -1.060 0.000 1.142 87 F HN 0.151 8.472 8.300 0.034 0.000 0.483 88 V N 9.154 128.911 119.914 -0.262 0.000 2.461 88 V HA 0.184 nan 4.120 nan 0.000 0.275 88 V C -1.742 174.304 176.094 -0.080 0.000 1.047 88 V CA -0.593 61.633 62.300 -0.124 0.000 0.955 88 V CB 0.148 31.891 31.823 -0.132 0.000 0.988 88 V HN 0.546 8.447 8.190 -0.482 0.000 0.471 89 E N 7.336 127.555 120.200 0.031 0.000 2.151 89 E HA 0.382 nan 4.350 nan 0.000 0.275 89 E C -1.360 175.245 176.600 0.009 0.000 0.936 89 E CA -1.181 55.255 56.400 0.059 0.000 0.777 89 E CB 2.860 32.590 29.700 0.050 0.000 1.108 89 E HN 0.651 9.020 8.360 0.016 0.000 0.401 90 R N 4.207 124.712 120.500 0.008 0.000 2.536 90 R HA 0.368 nan 4.340 nan 0.000 0.279 90 R C 1.737 178.053 176.300 0.026 0.000 1.001 90 R CA -2.840 53.268 56.100 0.013 0.000 1.027 90 R CB 1.038 31.351 30.300 0.020 0.000 1.096 90 R HN 0.631 8.907 8.270 0.011 0.000 0.502 91 S N 3.721 119.436 115.700 0.025 0.000 2.474 91 S HA -0.156 nan 4.470 nan 0.000 0.235 91 S C 0.856 175.486 174.600 0.050 0.000 0.997 91 S CA 2.879 61.095 58.200 0.028 0.000 0.949 91 S CB -0.165 63.046 63.200 0.018 0.000 0.766 91 S HN 0.566 9.226 8.310 0.020 -0.338 0.517 92 K N -0.738 119.702 120.400 0.068 0.000 2.459 92 K HA 0.057 nan 4.320 nan 0.000 0.193 92 K C -0.168 176.544 176.600 0.187 0.000 1.030 92 K CA -1.063 55.289 56.287 0.110 0.000 1.026 92 K CB -0.306 32.257 32.500 0.106 0.000 0.809 92 K HN -0.113 8.128 8.250 0.056 0.043 0.504 93 A N 0.356 123.258 122.820 0.137 0.000 2.483 93 A HA 0.004 nan 4.320 nan 0.000 0.238 93 A C -1.271 176.429 177.584 0.193 0.000 1.070 93 A CA 0.779 52.891 52.037 0.124 0.000 0.770 93 A CB 0.575 19.599 19.000 0.040 0.000 1.008 93 A HN -0.637 7.489 8.150 0.090 0.078 0.497 94 F N 0.414 120.443 119.950 0.132 0.000 2.643 94 F HA 0.384 nan 4.527 nan 0.000 0.314 94 F C -2.403 173.512 175.800 0.192 0.000 1.096 94 F CA -1.931 56.123 58.000 0.090 0.000 0.953 94 F CB 2.264 41.267 39.000 0.004 0.000 1.345 94 F HN -0.042 8.075 8.300 -0.306 0.000 0.468 95 S N -1.223 114.633 115.700 0.260 0.000 2.593 95 S HA 0.236 nan 4.470 nan 0.000 0.297 95 S C -1.740 173.053 174.600 0.322 0.000 1.112 95 S CA -0.591 57.761 58.200 0.253 0.000 1.043 95 S CB 1.750 65.104 63.200 0.258 0.000 1.054 95 S HN -0.200 8.291 8.310 0.302 0.000 0.516 96 N N 2.106 120.971 118.700 0.274 0.000 2.635 96 N HA 0.092 nan 4.740 nan 0.000 0.252 96 N C -2.714 172.873 175.510 0.127 0.000 1.589 96 N CA 0.516 53.698 53.050 0.220 0.000 0.828 96 N CB 1.034 39.689 38.487 0.280 0.000 1.403 96 N HN 0.321 9.210 8.380 0.285 -0.338 0.518 97 c N -1.717 116.934 118.600 0.086 0.000 3.251 97 c HA 0.304 nan 4.570 nan 0.000 0.376 97 c C -1.377 172.707 174.090 -0.009 0.000 1.791 97 c CA -1.598 54.692 56.329 -0.066 0.000 1.163 97 c CB 2.461 44.794 42.510 -0.296 0.000 2.128 97 c HN -0.609 7.705 8.230 0.140 0.000 0.429 98 Y N 3.069 123.228 120.300 -0.235 0.000 2.805 98 Y HA -0.021 nan 4.550 nan 0.000 0.331 98 Y C -1.403 174.603 175.900 0.176 0.000 1.241 98 Y CA -0.794 57.286 58.100 -0.033 0.000 1.546 98 Y CB -0.033 38.366 38.460 -0.101 0.000 1.248 98 Y HN 0.084 8.147 8.280 -0.362 0.000 0.559 99 P HA -0.055 nan 4.420 nan 0.000 0.261 99 P C -2.459 175.081 177.300 0.400 0.000 1.183 99 P CA 0.387 63.629 63.100 0.236 0.000 0.761 99 P CB 0.037 31.765 31.700 0.045 0.000 0.785 100 Y N 0.454 120.856 120.300 0.170 0.000 2.634 100 Y HA 0.788 nan 4.550 nan 0.000 0.340 100 Y C -2.431 173.490 175.900 0.035 0.000 1.058 100 Y CA -3.072 55.085 58.100 0.095 0.000 1.081 100 Y CB 3.495 41.956 38.460 0.002 0.000 1.295 100 Y HN -0.261 8.012 8.280 -0.012 0.000 0.487 101 D N -2.958 117.480 120.400 0.063 0.000 2.661 101 D HA 0.107 nan 4.640 nan 0.000 0.228 101 D C -2.221 174.116 176.300 0.062 0.000 1.183 101 D CA -1.335 52.628 54.000 -0.062 0.000 0.844 101 D CB 3.606 44.364 40.800 -0.069 0.000 1.555 101 D HN 0.128 8.604 8.370 0.176 0.000 0.453 102 V N 0.372 120.337 119.914 0.085 0.000 2.350 102 V HA 0.347 nan 4.120 nan 0.000 0.285 102 V C -0.558 175.524 176.094 -0.021 0.000 1.014 102 V CA -3.018 59.297 62.300 0.025 0.000 0.831 102 V CB 0.990 32.891 31.823 0.131 0.000 1.000 102 V HN 0.354 8.589 8.190 0.076 0.000 0.433 103 P HA -0.219 nan 4.420 nan 0.000 0.216 103 P C -0.311 176.989 177.300 0.000 0.000 1.167 103 P CA 2.427 65.474 63.100 -0.087 0.000 0.914 103 P CB 0.386 31.992 31.700 -0.158 0.000 0.793 104 D N -4.155 116.265 120.400 0.034 0.000 2.930 104 D HA 0.132 nan 4.640 nan 0.000 0.304 104 D C 0.089 176.454 176.300 0.108 0.000 1.298 104 D CA -2.400 51.656 54.000 0.093 0.000 0.949 104 D CB -0.865 40.016 40.800 0.134 0.000 1.013 104 D HN -0.242 8.132 8.370 0.008 0.000 0.510 105 Y N 4.699 124.977 120.300 -0.037 0.000 2.096 105 Y HA -0.642 nan 4.550 nan 0.000 0.278 105 Y C 0.109 175.963 175.900 -0.076 0.000 1.192 105 Y CA 4.282 62.344 58.100 -0.064 0.000 1.143 105 Y CB 0.095 38.512 38.460 -0.071 0.000 0.963 105 Y HN -0.448 7.886 8.280 0.189 0.060 0.505 106 A N -3.741 119.186 122.820 0.179 0.000 1.940 106 A HA -0.395 nan 4.320 nan 0.000 0.219 106 A C 2.352 179.914 177.584 -0.037 0.000 1.176 106 A CA 3.074 55.156 52.037 0.075 0.000 0.631 106 A CB -1.384 17.661 19.000 0.075 0.000 0.814 106 A HN 0.474 8.741 8.150 0.211 0.009 0.446 107 S N -0.228 115.464 115.700 -0.014 0.000 2.387 107 S HA -0.240 nan 4.470 nan 0.000 0.226 107 S C 1.771 176.232 174.600 -0.231 0.000 1.026 107 S CA 3.433 61.602 58.200 -0.050 0.000 0.972 107 S CB 0.018 63.273 63.200 0.091 0.000 0.814 107 S HN -0.666 7.920 8.310 0.043 -0.250 0.477 108 L N 2.115 123.153 121.223 -0.309 0.000 2.027 108 L HA -0.259 nan 4.340 nan 0.000 0.206 108 L C 0.706 177.273 176.870 -0.506 0.000 1.074 108 L CA 2.772 57.278 54.840 -0.556 0.000 0.745 108 L CB -0.364 41.398 42.059 -0.495 0.000 0.898 108 L HN -0.474 7.547 8.230 -0.194 0.092 0.433 109 R N -1.390 118.814 120.500 -0.493 0.000 2.105 109 R HA -0.486 nan 4.340 nan 0.000 0.239 109 R C 2.149 178.267 176.300 -0.303 0.000 1.135 109 R CA 3.784 59.616 56.100 -0.447 0.000 0.967 109 R CB -0.367 29.689 30.300 -0.406 0.000 0.861 109 R HN 0.391 8.346 8.270 -0.525 0.000 0.442 110 S N -0.569 114.991 115.700 -0.233 0.000 2.345 110 S HA -0.241 nan 4.470 nan 0.000 0.220 110 S C 2.162 176.665 174.600 -0.162 0.000 1.031 110 S CA 3.189 61.296 58.200 -0.155 0.000 0.996 110 S CB -0.184 62.951 63.200 -0.108 0.000 0.882 110 S HN -0.543 7.545 8.310 -0.230 0.085 0.445 111 L N 1.236 122.314 121.223 -0.243 0.000 2.046 111 L HA -0.306 nan 4.340 nan 0.000 0.208 111 L C 1.823 178.556 176.870 -0.228 0.000 1.077 111 L CA 2.989 57.668 54.840 -0.268 0.000 0.747 111 L CB 0.098 41.880 42.059 -0.462 0.000 0.896 111 L HN -0.137 7.915 8.230 -0.296 0.000 0.432 112 V N -1.512 118.242 119.914 -0.265 0.000 2.379 112 V HA -0.412 nan 4.120 nan 0.000 0.245 112 V C 1.615 177.730 176.094 0.034 0.000 1.044 112 V CA 4.079 66.274 62.300 -0.175 0.000 1.036 112 V CB -1.000 30.644 31.823 -0.298 0.000 0.664 112 V HN -0.026 7.958 8.190 -0.344 0.000 0.453 113 A N -1.404 121.411 122.820 -0.007 0.000 1.940 113 A HA -0.307 nan 4.320 nan 0.000 0.219 113 A C 2.156 179.888 177.584 0.248 0.000 1.176 113 A CA 3.448 55.583 52.037 0.163 0.000 0.631 113 A CB -0.576 18.417 19.000 -0.013 0.000 0.814 113 A HN 0.231 8.293 8.150 -0.147 0.000 0.446 114 S N -4.366 111.377 115.700 0.071 0.000 2.548 114 S HA -0.055 nan 4.470 nan 0.000 0.215 114 S C 1.644 176.222 174.600 -0.037 0.000 0.976 114 S CA 2.182 60.406 58.200 0.039 0.000 0.908 114 S CB -0.253 62.955 63.200 0.015 0.000 0.781 114 S HN -0.031 8.272 8.310 0.001 0.008 0.519 115 S N 2.322 117.983 115.700 -0.066 0.000 2.355 115 S HA -0.174 nan 4.470 nan 0.000 0.222 115 S C 1.564 176.008 174.600 -0.260 0.000 1.031 115 S CA 2.343 60.470 58.200 -0.121 0.000 0.993 115 S CB -0.049 63.089 63.200 -0.103 0.000 0.859 115 S HN -0.764 7.417 8.310 -0.041 0.104 0.453 116 G N 0.331 108.862 108.800 -0.448 0.000 2.157 116 G HA2 -0.366 nan 3.960 nan 0.000 0.248 116 G HA3 -0.366 nan 3.960 nan 0.000 0.248 116 G C -2.219 171.854 174.900 -1.378 0.000 0.979 116 G CA 0.557 44.937 45.100 -1.199 0.000 0.650 116 G HN -0.066 8.111 8.290 -0.189 0.000 0.529 117 T N -1.167 112.925 114.554 -0.770 0.000 2.956 117 T HA 0.497 nan 4.350 nan 0.000 0.312 117 T C -1.144 173.559 174.700 0.005 0.000 1.151 117 T CA -0.816 61.056 62.100 -0.380 0.000 1.024 117 T CB 1.569 70.322 68.868 -0.192 0.000 1.140 117 T HN -0.589 7.324 8.240 -0.490 0.033 0.473 118 L N 4.559 125.924 