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 1hge_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 TQNGRSNAcK 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 0.453 120.853 120.400 0.000 0.000 2.063 2 D HA 0.243 nan 4.640 nan 0.000 0.289 2 D C 0.034 176.335 176.300 0.000 0.000 1.111 2 D CA 1.207 55.207 54.000 0.000 0.000 1.023 2 D CB 0.442 41.243 40.800 0.000 0.000 1.152 2 D HN 0.241 8.611 8.370 0.000 0.000 0.465 3 L N -4.757 116.466 121.223 0.000 0.000 2.931 3 L HA 0.505 nan 4.340 nan 0.000 0.237 3 L C -2.064 174.807 176.870 0.000 0.000 1.986 3 L CA -1.217 53.623 54.840 0.000 0.000 2.186 3 L CB -0.285 41.774 42.059 0.000 0.000 2.326 3 L HN -0.348 7.882 8.230 0.000 0.000 0.575 4 P HA -0.023 nan 4.420 nan 0.000 0.262 4 P C -0.648 176.652 177.300 0.000 0.000 1.455 4 P CA -0.275 62.825 63.100 0.000 0.000 1.217 4 P CB -1.763 29.937 31.700 0.000 0.000 1.625 5 G N 3.496 112.296 108.800 0.000 0.000 2.526 5 G HA2 -0.159 nan 3.960 nan 0.000 0.293 5 G HA3 -0.159 nan 3.960 nan 0.000 0.293 5 G C -0.099 174.801 174.900 0.000 0.000 0.882 5 G CA 0.090 45.190 45.100 0.000 0.000 1.656 5 G HN 0.015 8.275 8.290 0.000 0.030 0.474 6 N N 3.380 122.080 118.700 0.000 0.000 2.392 6 N HA -0.171 nan 4.740 nan 0.000 0.177 6 N C 0.060 175.570 175.510 0.000 0.000 1.066 6 N CA 0.011 53.061 53.050 0.000 0.000 0.895 6 N CB 0.489 38.976 38.487 0.000 0.000 0.988 6 N HN -0.044 8.330 8.380 0.000 0.006 0.457 7 D N 0.032 120.432 120.400 0.000 0.000 2.357 7 D HA -0.131 nan 4.640 nan 0.000 0.265 7 D C -0.384 175.916 176.300 0.000 0.000 1.334 7 D CA -0.084 53.916 54.000 0.000 0.000 0.984 7 D CB -0.615 40.185 40.800 0.000 0.000 1.077 7 D HN -0.065 8.305 8.370 0.000 0.000 0.514 8 N N 6.402 125.102 118.700 0.000 0.000 3.254 8 N HA 0.070 nan 4.740 nan 0.000 0.308 8 N C -0.704 174.806 175.510 0.000 0.000 1.281 8 N CA -0.016 53.035 53.050 0.000 0.000 1.212 8 N CB -0.270 38.217 38.487 0.000 0.000 1.478 8 N HN -0.080 8.300 8.380 0.000 0.000 0.548 9 S N 0.811 116.511 115.700 0.000 0.000 2.766 9 S HA 0.414 nan 4.470 nan 0.000 0.307 9 S C -0.561 174.039 174.600 0.000 0.000 1.121 9 S CA -0.447 57.754 58.200 0.000 0.000 0.980 9 S CB 1.735 64.936 63.200 0.000 0.000 1.159 9 S HN -0.484 7.782 8.310 0.000 0.044 0.546 10 T N -4.036 110.518 114.554 0.000 0.000 2.858 10 T HA 0.859 nan 4.350 nan 0.000 0.285 10 T C -1.585 173.115 174.700 0.000 0.000 1.052 10 T CA -1.103 60.997 62.100 0.000 0.000 1.009 10 T CB 1.954 70.823 68.868 0.000 0.000 1.241 10 T HN 0.516 8.756 8.240 0.000 0.000 0.542 11 A N -0.131 122.690 122.820 0.000 0.000 2.527 11 A HA 0.898 nan 4.320 nan 0.000 0.293 11 A C -1.125 176.459 177.584 0.000 0.000 1.117 11 A CA -0.892 51.145 52.037 0.000 0.000 0.723 11 A CB 2.027 21.027 19.000 0.000 0.000 1.313 11 A HN 0.660 8.810 8.150 0.000 0.000 0.411 12 T N 0.845 115.399 114.554 -0.000 0.000 2.848 12 T HA 0.262 nan 4.350 nan 0.000 0.285 12 T C -0.832 173.867 174.700 -0.000 0.000 0.995 12 T CA -0.062 62.038 62.100 0.000 0.000 0.970 12 T CB 1.075 69.943 68.868 -0.000 0.000 0.976 12 T HN -0.210 8.029 8.240 -0.000 0.000 0.441 13 L N 5.793 127.016 121.223 0.000 0.000 2.381 13 L HA 0.448 nan 4.340 nan 0.000 0.274 13 L C -0.843 176.028 176.870 0.001 0.000 0.988 13 L CA -0.119 54.722 54.840 0.001 0.000 0.824 13 L CB 1.872 43.931 42.059 0.001 0.000 1.263 13 L HN 0.175 8.406 8.230 0.001 0.000 0.410 14 C N 4.230 123.530 119.300 -0.000 0.000 2.455 14 C HA 0.319 nan 4.460 nan 0.000 0.320 14 C C -0.509 174.482 174.990 0.001 0.000 1.226 14 C CA -0.721 58.297 59.018 0.000 0.000 1.569 14 C CB 1.282 29.019 27.740 -0.004 0.000 2.200 14 C HN 0.180 8.409 8.230 -0.001 0.000 0.491 15 L N 2.725 123.952 121.223 0.008 0.000 2.343 15 L HA 0.321 nan 4.340 nan 0.000 0.275 15 L C 0.371 177.250 176.870 0.016 0.000 1.056 15 L CA 0.212 55.061 54.840 0.014 0.000 0.804 15 L CB 0.940 43.013 42.059 0.023 0.000 1.203 15 L HN 0.372 8.608 8.230 0.010 0.000 0.440 16 G N 0.114 108.924 108.800 0.016 0.000 2.663 16 G HA2 0.137 nan 3.960 nan 0.000 0.299 16 G HA3 0.137 nan 3.960 nan 0.000 0.299 16 G C -2.144 172.782 174.900 0.043 0.000 1.372 16 G CA -0.143 44.950 45.100 -0.013 0.000 0.781 16 G HN 0.165 8.466 8.290 0.020 0.000 0.491 17 H N -2.573 116.518 119.070 0.034 0.000 2.946 17 H HA 0.441 nan 4.556 nan 0.000 0.365 17 H C -1.269 174.135 175.328 0.127 0.000 1.197 17 H CA -0.874 55.203 56.048 0.049 0.000 1.131 17 H CB 0.983 30.779 29.762 0.057 0.000 1.849 17 H HN 0.434 8.438 8.280 -0.460 0.000 0.555 18 H N 0.263 119.407 119.070 0.124 0.000 2.598 18 H HA 0.158 nan 4.556 nan 0.000 0.371 18 H C -1.637 173.750 175.328 0.098 0.000 1.468 18 H CA -0.751 55.331 56.048 0.057 0.000 1.454 18 H CB 0.697 30.491 29.762 0.053 0.000 1.579 18 H HN 0.379 8.816 8.280 0.261 0.000 0.611 19 A N -2.292 120.511 122.820 -0.029 0.000 2.612 19 A HA 0.287 nan 4.320 nan 0.000 0.293 19 A C -2.248 175.230 177.584 -0.176 0.000 1.075 19 A CA -0.589 51.382 52.037 -0.110 0.000 0.680 19 A CB 2.595 21.581 19.000 -0.023 0.000 1.279 19 A HN -0.014 8.131 8.150 -0.010 0.000 0.411 20 V N -4.191 115.630 119.914 -0.155 0.000 2.960 20 V HA 0.562 nan 4.120 nan 0.000 0.315 20 V C -2.286 173.771 176.094 -0.061 0.000 1.087 20 V CA -3.188 59.044 62.300 -0.113 0.000 0.982 20 V CB 2.544 34.292 31.823 -0.125 0.000 1.039 20 V HN 0.662 9.173 8.190 -0.124 -0.395 0.437 21 P HA 0.003 nan 4.420 nan 0.000 0.218 21 P C -0.767 176.519 177.300 -0.023 0.000 1.152 21 P CA 1.867 64.951 63.100 -0.027 0.000 0.826 21 P CB 0.295 31.983 31.700 -0.020 0.000 0.790 22 N N -0.873 117.812 118.700 -0.025 0.000 2.227 22 N HA -0.120 nan 4.740 nan 0.000 0.203 22 N C 0.433 175.929 175.510 -0.022 0.000 1.037 22 N CA 0.467 53.505 53.050 -0.019 0.000 1.005 22 N CB 0.218 38.695 38.487 -0.016 0.000 1.214 22 N HN -0.251 8.111 8.380 -0.030 0.000 0.527 23 G N 0.363 109.148 108.800 -0.025 0.000 2.692 23 G HA2 -0.236 nan 3.960 nan 0.000 0.686 23 G HA3 -0.236 nan 3.960 nan 0.000 0.686 23 G C -1.247 173.646 174.900 -0.012 0.000 1.243 23 G CA -0.228 44.859 45.100 -0.022 0.000 0.782 23 G HN -0.101 8.174 8.290 -0.024 0.000 0.625 24 T N 2.063 116.613 114.554 -0.008 0.000 2.893 24 T HA 0.260 nan 4.350 nan 0.000 0.293 24 T C -1.060 173.639 174.700 -0.002 0.000 1.027 24 T CA -0.830 61.269 62.100 -0.003 0.000 0.988 24 T CB 2.705 71.573 68.868 0.000 0.000 1.043 24 T HN 0.271 8.506 8.240 -0.008 0.000 0.461 25 L N 4.559 125.781 121.223 -0.001 0.000 2.312 25 L HA 0.752 nan 4.340 nan 0.000 0.281 25 L C -0.964 175.906 176.870 0.000 0.000 1.070 25 L CA -0.467 54.372 54.840 -0.001 0.000 0.805 25 L CB 0.709 42.767 42.059 -0.002 0.000 1.174 25 L HN 0.090 8.319 8.230 -0.001 0.000 0.434 26 V N -3.842 116.073 119.914 0.000 0.000 3.102 26 V HA 0.647 nan 4.120 nan 0.000 0.312 26 V C -1.708 174.385 176.094 -0.001 0.000 1.135 26 V CA -3.714 58.586 62.300 0.001 0.000 1.022 26 V CB 2.897 34.723 31.823 0.004 0.000 1.056 26 V HN 0.735 8.821 8.190 -0.000 0.104 0.436 27 K N 0.636 121.034 120.400 -0.003 0.000 2.087 27 K HA 0.722 nan 4.320 nan 0.000 0.255 27 K C -0.280 176.318 176.600 -0.004 0.000 0.988 27 K CA -0.231 56.053 56.287 -0.006 0.000 0.915 27 K CB 1.511 34.005 32.500 -0.011 0.000 1.043 27 K HN 0.356 8.605 8.250 -0.002 0.000 0.457 28 T N 0.623 115.174 114.554 -0.005 0.000 2.787 28 T HA 0.298 nan 4.350 nan 0.000 0.297 28 T C -0.337 174.360 174.700 -0.005 0.000 1.221 28 T CA -0.733 61.365 62.100 -0.004 0.000 1.006 28 T CB 2.036 70.902 68.868 -0.003 0.000 1.328 28 T HN 0.321 8.557 8.240 -0.007 0.000 0.509 29 I N 1.110 121.677 120.570 -0.004 0.000 2.315 29 I HA -0.078 nan 4.170 nan 0.000 0.248 29 I C 1.371 177.485 176.117 -0.005 0.000 1.117 29 I CA 2.064 63.361 61.300 -0.005 0.000 1.404 29 I CB -0.705 37.293 38.000 -0.003 0.000 1.071 29 I HN 0.256 8.464 8.210 -0.003 0.000 0.419 30 T N -5.674 108.878 114.554 -0.004 0.000 3.014 30 T HA 0.125 nan 4.350 nan 0.000 0.250 30 T C -0.554 174.143 174.700 -0.004 0.000 1.060 30 T CA 0.382 62.479 62.100 -0.004 0.000 1.040 30 T CB 0.380 69.246 68.868 -0.003 0.000 0.971 30 T HN -0.162 8.076 8.240 -0.004 0.000 0.497 31 D N 0.297 120.694 120.400 -0.004 0.000 2.601 31 D HA 0.237 nan 4.640 nan 0.000 0.230 31 D C -1.018 175.279 176.300 -0.005 0.000 1.106 31 D CA -1.077 52.920 54.000 -0.004 0.000 0.873 31 D CB 3.318 44.116 40.800 -0.003 0.000 1.515 31 D HN -0.531 7.836 8.370 -0.004 0.000 0.468 32 D N -1.249 119.147 120.400 -0.006 0.000 2.407 32 D HA -0.059 nan 4.640 nan 0.000 0.208 32 D C -0.562 175.734 176.300 -0.006 0.000 1.083 32 D CA 0.304 54.300 54.000 -0.007 0.000 0.844 32 D CB 1.149 41.944 40.800 -0.009 0.000 0.967 32 D HN 0.165 8.532 8.370 -0.005 0.000 0.506 33 Q N -0.943 118.855 119.800 -0.004 0.000 2.337 33 Q HA 0.181 nan 4.340 nan 0.000 0.260 33 Q C -1.741 174.258 176.000 -0.002 0.000 0.982 33 Q CA -0.738 55.063 55.803 -0.003 0.000 0.734 33 Q CB 2.454 31.190 28.738 -0.003 0.000 1.272 33 Q HN -0.533 7.735 8.270 -0.004 0.000 0.461 34 I N 3.054 123.623 120.570 -0.002 0.000 2.545 34 I HA 0.282 nan 4.170 nan 0.000 0.292 34 I C -2.527 173.590 176.117 -0.000 0.000 1.040 34 I CA -1.764 59.535 61.300 -0.001 0.000 1.068 34 I CB 3.925 41.925 38.000 -0.001 0.000 1.251 34 I HN 0.753 8.962 8.210 -0.002 0.000 0.424 35 E N 7.583 127.783 120.200 0.000 0.000 2.229 35 E HA 0.574 nan 4.350 nan 0.000 0.283 35 E C -1.266 175.334 176.600 0.000 0.000 1.030 35 E CA -0.582 55.817 56.400 -0.000 0.000 0.836 35 E CB 1.577 31.277 29.700 -0.001 0.000 1.068 35 E HN 0.103 8.464 8.360 0.001 0.000 0.401 36 V N 1.128 121.042 119.914 -0.001 0.000 3.019 36 V HA 0.776 nan 4.120 nan 0.000 0.317 36 V C 0.150 176.240 176.094 -0.007 0.000 1.094 36 V CA -3.021 59.280 62.300 0.001 0.000 1.000 36 V CB 2.318 34.145 31.823 0.006 0.000 1.060 36 V HN 0.700 8.889 8.190 -0.001 0.000 0.443 37 T N 3.596 118.144 114.554 -0.009 0.000 2.699 37 T HA -0.282 nan 4.350 nan 0.000 0.268 37 T C -0.240 174.449 174.700 -0.019 0.000 1.036 37 T CA 4.660 66.736 62.100 -0.040 0.000 1.147 37 T CB 0.054 68.903 68.868 -0.032 0.000 0.862 37 T HN 0.713 8.957 8.240 0.006 0.000 0.446 38 N N -2.823 115.881 118.700 0.007 0.000 2.745 38 N HA 0.106 nan 4.740 nan 0.000 0.256 38 N C -2.538 172.981 175.510 0.015 0.000 1.268 38 N CA -0.285 52.773 53.050 0.012 0.000 0.887 38 N CB 2.994 41.495 38.487 0.024 0.000 1.575 38 N HN -0.480 7.883 8.380 0.014 0.026 0.496 39 A N -0.300 122.528 122.820 0.013 0.000 2.593 39 A HA 0.613 nan 4.320 nan 0.000 0.290 39 A C -2.329 175.264 177.584 0.016 0.000 1.126 39 A CA -1.033 51.013 52.037 0.015 0.000 0.695 39 A CB 3.395 22.402 19.000 0.012 0.000 1.290 39 A HN 0.167 8.324 8.150 0.012 0.000 0.414 40 T N -0.984 113.580 114.554 0.018 0.000 2.912 40 T HA 0.276 nan 4.350 nan 0.000 0.299 40 T C -2.232 172.482 174.700 0.023 0.000 1.052 40 T CA -1.034 61.076 62.100 0.018 0.000 0.996 40 T CB 2.847 71.724 68.868 0.015 0.000 1.070 40 T HN 0.406 8.555 8.240 0.020 0.103 0.465 41 E N 6.022 126.236 120.200 0.023 0.000 2.338 41 E HA 0.324 nan 4.350 nan 0.000 0.272 41 E C -1.030 175.596 176.600 0.043 0.000 1.029 41 E CA -0.238 56.181 56.400 0.032 0.000 0.872 41 E CB 0.524 30.239 29.700 0.026 0.000 1.015 41 E HN 0.301 8.672 8.360 0.019 0.000 0.417 42 L N 4.227 125.495 121.223 0.074 0.000 2.731 42 L HA 0.256 nan 4.340 nan 0.000 0.240 42 L C -1.218 175.743 176.870 0.153 0.000 1.120 42 L CA 0.017 54.922 54.840 0.108 0.000 0.913 42 L CB 1.478 43.654 42.059 0.194 0.000 1.213 42 L HN 0.471 8.747 8.230 0.077 0.000 0.515 43 V N -0.755 119.230 119.914 0.119 0.000 2.347 43 V HA 0.166 nan 4.120 nan 0.000 0.280 43 V C -1.347 174.784 176.094 0.063 0.000 1.021 43 V CA -1.841 60.525 62.300 0.110 0.000 0.847 43 V CB -0.010 31.850 31.823 0.061 0.000 0.990 43 V HN -0.596 7.923 8.190 0.083 -0.279 0.444 44 Q N 7.999 127.836 119.800 0.061 0.000 2.286 44 Q HA 0.040 nan 4.340 nan 0.000 0.267 44 Q C -0.136 175.894 176.000 0.049 0.000 1.028 44 Q CA -0.387 55.444 55.803 0.047 0.000 0.901 44 Q CB 0.687 29.453 28.738 0.046 0.000 1.183 44 Q HN 0.684 8.893 8.270 0.077 0.106 0.392 45 S N 4.886 120.610 115.700 0.040 0.000 2.730 45 S HA 0.160 nan 4.470 nan 0.000 0.244 45 S C -1.089 173.537 174.600 0.042 0.000 1.022 45 S CA -0.764 57.460 58.200 0.041 0.000 1.014 45 S CB 0.472 63.689 63.200 0.028 0.000 0.963 45 S HN 0.288 8.619 8.310 0.035 0.000 0.540 46 S N 0.061 115.785 115.700 0.041 0.000 2.546 46 S HA 0.243 nan 4.470 nan 0.000 0.274 46 S C -1.470 173.154 174.600 0.040 0.000 1.121 46 S CA -0.587 57.635 58.200 0.038 0.000 0.887 46 S CB 2.036 65.253 63.200 0.029 0.000 1.094 46 S HN -0.686 7.649 8.310 0.040 0.000 0.474 47 S N 1.519 117.242 115.700 0.039 0.000 2.681 47 S HA 0.362 nan 4.470 nan 0.000 0.299 47 S C 1.396 176.015 174.600 0.031 0.000 1.113 47 S CA -1.435 56.788 58.200 0.038 0.000 1.013 47 S CB 1.946 65.171 63.200 0.041 0.000 1.076 47 S HN -0.207 8.125 8.310 0.037 0.000 0.534 48 T N 0.152 114.724 114.554 0.030 0.000 2.904 48 T HA 0.052 nan 4.350 nan 0.000 0.267 48 T C 1.431 176.145 174.700 0.023 0.000 1.059 48 T CA 0.404 62.519 62.100 0.025 0.000 1.137 48 T CB 0.466 69.349 68.868 0.025 0.000 0.879 48 T HN 0.206 8.466 8.240 0.034 0.000 0.467 49 G N 2.190 111.005 108.800 0.025 0.000 2.176 49 G HA2 -0.368 nan 3.960 nan 0.000 0.232 49 G HA3 -0.368 nan 3.960 nan 0.000 0.232 49 G C -1.363 173.549 174.900 0.020 0.000 0.986 49 G CA -0.325 44.788 45.100 0.022 0.000 0.643 49 G HN -0.168 8.117 8.290 0.029 0.022 0.522 50 K N -0.359 120.054 120.400 0.022 0.000 2.427 50 K HA 0.324 nan 4.320 nan 0.000 0.252 50 K C -1.193 175.423 176.600 0.026 0.000 0.931 50 K CA -1.472 54.827 56.287 0.020 0.000 0.793 50 K CB 3.243 35.753 32.500 0.017 0.000 1.211 50 K HN -0.389 7.814 8.250 0.025 0.062 0.426 51 I N 4.401 124.985 120.570 0.024 0.000 2.363 51 I HA 0.017 nan 4.170 nan 0.000 0.292 51 I C -0.731 175.407 176.117 0.035 0.000 1.075 51 I CA -0.597 60.723 61.300 0.033 0.000 1.333 51 I CB 0.096 38.109 38.000 0.021 0.000 1.415 51 I HN 0.674 8.789 8.210 0.016 0.105 0.502 52 c N 9.310 127.937 118.600 0.045 0.000 2.648 52 c HA -0.119 nan 4.570 nan 0.000 0.419 52 c C 0.584 174.701 174.090 0.044 0.000 1.352 52 c CA 0.621 56.973 56.329 0.038 0.000 1.816 52 c CB -1.628 40.905 42.510 0.038 0.000 2.598 52 c HN 0.247 8.509 8.230 0.055 0.000 0.598 53 N N 3.438 122.155 118.700 0.028 0.000 2.416 53 N HA -0.205 nan 4.740 nan 0.000 0.215 53 N C -0.980 174.545 175.510 0.024 0.000 1.208 53 N CA -0.350 52.718 53.050 0.029 0.000 0.834 53 N CB -0.247 38.250 38.487 0.016 0.000 1.072 53 N HN 0.586 8.979 8.380 0.020 0.000 0.472 54 N N -1.908 116.801 118.700 0.014 0.000 2.431 54 N HA 0.239 nan 4.740 nan 0.000 0.275 54 N C -2.344 173.125 175.510 -0.069 0.000 1.091 54 N CA -1.417 51.620 53.050 -0.023 0.000 0.922 54 N CB 3.406 41.883 38.487 -0.017 0.000 1.666 54 N HN -0.833 7.456 8.380 0.026 0.106 0.484 55 P HA 0.016 nan 4.420 nan 0.000 0.245 55 P C -0.832 176.326 177.300 -0.238 0.000 1.206 55 P CA 0.813 63.781 63.100 -0.221 0.000 0.781 55 P CB 0.281 31.830 31.700 -0.252 0.000 0.994 56 H N -1.466 117.660 119.070 0.094 0.000 2.488 56 H HA 0.148 nan 4.556 nan 0.000 0.347 56 H C -0.898 174.477 175.328 0.077 0.000 1.174 56 H CA -0.996 55.124 56.048 0.121 0.000 1.307 56 H CB 1.295 31.187 29.762 0.217 0.000 1.517 56 H HN -0.131 8.008 8.280 -0.153 0.049 0.554 57 R N 2.653 123.272 120.500 0.199 0.000 2.248 57 R HA 0.087 nan 4.340 nan 0.000 0.337 57 R C -0.736 175.639 176.300 0.125 0.000 1.106 57 R CA -0.687 55.491 56.100 0.130 0.000 0.959 57 R CB -0.267 30.103 30.300 0.117 0.000 1.075 57 R HN 0.080 8.823 8.270 0.233 -0.333 0.480 58 I N 5.940 126.557 120.570 0.079 0.000 2.416 58 I HA 0.142 nan 4.170 nan 0.000 0.288 58 I C -0.878 175.238 176.117 -0.002 0.000 1.051 58 I CA -1.550 59.764 61.300 0.024 0.000 1.375 58 I CB -0.412 37.594 38.000 0.009 0.000 1.407 58 I HN 0.044 8.297 8.210 0.071 0.000 0.516 59 L N 8.801 129.981 121.223 -0.071 0.000 2.298 59 L HA 0.303 nan 4.340 nan 0.000 0.284 59 L C -2.229 174.405 176.870 -0.394 0.000 1.013 59 L CA -1.513 53.234 54.840 -0.155 0.000 0.824 59 L CB 2.981 44.975 42.059 -0.107 0.000 1.221 59 L HN 0.620 8.790 8.230 -0.100 0.000 0.418 60 D N 6.288 126.546 120.400 -0.237 0.000 2.277 60 D HA 0.222 nan 4.640 nan 0.000 0.249 60 D C 0.511 176.639 176.300 -0.287 0.000 1.134 60 D CA -0.703 53.149 54.000 -0.248 0.000 0.863 60 D CB 1.421 42.160 40.800 -0.101 0.000 1.143 60 D HN 0.307 8.605 8.370 -0.119 0.000 0.458 61 G N 4.003 112.501 108.800 -0.503 0.000 2.744 61 G HA2 -0.072 nan 3.960 nan 0.000 0.211 61 G HA3 -0.072 nan 3.960 nan 0.000 0.211 61 G C 0.360 175.244 174.900 -0.026 0.000 1.143 61 G CA 0.010 44.811 45.100 -0.499 0.000 0.788 61 G HN 0.325 8.332 8.290 -0.472 0.000 0.534 62 I N -0.203 120.384 120.570 0.029 0.000 4.906 62 I HA -0.676 nan 4.170 nan 0.000 0.038 62 I C -1.144 175.024 176.117 0.085 0.000 0.635 62 I CA 2.188 63.538 61.300 0.083 0.000 0.216 62 I CB -1.949 36.136 38.000 0.141 0.000 0.325 62 I HN 0.180 8.633 8.210 -0.040 -0.267 0.150 63 D N 0.303 120.778 120.400 0.126 0.000 2.525 63 D HA 0.095 nan 4.640 nan 0.000 0.229 63 D C -0.980 175.315 176.300 -0.009 0.000 1.202 63 D CA -1.423 52.641 54.000 0.107 0.000 0.828 63 D CB -0.740 40.204 40.800 0.241 0.000 1.008 63 D HN -0.070 8.400 8.370 0.167 0.000 0.493 64 c N -0.465 118.100 118.600 -0.058 0.000 2.382 64 c HA 0.552 nan 4.570 nan 0.000 0.327 64 c C -0.063 173.945 174.090 -0.138 0.000 1.250 64 c CA -0.733 55.480 56.329 -0.194 0.000 1.707 64 c CB 1.823 44.154 42.510 -0.297 0.000 2.272 64 c HN -0.117 7.912 8.230 -0.008 0.195 0.506 65 T N 0.331 114.809 114.554 -0.125 0.000 2.816 65 T HA 0.300 nan 4.350 nan 0.000 0.282 65 T C 0.781 175.289 174.700 -0.321 0.000 0.993 65 T CA -1.311 60.715 62.100 -0.123 0.000 0.994 65 T CB 1.436 70.277 68.868 -0.045 0.000 1.025 65 T HN 0.265 8.434 8.240 -0.118 0.000 0.529 66 L N 0.602 121.466 121.223 -0.598 0.000 2.046 66 L HA -0.165 nan 4.340 nan 0.000 0.208 66 L C 1.175 177.679 176.870 -0.611 0.000 1.077 66 L CA 3.321 57.548 54.840 -1.022 0.000 0.747 66 L CB 0.130 41.404 42.059 -1.309 0.000 0.896 66 L HN 0.183 8.438 8.230 -0.500 -0.325 0.432 67 I N -1.742 118.566 120.570 -0.437 0.000 2.226 67 I HA -0.514 nan 4.170 nan 0.000 0.245 67 I C 2.022 177.964 176.117 -0.293 0.000 1.100 67 I CA 2.878 63.953 61.300 -0.376 0.000 1.374 67 I CB -1.529 36.282 38.000 -0.313 0.000 1.057 67 I HN -0.123 7.865 8.210 -0.369 0.000 0.413 68 D N -0.132 120.157 120.400 -0.184 0.000 2.144 68 D HA -0.249 nan 4.640 nan 0.000 0.200 68 D C 2.326 178.519 176.300 -0.179 0.000 0.978 68 D CA 3.664 57.578 54.000 -0.143 0.000 0.833 68 D CB -0.445 40.315 40.800 -0.067 0.000 0.961 68 D HN -0.588 7.705 8.370 -0.128 0.000 0.470 69 A N -0.281 122.389 122.820 -0.249 0.000 1.933 69 A HA -0.209 nan 4.320 nan 0.000 0.218 69 A C 1.602 179.115 177.584 -0.117 0.000 1.175 69 A CA 2.903 54.831 52.037 -0.182 0.000 0.628 69 A CB -0.460 18.334 19.000 -0.343 0.000 0.814 69 A HN -0.372 7.588 8.150 -0.317 0.000 0.444 70 L N -1.903 119.179 121.223 -0.235 0.000 2.005 70 L HA -0.236 nan 4.340 nan 0.000 0.207 70 L C 1.430 178.225 176.870 -0.125 0.000 1.072 70 L CA 2.878 57.568 54.840 -0.250 0.000 0.744 70 L CB 0.032 41.805 42.059 -0.477 0.000 0.895 70 L HN -0.394 7.542 8.230 -0.328 0.097 0.433 71 L N -5.002 116.073 121.223 -0.246 0.000 2.083 71 L HA -0.285 nan 4.340 nan 0.000 0.209 71 L C 0.890 177.714 176.870 -0.077 0.000 1.083 71 L CA 1.884 56.541 54.840 -0.304 0.000 0.752 71 L CB 0.542 42.152 42.059 -0.748 0.000 0.899 71 L HN 0.070 8.113 8.230 -0.312 0.000 0.433 72 G N -5.351 103.454 108.800 0.008 0.000 2.392 72 G HA2 -0.438 nan 3.960 nan 0.000 0.215 72 G HA3 -0.438 nan 3.960 nan 0.000 0.215 72 G C -1.221 173.762 174.900 0.139 0.000 1.097 72 G CA -0.738 44.403 45.100 0.069 0.000 0.840 72 G HN -0.081 8.166 8.290 -0.047 0.015 0.492 73 D N 2.077 122.565 120.400 0.147 0.000 2.533 73 D HA 0.053 nan 4.640 nan 0.000 0.236 73 D C -0.300 176.016 176.300 0.027 0.000 1.137 73 D CA -0.841 53.210 54.000 0.086 0.000 0.867 73 D CB 0.842 41.687 40.800 0.075 0.000 1.170 73 D HN -0.606 7.818 8.370 0.090 0.000 0.474 74 P HA -0.316 nan 4.420 nan 0.000 0.217 74 P C 1.137 178.492 177.300 0.092 0.000 1.158 74 P CA 2.667 65.801 63.100 0.057 0.000 0.887 74 P CB -0.048 31.689 31.700 0.062 0.000 0.792 75 H N -4.393 114.698 119.070 0.035 0.000 2.559 75 H HA -0.017 nan 4.556 nan 0.000 0.273 75 H C 0.678 176.039 175.328 0.056 0.000 1.000 75 H CA 2.281 58.356 56.048 0.045 0.000 1.195 75 H CB -0.764 29.028 29.762 0.050 0.000 1.368 75 H HN -0.226 8.439 8.280 0.254 -0.233 0.592 76 c N 0.365 118.839 118.600 -0.209 0.000 2.881 76 c HA 0.310 nan 4.570 nan 0.000 0.290 76 c C 0.257 174.411 174.090 0.107 0.000 1.362 76 c CA -1.114 55.186 56.329 -0.047 0.000 1.757 76 c CB -0.703 41.740 42.510 -0.111 0.000 2.265 76 c HN 0.092 8.055 8.230 -0.136 0.185 0.600 77 D N 2.304 122.727 120.400 0.039 0.000 2.351 77 D HA -0.152 nan 4.640 nan 0.000 0.216 77 D C 1.541 177.843 176.300 0.003 0.000 0.968 77 D CA 3.303 57.326 54.000 0.039 0.000 0.899 77 D CB -0.329 40.487 40.800 0.027 0.000 0.907 77 D HN 0.122 8.345 8.370 0.023 0.161 0.514 78 V N -1.568 118.295 119.914 -0.084 0.000 2.568 78 V HA -0.292 nan 4.120 nan 0.000 0.253 78 V C 1.574 177.473 176.094 -0.325 0.000 1.072 78 V CA 2.587 64.725 62.300 -0.270 0.000 1.084 78 V CB -0.699 30.807 31.823 -0.529 0.000 0.676 78 V HN -0.272 7.833 8.190 -0.058 0.050 0.469 79 F N -3.568 116.390 119.950 0.014 0.000 2.692 79 F HA 0.152 nan 4.527 nan 0.000 0.303 79 F C -0.053 175.802 175.800 0.091 0.000 1.114 79 F CA -0.268 57.768 58.000 0.059 0.000 1.361 79 F CB -0.493 38.551 39.000 0.073 0.000 1.063 79 F HN -0.387 7.960 8.300 0.157 0.047 0.550 80 Q N -0.011 119.889 119.800 0.167 0.000 2.337 80 Q HA -0.265 nan 4.340 nan 0.000 0.270 80 Q C 0.136 176.231 176.000 0.159 0.000 1.002 80 Q CA 1.432 57.327 55.803 0.153 0.000 0.888 80 Q CB 0.021 28.808 28.738 0.082 0.000 1.222 80 Q HN -0.602 7.656 8.270 0.091 0.066 0.400 81 N N -1.569 117.245 118.700 0.190 0.000 2.753 81 N HA -0.448 nan 4.740 nan 0.000 0.251 81 N C -0.940 174.675 175.510 0.174 0.000 1.097 81 N CA 1.545 54.692 53.050 0.162 0.000 0.786 81 N CB -1.013 37.532 38.487 0.096 0.000 1.137 81 N HN 0.554 9.073 8.380 0.230 0.000 0.566 82 E N -1.718 118.638 120.200 0.261 0.000 2.369 82 E HA 0.147 nan 4.350 nan 0.000 0.255 82 E C -0.904 175.904 176.600 0.347 0.000 1.172 82 E CA -0.936 55.646 56.400 0.304 0.000 0.932 82 E CB 1.804 31.749 29.700 0.409 0.000 1.040 82 E HN -0.513 7.971 8.360 0.304 0.058 0.454 83 T N -4.547 110.198 114.554 0.318 0.000 2.864 83 T HA 0.889 nan 4.350 nan 0.000 0.299 83 T C -1.531 173.341 174.700 0.287 0.000 