121.223 0.236 0.000 2.700 118 L HA 0.317 nan 4.340 nan 0.000 0.234 118 L C -0.398 176.735 176.870 0.438 0.000 1.156 118 L CA -1.012 54.070 54.840 0.403 0.000 0.946 118 L CB 0.446 42.760 42.059 0.425 0.000 1.216 118 L HN 0.624 8.991 8.230 0.228 0.000 0.493 119 E N 0.761 121.107 120.200 0.243 0.000 2.729 119 E HA -0.337 nan 4.350 nan 0.000 0.246 119 E C -1.709 174.954 176.600 0.105 0.000 0.984 119 E CA 1.388 57.865 56.400 0.129 0.000 0.951 119 E CB -0.211 29.498 29.700 0.014 0.000 0.914 119 E HN -0.645 7.740 8.360 0.158 0.070 0.509 120 F N 7.007 126.856 119.950 -0.170 0.000 2.482 120 F HA 0.541 nan 4.527 nan 0.000 0.331 120 F C -1.468 174.094 175.800 -0.397 0.000 1.115 120 F CA -1.351 56.390 58.000 -0.431 0.000 0.955 120 F CB 2.433 41.142 39.000 -0.486 0.000 1.136 120 F HN -0.169 8.516 8.300 0.127 -0.309 0.452 121 I N 8.061 127.860 120.570 -1.285 0.000 2.354 121 I HA 0.233 nan 4.170 nan 0.000 0.292 121 I C -0.965 174.483 176.117 -1.115 0.000 0.989 121 I CA -2.239 58.438 61.300 -1.039 0.000 1.188 121 I CB 1.523 38.805 38.000 -1.197 0.000 1.342 121 I HN 0.988 8.204 8.210 -1.657 0.000 0.457 122 T N 8.942 123.167 114.554 -0.548 0.000 2.856 122 T HA 0.174 nan 4.350 nan 0.000 0.292 122 T C -1.020 173.612 174.700 -0.113 0.000 0.980 122 T CA -0.168 61.771 62.100 -0.268 0.000 1.091 122 T CB 0.361 69.223 68.868 -0.010 0.000 0.936 122 T HN 0.254 8.283 8.240 -0.352 0.000 0.503 123 E N 5.701 125.921 120.200 0.034 0.000 2.221 123 E HA 0.265 nan 4.350 nan 0.000 0.268 123 E C 0.330 176.928 176.600 -0.005 0.000 0.933 123 E CA -1.246 55.151 56.400 -0.006 0.000 0.809 123 E CB 3.215 32.884 29.700 -0.053 0.000 1.190 123 E HN 0.547 8.889 8.360 0.162 0.115 0.406 124 G N 1.609 110.334 108.800 -0.124 0.000 3.213 124 G HA2 0.037 nan 3.960 nan 0.000 0.263 124 G HA3 0.037 nan 3.960 nan 0.000 0.263 124 G C -0.859 173.925 174.900 -0.193 0.000 0.829 124 G CA -0.392 44.653 45.100 -0.091 0.000 1.983 124 G HN 0.387 8.578 8.290 -0.165 0.000 0.616 125 F N 1.298 121.200 119.950 -0.081 0.000 2.529 125 F HA -0.159 nan 4.527 nan 0.000 0.365 125 F C 0.220 175.687 175.800 -0.555 0.000 1.102 125 F CA 0.924 58.716 58.000 -0.347 0.000 1.271 125 F CB 1.035 39.867 39.000 -0.282 0.000 1.120 125 F HN -0.688 7.722 8.300 0.259 0.045 0.579 126 T N 6.481 120.733 114.554 -0.504 0.000 2.801 126 T HA 0.170 nan 4.350 nan 0.000 0.306 126 T C -0.755 173.622 174.700 -0.538 0.000 1.020 126 T CA -0.443 61.412 62.100 -0.407 0.000 0.948 126 T CB -0.063 68.674 68.868 -0.219 0.000 0.962 126 T HN 0.189 8.147 8.240 -0.470 0.000 0.465 127 W N 6.727 128.059 121.300 0.054 0.000 2.367 127 W HA 0.079 nan 4.660 nan 0.000 0.329 127 W C -0.263 176.235 176.519 -0.034 0.000 1.066 127 W CA -1.490 55.856 57.345 0.001 0.000 1.435 127 W CB -0.055 29.397 29.460 -0.013 0.000 1.296 127 W HN 0.164 8.246 8.180 -0.163 0.000 0.401 128 T N -0.525 114.072 114.554 0.071 0.000 2.743 128 T HA 0.262 nan 4.350 nan 0.000 0.293 128 T C 0.605 175.307 174.700 0.003 0.000 0.945 128 T CA -0.726 61.390 62.100 0.027 0.000 1.030 128 T CB -0.190 68.675 68.868 -0.005 0.000 0.912 128 T HN 0.199 8.465 8.240 0.044 0.000 0.483 129 G N 4.529 113.320 108.800 -0.015 0.000 2.168 129 G HA2 -0.298 nan 3.960 nan 0.000 0.197 129 G HA3 -0.298 nan 3.960 nan 0.000 0.197 129 G C -2.282 172.549 174.900 -0.115 0.000 0.997 129 G CA 0.070 45.141 45.100 -0.048 0.000 0.658 129 G HN 0.522 8.812 8.290 0.001 0.000 0.513 130 V N -6.211 113.622 119.914 -0.134 0.000 3.158 130 V HA 0.756 nan 4.120 nan 0.000 0.311 130 V C -1.082 174.951 176.094 -0.101 0.000 1.181 130 V CA -3.259 58.904 62.300 -0.228 0.000 1.054 130 V CB 2.281 33.814 31.823 -0.483 0.000 1.085 130 V HN -0.750 7.404 8.190 -0.059 0.000 0.446 131 T N 4.178 118.675 114.554 -0.095 0.000 2.749 131 T HA 0.372 nan 4.350 nan 0.000 0.287 131 T C -0.675 173.973 174.700 -0.087 0.000 0.970 131 T CA -0.298 61.756 62.100 -0.077 0.000 0.980 131 T CB 0.291 69.100 68.868 -0.099 0.000 0.924 131 T HN 0.500 8.563 8.240 -0.100 0.117 0.456 132 Q N 5.856 125.631 119.800 -0.041 0.000 2.316 132 Q HA 0.119 nan 4.340 nan 0.000 0.215 132 Q C 0.180 176.142 176.000 -0.064 0.000 1.020 132 Q CA 0.646 56.429 55.803 -0.032 0.000 0.970 132 Q CB 0.970 29.743 28.738 0.058 0.000 1.187 132 Q HN 0.413 8.675 8.270 -0.013 0.000 0.546 133 N N -4.080 114.594 118.700 -0.043 0.000 2.747 133 N HA -0.392 nan 4.740 nan 0.000 0.249 133 N C -0.302 175.137 175.510 -0.119 0.000 1.107 133 N CA 0.573 53.603 53.050 -0.033 0.000 0.707 133 N CB -1.697 36.794 38.487 0.008 0.000 1.054 133 N HN 0.264 8.966 8.380 -0.028 -0.339 0.555 134 G N -1.275 107.367 108.800 -0.263 0.000 2.559 134 G HA2 -0.156 nan 3.960 nan 0.000 0.235 134 G HA3 -0.156 nan 3.960 nan 0.000 0.235 134 G C -0.814 173.928 174.900 -0.264 0.000 1.266 134 G CA 0.215 45.016 45.100 -0.498 0.000 0.847 134 G HN -0.263 7.857 8.290 -0.248 0.022 0.583 135 G N -1.772 106.931 108.800 -0.160 0.000 2.727 135 G HA2 0.510 nan 3.960 nan 0.000 0.289 135 G HA3 0.510 nan 3.960 nan 0.000 0.289 135 G C -2.169 172.903 174.900 0.285 0.000 1.418 135 G CA -0.551 44.647 45.100 0.163 0.000 0.818 135 G HN -0.222 7.874 8.290 -0.324 0.000 0.486 136 S N -2.566 113.360 115.700 0.377 0.000 2.607 136 S HA 0.281 nan 4.470 nan 0.000 0.273 136 S C -0.805 173.902 174.600 0.179 0.000 1.148 136 S CA -1.957 56.454 58.200 0.351 0.000 0.833 136 S CB 2.010 65.571 63.200 0.602 0.000 1.130 136 S HN 0.402 8.890 8.310 0.345 0.029 0.470 137 N N 1.850 120.610 118.700 0.101 0.000 2.463 137 N HA -0.049 nan 4.740 nan 0.000 0.181 137 N C 0.315 175.827 175.510 0.003 0.000 1.078 137 N CA 1.356 54.432 53.050 0.042 0.000 0.902 137 N CB -0.363 38.136 38.487 0.019 0.000 0.970 137 N HN 0.492 8.935 8.380 0.104 0.000 0.451 138 A N -2.423 120.378 122.820 -0.031 0.000 2.208 138 A HA 0.023 nan 4.320 nan 0.000 0.209 138 A C -0.577 176.985 177.584 -0.037 0.000 1.161 138 A CA 0.755 52.738 52.037 -0.091 0.000 0.782 138 A CB 0.257 19.114 19.000 -0.237 0.000 0.816 138 A HN -0.400 7.709 8.150 -0.013 0.034 0.477 139 c N -1.265 117.345 118.600 0.016 0.000 3.273 139 c HA 0.284 nan 4.570 nan 0.000 0.227 139 c C -1.467 172.644 174.090 0.035 0.000 1.409 139 c CA -1.966 54.358 56.329 -0.008 0.000 1.516 139 c CB -0.969 41.500 42.510 -0.068 0.000 1.853 139 c HN -0.599 7.485 8.230 0.061 0.182 0.472 140 K N 3.270 123.692 120.400 0.035 0.000 2.416 140 K HA -0.155 nan 4.320 nan 0.000 0.283 140 K C -1.064 175.566 176.600 0.050 0.000 1.037 140 K CA 0.169 56.483 56.287 0.045 0.000 0.995 140 K CB 0.224 32.747 32.500 0.038 0.000 0.938 140 K HN 0.095 8.362 8.250 0.027 0.000 0.475 141 R N 7.776 128.309 120.500 0.055 0.000 2.320 141 R HA 0.101 nan 4.340 nan 0.000 0.319 141 R C -0.187 176.143 176.300 0.049 0.000 0.969 141 R CA -1.224 54.909 56.100 0.055 0.000 0.857 141 R CB 0.788 31.125 30.300 0.061 0.000 1.160 141 R HN 0.017 8.206 8.270 0.056 0.115 0.491 142 G N 8.457 117.286 108.800 0.048 0.000 2.565 142 G HA2 -0.356 nan 3.960 nan 0.000 0.295 142 G HA3 -0.356 nan 3.960 nan 0.000 0.295 142 G C -1.526 173.395 174.900 0.036 0.000 1.165 142 G CA 0.511 45.636 45.100 0.041 0.000 0.977 142 G HN 0.202 8.523 8.290 0.053 0.000 0.546 143 P HA 0.012 nan 4.420 nan 0.000 0.219 143 P C -0.588 176.729 177.300 0.028 0.000 1.154 143 P CA 0.567 63.683 63.100 0.027 0.000 0.826 143 P CB 0.663 32.377 31.700 0.023 0.000 0.795 144 G N -1.484 107.335 108.800 0.032 0.000 2.557 144 G HA2 0.095 nan 3.960 nan 0.000 0.292 144 G HA3 0.095 nan 3.960 nan 0.000 0.292 144 G C -0.778 174.148 174.900 0.043 0.000 1.237 144 G CA -1.683 43.437 45.100 0.034 0.000 0.978 144 G HN -0.669 7.603 8.290 0.034 0.039 0.498 145 S N 0.112 115.840 115.700 0.047 0.000 2.603 145 S HA 0.269 nan 4.470 nan 0.000 0.268 145 S C -0.547 174.107 174.600 0.090 0.000 1.317 145 S CA 0.979 59.220 58.200 0.068 0.000 1.012 145 S CB 0.730 63.967 63.200 0.062 0.000 0.926 145 S HN 0.171 8.503 8.310 0.037 0.000 0.539 146 G N 0.125 109.005 108.800 0.133 0.000 2.650 146 G HA2 0.382 nan 3.960 nan 0.000 0.310 146 G HA3 0.382 nan 3.960 nan 0.000 0.310 146 G C -3.292 171.781 174.900 0.288 0.000 1.270 146 G CA 0.059 45.257 45.100 0.163 0.000 0.810 146 G HN 0.200 8.575 8.290 0.143 0.000 0.493 147 F N -2.718 117.222 119.950 -0.017 0.000 2.877 147 F HA 0.307 nan 4.527 nan 0.000 0.319 147 F C -2.088 173.608 175.800 -0.173 0.000 1.174 147 F CA -1.129 56.801 58.000 -0.116 0.000 0.903 147 F CB 3.447 42.498 39.000 0.084 0.000 1.357 147 F HN -0.198 