1.166 83 T CA -1.667 60.488 62.100 0.092 0.000 1.007 83 T CB 2.260 71.085 68.868 -0.071 0.000 1.219 83 T HN -0.168 8.262 8.240 0.316 0.000 0.506 84 W N -2.559 118.785 121.300 0.073 0.000 3.153 84 W HA 0.395 nan 4.660 nan 0.000 0.316 84 W C -1.911 174.629 176.519 0.034 0.000 1.255 84 W CA -0.429 56.950 57.345 0.056 0.000 1.192 84 W CB 1.371 30.883 29.460 0.087 0.000 1.400 84 W HN -0.094 7.659 8.180 -0.713 0.000 0.568 85 D N -0.342 120.167 120.400 0.182 0.000 2.277 85 D HA 0.199 nan 4.640 nan 0.000 0.209 85 D C -0.901 175.427 176.300 0.047 0.000 0.970 85 D CA 2.432 56.503 54.000 0.118 0.000 0.874 85 D CB 2.354 43.266 40.800 0.185 0.000 0.982 85 D HN 0.377 8.763 8.370 0.215 0.114 0.504 86 L N -2.689 118.575 121.223 0.068 0.000 2.476 86 L HA 0.379 nan 4.340 nan 0.000 0.269 86 L C -2.855 174.016 176.870 0.001 0.000 0.965 86 L CA 0.042 54.799 54.840 -0.139 0.000 0.845 86 L CB 3.128 44.880 42.059 -0.512 0.000 1.259 86 L HN -0.427 7.893 8.230 0.150 0.000 0.403 87 F N 8.793 128.564 119.950 -0.298 0.000 2.411 87 F HA 0.482 nan 4.527 nan 0.000 0.355 87 F C -1.879 173.724 175.800 -0.328 0.000 1.117 87 F CA -1.504 56.180 58.000 -0.527 0.000 1.139 87 F CB 1.903 40.253 39.000 -1.082 0.000 1.120 87 F HN 0.269 8.575 8.300 0.011 0.000 0.493 88 V N 9.022 128.762 119.914 -0.290 0.000 2.406 88 V HA 0.166 nan 4.120 nan 0.000 0.272 88 V C -1.274 174.761 176.094 -0.098 0.000 1.043 88 V CA -0.643 61.571 62.300 -0.144 0.000 0.915 88 V CB -0.119 31.613 31.823 -0.151 0.000 0.988 88 V HN 0.797 8.659 8.190 -0.547 0.000 0.466 89 E N 8.042 128.258 120.200 0.026 0.000 2.197 89 E HA 0.326 nan 4.350 nan 0.000 0.281 89 E C -1.345 175.256 176.600 0.002 0.000 0.995 89 E CA -1.011 55.416 56.400 0.045 0.000 0.808 89 E CB 2.331 32.056 29.700 0.041 0.000 1.093 89 E HN 0.647 9.020 8.360 0.021 0.000 0.394 90 R N 2.712 123.213 120.500 0.002 0.000 2.536 90 R HA 0.326 nan 4.340 nan 0.000 0.279 90 R C 1.724 178.038 176.300 0.022 0.000 1.001 90 R CA -2.503 53.602 56.100 0.008 0.000 1.027 90 R CB 0.993 31.302 30.300 0.016 0.000 1.096 90 R HN 0.565 8.837 8.270 0.005 0.000 0.502 91 S N 3.392 119.105 115.700 0.022 0.000 2.447 91 S HA -0.169 nan 4.470 nan 0.000 0.233 91 S C 0.739 175.367 174.600 0.047 0.000 1.006 91 S CA 2.990 61.205 58.200 0.025 0.000 0.957 91 S CB -0.194 63.016 63.200 0.017 0.000 0.773 91 S HN 0.655 9.342 8.310 0.017 -0.367 0.507 92 K N -0.901 119.538 120.400 0.066 0.000 2.459 92 K HA 0.070 nan 4.320 nan 0.000 0.193 92 K C -0.185 176.525 176.600 0.184 0.000 1.030 92 K CA -1.115 55.237 56.287 0.109 0.000 1.026 92 K CB -0.321 32.244 32.500 0.108 0.000 0.809 92 K HN -0.060 8.177 8.250 0.055 0.046 0.504 93 A N 0.643 123.541 122.820 0.129 0.000 2.531 93 A HA -0.029 nan 4.320 nan 0.000 0.236 93 A C -1.240 176.446 177.584 0.169 0.000 1.062 93 A CA 0.866 52.967 52.037 0.107 0.000 0.760 93 A CB 0.494 19.513 19.000 0.032 0.000 0.995 93 A HN -0.671 7.457 8.150 0.084 0.072 0.501 94 F N 1.327 121.352 119.950 0.126 0.000 2.599 94 F HA 0.337 nan 4.527 nan 0.000 0.311 94 F C -1.998 173.910 175.800 0.181 0.000 1.076 94 F CA -2.091 55.959 58.000 0.084 0.000 0.937 94 F CB 2.740 41.740 39.000 0.000 0.000 1.282 94 F HN -0.011 8.079 8.300 -0.349 0.000 0.460 95 S N -0.493 115.347 115.700 0.234 0.000 2.617 95 S HA 0.080 nan 4.470 nan 0.000 0.283 95 S C -1.557 173.230 174.600 0.312 0.000 1.189 95 S CA -0.260 58.084 58.200 0.240 0.000 1.036 95 S CB 1.481 64.838 63.200 0.261 0.000 1.014 95 S HN -0.126 8.338 8.310 0.256 0.000 0.522 96 N N 2.171 121.033 118.700 0.271 0.000 2.636 96 N HA 0.110 nan 4.740 nan 0.000 0.287 96 N C -2.655 172.926 175.510 0.118 0.000 1.817 96 N CA 0.302 53.485 53.050 0.223 0.000 0.842 96 N CB 0.751 39.417 38.487 0.298 0.000 1.353 96 N HN 0.294 9.211 8.380 0.279 -0.369 0.500 97 c N -2.032 116.610 118.600 0.070 0.000 3.236 97 c HA 0.378 nan 4.570 nan 0.000 0.376 97 c C -1.455 172.608 174.090 -0.045 0.000 2.349 97 c CA -1.801 54.465 56.329 -0.105 0.000 1.235 97 c CB 2.614 44.878 42.510 -0.410 0.000 2.754 97 c HN -0.436 7.878 8.230 0.140 0.000 0.443 98 Y N 2.867 123.019 120.300 -0.246 0.000 2.802 98 Y HA -0.020 nan 4.550 nan 0.000 0.333 98 Y C -1.371 174.646 175.900 0.195 0.000 1.244 98 Y CA -1.012 57.087 58.100 -0.002 0.000 1.558 98 Y CB 0.046 38.503 38.460 -0.005 0.000 1.233 98 Y HN 0.059 8.092 8.280 -0.412 0.000 0.547 99 P HA -0.070 nan 4.420 nan 0.000 0.260 99 P C -2.531 174.988 177.300 0.365 0.000 1.185 99 P CA 0.432 63.634 63.100 0.170 0.000 0.763 99 P CB -0.045 31.642 31.700 -0.021 0.000 0.776 100 Y N 0.699 121.102 120.300 0.171 0.000 2.605 100 Y HA 0.768 nan 4.550 nan 0.000 0.343 100 Y C -2.331 173.592 175.900 0.039 0.000 1.036 100 Y CA -3.312 54.857 58.100 0.115 0.000 1.065 100 Y CB 3.366 41.856 38.460 0.050 0.000 1.288 100 Y HN -0.308 7.999 8.280 0.045 0.000 0.481 101 D N -2.284 118.107 120.400 -0.015 0.000 2.601 101 D HA 0.122 nan 4.640 nan 0.000 0.230 101 D C -2.113 174.192 176.300 0.010 0.000 1.106 101 D CA -1.513 52.412 54.000 -0.125 0.000 0.873 101 D CB 3.677 44.422 40.800 -0.092 0.000 1.515 101 D HN 0.212 8.664 8.370 0.136 0.000 0.468 102 V N 0.425 120.359 119.914 0.033 0.000 2.326 102 V HA 0.339 nan 4.120 nan 0.000 0.281 102 V C -0.626 175.448 176.094 -0.032 0.000 1.015 102 V CA -2.970 59.335 62.300 0.009 0.000 0.823 102 V CB 0.988 32.897 31.823 0.143 0.000 1.009 102 V HN 0.362 8.557 8.190 0.008 0.000 0.436 103 P HA -0.216 nan 4.420 nan 0.000 0.217 103 P C -0.442 176.864 177.300 0.011 0.000 1.162 103 P CA 2.488 65.544 63.100 -0.074 0.000 0.901 103 P CB 0.387 32.017 31.700 -0.117 0.000 0.793 104 D N -4.296 116.133 120.400 0.048 0.000 2.863 104 D HA 0.165 nan 4.640 nan 0.000 0.323 104 D C -0.013 176.345 176.300 0.097 0.000 1.286 104 D CA -2.315 51.744 54.000 0.098 0.000 0.921 104 D CB -0.616 40.269 40.800 0.142 0.000 1.024 104 D HN -0.288 8.100 8.370 0.030 0.000 0.505 105 Y N 4.958 125.235 120.300 -0.038 0.000 2.096 105 Y HA -0.645 nan 4.550 nan 0.000 0.278 105 Y C 0.101 175.952 175.900 -0.082 0.000 1.192 105 Y CA 4.370 62.428 58.100 -0.069 0.000 1.143 105 Y CB 0.206 38.619 38.460 -0.078 0.000 0.963 105 Y HN -0.356 7.972 8.280 0.181 0.061 0.505 106 A N -3.770 119.137 122.820 0.144 0.000 1.908 106 A HA -0.415 nan 4.320 nan 0.000 0.218 106 A C 2.239 179.791 177.584 -0.054 0.000 1.181 106 A CA 3.204 55.275 52.037 0.056 0.000 0.627 106 A CB -1.327 17.714 19.000 0.069 0.000 0.818 106 A HN 0.467 8.698 8.150 0.180 0.027 0.445 107 S N -0.192 115.486 115.700 -0.036 0.000 2.371 107 S HA -0.226 nan 4.470 nan 0.000 0.224 107 S C 1.781 176.215 174.600 -0.277 0.000 1.029 107 S CA 3.510 61.661 58.200 -0.082 0.000 0.978 107 S CB 0.020 63.254 63.200 0.056 0.000 0.833 107 S HN -0.664 7.922 8.310 0.025 -0.262 0.466 108 L N 2.115 123.118 121.223 -0.367 0.000 2.046 108 L HA -0.338 nan 4.340 nan 0.000 0.208 108 L C 0.851 177.399 176.870 -0.536 0.000 1.077 108 L CA 3.041 57.511 54.840 -0.616 0.000 0.747 108 L CB -0.386 41.341 42.059 -0.554 0.000 0.896 108 L HN -0.379 7.719 8.230 -0.220 0.000 0.432 109 R N -1.670 118.519 120.500 -0.519 0.000 2.091 109 R HA -0.495 nan 4.340 nan 0.000 0.238 109 R C 2.115 178.227 176.300 -0.313 0.000 1.136 109 R CA 3.805 59.630 56.100 -0.460 0.000 0.959 109 R CB -0.342 29.711 30.300 -0.411 0.000 0.856 109 R HN 0.438 8.374 8.270 -0.556 0.000 0.437 110 S N -0.489 115.065 115.700 -0.242 0.000 2.343 110 S HA -0.267 nan 4.470 nan 0.000 0.219 110 S C 1.906 176.402 174.600 -0.174 0.000 1.033 110 S CA 3.262 61.364 58.200 -0.163 0.000 1.014 110 S CB -0.138 62.992 63.200 -0.116 0.000 0.915 110 S HN -0.645 7.434 8.310 -0.243 0.085 0.435 111 L N 0.841 121.910 121.223 -0.257 0.000 2.043 111 L HA -0.378 nan 4.340 nan 0.000 0.212 111 L C 1.968 178.692 176.870 -0.243 0.000 1.075 111 L CA 3.119 57.788 54.840 -0.285 0.000 0.752 111 L CB 0.092 41.852 42.059 -0.498 0.000 0.891 111 L HN 0.069 8.116 8.230 -0.306 0.000 0.432 112 V N -1.943 117.803 119.914 -0.281 0.000 2.379 112 V HA -0.423 nan 4.120 nan 0.000 0.245 112 V C 1.610 177.710 176.094 0.010 0.000 1.044 112 V CA 3.983 66.171 62.300 -0.187 0.000 1.036 112 V CB -0.994 30.649 31.823 -0.300 0.000 0.664 112 V HN -0.079 7.894 8.190 -0.362 0.000 0.453 113 A N -1.139 121.665 122.820 -0.027 0.000 1.908 113 A HA -0.339 nan 4.320 nan 0.000 0.218 113 A C 2.230 179.946 177.584 0.220 0.000 1.181 113 A CA 3.449 55.564 52.037 0.131 0.000 0.627 113 A CB -0.589 18.393 19.000 -0.030 0.000 0.818 113 A HN 0.119 8.111 8.150 -0.156 0.064 0.445 114 S N -4.432 111.303 115.700 0.058 0.000 2.524 114 S HA -0.108 nan 4.470 nan 0.000 0.216 114 S C 1.719 176.297 174.600 -0.037 0.000 0.987 114 S CA 2.535 60.756 58.200 0.034 0.000 0.909 114 S CB -0.120 63.087 63.200 0.012 0.000 0.781 114 S HN 0.197 8.501 8.310 -0.009 0.000 0.521 115 S N 2.375 118.035 115.700 -0.066 0.000 2.368 115 S HA -0.188 nan 4.470 nan 0.000 0.224 115 S C 1.303 175.746 174.600 -0.261 0.000 1.029 115 S CA 1.891 60.018 58.200 -0.122 0.000 0.988 115 S CB 0.150 63.289 63.200 -0.103 0.000 0.838 115 S HN -0.716 7.468 8.310 -0.044 0.100 0.462 116 G N 0.556 109.099 108.800 -0.428 0.000 2.159 116 G HA2 -0.322 nan 3.960 nan 0.000 0.256 116 G HA3 -0.322 nan 3.960 nan 0.000 0.256 116 G C -2.091 171.956 174.900 -1.422 0.000 0.977 116 G CA 0.617 45.006 45.100 -1.185 0.000 0.652 116 G HN -0.193 7.996 8.290 -0.168 0.000 0.531 117 T N -1.364 112.728 114.554 -0.771 0.000 2.916 117 T HA 0.549 nan 4.350 nan 0.000 0.305 117 T C -1.560 173.153 174.700 0.021 0.000 1.119 117 T CA -0.909 60.960 62.100 -0.386 0.000 1.008 117 T CB 1.865 70.610 68.868 -0.205 0.000 1.129 117 T HN -0.579 7.350 8.240 -0.468 0.030 0.480 118 L N 3.990 125.358 121.223 0.241 0.000 2.965 118 L HA 0.363 nan 4.340 nan 0.000 0.254 118 L C -0.665 176.456 176.870 0.418 0.000 1.220 118 L CA -1.075 54.021 54.840 0.426 0.000 1.023 118 L CB 0.725 43.051 42.059 0.446 0.000 1.355 118 L HN 0.600 8.955 8.230 0.208 0.000 0.545 119 E N 0.919 121.260 120.200 0.235 0.000 2.498 119 E HA -0.268 nan 4.350 nan 0.000 0.252 119 E C -1.718 174.927 176.600 0.074 0.000 1.025 119 E CA 1.260 57.730 56.400 0.116 0.000 0.938 119 E CB 0.144 29.849 29.700 0.008 0.000 0.947 119 E HN -0.659 7.723 8.360 0.158 0.073 0.478 120 F N 6.981 126.805 119.950 -0.209 0.000 2.482 120 F HA 0.561 nan 4.527 nan 0.000 0.331 120 F C -1.404 174.153 175.800 -0.404 0.000 1.115 120 F CA -1.146 56.577 58.000 -0.463 0.000 0.955 120 F CB 2.677 41.362 39.000 -0.525 0.000 1.136 120 F HN -0.182 8.469 8.300 0.096 -0.293 0.452 121 I N 7.636 127.517 120.570 -1.148 0.000 2.378 121 I HA 0.253 nan 4.170 nan 0.000 0.291 121 I C -1.057 174.504 176.117 -0.925 0.000 0.992 121 I CA -2.146 58.615 61.300 -0.898 0.000 1.154 121 I CB 1.808 39.116 38.000 -1.154 0.000 1.315 121 I HN 0.882 8.089 8.210 -1.673 0.000 0.448 122 T N 8.031 122.363 114.554 -0.370 0.000 2.856 122 T HA 0.182 nan 4.350 nan 0.000 0.292 122 T C -0.973 173.693 174.700 -0.057 0.000 0.980 122 T CA -0.408 61.618 62.100 -0.124 0.000 1.091 122 T CB 0.484 69.409 68.868 0.095 0.000 0.936 122 T HN 0.210 8.315 8.240 -0.224 0.000 0.503 123 E N 4.871 125.112 120.200 0.070 0.000 2.263 123 E HA 0.304 nan 4.350 nan 0.000 0.264 123 E C -0.061 176.531 176.600 -0.012 0.000 0.923 123 E CA -1.435 54.968 56.400 0.004 0.000 0.802 123 E CB 3.121 32.801 29.700 -0.034 0.000 1.228 123 E