8.213 8.300 0.185 0.000 0.472 148 F N 0.945 120.734 119.950 -0.269 0.000 2.612 148 F HA -0.115 nan 4.527 nan 0.000 0.389 148 F C 1.669 177.474 175.800 0.007 0.000 1.055 148 F CA 1.037 58.927 58.000 -0.182 0.000 1.232 148 F CB -0.713 38.067 39.000 -0.366 0.000 1.044 148 F HN 0.383 7.745 8.300 -1.563 0.000 0.560 149 S N 6.078 121.862 115.700 0.140 0.000 2.419 149 S HA -0.409 nan 4.470 nan 0.000 0.235 149 S C 1.414 176.044 174.600 0.050 0.000 1.019 149 S CA 2.825 61.081 58.200 0.094 0.000 0.982 149 S CB -0.065 63.161 63.200 0.044 0.000 0.789 149 S HN 0.698 8.960 8.310 0.120 0.120 0.490 150 R N -0.978 119.514 120.500 -0.013 0.000 2.334 150 R HA 0.201 nan 4.340 nan 0.000 0.216 150 R C -1.695 174.642 176.300 0.062 0.000 0.905 150 R CA -0.601 55.400 56.100 -0.165 0.000 1.064 150 R CB 0.457 30.512 30.300 -0.409 0.000 1.046 150 R HN -0.677 7.583 8.270 0.034 0.030 0.508 151 L N -2.759 118.586 121.223 0.204 0.000 2.319 151 L HA 0.437 nan 4.340 nan 0.000 0.267 151 L C -2.143 174.939 176.870 0.353 0.000 1.011 151 L CA -1.426 53.581 54.840 0.278 0.000 0.818 151 L CB 2.951 45.188 42.059 0.297 0.000 1.316 151 L HN -0.463 7.817 8.230 0.259 0.106 0.432 152 N N -0.242 118.599 118.700 0.235 0.000 2.531 152 N HA 0.249 nan 4.740 nan 0.000 0.268 152 N C -2.068 173.459 175.510 0.029 0.000 1.023 152 N CA -1.185 51.943 53.050 0.130 0.000 0.896 152 N CB 1.842 40.375 38.487 0.077 0.000 1.233 152 N HN 0.264 8.749 8.380 0.176 0.000 0.512 153 W N 7.049 128.160 121.300 -0.315 0.000 2.419 153 W HA 0.224 nan 4.660 nan 0.000 0.312 153 W C -2.059 174.301 176.519 -0.265 0.000 1.323 153 W CA -1.743 55.344 57.345 -0.429 0.000 1.293 153 W CB 0.045 28.936 29.460 -0.949 0.000 1.324 153 W HN 0.480 8.627 8.180 -0.054 0.000 0.512 154 L N 8.531 129.855 121.223 0.169 0.000 2.317 154 L HA 0.590 nan 4.340 nan 0.000 0.281 154 L C -1.207 175.846 176.870 0.305 0.000 1.024 154 L CA -0.880 53.995 54.840 0.059 0.000 0.810 154 L CB 0.980 43.005 42.059 -0.057 0.000 1.240 154 L HN -0.374 8.041 8.230 0.308 0.000 0.427 155 T N -2.598 112.024 114.554 0.112 0.000 2.858 155 T HA 0.676 nan 4.350 nan 0.000 0.285 155 T C -0.466 174.380 174.700 0.243 0.000 1.052 155 T CA -2.339 59.867 62.100 0.176 0.000 1.009 155 T CB 2.791 71.502 68.868 -0.262 0.000 1.241 155 T HN 0.502 8.716 8.240 -0.044 0.000 0.542 156 K N -0.729 119.823 120.400 0.255 0.000 2.336 156 K HA 0.105 nan 4.320 nan 0.000 0.262 156 K C -0.150 176.466 176.600 0.026 0.000 0.992 156 K CA 0.472 56.889 56.287 0.218 0.000 0.927 156 K CB 0.309 32.903 32.500 0.156 0.000 0.956 156 K HN 0.300 8.615 8.250 0.107 0.000 0.495 157 S N 2.778 118.478 115.700 -0.001 0.000 2.456 157 S HA 0.235 nan 4.470 nan 0.000 0.316 157 S C 0.487 175.085 174.600 -0.003 0.000 1.089 157 S CA -0.956 57.232 58.200 -0.021 0.000 1.101 157 S CB 0.433 63.610 63.200 -0.037 0.000 0.995 157 S HN -0.133 8.180 8.310 0.005 0.000 0.468 158 G N 8.308 117.103 108.800 -0.009 0.000 2.815 158 G HA2 -0.471 nan 3.960 nan 0.000 0.326 158 G HA3 -0.471 nan 3.960 nan 0.000 0.326 158 G C -0.593 174.311 174.900 0.007 0.000 1.191 158 G CA 2.115 47.213 45.100 -0.003 0.000 0.965 158 G HN 0.502 8.781 8.290 -0.019 0.000 0.564 159 S N 3.990 119.701 115.700 0.018 0.000 2.855 159 S HA 0.257 nan 4.470 nan 0.000 0.249 159 S C -1.052 173.577 174.600 0.049 0.000 1.033 159 S CA -0.535 57.681 58.200 0.028 0.000 1.038 159 S CB 1.378 64.591 63.200 0.020 0.000 0.960 159 S HN -0.104 8.216 8.310 0.016 0.000 0.548 160 T N 0.791 115.384 114.554 0.064 0.000 2.923 160 T HA 0.333 nan 4.350 nan 0.000 0.311 160 T C -2.894 171.901 174.700 0.159 0.000 1.183 160 T CA -0.346 61.814 62.100 0.099 0.000 1.020 160 T CB 2.752 71.659 68.868 0.065 0.000 1.165 160 T HN -0.297 7.973 8.240 0.051 0.000 0.482 161 Y N 3.117 123.447 120.300 0.049 0.000 2.338 161 Y HA 0.398 nan 4.550 nan 0.000 0.328 161 Y C -2.503 173.433 175.900 0.060 0.000 0.965 161 Y CA -3.499 54.642 58.100 0.068 0.000 1.208 161 Y CB 2.013 40.537 38.460 0.106 0.000 1.132 161 Y HN 0.362 8.798 8.280 0.260 0.000 0.469 162 P HA 0.030 nan 4.420 nan 0.000 0.293 162 P C -1.599 175.791 177.300 0.151 0.000 1.298 162 P CA -0.798 62.362 63.100 0.100 0.000 0.757 162 P CB 0.884 32.601 31.700 0.028 0.000 1.262 163 V N -0.940 119.035 119.914 0.103 0.000 2.368 163 V HA 0.028 nan 4.120 nan 0.000 0.266 163 V C -0.139 176.011 176.094 0.094 0.000 1.045 163 V CA -0.522 61.842 62.300 0.107 0.000 0.899 163 V CB -0.321 31.544 31.823 0.069 0.000 1.006 163 V HN -0.072 8.161 8.190 0.073 0.000 0.470 164 L N 8.642 129.943 121.223 0.129 0.000 2.416 164 L HA 0.050 nan 4.340 nan 0.000 0.272 164 L C -0.629 176.306 176.870 0.108 0.000 1.161 164 L CA 0.326 55.255 54.840 0.148 0.000 0.845 164 L CB 0.846 43.053 42.059 0.247 0.000 1.119 164 L HN 0.671 9.005 8.230 0.172 0.000 0.464 165 N N 3.274 122.020 118.700 0.075 0.000 2.653 165 N HA 0.241 nan 4.740 nan 0.000 0.261 165 N C -1.511 174.002 175.510 0.004 0.000 1.216 165 N CA -0.106 52.963 53.050 0.032 0.000 0.784 165 N CB 1.236 39.730 38.487 0.012 0.000 1.327 165 N HN -0.117 8.305 8.380 0.070 0.000 0.539 166 V N 0.268 120.184 119.914 0.004 0.000 3.113 166 V HA 0.764 nan 4.120 nan 0.000 0.316 166 V C -2.627 173.449 176.094 -0.029 0.000 1.125 166 V CA -2.547 59.720 62.300 -0.055 0.000 1.026 166 V CB 4.412 36.133 31.823 -0.169 0.000 1.080 166 V HN 0.606 8.819 8.190 0.038 0.000 0.444 167 T N 1.310 115.832 114.554 -0.054 0.000 2.894 167 T HA 0.575 nan 4.350 nan 0.000 0.309 167 T C -2.013 172.628 174.700 -0.100 0.000 1.208 167 T CA 0.120 62.189 62.100 -0.053 0.000 1.016 167 T CB 1.575 70.407 68.868 -0.061 0.000 1.192 167 T HN -0.123 8.060 8.240 -0.095 0.000 0.491 168 M N 5.267 124.813 119.600 -0.090 0.000 2.182 168 M HA 0.605 nan 4.480 nan 0.000 0.266 168 M C -3.065 173.195 176.300 -0.067 0.000 0.989 168 M CA -2.661 52.554 55.300 -0.142 0.000 1.003 168 M CB 4.050 36.524 32.600 -0.210 0.000 1.812 168 M HN 0.470 8.725 8.290 -0.058 0.000 0.472 169 P HA 0.270 nan 4.420 nan 0.000 0.279 169 P C -1.759 175.499 177.300 -0.071 0.000 1.239 169 P CA -0.953 62.110 63.100 -0.061 0.000 0.789 169 P CB 0.547 32.205 31.700 -0.070 0.000 0.933 170 N N 1.935 120.588 118.700 -0.078 0.000 2.437 170 N HA 0.059 nan 4.740 nan 0.000 0.243 170 N C -0.201 175.206 175.510 -0.172 0.000 1.041 170 N CA -1.036 51.923 53.050 -0.152 0.000 0.940 170 N CB 0.728 39.124 38.487 -0.152 0.000 1.133 170 N HN 0.236 8.477 8.380 -0.058 0.105 0.506 171 N N 5.050 123.630 118.700 -0.200 0.000 2.184 171 N HA 0.060 nan 4.740 nan 0.000 0.206 171 N C -0.493 174.892 175.510 -0.208 0.000 1.151 171 N CA 0.143 53.095 53.050 -0.164 0.000 0.878 171 N CB 1.826 40.245 38.487 -0.113 0.000 1.014 171 N HN 0.357 8.597 8.380 -0.234 0.000 0.512 172 D N 0.472 120.652 120.400 -0.367 0.000 2.506 172 D HA 0.189 nan 4.640 nan 0.000 0.272 172 D C -1.058 174.977 176.300 -0.441 0.000 1.214 172 D CA -0.683 53.035 54.000 -0.469 0.000 1.067 172 D CB 0.806 41.013 40.800 -0.987 0.000 1.117 172 D HN -0.421 7.876 8.370 -0.451 -0.197 0.578 173 N N -1.743 116.763 118.700 -0.322 0.000 2.320 173 N HA 0.025 nan 4.740 nan 0.000 0.237 173 N C -1.596 173.887 175.510 -0.045 0.000 1.129 173 N CA -0.019 52.953 53.050 -0.129 0.000 0.854 173 N CB -0.309 38.179 38.487 0.001 0.000 1.083 173 N HN 0.267 8.498 8.380 -0.249 0.000 0.504 174 F N -3.502 116.429 119.950 -0.031 0.000 2.629 174 F HA 0.217 nan 4.527 nan 0.000 0.316 174 F C -1.881 173.892 175.800 -0.046 0.000 1.081 174 F CA -2.257 55.729 58.000 -0.024 0.000 0.954 174 F CB 2.266 41.261 39.000 -0.008 0.000 1.337 174 F HN -0.898 6.749 8.300 -0.967 0.073 0.474 175 D N -0.118 120.412 120.400 0.218 0.000 2.339 175 D HA 0.136 nan 4.640 nan 0.000 0.245 175 D C -0.621 175.783 176.300 0.174 0.000 1.115 175 D CA -0.031 54.042 54.000 0.123 0.000 0.917 175 D CB 1.106 41.978 40.800 0.121 0.000 1.192 175 D HN 0.148 8.664 8.370 0.243 0.000 0.428 176 K N -0.581 119.838 120.400 0.031 0.000 2.292 176 K HA 0.678 nan 4.320 nan 0.000 0.257 176 K C -1.515 175.107 176.600 0.036 0.000 0.940 176 K CA -1.186 55.054 56.287 -0.080 0.000 0.811 176 K CB 2.857 35.078 32.500 -0.463 0.000 1.120 176 K HN 0.164 8.433 8.250 0.032 0.000 0.428 177 L N 5.278 126.584 121.223 0.139 0.000 2.265 177 L HA 0.541 nan 4.340 nan 0.000 0.289 177 L C -2.183 174.865 176.870 0.297 0.000 1.033 177 L CA -1.056 53.938 54.840 0.256 0.000 0.814 177 L CB 1.784 43.990 42.059 0.246 0.000 1.203 177 L HN 0.298 8.665 8.230 0.227 0.000 0.423 