HN 0.344 8.723 8.360 0.206 0.105 0.417 124 G N 1.788 110.505 108.800 -0.139 0.000 3.101 124 G HA2 0.044 nan 3.960 nan 0.000 0.272 124 G HA3 0.044 nan 3.960 nan 0.000 0.272 124 G C -0.849 173.918 174.900 -0.222 0.000 0.801 124 G CA -0.236 44.801 45.100 -0.105 0.000 1.978 124 G HN 0.421 8.604 8.290 -0.177 0.000 0.591 125 F N 1.880 121.781 119.950 -0.081 0.000 2.484 125 F HA -0.121 nan 4.527 nan 0.000 0.360 125 F C 0.144 175.632 175.800 -0.521 0.000 1.101 125 F CA 0.731 58.520 58.000 -0.352 0.000 1.251 125 F CB 1.116 39.928 39.000 -0.314 0.000 1.132 125 F HN -0.645 7.769 8.300 0.259 0.042 0.570 126 T N 5.463 119.723 114.554 -0.490 0.000 2.788 126 T HA 0.185 nan 4.350 nan 0.000 0.296 126 T C -0.815 173.580 174.700 -0.509 0.000 1.009 126 T CA -0.417 61.462 62.100 -0.368 0.000 0.949 126 T CB 0.206 68.953 68.868 -0.202 0.000 0.946 126 T HN 0.193 8.147 8.240 -0.477 0.000 0.453 127 W N 7.343 128.677 121.300 0.056 0.000 2.316 127 W HA 0.150 nan 4.660 nan 0.000 0.339 127 W C -0.230 176.271 176.519 -0.031 0.000 1.002 127 W CA -1.418 55.931 57.345 0.006 0.000 1.465 127 W CB -0.113 29.345 29.460 -0.005 0.000 1.300 127 W HN 0.339 8.511 8.180 -0.013 0.000 0.378 128 T N -0.763 113.839 114.554 0.081 0.000 2.743 128 T HA 0.252 nan 4.350 nan 0.000 0.293 128 T C 0.683 175.388 174.700 0.009 0.000 0.945 128 T CA -0.607 61.512 62.100 0.033 0.000 1.030 128 T CB -0.049 68.819 68.868 -0.001 0.000 0.912 128 T HN 0.135 8.403 8.240 0.046 0.000 0.483 129 G N 4.197 112.991 108.800 -0.010 0.000 2.179 129 G HA2 -0.306 nan 3.960 nan 0.000 0.220 129 G HA3 -0.306 nan 3.960 nan 0.000 0.220 129 G C -2.262 172.574 174.900 -0.106 0.000 0.990 129 G CA 0.100 45.173 45.100 -0.045 0.000 0.646 129 G HN 0.548 8.841 8.290 0.004 0.000 0.517 130 V N -5.875 113.970 119.914 -0.115 0.000 3.074 130 V HA 0.736 nan 4.120 nan 0.000 0.314 130 V C -0.786 175.258 176.094 -0.084 0.000 1.117 130 V CA -3.318 58.867 62.300 -0.192 0.000 1.014 130 V CB 2.158 33.748 31.823 -0.387 0.000 1.057 130 V HN -0.803 7.361 8.190 -0.042 0.000 0.438 131 T N 4.891 119.394 114.554 -0.085 0.000 2.743 131 T HA 0.294 nan 4.350 nan 0.000 0.293 131 T C -0.688 173.964 174.700 -0.079 0.000 0.945 131 T CA 0.153 62.209 62.100 -0.072 0.000 1.030 131 T CB 0.099 68.908 68.868 -0.099 0.000 0.912 131 T HN 0.414 8.492 8.240 -0.093 0.107 0.483 132 Q N 5.096 124.874 119.800 -0.037 0.000 2.237 132 Q HA 0.350 nan 4.340 nan 0.000 0.219 132 Q C 0.138 176.107 176.000 -0.051 0.000 0.999 132 Q CA -0.148 55.641 55.803 -0.024 0.000 0.959 132 Q CB 1.250 30.028 28.738 0.066 0.000 1.173 132 Q HN 0.377 8.640 8.270 -0.013 0.000 0.527 133 N N -4.281 114.404 118.700 -0.025 0.000 2.747 133 N HA -0.295 nan 4.740 nan 0.000 0.249 133 N C -0.087 175.363 175.510 -0.100 0.000 1.107 133 N CA 0.964 54.005 53.050 -0.015 0.000 0.707 133 N CB -1.194 37.303 38.487 0.016 0.000 1.054 133 N HN 0.332 9.039 8.380 -0.007 -0.331 0.555 134 G N -0.320 108.342 108.800 -0.230 0.000 2.414 134 G HA2 -0.197 nan 3.960 nan 0.000 0.236 134 G HA3 -0.197 nan 3.960 nan 0.000 0.236 134 G C -1.931 172.783 174.900 -0.311 0.000 1.293 134 G CA 0.419 45.233 45.100 -0.476 0.000 0.869 134 G HN -0.148 7.984 8.290 -0.206 0.034 0.556 135 R N -0.454 119.913 120.500 -0.223 0.000 2.885 135 R HA 0.649 nan 4.340 nan 0.000 0.260 135 R C -2.075 174.330 176.300 0.174 0.000 1.107 135 R CA -2.113 54.033 56.100 0.076 0.000 0.978 135 R CB 2.886 33.244 30.300 0.097 0.000 1.227 135 R HN -0.349 7.732 8.270 -0.315 0.000 0.473 136 S N -1.867 114.043 115.700 0.350 0.000 2.546 136 S HA 0.238 nan 4.470 nan 0.000 0.274 136 S C 0.027 174.750 174.600 0.205 0.000 1.121 136 S CA -1.809 56.607 58.200 0.359 0.000 0.887 136 S CB 2.805 66.424 63.200 0.699 0.000 1.094 136 S HN 0.630 9.112 8.310 0.374 0.052 0.474 137 N N 5.848 124.622 118.700 0.124 0.000 2.515 137 N HA -0.065 nan 4.740 nan 0.000 0.185 137 N C 0.414 175.942 175.510 0.031 0.000 1.109 137 N CA 1.560 54.647 53.050 0.063 0.000 0.903 137 N CB -0.362 38.146 38.487 0.035 0.000 0.969 137 N HN 0.537 8.992 8.380 0.124 0.000 0.450 138 A N -2.343 120.486 122.820 0.015 0.000 2.238 138 A HA 0.027 nan 4.320 nan 0.000 0.208 138 A C -0.825 176.749 177.584 -0.017 0.000 1.177 138 A CA 0.503 52.509 52.037 -0.052 0.000 0.804 138 A CB 0.249 19.138 19.000 -0.184 0.000 0.823 138 A HN -0.299 7.846 8.150 0.051 0.035 0.482 139 c N -2.605 116.015 118.600 0.034 0.000 3.414 139 c HA 0.236 nan 4.570 nan 0.000 0.208 139 c C -1.750 172.360 174.090 0.033 0.000 1.422 139 c CA -1.715 54.609 56.329 -0.009 0.000 1.437 139 c CB -1.530 40.933 42.510 -0.080 0.000 1.850 139 c HN -0.555 7.548 8.230 0.086 0.179 0.481 140 K N 2.356 122.778 120.400 0.038 0.000 2.436 140 K HA -0.196 nan 4.320 nan 0.000 0.282 140 K C -0.994 175.635 176.600 0.049 0.000 1.044 140 K CA 0.542 56.857 56.287 0.046 0.000 1.028 140 K CB 0.114 32.638 32.500 0.040 0.000 0.919 140 K HN -0.189 8.079 8.250 0.030 0.000 0.474 141 R N 7.926 128.458 120.500 0.053 0.000 2.320 141 R HA 0.079 nan 4.340 nan 0.000 0.319 141 R C -0.253 176.075 176.300 0.047 0.000 0.969 141 R CA -1.126 55.005 56.100 0.053 0.000 0.857 141 R CB 0.775 31.109 30.300 0.057 0.000 1.160 141 R HN -0.301 7.901 8.270 0.056 0.101 0.491 142 G N 8.164 116.991 108.800 0.045 0.000 2.531 142 G HA2 -0.335 nan 3.960 nan 0.000 0.274 142 G HA3 -0.335 nan 3.960 nan 0.000 0.274 142 G C -1.652 173.269 174.900 0.034 0.000 1.159 142 G CA 0.202 45.325 45.100 0.038 0.000 0.969 142 G HN 0.142 8.462 8.290 0.051 0.000 0.554 143 P HA 0.016 nan 4.420 nan 0.000 0.221 143 P C -0.492 176.825 177.300 0.028 0.000 1.155 143 P CA 0.550 63.665 63.100 0.026 0.000 0.812 143 P CB 0.652 32.365 31.700 0.022 0.000 0.801 144 G N -1.556 107.263 108.800 0.031 0.000 2.543 144 G HA2 0.114 nan 3.960 nan 0.000 0.290 144 G HA3 0.114 nan 3.960 nan 0.000 0.290 144 G C -0.414 174.511 174.900 0.042 0.000 1.310 144 G CA -1.749 43.370 45.100 0.032 0.000 1.025 144 G HN -0.718 7.552 8.290 0.033 0.040 0.502 145 S N -0.978 114.750 115.700 0.046 0.000 2.634 145 S HA 0.190 nan 4.470 nan 0.000 0.254 145 S C -0.615 174.037 174.600 0.087 0.000 1.299 145 S CA 1.518 59.759 58.200 0.068 0.000 0.974 145 S CB 0.699 63.940 63.200 0.068 0.000 1.001 145 S HN 0.187 8.519 8.310 0.037 0.000 0.584 146 G N -2.682 106.197 108.800 0.132 0.000 2.428 146 G HA2 0.142 nan 3.960 nan 0.000 0.304 146 G HA3 0.142 nan 3.960 nan 0.000 0.304 146 G C -3.020 172.044 174.900 0.273 0.000 1.303 146 G CA 0.437 45.628 45.100 0.153 0.000 0.825 146 G HN -0.170 8.217 8.290 0.162 0.000 0.484 147 F N -2.262 117.685 119.950 -0.005 0.000 3.016 147 F HA 0.452 nan 4.527 nan 0.000 0.324 147 F C -2.050 173.666 175.800 -0.139 0.000 1.196 147 F CA -2.440 55.515 58.000 -0.074 0.000 0.929 147 F CB 3.774 42.843 39.000 0.116 0.000 1.440 147 F HN -0.196 8.226 8.300 0.204 0.000 0.505 148 F N 0.719 120.453 119.950 -0.359 0.000 2.572 148 F HA -0.043 nan 4.527 nan 0.000 0.370 148 F C 1.465 177.255 175.800 -0.018 0.000 1.103 148 F CA 0.735 58.604 58.000 -0.219 0.000 1.286 148 F CB -0.038 38.733 39.000 -0.381 0.000 1.105 148 F HN 0.056 7.599 8.300 -1.263 0.000 0.583 149 S N 5.489 121.265 115.700 0.127 0.000 2.419 149 S HA -0.356 nan 4.470 nan 0.000 0.233 149 S C 1.329 175.930 174.600 0.002 0.000 1.016 149 S CA 2.799 61.040 58.200 0.068 0.000 0.974 149 S CB -0.018 63.190 63.200 0.015 0.000 0.786 149 S HN 0.745 8.999 8.310 0.110 0.122 0.492 150 R N -0.741 119.727 120.500 -0.053 0.000 2.359 150 R HA 0.200 nan 4.340 nan 0.000 0.231 150 R C -1.754 174.573 176.300 0.045 0.000 0.913 150 R CA -0.738 55.229 56.100 -0.222 0.000 1.075 150 R CB 0.202 30.260 30.300 -0.403 0.000 1.087 150 R HN -0.673 7.580 8.270 0.011 0.024 0.515 151 L N -2.651 118.682 121.223 0.184 0.000 2.323 151 L HA 0.485 nan 4.340 nan 0.000 0.265 151 L C -2.435 174.637 176.870 0.336 0.000 1.012 151 L CA -1.447 53.556 54.840 0.272 0.000 0.820 151 L CB 3.629 45.865 42.059 0.294 0.000 1.334 151 L HN -0.569 7.728 8.230 0.223 0.066 0.427 152 N N -0.333 118.510 118.700 0.238 0.000 2.540 152 N HA 0.258 nan 4.740 nan 0.000 0.275 152 N C -2.177 173.366 175.510 0.056 0.000 1.053 152 N CA -0.998 52.137 53.050 0.143 0.000 0.876 152 N CB 1.902 40.441 38.487 0.087 0.000 1.284 152 N HN 0.314 8.804 8.380 0.183 0.000 0.518 153 W N 6.954 128.106 121.300 -0.246 0.000 2.437 153 W HA 0.248 nan 4.660 nan 0.000 0.312 153 W C -2.000 174.375 176.519 -0.241 0.000 1.242 153 W CA -1.958 55.174 57.345 -0.355 0.000 1.340 153 W CB 0.125 29.107 29.460 -0.797 0.000 1.327 153 W HN 0.433 8.636 8.180 0.039 0.000 0.476 154 L N 8.591 129.929 121.223 0.191 0.000 2.307 154 L HA 0.561 nan 4.340 nan 0.000 0.282 154 L C -1.045 176.012 176.870 0.312 0.000 1.051 154 L CA -0.651 54.237 54.840 0.080 0.000 0.804 154 L CB 0.531 42.556 42.059 -0.057 0.000 1.197 154 L HN -0.396 7.997 8.230 0.272 0.000 0.431 155 T N -2.212 112.412 114.554 0.117 0.000 2.864 155 T HA 0.662 nan 4.350 nan 0.000 0.289 155 T C -0.671 174.137 174.700 0.180 0.000 1.082 155 T CA -2.190 59.986 62.100 0.128 0.000 1.009 155 T CB 3.005 71.707 68.868 -0.277 0.000 1.234 155 T HN 0.442 8.669 8.240 -0.023 0.000 0.526 156 K N -1.013 119.510 120.400 0.205 0.000 2.336 156 K HA 0.098 nan 4.320 nan 0.000 0.262 156 K C -0.530 176.074 176.600 0.007 0.000 0.992 156 K CA 0.358 56.744 56.287 0.165 0.000 0.927 156 K CB 0.409 32.984 32.500 0.125 0.000 0.956 156 K HN 0.156 8.456 8.250 0.084 0.000 0.495 157 S N 1.815 117.509 115.700 -0.010 0.000 2.456 157 S HA 0.200 nan 4.470 nan 0.000 0.316 157 S C 0.241 174.837 174.600 -0.007 0.000 1.089 157 S CA -0.918 57.268 58.200 -0.024 0.000 1.101 157 S CB 0.814 63.993 63.200 -0.034 0.000 0.995 157 S HN -0.169 8.137 8.310 -0.006 0.000 0.468 158 G N 8.056 116.848 108.800 -0.013 0.000 2.815 158 G HA2 -0.475 nan 3.960 nan 0.000 0.326 158 G HA3 -0.475 nan 3.960 nan 0.000 0.326 158 G C -0.652 174.249 174.900 0.002 0.000 1.191 158 G CA 2.124 47.219 45.100 -0.007 0.000 0.965 158 G HN 0.527 8.803 8.290 -0.024 0.000 0.564 159 S N 3.962 119.670 115.700 0.013 0.000 2.749 159 S HA 0.250 nan 4.470 nan 0.000 0.246 159 S C -0.965 173.661 174.600 0.044 0.000 1.023 159 S CA -0.437 57.776 58.200 0.023 0.000 1.012 159 S CB 1.397 64.607 63.200 0.017 0.000 0.942 159 S HN -0.181 8.137 8.310 0.013 0.000 0.531 160 T N 1.117 115.706 114.554 0.058 0.000 2.932 160 T HA 0.295 nan 4.350 nan 0.000 0.318 160 T C -2.903 171.883 174.700 0.142 0.000 1.265 160 T CA -0.096 62.059 62.100 0.093 0.000 1.036 160 T CB 2.640 71.545 68.868 0.063 0.000 1.209 160 T HN -0.347 7.919 8.240 0.043 0.000 0.484 161 Y N 3.535 123.861 120.300 0.043 0.000 2.338 161 Y HA 0.408 nan 4.550 nan 0.000 0.328 161 Y C -2.561 173.374 175.900 0.058 0.000 0.965 161 Y CA -3.619 54.518 58.100 0.062 0.000 1.208 161 Y CB 2.021 40.539 38.460 0.097 0.000 1.132 161 Y HN 0.349 8.782 8.280 0.254 0.000 0.469 162 P HA 0.063 nan 4.420 nan 0.000 0.279 162 P C -1.635 175.757 177.300 0.154 0.000 1.282 162 P CA -0.973 62.183 63.100 0.094 0.000 0.788 162 P CB 1.057 32.769 31.700 0.020 0.000 1.139 163 V N -0.848 119.132 119.914 0.111 0.000 2.389 163 V HA -0.001 nan 4.120 nan 0.000 0.264 163 V C -0.077 176.075 176.094 0.095 0.000 1.049 163 V CA -0.234 62.134 62.300 0.114 0.000 0.932 163 V CB -0.505 31.362 31.823 0.073 0.000 1.011 163 V HN -0.019 8.219 8.190 0.079 0.000 0.475 164 L N 8.667 129.968 121.223 0.130 0.000 2.380 164 L HA 0.099 nan 4.340 nan 0.000 0.273 164 L C -0.614 176.324 176.870 0.114 0.000 1.138 164 L CA 0.081 55.011 54.840 0.150 0.000 0.832 164 L CB 0.897 43.109 42.059 0.254 0.000 1.124 164 L HN 0.726 9.061 8.230 0.174 0.000 0.454 165 N N 3.179 121.927 118.700 0.079 0.000 2.710 165 N HA 0.153 nan 4.740 nan 0.000 0.244 165 N C -1.279 174.232 175.510 0.002 0.000 1.321 165 N CA -0.077 52.993 53.050 0.034 0.000 0.758 165 N CB 0.828 39.323 38.487 0.013 0.000 1.284 165 N HN -0.039 8.383 8.380 0.070 0.000 0.530 166 V N -0.309 119.608 119.914 0.005 0.000 2.975 166 V HA 0.733 nan 4.120 nan 0.000 0.318 166 V C -2.426 173.650 176.094 -0.029 0.000 1.077 166 V CA -2.646 59.617 62.300 -0.061 0.000 1.000 166 V CB 3.872 35.584 31.823 -0.186 0.000 1.066 166 V HN 0.530 8.752 8.190 0.054 0.000 0.452 167 T N 2.448 116.969 114.554 -0.056 0.000 2.916 167 T HA 0.600 nan 4.350 nan 0.000 0.305 167 T C -1.848 172.794 174.700 -0.096 0.000 1.119 167 T CA -0.057 62.010 62.100 -0.054 0.000 1.008 167 T CB 1.432 70.261 68.868 -0.063 0.000 1.129 167 T HN -0.102 8.080 8.240 -0.097 0.000 0.480 168 M N 5.831 125.380 119.600 -0.086 0.000 2.149 168 M HA 0.613 nan 4.480 nan 0.000 0.273 168 M C -2.984 173.274 176.300 -0.070 0.000 0.972 168 M CA -2.776 52.443 55.300 -0.136 0.000 0.984 168 M CB 4.020 36.518 32.600 -0.170 0.000 1.699 168 M HN 0.592 8.846 8.290 -0.060 0.000 0.462 169 P HA 0.249 nan 4.420 nan 0.000 0.279 169 P C -1.819 175.437 177.300 -0.073 0.000 1.239 169 P CA -0.776 62.285 63.100 -0.066 0.000 0.789 169 P CB 0.570 32.226 31.700 -0.074 0.000 0.933 170 N N 1.947 120.600 118.700 -0.079 0.000 2.469 170 N HA 0.064 nan 4.740 nan 0.000 0.239 170 N C -0.195 175.212 175.510 -0.172 0.000 1.053 170 N CA -1.233 51.729 53.050 -0.147 0.000 0.937 170 N CB 0.386 38.792 38.487 -0.136 0.000 1.163 170 N HN 0.140 8.483 8.380 -0.063 0.000 0.509 171 N N 4.851 123.436 118.700 -0.192 0.000 2.236 171 N HA 0.014 nan 4.740 nan 0.000 0.196 171 N C -0.237 175.146 175.510 -0.213 0.000 1.114 171 N CA 0.421 53.373 53.050 -0.163 0.000 0.859 171 N CB 1.485 39.903 38.487 -0.115 0.000 0.982 171 N HN 0.211 8.466 8.380 -0.209 0.000 0.493 172 D N 0.376 120.555 120.400 -0.369 0.000 2.447 172 D HA 0.126 nan 4.640 nan 0.000 0.265 172 D C -1.118 174.906 176.300 -0.460 0.000 1.250 172 D CA -0.196 53.501 54.000 -0.505 0.000 1.046 172 D CB 0.807 40.942 40.800 -1.108 0.000 1.095 172 D HN -0.533 7.721 8.370 -0.434 -0.145 0.555 173 N N -1.526 116.939 118.700 -0.392 0.000 2.389 173 N HA 0.067 nan 4.740 nan 0.000 0.260 173 N C -1.584 173.898 175.510 -0.047 0.000 1.191 173 N CA -0.257 52.700 53.050 -0.154 0.000 0.885 173 N CB -0.333 38.142 38.487 -0.020 0.000 1.162 173 N HN 0.245 8.392 8.380 -0.388 0.000 0.512 174 F N -3.854 116.076 119.950 -0.034 0.000 2.643 174 F HA 0.214 nan 4.527 nan 0.000 0.314 174 F C -1.828 173.943 175.800 -0.048 0.000 1.096 174 F CA -2.101 55.883 58.000 -0.028 0.000 0.953 174 F CB 2.094 41.086 39.000 -0.014 0.000 1.345 174 F HN -0.851 6.863 8.300 -0.859 0.071 0.468 175 D N 0.426 120.973 120.400 0.245 0.000 2.341 175 D HA 0.091 nan 4.640 nan 0.000 0.245 175 D C -0.839 175.582 176.300 0.201 0.000 1.106 175 D CA 0.262 54.352 54.000 0.150 0.000 0.905 175 D CB 1.007 41.885 40.800 0.130 0.000 1.202 175 D HN 0.070 8.589 8.370 0.248 0.000 0.426 176 K N 0.229 120.668 120.400 0.066 0.000 2.323 176 K HA 0.659 nan 4.320 nan 0.000 0.259 176 K C -1.451 175.175 176.600 0.044 0.000 0.947 176 K CA -1.252 55.004 56.287 -0.052 0.000 0.819 176 K CB 2.685 34.934 32.500 -0.417 0.000 1.109 176 K HN 0.139 8.425 8.250 0.059 0.000 0.429 177 L N 5.786 127.085 121.223 0.127 0.000 2.257 177 L HA 0.465 nan 4.340 nan 0.000 0.290 177 L C -2.126 174.899 176.870 0.258 0.000 1.044 177 L CA -0.931 54.053 54.840 0.241 0.000 0.810 177 L CB 1.514 43.711 42.059 0.229 0.000 1.193 177 L HN 0.397 8.742 8.230 0.191 0.000 0.425 178 Y N 7.429 128.018 120.300 0.482 0.000 2.331 178 Y HA 0.275 nan 4.550 nan 0.000 0.338 178 Y C -1.082 175.151 175.900 0.556 0.000 0.992 178 Y CA -0.930 57.494 58.100 0.539 0.000 1.121 178 Y CB 1.976 40.733 38.460 0.495 0.000 1.184 178 Y HN 0.964 9.614 8.280 0.616 0.000 0.469 179 I N 4.840 125.801 120.570 0.652 0.000 2.336 179 I HA 0.416 nan 4.170 nan 0.000 0.292 179 I C -0.857 175.512 176.117 0.419 0.000 0.991 179 I CA -2.053 59.480 61.300 0.389 0.000 1.227 179 I CB 0.164 38.319 38.000 0.258 0.000 1.366 179 I HN 0.411 9.055 8.210 0.724 0.000 0.466 180 W N 2.584 124.012 121.300 0.213 0.000 3.165 180 W HA 0.772 nan 4.660 nan 0.000 0.351 180 W C -2.722 173.868 176.519 0.118 0.000 1.164 180 W CA -1.851 55.576 57.345 0.137 0.000 1.074 180 W CB 2.082 31.608 29.460 0.110 0.000 1.499 180 W HN 0.686 8.706 8.180 -0.266 0.000 0.600 181 G N -3.329 105.721 108.800 0.416 0.000 2.663 181 G HA2 0.736 nan 3.960 nan 0.000 0.299 181 G HA3 0.736 nan 3.960 nan 0.000 0.299 181 G C -3.374 171.693 174.900 0.278 0.000 1.372 181 G CA -0.401 44.832 45.100 0.222 0.000 0.781 181 G HN 0.111 8.715 8.290 0.524 0.000 0.491 182 I N -1.476 119.166 120.570 0.119 0.000 2.686 182 I HA 0.613 nan 4.170 nan 0.000 0.295 182 I C -2.581 173.411 176.117 -0.210 0.000 1.114 182 I CA -1.955 59.322 61.300 -0.039 0.000 1.038 182 I CB 3.892 41.878 38.000 -0.025 0.000 1.238 182 I HN -0.016 8.243 8.210 0.083 0.000 0.420 183 H N 9.286 128.139 119.070 -0.362 0.000 2.517 183 H HA 0.324 nan 4.556 nan 0.000 0.317 183 H C -1.479 173.680 175.328 -0.282 0.000 1.080 183 H CA -1.566 54.293 56.048 -0.314 0.000 1.301 183 H CB 1.850 31.473 29.762 -0.232 0.000 1.425 183 H HN 0.165 8.332 8.280 -0.189 0.000 0.471 184 H N 7.873 126.757 119.070 -0.310 0.000 2.690 184 H HA 0.368 nan 4.556 nan 0.000 0.289 184 H C -2.078 173.019 175.328 -0.385 0.000 1.089 184 H CA -2.021 53.891 56.048 -0.227 0.000 1.299 184 H CB 0.567 30.271 29.762 -0.095 0.000 1.405 184 H HN 0.559 8.629 8.280 -0.350 0.000 0.463 185 P HA 0.133 nan 4.420 nan 0.000 0.274 185 P C -0.222 177.121 177.300 0.072 0.000 1.237 185 P CA -0.091 63.018 63.100 0.015 0.000 0.793 185 P CB 0.939 32.775 31.700 0.227 0.000 0.977 186 S N 0.359 116.124 115.700 0.108 0.000 2.425 186 S HA -0.109 nan 4.470 nan 0.000 0.225 186 S C -0.835 173.820 174.600 0.092 0.000 1.024 186 S CA 3.106 61.364 58.200 0.096 0.000 0.951 186 S CB 0.808 64.074 63.200 0.110 0.000 0.796 186 S HN 0.653 9.527 8.310 0.148 -0.475 0.498 187 T N -5.654 108.962 114.554 0.104 0.000 2.906 187 T HA 0.272 nan 4.350 nan 0.000 0.295 187 T C 0.047 174.802 174.700 0.091 0.000 1.061 187 T CA -2.462 59.691 62.100 0.088 0.000 1.000 187 T CB 3.821 72.739 68.868 0.084 0.000 1.103 187 T HN -0.550 7.765 8.240 0.124 0.000 0.486 188 N N 2.202 120.946 118.700 0.074 0.000 2.223 188 N HA -0.400 nan 4.740 nan 0.000 0.185 188 N C 1.714 177.266 175.510 0.071 0.000 1.016 188 N CA 3.966 57.059 53.050 0.072 0.000 0.863 188 N CB -0.266 38.254 38.487 0.056 0.000 0.983 188 N HN 0.529 8.948 8.380 0.064 0.000 0.429 189 Q N 0.417 120.256 119.800 0.064 0.000 2.020 189 Q HA -0.283 nan 4.340 nan 0.000 0.202 189 Q C 1.620 177.656 176.000 0.060 0.000 0.982 189 Q CA 3.449 59.284 55.803 0.054 0.000 0.838 189 Q CB -0.505 28.263 28.738 0.050 0.000 0.899 189 Q HN 0.252 8.538 8.270 0.063 0.022 0.423 190 E N -0.402 119.849 120.200 0.085 0.000 2.097 190 E HA -0.474 nan 4.350 nan 0.000 0.196 190 E C 2.021 178.688 176.600 0.112 0.000 1.000 190 E CA 3.105 59.569 56.400 0.106 0.000 0.804 190 E CB -0.235 29.564 29.700 0.166 0.000 0.740 190 E HN -0.393 8.021 8.360 0.091 0.000 0.454 191 Q N -1.188 118.705 119.800 0.154 0.000 2.030 191 Q HA -0.325 nan 4.340 nan 0.000 0.204 191 Q C 2.339 178.413 176.000 0.123 0.000 0.986 191 Q CA 3.149 59.082 55.803 0.218 0.000 0.843 191 Q CB -0.277 28.569 28.738 0.181 0.000 0.904 191 Q HN -0.137 8.146 8.270 0.142 0.072 0.420 192 T N -3.282 111.312 114.554 0.067 0.000 2.942 192 T HA -0.143 nan 4.350 nan 0.000 0.265 192 T C 2.766 177.458 174.700 -0.014 0.000 1.062 192 T CA 3.491 65.612 62.100 0.035 0.000 1.139 192 T CB -0.982 67.908 68.868 0.036 0.000 0.883 192 T HN -0.238 7.958 8.240 0.069 0.085 0.468 193 S N 4.375 120.057 115.700 -0.030 0.000 2.353 193 S HA -0.360 nan 4.470 nan 0.000 0.222 193 S C 1.893 176.398 174.600 -0.158 0.000 1.035 193 S CA 4.164 62.323 58.200 -0.067 0.000 1.025 193 S CB -0.219 62.951 63.200 -0.050 0.000 0.902 193 S HN 0.142 8.451 8.310 -0.002 0.000 0.440 194 L N -0.286 120.757 121.223 -0.301 0.000 2.102 194 L HA -0.195 nan 4.340 nan 0.000 0.202 194 L C 1.510 177.972 176.870 -0.679 0.000 1.076 194 L CA 3.289 57.744 54.840 -0.641 0.000 0.761 194 L CB 0.483 41.858 42.059 -1.140 0.000 0.921 194 L HN -0.073 8.017 8.230 -0.233 0.000 0.444 195 Y N -6.763 113.511 120.300 -0.044 0.000 2.481 195 Y HA 0.036 nan 4.550 nan 0.000 0.247 195 Y C 0.829 176.663 175.900 -0.110 0.000 1.151 195 Y CA 0.311 58.290 58.100 -0.202 0.000 1.238 195 Y CB -0.391 37.863 38.460 -0.343 0.000 1.179 195 Y HN 0.244 8.323 8.280 -0.335 0.000 0.524 196 V N -2.361 117.578 119.914 0.042 0.000 0.595 196 V HA -0.643 nan 4.120 nan 0.000 0.092 196 V C 0.535 176.663 176.094 0.057 0.000 1.786 196 V CA 2.967 65.300 62.300 0.056 0.000 3.384 196 V CB -1.187 30.690 31.823 0.090 0.000 0.670 196 V HN -0.345 7.753 8.190 -0.010 0.086 0.691 197 Q N -0.154 119.680 119.800 0.056 0.000 2.304 197 Q HA -0.083 nan 4.340 nan 0.000 0.301 197 Q C -0.318 175.709 176.000 0.046 0.000 1.063 197 Q CA 0.313 56.141 55.803 0.042 0.000 0.947 197 Q CB 0.469 29.220 28.738 0.020 0.000 1.201 197 Q HN -0.156 8.105 8.270 0.059 0.044 0.389 198 A N 2.858 125.703 122.820 0.041 0.000 2.235 198 A HA -0.042 nan 4.320 nan 0.000 0.208 198 A C -0.701 176.908 177.584 0.041 0.000 1.172 198 A CA 1.210 53.275 52.037 0.047 0.000 0.786 198 A CB 0.153 19.177 19.000 0.039 0.000 0.804 198 A HN 0.255 8.427 8.150 0.036 0.000 0.479 199 S N -3.127 112.588 115.700 0.024 0.000 2.750 199 S HA 0.159 nan 4.470 nan 0.000 0.276 199 S C -0.769 173.818 174.600 -0.021 0.000 1.165 199 S CA -0.490 57.716 58.200 0.010 0.000 1.047 199 S CB 0.723 63.929 63.200 0.011 0.000 1.056 199 S HN -0.831 7.416 8.310 0.020 0.074 0.481 200 G N 2.796 111.562 108.800 -0.057 0.000 2.621 200 G HA2 0.276 nan 3.960 nan 0.000 0.271 200 G HA3 0.276 nan 3.960 nan 0.000 0.271 200 G C -1.993 172.854 174.900 -0.088 0.000 1.236 200 G CA -0.446 44.579 45.100 -0.125 0.000 0.958 200 G HN 0.134 8.399 8.290 -0.042 0.000 0.512 201 R N -1.809 118.629 120.500 -0.103 0.000 2.633 201 R HA 0.272 nan 4.340 nan 0.000 0.255 201 R C -2.190 174.058 176.300 -0.088 0.000 1.106 201 R CA 0.283 56.339 56.100 -0.073 0.000 0.959 201 R CB 3.273 33.544 30.300 -0.048 0.000 1.259 201 R HN -0.346 7.838 8.270 -0.142 0.000 0.453 202 V N 6.376 126.234 119.914 -0.094 0.000 2.531 202 V HA 0.663 nan 4.120 nan 0.000 0.301 202 V C -1.981 174.009 176.094 -0.173 0.000 1.034 202 V CA -1.019 61.199 62.300 -0.137 0.000 0.865 202 V CB 3.178 34.933 31.823 -0.114 0.000 0.995 202 V HN 0.748 8.890 8.190 -0.080 0.000 0.424 203 T N 9.441 123.871 114.554 -0.206 0.000 2.847 203 T HA 0.594 nan 4.350 nan 0.000 0.291 203 T C -1.955 172.561 174.700 -0.306 0.000 0.998 203 T CA -0.512 61.466 62.100 -0.204 0.000 0.967 203 T CB 1.187 69.983 68.868 -0.121 0.000 0.954 203 T HN 0.639 8.763 8.240 -0.194 0.000 0.441 204 V N 7.888 127.559 119.914 -0.405 