178 Y N 7.269 127.873 120.300 0.507 0.000 2.331 178 Y HA 0.287 nan 4.550 nan 0.000 0.338 178 Y C -1.117 175.116 175.900 0.555 0.000 0.976 178 Y CA -1.186 57.249 58.100 0.557 0.000 1.137 178 Y CB 2.080 40.850 38.460 0.517 0.000 1.172 178 Y HN 1.000 9.649 8.280 0.616 0.000 0.478 179 I N 4.841 125.790 120.570 0.631 0.000 2.353 179 I HA 0.374 nan 4.170 nan 0.000 0.293 179 I C -0.737 175.613 176.117 0.387 0.000 0.992 179 I CA -1.794 59.721 61.300 0.358 0.000 1.268 179 I CB 0.106 38.247 38.000 0.235 0.000 1.387 179 I HN 0.416 9.046 8.210 0.700 0.000 0.478 180 W N 2.335 123.752 121.300 0.196 0.000 3.179 180 W HA 0.762 nan 4.660 nan 0.000 0.372 180 W C -2.636 173.947 176.519 0.107 0.000 1.137 180 W CA -1.583 55.835 57.345 0.120 0.000 1.100 180 W CB 1.677 31.193 29.460 0.093 0.000 1.503 180 W HN 0.580 8.559 8.180 -0.335 0.000 0.601 181 G N -3.496 105.574 108.800 0.450 0.000 2.548 181 G HA2 0.638 nan 3.960 nan 0.000 0.301 181 G HA3 0.638 nan 3.960 nan 0.000 0.301 181 G C -3.503 171.563 174.900 0.277 0.000 1.349 181 G CA 0.111 45.362 45.100 0.252 0.000 0.792 181 G HN -0.009 8.620 8.290 0.565 0.000 0.481 182 I N -1.549 119.095 120.570 0.124 0.000 2.769 182 I HA 0.676 nan 4.170 nan 0.000 0.298 182 I C -2.502 173.507 176.117 -0.180 0.000 1.128 182 I CA -2.418 58.862 61.300 -0.034 0.000 1.031 182 I CB 4.066 42.041 38.000 -0.043 0.000 1.235 182 I HN -0.131 8.136 8.210 0.094 0.000 0.423 183 H N 8.557 127.428 119.070 -0.331 0.000 2.519 183 H HA 0.322 nan 4.556 nan 0.000 0.316 183 H C -1.369 173.821 175.328 -0.231 0.000 1.065 183 H CA -1.857 54.027 56.048 -0.274 0.000 1.264 183 H CB 1.828 31.490 29.762 -0.166 0.000 1.413 183 H HN 0.295 8.369 8.280 -0.178 0.100 0.465 184 H N 8.173 127.093 119.070 -0.251 0.000 2.690 184 H HA 0.359 nan 4.556 nan 0.000 0.289 184 H C -2.115 172.996 175.328 -0.362 0.000 1.089 184 H CA -2.073 53.854 56.048 -0.202 0.000 1.299 184 H CB 0.464 30.185 29.762 -0.069 0.000 1.405 184 H HN 0.596 8.735 8.280 -0.235 0.000 0.463 185 P HA 0.100 nan 4.420 nan 0.000 0.274 185 P C -0.218 177.105 177.300 0.037 0.000 1.237 185 P CA -0.180 62.874 63.100 -0.077 0.000 0.793 185 P CB 0.944 32.703 31.700 0.099 0.000 0.977 186 S N -0.105 115.644 115.700 0.083 0.000 2.395 186 S HA -0.072 nan 4.470 nan 0.000 0.225 186 S C -0.690 173.957 174.600 0.079 0.000 1.027 186 S CA 2.938 61.189 58.200 0.085 0.000 0.965 186 S CB 0.837 64.100 63.200 0.106 0.000 0.812 186 S HN 0.205 9.033 8.310 0.117 -0.447 0.482 187 T N -5.466 109.140 114.554 0.087 0.000 2.903 187 T HA 0.312 nan 4.350 nan 0.000 0.299 187 T C 0.137 174.883 174.700 0.076 0.000 1.093 187 T CA -2.073 60.072 62.100 0.075 0.000 1.002 187 T CB 3.428 72.340 68.868 0.073 0.000 1.127 187 T HN -0.912 7.389 8.240 0.102 0.000 0.488 188 N N 2.797 121.534 118.700 0.063 0.000 2.137 188 N HA -0.494 nan 4.740 nan 0.000 0.190 188 N C 1.747 177.295 175.510 0.063 0.000 1.017 188 N CA 4.234 57.321 53.050 0.062 0.000 0.859 188 N CB -0.307 38.209 38.487 0.048 0.000 1.002 188 N HN 0.558 8.971 8.380 0.055 0.000 0.428 189 Q N 0.122 119.956 119.800 0.057 0.000 2.061 189 Q HA -0.282 nan 4.340 nan 0.000 0.204 189 Q C 1.684 177.717 176.000 0.056 0.000 0.984 189 Q CA 3.365 59.198 55.803 0.050 0.000 0.846 189 Q CB -0.489 28.277 28.738 0.047 0.000 0.902 189 Q HN 0.258 8.543 8.270 0.056 0.018 0.421 190 E N -0.428 119.819 120.200 0.079 0.000 2.085 190 E HA -0.464 nan 4.350 nan 0.000 0.194 190 E C 1.980 178.640 176.600 0.100 0.000 0.994 190 E CA 3.077 59.537 56.400 0.099 0.000 0.801 190 E CB -0.242 29.548 29.700 0.149 0.000 0.743 190 E HN -0.527 7.810 8.360 0.083 0.073 0.453 191 Q N -0.968 118.912 119.800 0.133 0.000 2.030 191 Q HA -0.347 nan 4.340 nan 0.000 0.204 191 Q C 2.352 178.418 176.000 0.109 0.000 0.986 191 Q CA 3.124 59.041 55.803 0.189 0.000 0.843 191 Q CB -0.279 28.551 28.738 0.155 0.000 0.904 191 Q HN -0.122 8.221 8.270 0.121 0.000 0.420 192 T N -3.783 110.809 114.554 0.062 0.000 2.985 192 T HA -0.117 nan 4.350 nan 0.000 0.266 192 T C 2.919 177.614 174.700 -0.008 0.000 1.076 192 T CA 3.313 65.434 62.100 0.035 0.000 1.135 192 T CB -1.017 67.873 68.868 0.036 0.000 0.890 192 T HN -0.128 8.150 8.240 0.064 0.000 0.480 193 S N 3.945 119.630 115.700 -0.025 0.000 2.355 193 S HA -0.293 nan 4.470 nan 0.000 0.222 193 S C 1.524 176.038 174.600 -0.144 0.000 1.031 193 S CA 3.891 62.056 58.200 -0.057 0.000 0.993 193 S CB -0.052 63.124 63.200 -0.041 0.000 0.859 193 S HN 0.068 8.378 8.310 -0.000 0.000 0.453 194 L N -1.059 119.993 121.223 -0.284 0.000 2.102 194 L HA -0.166 nan 4.340 nan 0.000 0.202 194 L C 1.518 178.006 176.870 -0.637 0.000 1.076 194 L CA 3.106 57.577 54.840 -0.615 0.000 0.761 194 L CB 0.585 41.985 42.059 -1.099 0.000 0.921 194 L HN -0.079 8.020 8.230 -0.220 0.000 0.444 195 Y N -6.843 113.435 120.300 -0.036 0.000 2.481 195 Y HA 0.047 nan 4.550 nan 0.000 0.247 195 Y C 0.775 176.609 175.900 -0.109 0.000 1.151 195 Y CA 0.344 58.317 58.100 -0.211 0.000 1.238 195 Y CB -0.367 37.890 38.460 -0.338 0.000 1.179 195 Y HN 0.341 8.427 8.280 -0.323 0.000 0.524 196 V N -2.793 117.152 119.914 0.051 0.000 0.565 196 V HA -0.640 nan 4.120 nan 0.000 0.092 196 V C 0.535 176.665 176.094 0.060 0.000 1.978 196 V CA 2.870 65.206 62.300 0.060 0.000 3.460 196 V CB -1.237 30.639 31.823 0.089 0.000 0.751 196 V HN -0.537 7.564 8.190 0.004 0.092 0.781 197 Q N -0.319 119.515 119.800 0.058 0.000 2.333 197 Q HA -0.063 nan 4.340 nan 0.000 0.299 197 Q C -0.291 175.737 176.000 0.048 0.000 1.067 197 Q CA 0.192 56.021 55.803 0.044 0.000 0.943 197 Q CB 0.503 29.256 28.738 0.024 0.000 1.233 197 Q HN -0.199 8.058 8.270 0.060 0.049 0.401 198 A N 2.658 125.503 122.820 0.041 0.000 2.235 198 A HA -0.028 nan 4.320 nan 0.000 0.208 198 A C -0.778 176.829 177.584 0.039 0.000 1.172 198 A CA 1.262 53.326 52.037 0.044 0.000 0.786 198 A CB 0.162 19.184 19.000 0.037 0.000 0.804 198 A HN 0.250 8.422 8.150 0.036 0.000 0.479 199 S N -3.312 112.403 115.700 0.024 0.000 2.706 199 S HA 0.144 nan 4.470 nan 0.000 0.270 199 S C -0.725 173.865 174.600 -0.017 0.000 1.163 199 S CA -0.560 57.646 58.200 0.011 0.000 1.042 199 S CB 0.572 63.779 63.200 0.012 0.000 1.079 199 S HN -0.830 7.437 8.310 0.021 0.057 0.474 200 G N 2.683 111.452 108.800 -0.052 0.000 2.563 200 G HA2 0.327 nan 3.960 nan 0.000 0.283 200 G HA3 0.327 nan 3.960 nan 0.000 0.283 200 G C -1.944 172.904 174.900 -0.086 0.000 1.309 200 G CA -0.658 44.373 45.100 -0.114 0.000 1.022 200 G HN 0.047 8.312 8.290 -0.042 0.000 0.501 201 R N -2.073 118.366 120.500 -0.102 0.000 2.633 201 R HA 0.300 nan 4.340 nan 0.000 0.255 201 R C -2.294 173.951 176.300 -0.093 0.000 1.106 201 R CA 0.270 56.324 56.100 -0.076 0.000 0.959 201 R CB 3.215 33.485 30.300 -0.050 0.000 1.259 201 R HN -0.365 7.821 8.270 -0.140 0.000 0.453 202 V N 5.414 125.267 119.914 -0.101 0.000 2.588 202 V HA 0.717 nan 4.120 nan 0.000 0.304 202 V C -1.957 174.029 176.094 -0.179 0.000 1.042 202 V CA -1.103 61.108 62.300 -0.149 0.000 0.877 202 V CB 3.159 34.899 31.823 -0.139 0.000 0.996 202 V HN 0.634 8.772 8.190 -0.087 0.000 0.425 203 T N 9.093 123.520 114.554 -0.210 0.000 2.840 203 T HA 0.648 nan 4.350 nan 0.000 0.287 203 T C -2.115 172.407 174.700 -0.296 0.000 0.991 203 T CA -0.554 61.427 62.100 -0.199 0.000 0.964 203 T CB 1.628 70.425 68.868 -0.117 0.000 0.954 203 T HN 0.362 8.480 8.240 -0.204 0.000 0.438 204 V N 6.827 126.529 119.914 -0.355 0.000 2.540 204 V HA 0.879 nan 4.120 nan 0.000 0.302 204 V C -2.125 173.862 176.094 -0.179 0.000 1.035 204 V CA -1.534 60.526 62.300 -0.401 0.000 0.873 204 V CB 2.747 34.082 31.823 -0.812 0.000 0.992 204 V HN 0.705 8.731 8.190 -0.275 0.000 0.428 205 S N 5.212 120.837 115.700 -0.125 0.000 2.570 205 S HA 0.796 nan 4.470 nan 0.000 0.270 205 S C -1.555 173.024 174.600 -0.035 0.000 1.149 205 S CA -1.260 56.905 58.200 -0.059 0.000 0.837 205 S CB 3.189 66.355 63.200 -0.057 0.000 1.124 205 S HN 0.435 8.658 8.310 -0.145 0.000 0.465 206 T N -3.466 111.084 114.554 -0.007 0.000 2.762 206 T HA 0.619 nan 4.350 nan 0.000 0.272 206 T C 0.911 175.609 174.700 -0.002 0.000 0.982 206 T CA -2.113 59.990 62.100 0.004 0.000 1.013 206 T CB 2.516 71.405 68.868 0.035 0.000 1.309 206 T HN 0.430 8.668 8.240 -0.003 0.000 0.572 207 R N -0.666 119.834 120.500 0.001 0.000 2.115 207 R HA -0.176 nan 4.340 nan 0.000 0.230 207 R C 1.773 178.075 176.300 0.002 0.000 1.111 207 R CA 2.760 58.858 56.100 -0.002 0.000 0.976 207 R CB 0.298 30.596 30.300 -0.003 0.000 0.870 207 R HN 0.312 9.050 8.270 0.004 -0.466 0.445 208 R N -3.322 117.184 120.500 0.011 0.000 2.254 208 R HA -0.011 nan 4.340 nan 0.000 0.195 208 R C -0.058 176.249 176.300 0.012 0.000 0.957 208 R CA 0.993 57.102 56.100 0.014 0.000 1.024 208 R CB 0.713 31.028 30.300 0.025 0.000 0.952 208 R HN -0.227 8.178 8.270 0.016 -0.126 0.484 209 S N -2.897 112.809 115.700 0.009 0.000 2.672 209 S HA 0.267 nan 4.470 nan 0.000 0.271 209 S C -2.263 172.334 174.600 -0.006 0.000 1.171 209 S CA -0.911 57.291 58.200 0.003 0.000 0.817 209 S CB 2.388 65.592 63.200 0.008 0.000 1.150 209 S HN -0.562 7.753 8.310 0.008 0.000 0.478 210 Q N -3.652 116.141 119.800 -0.013 0.000 2.479 210 Q HA 0.546 nan 4.340 nan 0.000 0.276 210 Q C -1.847 174.140 176.000 -0.022 0.000 0.989 210 Q CA -0.359 55.430 55.803 -0.025 0.000 0.864 210 Q CB 3.341 32.060 28.738 -0.031 0.000 1.444 210 Q HN 0.081 8.343 8.270 -0.013 0.000 0.388 211 Q N -0.023 119.762 119.800 -0.026 0.000 2.285 211 Q HA 0.373 nan 4.340 nan 0.000 0.269 211 Q C -1.958 174.011 176.000 -0.052 0.000 1.030 211 Q CA -0.547 55.248 55.803 -0.014 0.000 0.788 211 Q CB 4.489 33.270 28.738 0.073 0.000 1.266 211 Q HN 0.495 8.735 8.270 -0.050 0.000 0.438 212 T N 5.881 120.400 114.554 -0.058 0.000 2.812 212 T HA 0.748 nan 4.350 nan 0.000 0.282 212 T C -1.005 173.651 174.700 -0.073 0.000 0.990 212 T CA -0.659 61.397 62.100 -0.073 0.000 0.960 212 T CB 0.728 69.562 68.868 -0.056 0.000 0.948 212 T HN 0.108 8.320 8.240 -0.047 0.000 0.438 213 I N 6.318 126.834 120.570 -0.090 0.000 2.530 213 I HA 0.363 nan 4.170 nan 0.000 0.297 213 I C -1.962 174.134 176.117 -0.035 0.000 1.011 213 I CA -1.593 59.660 61.300 -0.079 0.000 1.107 213 I CB 3.830 41.709 38.000 -0.200 0.000 1.285 213 I HN 0.898 9.053 8.210 -0.093 0.000 0.436 214 I N 0.107 120.682 120.570 0.008 0.000 2.530 214 I HA 0.671 nan 4.170 nan 0.000 0.297 214 I C -2.203 173.953 176.117 0.066 0.000 1.011 214 I CA -4.552 56.755 61.300 0.011 0.000 1.107 214 I CB 1.448 39.456 38.000 0.013 0.000 1.285 214 I HN -0.034 8.195 8.210 0.033 0.000 0.436 215 P HA -0.026 nan 4.420 nan 0.000 0.271 215 P C -1.901 175.546 177.300 0.245 0.000 1.233 215 P CA -0.503 62.677 63.100 0.133 0.000 0.789 215 P CB 0.711 32.404 31.700 -0.012 0.000 0.951 216 N N -0.342 118.617 118.700 0.432 0.000 2.448 216 N HA 0.279 nan 4.740 nan 0.000 0.279 216 N C -0.850 174.709 175.510 0.082 0.000 1.025 216 N CA -0.636 52.479 53.050 0.109 0.000 0.898 216 N CB 2.997 41.417 38.487 -0.113 0.000 1.303 216 N HN 0.297 9.355 8.380 1.130 0.000 0.495 217 I N 2.828 123.433 120.570 0.058 0.000 2.396 217 I HA 0.339 nan 4.170 nan 0.000 0.292 217 I C 0.016 176.152 176.117 0.032 0.000 0.999 217 I CA 0.178 61.510 61.300 0.053 0.000 1.310 217 I CB 0.659 38.693 38.000 0.057 0.000 1.404 217 I HN 0.419 8.658 8.210 0.048 0.000 0.496 218 G N 5.633 114.454 108.800 0.035 0.000 2.321 218 G HA2 -0.112 nan 3.960 nan 0.000 0.298 218 G HA3 -0.112 nan 3.960 nan 0.000 0.298 218 G C -2.830 172.093 174.900 0.038 0.000 1.385 218 G CA -0.195 44.923 45.100 0.030 0.000 0.856 218 G HN -0.031 8.286 8.290 0.044 0.000 0.584 219 S N -0.007 115.718 115.700 0.042 0.000 2.525 219 S HA 0.580 nan 4.470 nan 0.000 0.278 219 S C -0.619 174.009 174.600 0.048 0.000 1.234 219 S CA -0.599 57.637 58.200 0.059 0.000 1.058 219 S CB 1.221 64.463 63.200 0.071 0.000 0.983 219 S HN 0.010 8.341 8.310 0.036 0.000 0.495 220 R N 4.601 125.136 120.500 0.059 0.000 2.893 220 R HA 0.497 nan 4.340 nan 0.000 0.245 220 R C -2.483 173.866 176.300 0.082 0.000 1.192 220 R CA -2.770 53.358 56.100 0.047 0.000 1.077 220 R CB 0.020 30.338 30.300 0.030 0.000 1.253 220 R HN -0.450 7.865 8.270 0.074 0.000 0.505 221 P HA -0.036 nan 4.420 nan 0.000 0.268 221 P C -0.911 176.493 177.300 0.173 0.000 1.204 221 P CA -0.660 62.511 63.100 0.119 0.000 0.768 221 P CB 0.443 32.190 31.700 0.077 0.000 0.842 222 W N 4.084 125.380 121.300 -0.007 0.000 2.476 222 W HA -0.268 nan 4.660 nan 0.000 0.338 222 W C -1.787 174.722 176.519 -0.016 0.000 1.328 222 W CA 1.699 59.039 57.345 -0.009 0.000 1.300 222 W CB 0.325 29.780 29.460 -0.008 0.000 1.252 222 W HN 0.040 8.451 8.180 0.384 0.000 0.568 223 V N 9.410 129.220 119.914 -0.174 0.000 2.524 223 V HA 0.185 nan 4.120 nan 0.000 0.297 223 V C -0.224 175.681 176.094 -0.315 0.000 1.035 223 V CA -1.298 60.912 62.300 -0.149 0.000 0.867 223 V CB 2.655 34.427 31.823 -0.085 0.000 1.004 223 V HN 0.471 8.463 8.190 -0.330 0.000 0.426 224 R N 5.436 125.788 120.500 -0.246 0.000 3.405 224 R HA -0.311 nan 4.340 nan 0.000 0.258 224 R C -0.529 175.502 176.300 -0.449 0.000 1.030 224 R CA 0.830 56.779 56.100 -0.253 0.000 0.691 224 R CB -1.495 28.701 30.300 -0.174 0.000 1.093 224 R HN 0.906 9.101 8.270 -0.125 0.000 0.448 225 G N -6.444 101.831 108.800 -0.874 0.000 2.179 225 G HA2 -0.388 nan 3.960 nan 0.000 0.260 225 G HA3 -0.388 nan 3.960 nan 0.000 0.260 225 G C -1.129 172.880 174.900 -1.485 0.000 0.977 225 G CA 0.040 44.376 45.100 -1.274 0.000 0.641 225 G HN -0.139 7.532 8.290 -1.005 0.016 0.533 226 L N -1.209 119.410 121.223 -1.007 0.000 2.333 226 L HA 0.348 nan 4.340 nan 0.000 0.269 226 L C -0.350 176.315 176.870 -0.341 0.000 1.010 226 L CA -1.241 53.249 54.840 -0.582 0.000 0.818 226 L CB 2.133 43.907 42.059 -0.475 0.000 1.306 226 L HN -0.316 7.212 8.230 -0.858 0.187 0.430 227 S N 0.690 116.331 115.700 -0.098 0.000 2.559 227 S HA 0.067 nan 4.470 nan 0.000 0.226 227 S C -0.999 173.639 174.600 0.063 0.000 1.000 227 S CA 0.556 58.779 58.200 0.038 0.000 0.948 227 S CB 0.903 64.182 63.200 0.132 0.000 0.870 227 S HN 0.508 8.778 8.310 -0.067 0.000 0.497 228 S N 2.383 118.136 115.700 0.088 0.000 2.707 228 S HA 0.575 nan 4.470 nan 0.000 0.276 228 S C -0.700 174.043 174.600 0.238 0.000 1.179 228 S CA -0.194 58.104 58.200 0.163 0.000 0.992 228 S CB 1.503 64.868 63.200 0.276 0.000 1.030 228 S HN -0.382 7.906 8.310 0.048 0.051 0.554 229 R N -2.280 118.384 120.500 0.272 0.000 2.707 229 R HA 0.695 nan 4.340 nan 0.000 0.272 229 R C -2.045 174.444 176.300 0.314 0.000 1.011 229 R CA -2.221 54.070 56.100 0.319 0.000 0.893 229 R CB 4.311 34.748 30.300 0.229 0.000 1.233 229 R HN -0.026 8.348 8.270 0.173 0.000 0.464 230 I N -3.298 117.439 120.570 0.279 0.000 2.603 230 I HA 0.832 nan 4.170 nan 0.000 0.300 230 I C -1.623 174.582 176.117 0.147 0.000 1.017 230 I CA -2.433 58.942 61.300 0.125 0.000 1.098 230 I CB 2.983 40.978 38.000 -0.008 0.000 1.279 230 I HN 0.439 8.853 8.210 0.340 0.000 0.437 231 S N 2.544 118.293 115.700 0.082 0.000 2.454 231 S HA 0.644 nan 4.470 nan 0.000 0.306 231 S C -0.987 173.516 174.600 -0.162 0.000 1.100 231 S CA -1.111 57.105 58.200 0.027 0.000 1.087 231 S CB 1.717 64.999 63.200 0.137 0.000 1.019 231 S HN -0.035 8.280 8.310 0.008 0.000 0.480 232 I N 4.118 124.510 120.570 -0.296 0.000 2.396 232 I HA 0.299 nan 4.170 nan 0.000 0.292 232 I C -1.468 174.223 176.117 -0.709 0.000 0.999 232 I CA -1.336 59.733 61.300 -0.385 0.000 1.310 232 I CB -0.355 37.463 38.000 -0.304 0.000 1.404 232 I HN 0.419 8.508 8.210 -0.202 0.000 0.496 233 Y N 4.081 124.025 120.300 -0.592 0.000 2.634 233 Y HA 0.295 nan 4.550 nan 0.000 0.340 233 Y C -1.862 173.646 175.900 -0.654 0.000 1.058 233 Y CA -1.745 55.874 58.100 -0.801 0.000 1.081 233 Y CB 4.588 42.077 38.460 -1.619 0.000 1.295 233 Y HN 0.422 8.378 8.280 -0.540 0.000 0.487 234 W N -3.374 117.738 121.300 -0.314 0.000 3.107 234 W HA 0.717 nan 4.660 nan 0.000 0.331 234 W C -2.049 174.599 176.519 0.216 0.000 1.204 234 W CA -2.111 55.197 57.345 -0.061 0.000 1.184 234 W CB 3.253 32.687 29.460 -0.043 0.000 1.421 234 W HN -0.012 7.895 8.180 -0.455 0.000 0.544 235 T N 2.448 117.383 114.554 0.636 0.000 2.991 235 T HA 0.302 nan 4.350 nan 0.000 0.303 235 T C -1.833 173.204 174.700 0.561 0.000 1.015 235 T CA -0.189 62.217 62.100 0.508 0.000 1.007 235 T CB 2.563 71.763 68.868 0.553 0.000 1.034 235 T HN 0.593 9.262 8.240 0.715 0.000 0.446 236 I N 5.512 126.361 120.570 0.466 0.000 2.353 236 I HA 0.649 nan 4.170 nan 0.000 0.293 236 I C -0.710 175.580 176.117 0.288 0.000 0.992 236 I CA -0.395 61.135 61.300 0.382 0.000 1.268 236 I CB 1.666 39.881 38.000 0.359 0.000 1.387 236 I HN 0.158 8.594 8.210 0.377 0.000 0.478 237 V N 8.579 128.645 119.914 0.254 0.000 2.378 237 V HA 0.277 nan 4.120 nan 0.000 0.288 237 V C -1.179 174.967 176.094 0.086 0.000 1.016 237 V CA -1.548 60.865 62.300 0.188 0.000 0.840 237 V CB 1.350 33.340 31.823 0.280 0.000 0.994 237 V HN 