0.000 2.448 204 V HA 0.810 nan 4.120 nan 0.000 0.295 204 V C -1.830 174.134 176.094 -0.217 0.000 1.025 204 V CA -1.704 60.322 62.300 -0.458 0.000 0.859 204 V CB 1.654 32.906 31.823 -0.952 0.000 0.988 204 V HN 0.873 8.859 8.190 -0.340 0.000 0.431 205 S N 6.239 121.846 115.700 -0.154 0.000 2.651 205 S HA 0.877 nan 4.470 nan 0.000 0.279 205 S C -1.333 173.235 174.600 -0.054 0.000 1.148 205 S CA -1.540 56.612 58.200 -0.081 0.000 0.837 205 S CB 3.366 66.523 63.200 -0.072 0.000 1.138 205 S HN 0.502 8.709 8.310 -0.172 0.000 0.478 206 T N -4.395 110.144 114.554 -0.025 0.000 2.693 206 T HA 0.598 nan 4.350 nan 0.000 0.278 206 T C 0.746 175.438 174.700 -0.012 0.000 0.994 206 T CA -1.589 60.505 62.100 -0.010 0.000 1.033 206 T CB 2.698 71.577 68.868 0.019 0.000 1.342 206 T HN 0.358 8.584 8.240 -0.022 0.000 0.538 207 R N -0.799 119.696 120.500 -0.007 0.000 2.148 207 R HA -0.169 nan 4.340 nan 0.000 0.227 207 R C 1.623 177.921 176.300 -0.004 0.000 1.103 207 R CA 2.748 58.843 56.100 -0.009 0.000 0.983 207 R CB 0.280 30.575 30.300 -0.008 0.000 0.874 207 R HN 0.338 9.095 8.270 -0.004 -0.489 0.451 208 R N -3.382 117.121 120.500 0.004 0.000 2.189 208 R HA -0.010 nan 4.340 nan 0.000 0.203 208 R C 0.006 176.308 176.300 0.004 0.000 1.012 208 R CA 1.016 57.121 56.100 0.007 0.000 1.015 208 R CB 0.783 31.094 30.300 0.018 0.000 0.938 208 R HN 0.048 8.284 8.270 0.007 0.038 0.472 209 S N -2.771 112.929 115.700 0.000 0.000 2.671 209 S HA 0.308 nan 4.470 nan 0.000 0.277 209 S C -2.236 172.353 174.600 -0.017 0.000 1.165 209 S CA -1.087 57.108 58.200 -0.007 0.000 0.822 209 S CB 2.556 65.754 63.200 -0.004 0.000 1.150 209 S HN -0.592 7.717 8.310 -0.001 0.000 0.479 210 Q N -3.616 116.169 119.800 -0.024 0.000 2.426 210 Q HA 0.569 nan 4.340 nan 0.000 0.278 210 Q C -1.738 174.242 176.000 -0.033 0.000 1.007 210 Q CA -0.521 55.260 55.803 -0.037 0.000 0.850 210 Q CB 3.343 32.057 28.738 -0.041 0.000 1.427 210 Q HN 0.048 8.304 8.270 -0.022 0.000 0.391 211 Q N 0.591 120.368 119.800 -0.038 0.000 2.304 211 Q HA 0.397 nan 4.340 nan 0.000 0.270 211 Q C -1.889 174.073 176.000 -0.064 0.000 1.035 211 Q CA -0.438 55.351 55.803 -0.024 0.000 0.781 211 Q CB 4.442 33.221 28.738 0.068 0.000 1.261 211 Q HN 0.544 8.775 8.270 -0.065 0.000 0.444 212 T N 5.934 120.448 114.554 -0.066 0.000 2.809 212 T HA 0.710 nan 4.350 nan 0.000 0.284 212 T C -1.006 173.648 174.700 -0.076 0.000 0.992 212 T CA -0.682 61.371 62.100 -0.077 0.000 0.957 212 T CB 0.714 69.546 68.868 -0.060 0.000 0.942 212 T HN 0.077 8.284 8.240 -0.055 0.000 0.439 213 I N 6.492 127.011 120.570 -0.086 0.000 2.474 213 I HA 0.352 nan 4.170 nan 0.000 0.294 213 I C -1.974 174.125 176.117 -0.030 0.000 1.005 213 I CA -1.575 59.678 61.300 -0.078 0.000 1.113 213 I CB 3.652 41.540 38.000 -0.187 0.000 1.289 213 I HN 0.938 9.098 8.210 -0.084 0.000 0.436 214 I N 0.306 120.881 120.570 0.008 0.000 2.493 214 I HA 0.665 nan 4.170 nan 0.000 0.298 214 I C -2.090 174.070 176.117 0.071 0.000 0.998 214 I CA -3.852 57.455 61.300 0.011 0.000 1.137 214 I CB 1.779 39.785 38.000 0.009 0.000 1.310 214 I HN -0.111 8.115 8.210 0.028 0.000 0.445 215 P HA 0.075 nan 4.420 nan 0.000 0.273 215 P C -2.206 175.246 177.300 0.254 0.000 1.250 215 P CA -0.442 62.749 63.100 0.152 0.000 0.793 215 P CB 0.781 32.467 31.700 -0.024 0.000 1.011 216 N N -1.279 117.671 118.700 0.417 0.000 2.480 216 N HA 0.275 nan 4.740 nan 0.000 0.289 216 N C -0.894 174.670 175.510 0.090 0.000 1.073 216 N CA -0.489 52.632 53.050 0.118 0.000 0.885 216 N CB 3.194 41.653 38.487 -0.046 0.000 1.421 216 N HN 0.157 9.131 8.380 0.991 0.000 0.503 217 I N 2.592 123.205 120.570 0.072 0.000 2.519 217 I HA 0.246 nan 4.170 nan 0.000 0.287 217 I C 0.202 176.343 176.117 0.041 0.000 1.047 217 I CA 0.600 61.940 61.300 0.067 0.000 1.381 217 I CB 0.566 38.609 38.000 0.072 0.000 1.417 217 I HN 0.433 8.681 8.210 0.063 0.000 0.540 218 G N 5.097 113.923 108.800 0.043 0.000 2.347 218 G HA2 -0.131 nan 3.960 nan 0.000 0.303 218 G HA3 -0.131 nan 3.960 nan 0.000 0.303 218 G C -2.645 172.279 174.900 0.040 0.000 1.481 218 G CA -0.380 44.740 45.100 0.033 0.000 0.914 218 G HN -0.094 8.228 8.290 0.055 0.000 0.638 219 S N 0.577 116.304 115.700 0.045 0.000 2.513 219 S HA 0.539 nan 4.470 nan 0.000 0.276 219 S C -0.530 174.097 174.600 0.046 0.000 1.254 219 S CA -0.290 57.946 58.200 0.060 0.000 1.053 219 S CB 0.959 64.203 63.200 0.073 0.000 0.958 219 S HN 0.025 8.359 8.310 0.041 0.000 0.491 220 R N 5.538 126.070 120.500 0.053 0.000 2.810 220 R HA 0.492 nan 4.340 nan 0.000 0.245 220 R C -2.493 173.851 176.300 0.073 0.000 1.168 220 R CA -2.715 53.409 56.100 0.040 0.000 1.096 220 R CB -0.112 30.201 30.300 0.021 0.000 1.259 220 R HN -0.455 7.854 8.270 0.064 0.000 0.518 221 P HA -0.006 nan 4.420 nan 0.000 0.271 221 P C -0.820 176.579 177.300 0.165 0.000 1.216 221 P CA -0.820 62.346 63.100 0.110 0.000 0.776 221 P CB 0.508 32.250 31.700 0.070 0.000 0.881 222 W N 3.817 125.110 121.300 -0.010 0.000 2.520 222 W HA -0.178 nan 4.660 nan 0.000 0.337 222 W C -1.803 174.704 176.519 -0.021 0.000 1.406 222 W CA 1.541 58.879 57.345 -0.012 0.000 1.318 222 W CB 0.359 29.814 29.460 -0.009 0.000 1.338 222 W HN -0.020 8.376 8.180 0.360 0.000 0.570 223 V N 9.441 129.292 119.914 -0.105 0.000 2.525 223 V HA 0.196 nan 4.120 nan 0.000 0.299 223 V C -0.241 175.684 176.094 -0.281 0.000 1.034 223 V CA -1.362 60.872 62.300 -0.109 0.000 0.863 223 V CB 2.725 34.505 31.823 -0.073 0.000 0.999 223 V HN 0.461 8.505 8.190 -0.243 0.000 0.423 224 R N 5.588 125.961 120.500 -0.212 0.000 3.322 224 R HA -0.312 nan 4.340 nan 0.000 0.253 224 R C -0.528 175.512 176.300 -0.433 0.000 0.987 224 R CA 0.815 56.778 56.100 -0.228 0.000 0.666 224 R CB -1.538 28.666 30.300 -0.160 0.000 1.072 224 R HN 0.908 9.126 8.270 -0.087 0.000 0.447 225 G N -6.531 101.755 108.800 -0.856 0.000 2.179 225 G HA2 -0.392 nan 3.960 nan 0.000 0.260 225 G HA3 -0.392 nan 3.960 nan 0.000 0.260 225 G C -1.154 172.798 174.900 -1.580 0.000 0.977 225 G CA 0.053 44.353 45.100 -1.334 0.000 0.641 225 G HN -0.126 7.599 8.290 -0.923 0.012 0.533 226 L N -1.242 119.364 121.223 -1.029 0.000 2.333 226 L HA 0.354 nan 4.340 nan 0.000 0.269 226 L C -0.266 176.406 176.870 -0.330 0.000 1.010 226 L CA -1.240 53.242 54.840 -0.597 0.000 0.818 226 L CB 2.281 44.067 42.059 -0.456 0.000 1.306 226 L HN -0.317 7.223 8.230 -0.837 0.188 0.430 227 S N 0.666 116.306 115.700 -0.099 0.000 2.539 227 S HA 0.056 nan 4.470 nan 0.000 0.221 227 S C -0.696 173.934 174.600 0.050 0.000 0.987 227 S CA 0.448 58.671 58.200 0.038 0.000 0.929 227 S CB 0.569 63.844 63.200 0.125 0.000 0.832 227 S HN 0.569 8.833 8.310 -0.077 0.000 0.492 228 S N 2.660 118.402 115.700 0.071 0.000 2.655 228 S HA 0.449 nan 4.470 nan 0.000 0.265 228 S C -0.413 174.293 174.600 0.176 0.000 1.240 228 S CA 0.264 58.539 58.200 0.124 0.000 0.986 228 S CB 1.101 64.442 63.200 0.235 0.000 0.985 228 S HN -0.278 8.065 8.310 0.054 0.000 0.562 229 R N -2.508 118.115 120.500 0.204 0.000 2.774 229 R HA 0.709 nan 4.340 nan 0.000 0.272 229 R C -2.008 174.464 176.300 0.286 0.000 1.000 229 R CA -2.276 53.992 56.100 0.281 0.000 0.906 229 R CB 4.492 34.911 30.300 0.198 0.000 1.227 229 R HN -0.139 8.183 8.270 0.087 0.000 0.468 230 I N -3.585 117.163 120.570 0.297 0.000 2.569 230 I HA 0.805 nan 4.170 nan 0.000 0.296 230 I C -1.518 174.696 176.117 0.161 0.000 1.028 230 I CA -2.234 59.150 61.300 0.140 0.000 1.082 230 I CB 2.960 40.982 38.000 0.037 0.000 1.264 230 I HN 0.263 8.694 8.210 0.369 0.000 0.429 231 S N 3.452 119.212 115.700 0.100 0.000 2.475 231 S HA 0.664 nan 4.470 nan 0.000 0.298 231 S C -1.043 173.452 174.600 -0.176 0.000 1.119 231 S CA -1.006 57.209 58.200 0.026 0.000 1.085 231 S CB 1.498 64.773 63.200 0.126 0.000 1.028 231 S HN 0.103 8.426 8.310 0.021 0.000 0.489 232 I N 3.802 124.181 120.570 -0.319 0.000 2.385 232 I HA 0.391 nan 4.170 nan 0.000 0.294 232 I C -1.477 174.179 176.117 -0.769 0.000 0.988 232 I CA -1.408 59.649 61.300 -0.405 0.000 1.265 232 I CB -0.119 37.712 38.000 -0.283 0.000 1.388 232 I HN 0.283 8.357 8.210 -0.225 0.000 0.480 233 Y N 3.944 123.884 120.300 -0.599 0.000 2.634 233 Y HA 0.305 nan 4.550 nan 0.000 0.340 233 Y C -1.965 173.527 175.900 -0.680 0.000 1.058 233 Y CA -1.731 55.876 58.100 -0.823 0.000 1.081 233 Y CB 4.572 42.028 38.460 -1.672 0.000 1.295 233 Y HN 0.590 8.523 8.280 -0.578 0.000 0.487 234 W N -3.385 117.732 121.300 -0.304 0.000 3.107 234 W HA 0.704 nan 4.660 nan 0.000 0.331 234 W C -2.100 174.566 176.519 0.246 0.000 1.204 234 W CA -2.053 55.274 57.345 -0.030 0.000 1.184 234 W CB 3.253 32.695 29.460 -0.030 0.000 1.421 234 W HN -0.010 7.876 8.180 -0.491 0.000 0.544 235 T N 2.449 117.362 114.554 0.598 0.000 2.991 235 T HA 0.305 nan 4.350 nan 0.000 0.303 235 T C -1.760 173.255 174.700 0.524 0.000 1.015 235 T CA -0.279 62.091 62.100 0.451 0.000 1.007 235 T CB 2.630 71.780 68.868 0.471 0.000 1.034 235 T HN 0.598 9.264 8.240 0.710 0.000 0.446 236 I N 5.083 125.911 120.570 0.430 0.000 2.385 236 I HA 0.630 nan 4.170 nan 0.000 0.294 236 I C -0.686 175.598 176.117 0.279 0.000 0.988 236 I CA -0.290 61.231 61.300 0.368 0.000 1.265 236 I CB 1.555 39.761 38.000 0.344 0.000 1.388 236 I HN 0.157 8.564 8.210 0.328 0.000 0.480 237 V N 7.747 127.812 119.914 0.252 0.000 2.409 237 V HA 0.261 nan 4.120 nan 0.000 0.291 237 V C -1.127 175.021 176.094 0.090 0.000 1.020 237 V CA -1.623 60.787 62.300 0.182 0.000 0.848 237 V CB 1.320 33.297 31.823 0.258 0.000 0.990 237 V HN 0.843 9.070 8.190 0.241 0.108 0.430 238 K N 7.182 127.619 120.400 0.061 0.000 2.126 238 K HA 0.396 nan 4.320 nan 0.000 0.257 238 K C -2.160 174.424 176.600 -0.026 0.000 1.007 238 K CA -2.079 54.224 56.287 0.027 0.000 0.928 238 K CB 0.274 32.794 32.500 0.034 0.000 1.013 238 K HN 0.268 8.557 8.250 0.066 0.000 0.473 239 P HA -0.255 nan 4.420 nan 0.000 0.264 239 P C -0.583 176.673 177.300 -0.072 0.000 1.193 239 P CA 1.168 64.204 63.100 -0.107 0.000 0.763 239 P CB -0.297 31.342 31.700 -0.102 0.000 0.810 240 G N 4.334 113.082 108.800 -0.085 0.000 2.225 240 G HA2 -0.508 nan 3.960 nan 0.000 0.254 240 G HA3 -0.508 nan 3.960 nan 0.000 0.254 240 G C -0.763 174.111 174.900 -0.044 0.000 0.988 240 G CA 0.145 45.209 45.100 -0.060 0.000 0.625 240 G HN 0.482 8.702 8.290 -0.118 0.000 0.527 241 D N -0.165 120.214 120.400 -0.035 0.000 2.469 241 D HA 0.285 nan 4.640 nan 0.000 0.278 241 D C -1.615 174.672 176.300 -0.022 0.000 1.231 241 D CA -0.523 53.466 54.000 -0.018 0.000 1.075 241 D CB 2.919 43.721 40.800 0.004 0.000 1.121 241 D HN -0.414 7.864 8.370 -0.041 0.068 0.571 242 V N -1.940 117.965 119.914 -0.014 0.000 2.891 242 V HA 0.411 nan 4.120 nan 0.000 0.304 242 V C -1.980 174.099 176.094 -0.024 0.000 1.171 242 V CA -1.629 60.657 62.300 -0.024 0.000 0.943 242 V CB 3.315 35.116 31.823 -0.036 0.000 1.037 242 V HN -0.188 7.998 8.190 -0.006 0.000 0.427 243 L N 8.820 130.018 121.223 -0.041 0.000 2.312 243 L HA 0.566 nan 4.340 nan 0.000 0.281 243 L C -1.858 174.963 176.870 -0.081 0.000 1.070 243 L CA -0.717 54.071 54.840 -0.088 0.000 0.805 243 L CB 2.771 44.696 42.059 -0.224 0.000 1.174 243 L HN 0.464 8.565 8.230 -0.039 0.106 0.434 244 V N 7.530 127.389 119.914 -0.091 0.000 2.483 244 V HA 0.535 nan 4.120 nan 0.000 0.297 244 V C -1.471 174.557 176.094 -0.110 0.000 1.027 244 V CA -1.072 61.183 62.300 -0.075 0.000 0.855 244 V CB 2.157 33.943 31.823 -0.063 0.000 0.995 244 V HN 0.598 8.726 8.190 -0.102 0.000 0.424 245 I N 8.033 128.558 120.570 -0.075 0.000 2.339 245 I HA 0.505 nan 4.170 nan 0.000 0.290 245 I C -2.213 173.884 176.117 -0.032 0.000 0.994 245 I CA -0.920 60.313 61.300 -0.112 0.000 1.191 245 I CB 1.703 39.678 38.000 -0.042 0.000 1.343 245 I HN 0.809 9.006 8.210 -0.021 0.000 0.458 246 N N 8.455 127.107 118.700 -0.080 0.000 2.410 246 N HA 0.529 nan 4.740 nan 0.000 0.287 246 N C -2.486 173.005 175.510 -0.033 0.000 1.044 246 N CA -0.729 52.306 53.050 -0.026 0.000 0.881 246 N CB 3.313 41.777 38.487 -0.039 0.000 1.405 246 N HN 0.583 8.870 8.380 -0.155 0.000 0.490 247 S N 3.453 119.172 115.700 0.031 0.000 2.607 247 S HA 0.575 nan 4.470 nan 0.000 0.273 247 S C -2.565 172.105 174.600 0.116 0.000 1.148 247 S CA -1.307 56.913 58.200 0.032 0.000 0.833 247 S CB 2.912 66.123 63.200 0.017 0.000 1.130 247 S HN 0.479 8.731 8.310 0.077 0.104 0.470 248 N N 2.099 120.845 118.700 0.077 0.000 2.143 248 N HA 0.303 nan 4.740 nan 0.000 0.229 248 N C -1.193 174.287 175.510 -0.051 0.000 1.294 248 N CA -1.336 51.775 53.050 0.101 0.000 0.883 248 N CB 2.831 41.343 38.487 0.041 0.000 1.148 248 N HN -0.118 8.263 8.380 0.002 0.000 0.511 249 G N -1.462 107.193 108.800 -0.242 0.000 2.352 249 G HA2 -0.064 nan 3.960 nan 0.000 0.303 249 G HA3 -0.064 nan 3.960 nan 0.000 0.303 249 G C -1.900 172.627 174.900 -0.623 0.000 1.593 249 G CA 0.179 44.845 45.100 -0.722 0.000 0.963 249 G HN -0.530 7.710 8.290 -0.082 0.000 0.685 250 N N -4.267 113.758 118.700 -1.125 0.000 2.936 250 N HA -0.462 nan 4.740 nan 0.000 0.236 250 N C -0.816 174.454 175.510 -0.400 0.000 0.930 250 N CA 1.840 54.270 53.050 -1.033 0.000 0.966 250 N CB -0.633 37.474 38.487 -0.634 0.000 1.090 250 N HN 0.476 7.955 8.380 -1.502 0.000 0.592 251 L N -0.295 120.806 121.223 -0.202 0.000 2.410 251 L HA 0.147 nan 4.340 nan 0.000 0.273 251 L C -1.714 175.121 176.870 -0.058 0.000 1.152 251 L CA 0.973 55.759 54.840 -0.091 0.000 0.855 251 L CB 0.746 42.744 42.059 -0.101 0.000 1.129 251 L HN -0.866 7.216 8.230 -0.170 0.046 0.463 252 I N 7.207 127.766 120.570 -0.020 0.000 2.337 252 I HA 0.242 nan 4.170 nan 0.000 0.285 252 I C -1.291 174.843 176.117 0.028 0.000 1.041 252 I CA -2.450 58.852 61.300 0.002 0.000 1.199 252 I CB -1.518 36.500 38.000 0.031 0.000 1.370 252 I HN 0.055 8.292 8.210 0.046 0.000 0.470 253 A N 9.027 131.773 122.820 -0.123 0.000 2.351 253 A HA 0.415 nan 4.320 nan 0.000 0.257 253 A C -2.584 175.004 177.584 0.007 0.000 1.087 253 A CA -2.382 49.521 52.037 -0.224 0.000 0.798 253 A CB -0.175 18.365 19.000 -0.767 0.000 1.033 253 A HN 0.743 8.794 8.150 -0.165 0.000 0.488 254 P HA 0.214 nan 4.420 nan 0.000 0.274 254 P C -0.728 176.734 177.300 0.270 0.000 1.231 254 P CA -0.286 62.964 63.100 0.251 0.000 0.790 254 P CB 0.752 32.677 31.700 0.375 0.000 0.951 255 R N -1.360 119.432 120.500 0.487 0.000 2.362 255 R HA 0.182 nan 4.340 nan 0.000 0.227 255 R C -0.488 176.190 176.300 0.630 0.000 0.905 255 R CA 0.259 56.698 56.100 0.565 0.000 1.067 255 R CB 1.208 31.808 30.300 0.500 0.000 1.078 255 R HN -0.222 8.368 8.270 0.533 0.000 0.516 256 G N -3.190 105.964 108.800 0.589 0.000 2.367 256 G HA2 0.160 nan 3.960 nan 0.000 0.272 256 G HA3 0.160 nan 3.960 nan 0.000 0.272 256 G C -3.073 171.791 174.900 -0.059 0.000 1.271 256 G CA 0.248 45.443 45.100 0.158 0.000 0.893 256 G HN -0.556 8.103 8.290 0.698 0.049 0.485 257 Y N -4.629 115.265 120.300 -0.677 0.000 2.562 257 Y HA 0.976 nan 4.550 nan 0.000 0.343 257 Y C -1.900 173.647 175.900 -0.588 0.000 1.025 257 Y CA -3.510 54.234 58.100 -0.593 0.000 1.082 257 Y CB 2.523 40.587 38.460 -0.661 0.000 1.264 257 Y HN -0.211 7.424 8.280 -1.075 0.000 0.478 258 F N 0.387 120.395 119.950 0.096 0.000 2.399 258 F HA 0.518 nan 4.527 nan 0.000 0.334 258 F C -0.672 175.239 175.800 0.185 0.000 1.097 258 F CA -0.809 57.272 58.000 0.135 0.000 1.076 258 F CB 2.208 41.310 39.000 0.169 0.000 1.162 258 F HN 0.490 9.063 8.300 0.454 0.000 0.495 259 K N 0.409 120.967 120.400 0.262 0.000 2.098 259 K HA 0.664 nan 4.320 nan 0.000 0.258 259 K C -0.954 175.701 176.600 0.090 0.000 0.973 259 K CA -1.259 55.139 56.287 0.185 0.000 0.898 259 K CB 1.535 34.001 32.500 -0.057 0.000 1.057 259 K HN 0.183 8.538 8.250 0.174 0.000 0.447 260 M N 2.112 121.751 119.600 0.066 0.000 2.404 260 M HA 0.275 nan 4.480 nan 0.000 0.338 260 M C -0.629 175.656 176.300 -0.024 0.000 1.150 260 M CA -0.241 55.074 55.300 0.025 0.000 1.016 260 M CB 2.249 34.883 32.600 0.057 0.000 1.672 260 M HN -0.393 7.961 8.290 0.107 0.000 0.448 261 R N -0.623 119.844 120.500 -0.055 0.000 2.987 261 R HA 0.403 nan 4.340 nan 0.000 0.248 261 R C -0.996 175.275 176.300 -0.050 0.000 1.264 261 R CA -1.624 54.441 56.100 -0.058 0.000 1.026 261 R CB 2.019 32.264 30.300 -0.093 0.000 1.286 261 R HN 0.095 8.324 8.270 -0.068 0.000 0.483 262 T N 1.894 116.425 114.554 -0.040 0.000 2.815 262 T HA 0.343 nan 4.350 nan 0.000 0.289 262 T C -1.075 173.606 174.700 -0.032 0.000 1.000 262 T CA -0.285 61.800 62.100 -0.026 0.000 0.958 262 T CB 0.458 69.321 68.868 -0.008 0.000 0.944 262 T HN 0.142 8.357 8.240 -0.041 0.000 0.442 263 G N 4.193 112.975 108.800 -0.030 0.000 2.650 263 G HA2 0.305 nan 3.960 nan 0.000 0.310 263 G HA3 0.305 nan 3.960 nan 0.000 0.310 263 G C -1.802 173.100 174.900 0.004 0.000 1.270 263 G CA 0.352 45.439 45.100 -0.022 0.000 0.810 263 G HN 0.095 8.368 8.290 -0.028 0.000 0.493 264 K N -0.733 119.685 120.400 0.030 0.000 2.493 264 K HA 0.179 nan 4.320 nan 0.000 0.207 264 K C -0.098 176.612 176.600 0.184 0.000 1.033 264 K CA -0.164 56.169 56.287 0.076 0.000 1.161 264 K CB -0.552 31.985 32.500 0.061 0.000 0.873 264 K HN 0.322 8.586 8.250 0.024 0.000 0.491 265 S N 1.042 116.806 115.700 0.107 0.000 2.617 265 S HA 0.190 nan 4.470 nan 0.000 0.269 265 S C -0.491 174.225 174.600 0.194 0.000 1.292 265 S CA 0.395 58.672 58.200 0.129 0.000 1.010 265 S CB 0.764 63.922 63.200 -0.069 0.000 0.944 265 S HN -0.327 7.928 8.310 0.031 0.074 0.536 266 S N 0.421 116.247 115.700 0.210 0.000 2.703 266 S HA 0.299 nan 4.470 nan 0.000 0.273 266 S C -2.461 172.193 174.600 0.090 0.000 1.178 266 S CA -1.075 57.215 58.200 0.151 0.000 0.838 266 S CB 1.893 65.210 63.200 0.195 0.000 1.178 266 S HN 0.082 8.514 8.310 0.203 0.000 0.494 267 I N -0.189 120.389 120.570 0.012 0.000 2.892 267 I HA 0.759 nan 4.170 nan 0.000 0.306 267 I C -2.315 173.780 176.117 -0.036 0.000 1.078 267 I CA -2.245 59.029 61.300 -0.044 0.000 1.032 267 I CB 3.879 41.803 38.000 -0.127 0.000 1.229 267 I HN -0.048 8.175 8.210 0.022 0.000 0.435 268 M N 6.455 126.036 119.600 -0.032 0.000 2.433 268 M HA 0.389 nan 4.480 nan 0.000 0.290 268 M C -2.371 173.919 176.300 -0.016 0.000 1.173 268 M CA -0.722 54.564 55.300 -0.023 0.000 0.905 268 M CB 4.376 36.957 32.600 -0.032 0.000 1.692 268 M HN 0.871 9.151 8.290 -0.017 0.000 0.462 269 R N 4.055 124.548 120.500 -0.012 0.000 2.229 269 R HA 0.653 nan 4.340 nan 0.000 0.328 269 R C -1.298 174.997 176.300 -0.009 0.000 1.009 269 R CA -0.312 55.782 56.100 -0.010 0.000 0.864 269 R CB 1.066 31.360 30.300 -0.010 0.000 1.085 269 R HN 0.360 8.623 8.270 -0.011 0.000 0.453 270 S N 3.400 119.094 115.700 -0.010 0.000 2.548 270 S HA 0.149 nan 4.470 nan 0.000 0.278 270 S C -1.480 173.115 174.600 -0.008 0.000 1.150 270 S CA -0.503 57.692 58.200 -0.008 0.000 0.907 270 S CB 1.888 65.084 63.200 -0.008 0.000 1.108 270 S HN 0.542 8.844 8.310 -0.012 0.000 0.459 271 D N 6.379 126.779 120.400 -0.001 0.000 2.368 271 D HA 0.132 nan 4.640 nan 0.000 0.218 271 D C -0.259 176.042 176.300 0.002 0.000 1.112 271 D CA -0.009 53.992 54.000 0.001 0.000 0.834 271 D CB -0.069 40.735 40.800 0.006 0.000 0.953 271 D HN 0.326 8.696 8.370 0.001 0.000 0.505 272 A N 1.614 124.435 122.820 0.002 0.000 2.462 272 A HA 0.167 nan 4.320 nan 0.000 0.243 272 A C -2.057 175.528 177.584 0.001 0.000 1.076 272 A CA -1.177 50.863 52.037 0.005 0.000 0.773 272 A CB -0.311 18.695 19.000 0.009 0.000 1.010 272 A HN -0.453 7.625 8.150 0.000 0.072 0.493 273 P HA 0.084 nan 4.420 nan 0.000 0.275 273 P C -1.428 175.873 177.300 0.002 0.000 1.227 273 P CA 0.113 63.214 63.100 0.002 0.000 0.781 273 P CB 0.375 32.078 31.700 0.005 0.000 0.906 274 I N 2.075 122.643 120.570 -0.003 0.000 2.532 274 I HA 0.413 nan 4.170 nan 0.000 0.292 274 I C -0.441 175.678 176.117 0.003 0.000 1.014 274 I CA 0.305 61.605 61.300 -0.001 0.000 1.340 274 I CB 1.404 39.398 38.000 -0.010 0.000 1.422 274 I HN 0.267 8.474 8.210 -0.006 0.000 0.528 275 D N 6.031 126.436 120.400 0.008 0.000 2.596 275 D HA 0.252 nan 4.640 nan 0.000 0.262 275 D C -2.058 174.248 176.300 0.009 0.000 1.210 275 D CA -1.725 52.280 54.000 0.008 0.000 0.873 275 D CB 4.336 45.142 40.800 0.010 0.000 1.408 275 D HN 0.265 8.642 8.370 0.012 0.000 0.441 276 T N 2.663 117.221 114.554 0.007 0.000 2.733 276 T HA 0.460 nan 4.350 nan 0.000 0.294 276 T C -0.790 173.914 174.700 0.007 0.000 0.956 276 T CA -0.701 61.403 62.100 0.006 0.000 0.987 276 T CB -0.643 68.227 68.868 0.004 0.000 0.920 276 T HN 0.126 8.370 8.240 0.007 0.000 0.470 277 c N 3.226 121.831 118.600 0.008 0.000 3.253 277 c HA 0.273 nan 4.570 nan 0.000 0.342 277 c C -2.303 171.790 174.090 0.005 0.000 1.306 277 c CA -2.315 54.018 56.329 0.007 0.000 1.207 277 c CB 2.090 44.607 42.510 0.012 0.000 1.479 277 c HN -0.038 8.324 8.230 0.009 -0.127 0.469 278 I N -1.540 119.031 120.570 0.001 0.000 2.392 278 I HA 0.525 nan 4.170 nan 0.000 0.295 278 I C -1.751 174.368 176.117 0.003 0.000 0.985 278 I CA -1.548 59.748 61.300 -0.007 0.000 1.221 278 I CB 2.028 40.017 38.000 -0.018 0.000 1.366 278 I HN -0.015 8.196 8.210 0.002 0.000 0.467 279 S N 5.736 121.441 115.700 0.007 0.000 2.584 279 S HA 0.181 nan 4.470 nan 0.000 0.280 279 S C -1.240 173.393 174.600 0.055 0.000 1.162 279 S CA -0.111 58.109 58.200 0.033 0.000 0.951 279 S CB 1.232 64.464 63.200 0.053 0.000 1.108 279 S HN 0.392 8.594 8.310 -0.004 0.105 0.464 280 E N 6.255 126.494 120.200 0.064 0.000 2.230 280 E HA 0.002 nan 4.350 nan 0.000 0.192 280 E C -0.582 176.157 176.600 0.233 0.000 0.987 280 E CA 2.119 58.600 56.400 0.135 0.000 0.841 280 E CB 0.649 30.402 29.700 0.089 0.000 0.783 280 E HN 0.355 8.743 8.360 0.046 0.000 0.481 281 c N -0.586 118.101 118.600 0.145 0.000 2.273 281 c HA 0.586 nan 4.570 nan 0.000 0.328 281 c C -1.365 172.808 174.090 0.139 0.000 1.275 281 c CA -1.784 54.620 56.329 0.124 0.000 1.704 281 c CB -0.146 42.410 42.510 0.078 0.000 2.326 281 c HN -0.568 7.728 8.230 0.110 0.000 0.517 282 I N 9.501 130.170 120.570 0.164 0.000 2.493 282 I HA 0.457 nan 4.170 nan 0.000 0.298 282 I C -1.667 174.518 176.117 0.112 0.000 0.998 282 I CA -1.024 60.364 61.300 0.145 0.000 1.137 282 I CB 3.632 41.739 38.000 0.178 0.000 1.310 282 I HN 0.785 9.097 8.210 0.171 0.000 0.445 283 T N 6.997 121.599 114.554 0.081 0.000 2.907 283 T HA 0.514 nan 4.350 nan 0.000 0.292 283 T C -1.437 173.288 174.700 0.042 0.000 1.043 283 T CA -2.606 59.530 62.100 0.060 0.000 1.003 283 T CB 1.734 70.639 68.868 0.063 0.000 1.084 283 T HN -0.223 8.062 8.240 0.075 0.000 0.483 284 P HA -0.052 nan 4.420 nan 0.000 0.222 284 P C 0.182 177.492 177.300 0.017 0.000 1.147 284 P CA 1.887 64.996 63.100 0.014 0.000 0.790 284 P CB 0.182 31.884 31.700 0.004 0.000 