0.969 9.189 8.190 0.231 0.109 0.431 238 K N 7.049 127.484 120.400 0.059 0.000 2.138 238 K HA 0.336 nan 4.320 nan 0.000 0.251 238 K C -2.341 174.237 176.600 -0.036 0.000 1.015 238 K CA -2.083 54.216 56.287 0.020 0.000 0.917 238 K CB 0.153 32.673 32.500 0.033 0.000 1.021 238 K HN 0.329 8.621 8.250 0.071 0.000 0.485 239 P HA -0.238 nan 4.420 nan 0.000 0.265 239 P C -0.551 176.702 177.300 -0.077 0.000 1.193 239 P CA 1.033 64.062 63.100 -0.118 0.000 0.765 239 P CB -0.189 31.444 31.700 -0.111 0.000 0.823 240 G N 4.091 112.837 108.800 -0.090 0.000 2.205 240 G HA2 -0.513 nan 3.960 nan 0.000 0.261 240 G HA3 -0.513 nan 3.960 nan 0.000 0.261 240 G C -0.834 174.040 174.900 -0.043 0.000 0.980 240 G CA 0.328 45.392 45.100 -0.062 0.000 0.632 240 G HN 0.239 8.357 8.290 -0.124 0.098 0.533 241 D N -0.411 119.969 120.400 -0.034 0.000 2.496 241 D HA 0.316 nan 4.640 nan 0.000 0.283 241 D C -1.622 174.669 176.300 -0.015 0.000 1.214 241 D CA -0.768 53.224 54.000 -0.014 0.000 1.089 241 D CB 2.946 43.752 40.800 0.010 0.000 1.141 241 D HN -0.546 7.731 8.370 -0.042 0.068 0.580 242 V N -1.931 117.982 119.914 -0.002 0.000 2.852 242 V HA 0.328 nan 4.120 nan 0.000 0.300 242 V C -2.041 174.049 176.094 -0.007 0.000 1.205 242 V CA -1.224 61.069 62.300 -0.011 0.000 0.940 242 V CB 3.173 34.979 31.823 -0.028 0.000 1.047 242 V HN -0.185 8.010 8.190 0.009 0.000 0.429 243 L N 9.009 130.220 121.223 -0.019 0.000 2.326 243 L HA 0.528 nan 4.340 nan 0.000 0.278 243 L C -1.748 175.084 176.870 -0.063 0.000 1.092 243 L CA -0.593 54.210 54.840 -0.061 0.000 0.810 243 L CB 2.234 44.181 42.059 -0.186 0.000 1.153 243 L HN 0.376 8.597 8.230 -0.015 0.000 0.439 244 V N 7.867 127.737 119.914 -0.073 0.000 2.483 244 V HA 0.514 nan 4.120 nan 0.000 0.297 244 V C -1.433 174.602 176.094 -0.099 0.000 1.027 244 V CA -1.129 61.132 62.300 -0.064 0.000 0.855 244 V CB 2.008 33.799 31.823 -0.054 0.000 0.995 244 V HN 0.700 8.841 8.190 -0.082 0.000 0.424 245 I N 8.037 128.563 120.570 -0.073 0.000 2.354 245 I HA 0.537 nan 4.170 nan 0.000 0.292 245 I C -2.184 173.908 176.117 -0.041 0.000 0.989 245 I CA -0.888 60.343 61.300 -0.115 0.000 1.188 245 I CB 1.655 39.627 38.000 -0.048 0.000 1.342 245 I HN 0.598 8.796 8.210 -0.021 0.000 0.457 246 N N 8.247 126.897 118.700 -0.083 0.000 2.430 246 N HA 0.507 nan 4.740 nan 0.000 0.290 246 N C -2.535 172.953 175.510 -0.036 0.000 1.063 246 N CA -0.558 52.475 53.050 -0.029 0.000 0.883 246 N CB 3.406 41.870 38.487 -0.039 0.000 1.465 246 N HN 0.531 8.815 8.380 -0.160 0.000 0.493 247 S N 3.047 118.763 115.700 0.025 0.000 2.607 247 S HA 0.543 nan 4.470 nan 0.000 0.273 247 S C -2.381 172.279 174.600 0.100 0.000 1.148 247 S CA -1.126 57.089 58.200 0.025 0.000 0.833 247 S CB 2.768 65.978 63.200 0.016 0.000 1.130 247 S HN 0.509 8.751 8.310 0.069 0.109 0.470 248 N N 2.603 121.336 118.700 0.054 0.000 2.159 248 N HA 0.368 nan 4.740 nan 0.000 0.217 248 N C -1.222 174.251 175.510 -0.062 0.000 1.223 248 N CA -1.743 51.344 53.050 0.061 0.000 0.896 248 N CB 2.761 41.252 38.487 0.008 0.000 1.064 248 N HN -0.060 8.312 8.380 -0.013 0.000 0.518 249 G N -1.605 107.053 108.800 -0.236 0.000 2.345 249 G HA2 -0.105 nan 3.960 nan 0.000 0.310 249 G HA3 -0.105 nan 3.960 nan 0.000 0.310 249 G C -2.060 172.450 174.900 -0.650 0.000 1.476 249 G CA 0.001 44.657 45.100 -0.740 0.000 0.978 249 G HN -0.345 7.886 8.290 -0.099 0.000 0.656 250 N N -5.104 112.849 118.700 -1.244 0.000 2.828 250 N HA -0.462 nan 4.740 nan 0.000 0.248 250 N C -0.925 174.329 175.510 -0.426 0.000 1.044 250 N CA 1.695 54.101 53.050 -1.073 0.000 0.851 250 N CB -0.626 37.491 38.487 -0.617 0.000 1.136 250 N HN 0.430 7.655 8.380 -1.924 0.000 0.572 251 L N -0.946 120.131 121.223 -0.244 0.000 2.397 251 L HA 0.219 nan 4.340 nan 0.000 0.271 251 L C -1.660 175.175 176.870 -0.059 0.000 1.148 251 L CA 0.905 55.681 54.840 -0.106 0.000 0.825 251 L CB 0.949 42.943 42.059 -0.108 0.000 1.117 251 L HN -0.848 7.193 8.230 -0.239 0.046 0.456 252 I N 6.305 126.864 120.570 -0.018 0.000 2.428 252 I HA 0.269 nan 4.170 nan 0.000 0.279 252 I C -1.568 174.561 176.117 0.020 0.000 1.040 252 I CA -2.486 58.823 61.300 0.016 0.000 1.171 252 I CB -1.176 36.860 38.000 0.059 0.000 1.312 252 I HN 0.117 8.351 8.210 0.041 0.000 0.470 253 A N 8.510 131.240 122.820 -0.151 0.000 2.304 253 A HA 0.528 nan 4.320 nan 0.000 0.271 253 A C -2.686 174.877 177.584 -0.036 0.000 1.091 253 A CA -2.579 49.298 52.037 -0.266 0.000 0.812 253 A CB -0.034 18.430 19.000 -0.892 0.000 1.056 253 A HN 0.637 8.671 8.150 -0.192 0.000 0.489 254 P HA 0.284 nan 4.420 nan 0.000 0.276 254 P C -0.709 176.727 177.300 0.226 0.000 1.244 254 P CA -0.275 62.945 63.100 0.200 0.000 0.801 254 P CB 0.865 32.751 31.700 0.310 0.000 1.006 255 R N -1.897 118.881 120.500 0.464 0.000 2.397 255 R HA 0.225 nan 4.340 nan 0.000 0.241 255 R C -0.615 176.070 176.300 0.642 0.000 0.914 255 R CA -0.192 56.249 56.100 0.568 0.000 1.071 255 R CB 1.099 31.704 30.300 0.508 0.000 1.116 255 R HN -0.197 8.371 8.270 0.498 0.000 0.524 256 G N -2.534 106.676 108.800 0.683 0.000 2.356 256 G HA2 0.055 nan 3.960 nan 0.000 0.266 256 G HA3 0.055 nan 3.960 nan 0.000 0.266 256 G C -3.023 172.022 174.900 0.243 0.000 1.312 256 G CA 0.103 45.408 45.100 0.342 0.000 0.922 256 G HN -0.529 8.170 8.290 0.761 0.048 0.480 257 Y N -4.598 115.466 120.300 -0.393 0.000 2.570 257 Y HA 0.975 nan 4.550 nan 0.000 0.345 257 Y C -1.971 173.716 175.900 -0.355 0.000 1.014 257 Y CA -3.548 54.336 58.100 -0.360 0.000 1.063 257 Y CB 2.452 40.584 38.460 -0.547 0.000 1.272 257 Y HN -0.239 7.492 8.280 -0.916 0.000 0.477 258 F N 0.413 120.500 119.950 0.229 0.000 2.397 258 F HA 0.523 nan 4.527 nan 0.000 0.331 258 F C -0.567 175.371 175.800 0.231 0.000 1.090 258 F CA -0.889 57.230 58.000 0.198 0.000 1.065 258 F CB 2.330 41.445 39.000 0.191 0.000 1.184 258 F HN 0.431 9.038 8.300 0.512 0.000 0.499 259 K N 0.187 120.760 120.400 0.288 0.000 2.118 259 K HA 0.579 nan 4.320 nan 0.000 0.267 259 K C -0.915 175.758 176.600 0.122 0.000 0.991 259 K CA -1.323 55.094 56.287 0.217 0.000 0.916 259 K CB 1.140 33.613 32.500 -0.046 0.000 1.041 259 K HN 0.084 8.456 8.250 0.204 0.000 0.455 260 M N 2.558 122.222 119.600 0.106 0.000 2.238 260 M HA 0.224 nan 4.480 nan 0.000 0.350 260 M C -0.608 175.694 176.300 0.003 0.000 1.138 260 M CA -0.280 55.049 55.300 0.049 0.000 1.040 260 M CB 1.304 33.945 32.600 0.069 0.000 1.639 260 M HN -0.362 8.024 8.290 0.160 0.000 0.451 261 R N 1.241 121.715 120.500 -0.043 0.000 2.943 261 R HA 0.420 nan 4.340 nan 0.000 0.246 261 R C -0.666 175.607 176.300 -0.045 0.000 1.201 261 R CA -1.674 54.395 56.100 -0.051 0.000 1.056 261 R CB 1.610 31.858 30.300 -0.087 0.000 1.243 261 R HN -0.117 8.115 8.270 -0.063 0.000 0.498 262 T N 1.634 116.166 114.554 -0.037 0.000 2.809 262 T HA 0.323 nan 4.350 nan 0.000 0.284 262 T C -1.071 173.610 174.700 -0.031 0.000 0.992 262 T CA -0.281 61.804 62.100 -0.025 0.000 0.957 262 T CB 0.576 69.440 68.868 -0.007 0.000 0.942 262 T HN 0.105 8.321 8.240 -0.039 0.000 0.439 263 G N 3.987 112.770 108.800 -0.029 0.000 2.561 263 G HA2 0.281 nan 3.960 nan 0.000 0.310 263 G HA3 0.281 nan 3.960 nan 0.000 0.310 263 G C -1.718 173.185 174.900 0.004 0.000 1.292 263 G CA 0.441 45.529 45.100 -0.022 0.000 0.811 263 G HN 0.097 8.372 8.290 -0.025 0.000 0.482 264 K N -1.486 118.932 120.400 0.031 0.000 2.520 264 K HA 0.127 nan 4.320 nan 0.000 0.205 264 K C -0.105 176.603 176.600 0.179 0.000 1.035 264 K CA 0.303 56.632 56.287 0.071 0.000 1.188 264 K CB -0.585 31.954 32.500 0.064 0.000 0.894 264 K HN 0.267 8.533 8.250 0.027 0.000 0.497 265 S N 0.189 115.955 115.700 0.111 0.000 2.610 265 S HA 0.086 nan 4.470 nan 0.000 0.273 265 S C -0.937 173.792 174.600 0.215 0.000 1.274 265 S CA 0.061 58.344 58.200 0.139 0.000 1.023 265 S CB 1.270 64.417 63.200 -0.088 0.000 0.962 265 S HN -0.454 7.803 8.310 0.038 0.075 0.523 266 S N 0.386 116.241 115.700 0.258 0.000 2.757 266 S HA 0.285 nan 4.470 nan 0.000 0.285 266 S C -2.451 172.235 174.600 0.142 0.000 1.196 266 S CA -0.853 57.467 58.200 0.201 0.000 0.856 266 S CB 2.047 65.396 63.200 0.248 0.000 1.212 266 S HN 0.222 8.676 8.310 0.241 0.000 0.516 267 I N -0.366 120.229 120.570 0.042 0.000 2.828 267 I HA 0.684 nan 4.170 nan 0.000 0.302 267 I C -2.253 173.850 176.117 -0.023 0.000 1.101 267 I CA -1.960 59.323 61.300 -0.028 0.000 1.031 267 I CB 3.971 41.896 38.000 -0.124 0.000 1.231 267 I HN -0.072 8.167 8.210 0.048 0.000 0.427 268 M N 6.778 126.364 119.600 -0.023 0.000 2.371 268 M HA 0.370 nan 4.480 nan 0.000 0.287 268 M C -2.395 173.898 176.300 -0.012 0.000 1.149 268 M CA -0.643 54.647 55.300 -0.016 0.000 0.929 268 M CB 4.315 36.901 32.600 -0.023 0.000 1.683 268 M HN 0.743 9.027 8.290 -0.009 0.000 0.470 269 R N 4.331 124.825 120.500 -0.010 0.000 2.221 269 R HA 0.546 nan 4.340 nan 0.000 0.327 269 R C -1.399 174.896 176.300 -0.007 0.000 1.033 269 R CA 0.041 56.137 56.100 -0.008 0.000 0.887 269 R CB 0.955 31.250 30.300 -0.009 0.000 1.057 269 R HN 0.350 8.615 8.270 -0.010 0.000 0.455 270 S N 3.375 119.070 115.700 -0.008 0.000 2.548 270 S HA 0.157 nan 4.470 nan 0.000 0.278 270 S C -1.418 173.179 174.600 -0.005 0.000 1.150 270 S CA -0.665 57.532 58.200 -0.005 0.000 0.907 270 S CB 2.019 65.215 63.200 -0.007 0.000 1.108 270 S HN 0.319 8.623 8.310 -0.009 0.000 0.459 271 D N 6.530 126.931 120.400 0.001 0.000 2.368 271 D HA 0.119 nan 4.640 nan 0.000 0.218 271 D C -0.199 176.103 176.300 0.004 0.000 1.112 271 D CA 0.128 54.130 54.000 0.003 0.000 0.834 271 D CB 0.273 41.078 40.800 0.008 0.000 0.953 271 D HN 0.347 8.719 8.370 0.003 0.000 0.505 272 A N 1.808 124.630 122.820 0.003 0.000 2.483 272 A HA 0.112 nan 4.320 nan 0.000 0.238 272 A C -1.949 175.636 177.584 0.002 0.000 1.070 272 A CA -0.982 51.058 52.037 0.006 0.000 0.770 272 A CB -0.424 18.581 19.000 0.010 0.000 1.008 272 A HN -0.484 7.606 8.150 0.002 0.061 0.497 273 P HA 0.051 nan 4.420 nan 0.000 0.271 273 P C -1.420 175.881 177.300 0.002 0.000 1.216 273 P CA 0.226 63.328 63.100 0.003 0.000 0.776 273 P CB 0.363 32.066 31.700 0.006 0.000 0.881 274 I N 1.944 122.512 120.570 -0.002 0.000 2.532 274 I HA 0.485 nan 4.170 nan 0.000 0.292 274 I C -0.537 175.582 176.117 0.003 0.000 1.014 274 I CA 0.178 61.478 61.300 -0.001 0.000 1.340 274 I CB 1.459 39.453 38.000 -0.010 0.000 1.422 274 I HN 0.243 8.450 8.210 -0.005 0.000 0.528 275 D N 5.207 125.612 120.400 0.008 0.000 2.626 275 D HA 0.254 nan 4.640 nan 0.000 0.278 275 D C -2.047 174.258 176.300 0.009 0.000 1.211 275 D CA -1.804 52.201 54.000 0.008 0.000 0.903 275 D CB 4.300 45.106 40.800 0.011 0.000 1.408 275 D HN 0.387 8.763 8.370 0.011 0.000 0.454 276 T N 1.645 116.203 114.554 0.008 0.000 2.743 276 T HA 0.500 nan 4.350 nan 0.000 0.292 276 T C -0.872 173.833 174.700 0.008 0.000 0.972 276 T CA -0.266 61.838 62.100 0.007 0.000 0.967 276 T CB -0.486 68.384 68.868 0.004 0.000 0.926 276 T HN 0.138 8.383 8.240 0.007 0.000 0.459 277 c N 3.868 122.474 118.600 0.009 0.000 3.197 277 c HA 0.293 nan 4.570 nan 0.000 0.343 277 c C -2.357 171.738 174.090 0.008 0.000 1.291 277 c CA -1.606 54.728 56.329 0.009 0.000 1.191 277 c CB 2.455 44.973 42.510 0.013 0.000 1.444 277 c HN 0.170 8.537 8.230 0.010 -0.131 0.468 278 I N -2.770 117.803 120.570 0.005 0.000 2.404 278 I HA 0.600 nan 4.170 nan 0.000 0.293 278 I C -1.820 174.302 176.117 0.008 0.000 0.992 278 I CA -1.713 59.586 61.300 -0.002 0.000 1.149 278 I CB 2.241 40.232 38.000 -0.015 0.000 1.315 278 I HN 0.016 8.229 8.210 0.006 0.000 0.446 279 S N 5.149 120.859 115.700 0.017 0.000 2.543 279 S HA 0.246 nan 4.470 nan 0.000 0.271 279 S C -1.613 173.026 174.600 0.065 0.000 1.148 279 S CA -0.433 57.792 58.200 0.042 0.000 0.914 279 S CB 1.906 65.142 63.200 0.060 0.000 1.096 279 S HN 0.562 8.784 8.310 0.013 0.096 0.471 280 E N 4.921 125.168 120.200 0.077 0.000 2.276 280 E HA 0.080 nan 4.350 nan 0.000 0.193 280 E C -0.693 176.057 176.600 0.250 0.000 0.983 280 E CA 1.816 58.301 56.400 0.141 0.000 0.861 280 E CB 1.069 30.820 29.700 0.084 0.000 0.817 280 E HN 0.516 8.912 8.360 0.061 0.000 0.485 281 c N -0.005 118.689 118.600 0.156 0.000 2.255 281 c HA 0.579 nan 4.570 nan 0.000 0.326 281 c C -1.336 172.840 174.090 0.143 0.000 1.258 281 c CA -1.846 54.563 56.329 0.134 0.000 1.676 281 c CB -0.322 42.239 42.510 0.085 0.000 2.314 281 c HN -0.676 7.626 8.230 0.120 0.000 0.509 282 I N 9.876 130.545 120.570 0.165 0.000 2.441 282 I HA 0.418 nan 4.170 nan 0.000 0.295 282 I C -1.583 174.599 176.117 0.109 0.000 0.994 282 I CA -0.931 60.452 61.300 0.138 0.000 1.144 282 I CB 3.149 41.240 38.000 0.151 0.000 1.314 282 I HN 0.722 9.041 8.210 0.181 0.000 0.445 283 T N 7.758 122.360 114.554 0.079 0.000 2.893 283 T HA 0.522 nan 4.350 nan 0.000 0.291 283 T C -1.417 173.308 174.700 0.043 0.000 1.028 283 T CA -2.690 59.447 62.100 0.061 0.000 0.995 283 T CB 1.624 70.531 68.868 0.066 0.000 1.051 283 T HN -0.195 8.090 8.240 0.074 0.000 0.470 284 P HA -0.046 nan 4.420 nan 0.000 0.225 284 P C 0.164 177.475 177.300 0.019 0.000 1.148 284 P CA 1.825 64.935 63.100 0.016 0.000 0.779 284 P CB 0.155 31.858 31.700 0.006 0.000 0.780 285 N N -2.148 116.568 118.700 0.027 0.000 2.461 285 N HA -0.095 nan 4.740 nan 0.000 0.188 285 N C -0.432 175.096 175.510 0.031 0.000 1.134 285 N CA 0.379 53.447 53.050 0.029 0.000 0.878 285 N CB -0.275 38.233 38.487 0.036 0.000 0.972 285 N HN 0.125 8.511 8.380 0.030 0.012 0.456 286 G N -3.060 105.760 108.800 0.034 0.000 2.423 286 G HA2 -0.262 nan 3.960 nan 0.000 0.684 286 G HA3 -0.262 nan 3.960 nan 0.000 0.684 286 G C -1.366 173.563 174.900 0.048 0.000 1.309 286 G CA -0.671 44.450 45.100 0.036 0.000 0.950 286 G HN -0.358 7.773 8.290 0.034 0.179 0.587 287 S N 1.390 117.121 115.700 0.051 0.000 2.603 287 S HA 0.680 nan 4.470 nan 0.000 0.268 287 S C -0.524 174.109 174.600 0.056 0.000 1.317 287 S CA 0.567 58.805 58.200 0.063 0.000 1.012 287 S CB 0.754 63.993 63.200 0.066 0.000 0.926 287 S HN 0.228 8.473 8.310 0.045 0.092 0.539 288 I N -5.057 115.550 120.570 0.061 0.000 2.730 288 I HA 0.803 nan 4.170 nan 0.000 0.298 288 I C -2.580 173.566 176.117 0.048 0.000 1.089 288 I CA -4.172 57.159 61.300 0.053 0.000 1.041 288 I CB 2.630 40.665 38.000 0.059 0.000 1.235 288 I HN -0.325 7.927 8.210 0.071 0.000 0.423 289 P HA 0.071 nan 4.420 nan 0.000 0.275 289 P C -1.608 175.707 177.300 0.025 0.000 1.228 289 P CA -0.371 62.746 63.100 0.029 0.000 0.786 289 P CB 0.572 32.285 31.700 0.022 0.000 0.927 290 N N 0.954 119.665 118.700 0.018 0.000 2.458 290 N HA 0.008 nan 4.740 nan 0.000 0.274 290 N C -0.486 175.017 175.510 -0.012 0.000 1.242 290 N CA -0.497 52.557 53.050 0.007 0.000 0.904 290 N CB -0.737 37.756 38.487 0.011 0.000 1.206 290 N HN 0.184 8.574 8.380 0.017 0.000 0.510 291 D N -3.460 116.934 120.400 -0.010 0.000 2.162 291 D HA -0.126 nan 4.640 nan 0.000 0.203 291 D C 0.317 176.595 176.300 -0.036 0.000 0.967 291 D CA 0.984 54.972 54.000 -0.019 0.000 0.840 291 D CB 0.054 40.849 40.800 -0.009 0.000 0.972 291 D HN 0.173 8.473 8.370 -0.000 0.069 0.482 292 K N -0.165 120.216 120.400 -0.032 0.000 2.202 292 K HA 0.173 nan 4.320 nan 0.000 0.264 292 K C -1.104 175.420 176.600 -0.126 0.000 1.010 292 K CA -1.370 54.886 56.287 -0.051 0.000 0.940 292 K CB 0.425 32.920 32.500 -0.007 0.000 0.983 292 K HN -0.253 7.988 8.250 -0.015 0.000 0.475 293 P HA 0.050 nan 4.420 nan 0.000 0.225 293 P C -1.201 175.690 177.300 -0.683 0.000 1.156 293 P CA 1.234 64.001 63.100 -0.555 0.000 0.787 293 P CB 0.745 31.946 31.700 -0.831 0.000 0.802 294 F N -2.812 117.132 119.950 -0.011 0.000 2.631 294 F HA 0.703 nan 4.527 nan 0.000 0.328 294 F C -2.071 173.713 175.800 -0.027 0.000 1.067 294 F CA -1.901 56.085 58.000 -0.024 0.000 0.969 294 F CB 3.625 42.597 39.000 -0.046 0.000 1.332 294 F HN -0.405 7.816 8.300 -0.075 0.034 0.490 295 Q N -1.685 118.209 119.800 0.156 0.000 2.462 295 Q HA 0.497 nan 4.340 nan 0.000 0.285 295 Q C -2.111 173.868 176.000 -0.034 0.000 1.035 295 Q CA -0.968 54.882 55.803 0.078 0.000 0.799 295 Q CB 3.212 32.017 28.738 0.111 0.000 1.452 295 Q HN 0.687 9.055 8.270 0.164 0.000 0.404 296 N N 0.047 118.734 118.700 -0.021 0.000 2.241 296 N HA 0.309 nan 4.740 nan 0.000 0.238 296 N C 0.800 176.389 175.510 0.132 0.000 1.244 296 N CA -0.428 52.560 53.050 -0.104 0.000 0.880 296 N CB 1.698 40.115 38.487 -0.117 0.000 1.179 296 N HN 0.394 8.793 8.380 0.030 0.000 0.513 297 V N 0.984 121.005 119.914 0.178 0.000 2.255 297 V HA -0.078 nan 4.120 nan 0.000 0.243 297 V C 0.072 176.290 176.094 0.208 0.000 1.038 297 V CA 2.519 64.915 62.300 0.161 0.000 1.008 297 V CB 0.184 32.076 31.823 0.114 0.000 0.645 297 V HN 0.253 8.799 8.190 0.172 -0.252 0.449 298 N N -4.145 114.699 118.700 0.240 0.000 2.636 298 N HA 0.125 nan 4.740 nan 0.000 0.261 298 N C -1.791 173.641 175.510 -0.130 0.000 1.195 298 N CA -0.441 52.643 53.050 0.057 0.000 0.902 298 N CB 2.349 40.849 38.487 0.021 0.000 1.627 298 N HN -0.566 8.277 8.380 0.298 -0.284 0.491 299 K N 0.192 120.257 120.400 -0.557 0.000 2.525 299 K HA -0.070 nan 4.320 nan 0.000 0.192 299 K C 0.031 176.492 176.600 -0.232 0.000 1.029 299 K CA 0.962 56.843 56.287 -0.677 0.000 1.029 299 K CB -0.011 31.994 32.500 -0.825 0.000 0.814 299 K HN 0.320 8.290 8.250 -0.467 0.000 0.503 300 I N 2.521 123.013 120.570 -0.129 0.000 2.336 300 I HA 0.067 nan 4.170 nan 0.000 0.292 300 I C -1.802 174.319 176.117 0.007 0.000 0.991 300 I CA -0.258 61.014 61.300 -0.046 0.000 1.227 300 I CB 1.071 39.048 38.000 -0.038 0.000 1.366 300 I HN -0.366 7.992 8.210 -0.134 -0.229 0.466 301 T N 4.184 118.758 114.554 0.034 0.000 2.868 301 T HA 0.452 nan 4.350 nan 0.000 0.306 301 T C -2.221 172.539 174.700 0.100 0.000 1.224 301 T CA -1.780 60.359 62.100 0.065 0.000 1.012 301 T CB 2.945 71.846 68.868 0.055 0.000 1.221 301 T HN 0.127 8.382 8.240 0.026 0.000 0.499 302 Y N 2.839 123.124 120.300 -0.024 0.000 2.406 302 Y HA 0.308 nan 4.550 nan 0.000 0.340 302 Y C -1.454 174.391 175.900 -0.092 0.000 0.975 302 Y CA -0.293 57.766 58.100 -0.068 0.000 1.056 302 Y CB 2.798 41.201 38.460 -0.095 0.000 1.210 302 Y HN 0.648 9.025 8.280 0.161 0.000 0.448 303 G N 6.095 114.521 108.800 -0.623 0.000 2.526 303 G HA2 -0.281 nan 3.960 nan 0.000 0.250 303 G HA3 -0.281 nan 3.960 nan 0.000 0.250 303 G C -2.141 172.691 174.900 -0.113 0.000 1.289 303 G CA -0.586 44.299 45.100 -0.358 0.000 0.947 303 G HN 0.051 7.922 8.290 -0.699 0.000 0.517 304 A N 1.827 124.651 122.820 0.006 0.000 2.666 304 A HA 0.165 nan 4.320 nan 0.000 0.301 304 A C -0.886 176.707 177.584 0.015 0.000 1.470 304 A CA 0.099 52.139 52.037 0.003 0.000 1.159 304 A CB -0.825 18.188 19.000 0.020 0.000 1.116 304 A HN 0.084 8.287 8.150 0.088 0.000 0.548 305 c N 3.915 122.519 118.600 0.007 0.000 2.562 305 c HA 0.367 nan 4.570 nan 0.000 0.332 305 c C -2.495 171.608 174.090 0.022 0.000 1.201 305 c CA -2.848 53.497 56.329 0.028 0.000 1.803 305 c CB 0.873 43.409 42.510 0.044 0.000 2.328 305 c HN -0.176 8.049 8.230 -0.009 0.000 0.500 306 P HA 0.045 nan 4.420 nan 0.000 0.272 306 P C -1.727 175.619 177.300 0.077 0.000 1.230 306 P CA -0.495 62.612 63.100 0.011 0.000 0.788 306 P CB 0.638 32.345 31.700 0.012 0.000 0.949 307 K N 0.961 121.422 120.400 0.102 0.000 2.368 307 K HA 0.012 nan 4.320 nan 0.000 0.282 307 K C -0.068 176.690 176.600 0.262 0.000 1.035 307 K CA 0.157 56.565 56.287 0.202 0.000 0.973 307 K CB 0.736 33.400 32.500 0.274 0.000 0.957 307 K HN 0.010 8.275 8.250 0.026 0.000 0.474 308 Y N 3.150 123.521 120.300 0.118 0.000 2.425 308 Y HA 0.163 nan 4.550 nan 0.000 0.331 308 Y C -1.155 174.787 175.900 0.070 0.000 1.157 308 Y CA 1.179 59.333 58.100 0.089 0.000 1.372 308 Y CB 0.710 39.202 38.460 0.054 0.000 1.253 308 Y HN -0.186 8.277 8.280 0.305 0.000 0.536 309 V N 6.822 126.315 119.914 -0.702 0.000 3.078 309 V HA 0.260 nan 4.120 nan 0.000 0.311 309 V C -1.164 174.532 176.094 -0.663 0.000 1.138 309 V CA -1.206 60.805 62.300 -0.481 0.000 1.007 309 V CB 3.675 35.292 31.823 -0.343 0.000 1.045 309 V HN 0.144 7.687 8.190 -1.078 0.000 0.432 310 K N 0.087 120.292 120.400 -0.324 0.000 2.167 310 K HA -0.097 nan 4.320 nan 0.000 0.203 310 K C -0.489 176.004 176.600 -0.178 0.000 1.052 310 K CA 1.387 57.557 56.287 -0.196 0.000 0.956 310 K CB 0.338 32.794 32.500 -0.074 0.000 0.735 310 K HN 0.287 8.396 8.250 -0.234 0.000 0.451 311 Q N -1.615 118.074 119.800 -0.185 0.000 2.392 311 Q HA -0.040 nan 4.340 nan 0.000 0.262 311 Q C -0.928 175.003 176.000 -0.114 0.000 1.003 311 Q CA 0.519 56.243 55.803 -0.132 0.000 0.888 311 Q CB 0.541 29.196 28.738 -0.138 0.000 1.260 311 Q HN -0.457 7.679 8.270 -0.223 0.000 0.435 312 N N -2.604 116.055 118.700 -0.068 0.000 2.325 312 N HA -0.054 nan 4.740 nan 0.000 0.182 312 N C -0.701 174.793 175.510 -0.026 0.000 1.088 312 N CA 0.465 53.489 53.050 -0.044 0.000 0.879 312 N CB 0.647 39.121 38.487 -0.022 0.000 0.983 312 N HN 0.125 8.471 8.380 -0.056 0.000 0.471 313 T N 0.286 114.823 114.554 -0.029 0.000 2.993 313 T HA 0.167 nan 4.350 nan 0.000 0.312 313 T C -2.509 172.181 174.700 -0.017 0.000 1.115 313 T CA -0.605 61.487 62.100 -0.012 0.000 1.027 313 T CB 1.561 70.425 68.868 -0.006 0.000 1.116 313 T HN -0.890 7.327 8.240 -0.039 0.000 0.464 314 L N 5.763 126.988 121.223 0.003 0.000 2.491 314 L HA 0.473 nan 4.340 nan 0.000 0.267 314 L C -1.927 174.962 176.870 0.031 0.000 0.971 314 L CA -0.246 54.598 54.840 0.006 0.000 0.857 314 L CB 3.854 45.912 42.059 -0.001 0.000 1.226 314 L HN 0.750 9.379 8.230 0.020 -0.387 0.408 315 K N 3.520 123.932 120.400 0.020 0.000 2.213 315 K HA 0.577 nan 4.320 nan 0.000 0.270 315 K C -1.238 175.378 176.600 0.027 0.000 1.002 315 K CA -1.253 55.048 56.287 0.024 0.000 0.868 315 K CB 1.262 33.771 32.500 0.015 0.000 1.093 315 K HN -0.013 8.243 8.250 0.010 0.000 0.454 316 L N 5.754 126.997 121.223 0.033 0.000 2.260 316 L HA 0.118 nan 4.340 nan 0.000 0.289 316 L C -1.675 175.209 176.870 0.023 0.000 1.057 316 L CA -1.509 53.350 54.840 0.032 0.000 0.811 316 L CB 1.881 43.963 42.059 0.038 0.000 1.184 316 L HN 0.804 9.055 8.230 0.036 0.000 0.429 317 A N 6.806 129.637 122.820 0.019 0.000 2.520 317 A HA -0.043 nan 4.320 nan 0.000 0.245 317 A C -0.256 177.340 177.584 0.020 0.000 1.072 317 A CA 0.896 52.944 52.037 0.018 0.000 0.761 317 A CB 0.193 19.202 19.000 0.015 0.000 1.004 317 A HN 0.322 8.483 8.150 0.018 0.000 0.499 318 T N -1.450 113.118 114.554 0.023 0.000 3.355 318 T HA 0.279 nan 4.350 nan 0.000 0.276 318 T C -0.428 174.293 174.700 0.035 0.000 1.003 318 T CA -0.960 61.154 62.100 0.025 0.000 0.943 318 T CB -0.033 68.848 68.868 0.023 0.000 1.158 318 T HN 0.468 8.607 8.240 0.024 0.115 0.513 319 G N 1.601 110.424 108.800 0.039 0.000 2.601 319 G HA2 0.170 nan 3.960 nan 0.000 0.291 319 G HA3 0.170 nan 3.960 nan 0.000 0.291 319 G C -1.719 173.214 174.900 0.055 0.000 1.456 319 G CA 0.168 45.307 45.100 0.065 0.000 0.804 319 G HN -0.787 7.462 8.290 0.031 0.059 0.499 320 M N -2.309 117.338 119.600 0.078 0.000 2.061 320 M HA 0.023 nan 4.480 nan 0.000 0.266 320 M C -0.862 175.457 176.300 0.032 0.000 1.284 320 M CA 1.289 56.613 55.300 0.039 0.000 1.112 320 M CB 1.023 33.641 32.600 0.030 0.000 1.365 320 M HN 0.146 8.509 8.290 0.122 0.000 0.453 321 R N -1.424 119.074 120.500 -0.002 0.000 2.543 321 R HA -0.146 nan 4.340 nan 0.000 0.277 321 R C -0.860 175.459 176.300 0.033 0.000 1.074 321 R CA 0.400 56.503 56.100 0.005 0.000 1.076 321 R CB 0.655 30.948 30.300 -0.011 0.000 0.993 321 R HN 0.142 8.390 8.270 -0.036 0.000 0.459 322 N N 4.921 123.636 118.700 0.024 0.000 2.406 322 N HA -0.063 nan 4.740 nan 0.000 0.251 322 N C -0.954 174.580 175.510 0.041 0.000 1.069 322 N CA 0.321 53.383 53.050 0.021 0.000 0.947 322 N CB 0.399 38.880 38.487 -0.009 0.000 1.111 322 N HN -0.069 8.217 8.380 0.014 0.102 0.497 323 V N 6.380 126.345 119.914 0.084 0.000 2.266 323 V HA 0.319 nan 4.120 nan 0.000 0.266 323 V C -1.249 174.870 176.094 0.041 0.000 1.036 323 V CA -3.059 59.286 62.300 0.075 0.000 0.828 323 V CB -0.503 31.399 31.823 0.132 0.000 1.081 323 V HN -0.046 8.222 8.190 0.130 0.000 0.449 324 P HA 0.124 nan 4.420 nan 0.000 0.272 324 P C -0.920 176.373 177.300 -0.012 0.000 1.223 324 P CA -0.876 62.218 63.100 -0.010 0.000 0.784 324 P CB 1.342 33.033 31.700 -0.015 0.000 0.923 325 E N 3.753 123.939 120.200 -0.023 0.000 2.122 325 E HA -0.074 nan 4.350 nan 0.000 0.288 325 E C -0.180 176.410 176.600 -0.018 0.000 1.260 325 E CA -0.587 55.798 56.400 -0.025 0.000 1.344 325 E CB -1.331 28.348 29.700 -0.035 0.000 1.337 325 E HN 0.211 8.555 8.360 -0.027 0.000 0.484 326 K N 0.274 120.667 120.400 -0.012 0.000 5.819 326 K HA -0.261 nan 4.320 nan 0.000 0.277 326 K C -1.744 174.850 176.600 -0.010 0.000 1.628 326 K CA 0.819 57.100 56.287 -0.010 0.000 0.771 326 K CB -1.310 31.184 32.500 -0.010 0.000 0.815 326 K HN -0.239 8.004 8.250 -0.010 0.000 0.531 327 Q N 1.617 121.410 119.800 -0.011 0.000 3.775 327 Q HA 0.064 nan 4.340 nan 0.000 0.163 327 Q C -2.065 173.929 176.000 -0.011 0.000 0.819 327 Q CA 0.334 56.130 55.803 -0.012 0.000 0.893 327 Q CB 0.389 29.121 28.738 -0.010 0.000 1.515 327 Q HN 0.445 8.710 8.270 -0.010 0.000 0.482 328 T N 0.000 114.547 114.554 -0.012 0.000 3.816 328 T HA 0.000 nan 4.350 nan 0.000 0.228 328 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 328 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 328 T HN 0.000 8.231 8.240 -0.014 0.000 0.658