0.780 285 N N -2.311 116.403 118.700 0.025 0.000 2.461 285 N HA -0.096 nan 4.740 nan 0.000 0.188 285 N C -0.500 175.028 175.510 0.030 0.000 1.134 285 N CA 0.326 53.392 53.050 0.027 0.000 0.878 285 N CB -0.325 38.182 38.487 0.034 0.000 0.972 285 N HN 0.129 8.512 8.380 0.027 0.013 0.456 286 G N -3.356 105.464 108.800 0.033 0.000 2.479 286 G HA2 -0.240 nan 3.960 nan 0.000 0.686 286 G HA3 -0.240 nan 3.960 nan 0.000 0.686 286 G C -0.788 174.141 174.900 0.048 0.000 1.295 286 G CA -0.788 44.334 45.100 0.036 0.000 0.922 286 G HN -0.388 7.745 8.290 0.033 0.177 0.582 287 S N 2.277 118.008 115.700 0.052 0.000 2.593 287 S HA 0.515 nan 4.470 nan 0.000 0.269 287 S C -0.582 174.051 174.600 0.055 0.000 1.334 287 S CA 1.734 59.972 58.200 0.063 0.000 1.015 287 S CB 0.773 64.011 63.200 0.064 0.000 0.912 287 S HN 0.263 8.489 8.310 0.046 0.111 0.541 288 I N -5.037 115.569 120.570 0.059 0.000 2.969 288 I HA 0.759 nan 4.170 nan 0.000 0.307 288 I C -2.734 173.411 176.117 0.046 0.000 1.149 288 I CA -4.013 57.318 61.300 0.051 0.000 1.008 288 I CB 2.656 40.691 38.000 0.058 0.000 1.232 288 I HN -0.250 8.001 8.210 0.069 0.000 0.435 289 P HA 0.166 nan 4.420 nan 0.000 0.286 289 P C -1.030 176.282 177.300 0.020 0.000 1.269 289 P CA -0.543 62.572 63.100 0.026 0.000 0.787 289 P CB 0.697 32.408 31.700 0.019 0.000 0.920 290 N N 2.830 121.539 118.700 0.015 0.000 2.389 290 N HA -0.090 nan 4.740 nan 0.000 0.237 290 N C -0.599 174.901 175.510 -0.017 0.000 1.148 290 N CA -0.291 52.760 53.050 0.001 0.000 0.854 290 N CB -1.386 37.103 38.487 0.004 0.000 1.115 290 N HN 0.326 8.717 8.380 0.017 0.000 0.492 291 D N -2.894 117.498 120.400 -0.014 0.000 2.162 291 D HA -0.178 nan 4.640 nan 0.000 0.203 291 D C 0.239 176.515 176.300 -0.041 0.000 0.967 291 D CA 1.210 55.197 54.000 -0.022 0.000 0.840 291 D CB -0.050 40.743 40.800 -0.011 0.000 0.972 291 D HN -0.230 8.042 8.370 -0.004 0.096 0.482 292 K N -0.151 120.225 120.400 -0.040 0.000 2.126 292 K HA 0.222 nan 4.320 nan 0.000 0.257 292 K C -1.206 175.307 176.600 -0.146 0.000 1.007 292 K CA -1.844 54.404 56.287 -0.066 0.000 0.928 292 K CB 0.390 32.877 32.500 -0.021 0.000 1.013 292 K HN -0.457 7.779 8.250 -0.022 0.000 0.473 293 P HA 0.118 nan 4.420 nan 0.000 0.227 293 P C -1.307 175.557 177.300 -0.726 0.000 1.161 293 P CA 1.098 63.838 63.100 -0.599 0.000 0.788 293 P CB 0.856 32.010 31.700 -0.911 0.000 0.822 294 F N -2.698 117.246 119.950 -0.009 0.000 2.593 294 F HA 0.666 nan 4.527 nan 0.000 0.320 294 F C -2.186 173.601 175.800 -0.021 0.000 1.060 294 F CA -1.991 55.996 58.000 -0.022 0.000 0.940 294 F CB 3.540 42.513 39.000 -0.046 0.000 1.268 294 F HN -0.421 7.792 8.300 -0.145 0.000 0.475 295 Q N -0.739 119.162 119.800 0.168 0.000 2.456 295 Q HA 0.582 nan 4.340 nan 0.000 0.284 295 Q C -2.014 173.996 176.000 0.016 0.000 1.061 295 Q CA -1.381 54.482 55.803 0.100 0.000 0.799 295 Q CB 3.152 31.965 28.738 0.125 0.000 1.445 295 Q HN 0.754 9.042 8.270 0.182 0.091 0.411 296 N N -0.145 118.573 118.700 0.031 0.000 2.241 296 N HA 0.297 nan 4.740 nan 0.000 0.238 296 N C 0.698 176.322 175.510 0.189 0.000 1.244 296 N CA -0.484 52.555 53.050 -0.019 0.000 0.880 296 N CB 1.639 40.086 38.487 -0.066 0.000 1.179 296 N HN 0.427 8.846 8.380 0.064 0.000 0.513 297 V N 0.718 120.760 119.914 0.212 0.000 2.302 297 V HA -0.026 nan 4.120 nan 0.000 0.243 297 V C -0.002 176.205 176.094 0.188 0.000 1.036 297 V CA 2.311 64.710 62.300 0.166 0.000 1.020 297 V CB 0.296 32.188 31.823 0.115 0.000 0.657 297 V HN 0.321 8.876 8.190 0.211 -0.238 0.453 298 N N -3.998 114.817 118.700 0.192 0.000 2.504 298 N HA 0.142 nan 4.740 nan 0.000 0.268 298 N C -1.709 173.665 175.510 -0.227 0.000 1.184 298 N CA -0.494 52.550 53.050 -0.010 0.000 0.875 298 N CB 2.432 40.913 38.487 -0.009 0.000 1.630 298 N HN -0.616 8.173 8.380 0.252 -0.257 0.486 299 K N -0.437 119.580 120.400 -0.639 0.000 2.486 299 K HA -0.098 nan 4.320 nan 0.000 0.194 299 K C 0.275 176.740 176.600 -0.225 0.000 1.033 299 K CA 1.044 56.934 56.287 -0.663 0.000 1.004 299 K CB -0.034 32.035 32.500 -0.719 0.000 0.798 299 K HN 0.308 8.235 8.250 -0.539 0.000 0.495 300 I N 2.683 123.171 120.570 -0.137 0.000 2.315 300 I HA 0.049 nan 4.170 nan 0.000 0.291 300 I C -1.621 174.497 176.117 0.002 0.000 1.006 300 I CA -0.157 61.113 61.300 -0.050 0.000 1.265 300 I CB 0.416 38.392 38.000 -0.039 0.000 1.387 300 I HN -0.421 7.955 8.210 -0.152 -0.258 0.475 301 T N 4.694 119.266 114.554 0.031 0.000 2.864 301 T HA 0.534 nan 4.350 nan 0.000 0.299 301 T C -2.264 172.499 174.700 0.105 0.000 1.166 301 T CA -1.999 60.140 62.100 0.065 0.000 1.007 301 T CB 3.018 71.919 68.868 0.054 0.000 1.219 301 T HN 0.084 8.338 8.240 0.024 0.000 0.506 302 Y N 1.404 121.693 120.300 -0.019 0.000 2.421 302 Y HA 0.320 nan 4.550 nan 0.000 0.339 302 Y C -1.572 174.281 175.900 -0.078 0.000 0.996 302 Y CA -0.225 57.840 58.100 -0.059 0.000 1.046 302 Y CB 2.839 41.251 38.460 -0.080 0.000 1.226 302 Y HN 0.367 8.740 8.280 0.154 0.000 0.445 303 G N 5.562 113.958 108.800 -0.672 0.000 2.526 303 G HA2 -0.278 nan 3.960 nan 0.000 0.250 303 G HA3 -0.278 nan 3.960 nan 0.000 0.250 303 G C -2.227 172.586 174.900 -0.144 0.000 1.289 303 G CA -0.581 44.280 45.100 -0.399 0.000 0.947 303 G HN 0.048 7.862 8.290 -0.793 0.000 0.517 304 A N 1.772 124.581 122.820 -0.018 0.000 2.539 304 A HA 0.210 nan 4.320 nan 0.000 0.306 304 A C -1.008 176.579 177.584 0.006 0.000 1.392 304 A CA 0.019 52.050 52.037 -0.009 0.000 1.060 304 A CB -0.677 18.329 19.000 0.011 0.000 1.134 304 A HN 0.061 8.248 8.150 0.061 0.000 0.542 305 c N 3.658 122.258 118.600 -0.001 0.000 2.667 305 c HA 0.379 nan 4.570 nan 0.000 0.323 305 c C -2.540 171.562 174.090 0.019 0.000 1.214 305 c CA -2.921 53.420 56.329 0.021 0.000 1.721 305 c CB 1.127 43.660 42.510 0.038 0.000 2.275 305 c HN -0.065 8.156 8.230 -0.015 0.000 0.491 306 P HA 0.035 nan 4.420 nan 0.000 0.272 306 P C -1.780 175.571 177.300 0.084 0.000 1.223 306 P CA -0.537 62.571 63.100 0.014 0.000 0.784 306 P CB 0.593 32.301 31.700 0.013 0.000 0.923 307 K N 1.552 122.022 120.400 0.117 0.000 2.379 307 K HA -0.023 nan 4.320 nan 0.000 0.284 307 K C 0.028 176.787 176.600 0.265 0.000 1.044 307 K CA 0.195 56.611 56.287 0.215 0.000 0.974 307 K CB 0.673 33.348 32.500 0.291 0.000 0.962 307 K HN 0.063 8.340 8.250 0.044 0.000 0.474 308 Y N 3.892 124.262 120.300 0.115 0.000 2.497 308 Y HA 0.098 nan 4.550 nan 0.000 0.334 308 Y C -1.064 174.875 175.900 0.066 0.000 1.199 308 Y CA 1.495 59.647 58.100 0.086 0.000 1.425 308 Y CB 0.667 39.159 38.460 0.053 0.000 1.291 308 Y HN -0.092 8.373 8.280 0.307 0.000 0.562 309 V N 6.508 125.931 119.914 -0.819 0.000 3.049 309 V HA 0.198 nan 4.120 nan 0.000 0.309 309 V C -1.178 174.482 176.094 -0.724 0.000 1.148 309 V CA -0.900 61.071 62.300 -0.549 0.000 0.990 309 V CB 3.748 35.354 31.823 -0.361 0.000 1.039 309 V HN -0.024 7.373 8.190 -1.322 0.000 0.430 310 K N 0.327 120.510 120.400 -0.361 0.000 2.155 310 K HA -0.103 nan 4.320 nan 0.000 0.203 310 K C -0.417 176.074 176.600 -0.181 0.000 1.052 310 K CA 1.310 57.470 56.287 -0.212 0.000 0.948 310 K CB 0.316 32.766 32.500 -0.084 0.000 0.728 310 K HN 0.291 8.386 8.250 -0.260 0.000 0.448 311 Q N -1.307 118.380 119.800 -0.187 0.000 2.361 311 Q HA -0.065 nan 4.340 nan 0.000 0.276 311 Q C -0.874 175.058 176.000 -0.113 0.000 1.022 311 Q CA 0.599 56.322 55.803 -0.134 0.000 0.898 311 Q CB 0.481 29.135 28.738 -0.141 0.000 1.246 311 Q HN -0.420 7.715 8.270 -0.225 0.000 0.410 312 N N -2.263 116.398 118.700 -0.065 0.000 2.254 312 N HA -0.060 nan 4.740 nan 0.000 0.190 312 N C -1.248 174.250 175.510 -0.021 0.000 1.107 312 N CA 0.180 53.206 53.050 -0.040 0.000 0.869 312 N CB 0.850 39.326 38.487 -0.018 0.000 0.983 312 N HN 0.080 8.428 8.380 -0.053 0.000 0.487 313 T N -0.414 114.124 114.554 -0.025 0.000 3.032 313 T HA 0.310 nan 4.350 nan 0.000 0.312 313 T C -2.508 172.184 174.700 -0.013 0.000 1.078 313 T CA -0.217 61.877 62.100 -0.009 0.000 1.028 313 T CB 1.136 70.001 68.868 -0.004 0.000 1.091 313 T HN -0.890 7.328 8.240 -0.037 0.000 0.457 314 L N 6.374 127.602 121.223 0.009 0.000 2.457 314 L HA 0.470 nan 4.340 nan 0.000 0.266 314 L C -1.716 175.175 176.870 0.036 0.000 0.979 314 L CA -0.354 54.493 54.840 0.012 0.000 0.857 314 L CB 3.432 45.495 42.059 0.007 0.000 1.213 314 L HN 0.676 9.284 8.230 0.027 -0.362 0.418 315 K N 3.459 123.872 120.400 0.022 0.000 2.227 315 K HA 0.460 nan 4.320 nan 0.000 0.280 315 K C -1.164 175.453 176.600 0.027 0.000 1.041 315 K CA -0.925 55.377 56.287 0.025 0.000 0.905 315 K CB 1.006 33.515 32.500 0.015 0.000 1.068 315 K HN -0.004 8.253 8.250 0.011 0.000 0.470 316 L N 5.791 127.033 121.223 0.033 0.000 2.260 316 L HA 0.118 nan 4.340 nan 0.000 0.289 316 L C -1.610 175.273 176.870 0.022 0.000 1.057 316 L CA -1.440 53.419 54.840 0.031 0.000 0.811 316 L CB 1.960 44.042 42.059 0.037 0.000 1.184 316 L HN 0.743 8.994 8.230 0.035 0.000 0.429 317 A N 6.644 129.475 122.820 0.018 0.000 2.524 317 A HA -0.068 nan 4.320 nan 0.000 0.250 317 A C -0.156 177.439 177.584 0.018 0.000 1.078 317 A CA 0.881 52.928 52.037 0.016 0.000 0.761 317 A CB 0.126 19.134 19.000 0.013 0.000 1.012 317 A HN 0.334 8.495 8.150 0.018 0.000 0.500 318 T N -1.077 113.489 114.554 0.021 0.000 3.293 318 T HA 0.285 nan 4.350 nan 0.000 0.276 318 T C -0.293 174.427 174.700 0.033 0.000 1.003 318 T CA -0.931 61.182 62.100 0.023 0.000 0.916 318 T CB -0.063 68.817 68.868 0.022 0.000 1.134 318 T HN 0.430 8.566 8.240 0.021 0.117 0.530 319 G N 1.771 110.593 108.800 0.036 0.000 2.559 319 G HA2 0.226 nan 3.960 nan 0.000 0.291 319 G HA3 0.226 nan 3.960 nan 0.000 0.291 319 G C -2.088 172.841 174.900 0.047 0.000 1.424 319 G CA 0.159 45.295 45.100 0.061 0.000 0.786 319 G HN -0.801 7.443 8.290 0.027 0.062 0.485 320 M N -2.321 117.321 119.600 0.070 0.000 2.103 320 M HA 0.121 nan 4.480 nan 0.000 0.291 320 M C -0.524 175.785 176.300 0.016 0.000 1.216 320 M CA 0.870 56.186 55.300 0.027 0.000 1.132 320 M CB 1.087 33.696 32.600 0.015 0.000 1.396 320 M HN 0.182 8.551 8.290 0.133 0.000 0.479 321 R N -1.264 119.226 120.500 -0.017 0.000 2.590 321 R HA -0.205 nan 4.340 nan 0.000 0.274 321 R C -0.817 175.493 176.300 0.018 0.000 1.061 321 R CA 0.730 56.826 56.100 -0.007 0.000 1.081 321 R CB 0.526 30.815 30.300 -0.019 0.000 0.984 321 R HN 0.175 8.417 8.270 -0.046 0.000 0.448 322 N N 4.698 123.410 118.700 0.019 0.000 2.420 322 N HA -0.045 nan 4.740 nan 0.000 0.249 322 N C -0.918 174.619 175.510 0.046 0.000 1.033 322 N CA 0.186 53.249 53.050 0.023 0.000 0.944 322 N CB 0.583 39.065 38.487 -0.009 0.000 1.113 322 N HN -0.059 8.327 8.380 0.009 0.000 0.502 323 V N 6.290 126.262 119.914 0.096 0.000 2.225 323 V HA 0.313 nan 4.120 nan 0.000 0.264 323 V C -1.167 174.958 176.094 0.051 0.000 1.067 323 V CA -3.020 59.333 62.300 0.087 0.000 0.903 323 V CB -0.763 31.154 31.823 0.156 0.000 1.136 323 V HN 0.065 8.345 8.190 0.150 0.000 0.456 324 P HA 0.081 nan 4.420 nan 0.000 0.269 324 P C -0.822 176.474 177.300 -0.007 0.000 1.215 324 P CA -0.788 62.310 63.100 -0.003 0.000 0.780 324 P CB 1.318 33.013 31.700 -0.009 0.000 0.898 325 E N 3.818 124.008 120.200 -0.017 0.000 2.280 325 E HA -0.045 nan 4.350 nan 0.000 0.279 325 E C -0.398 176.193 176.600 -0.014 0.000 1.325 325 E CA -0.791 55.596 56.400 -0.020 0.000 1.486 325 E CB -1.371 28.310 29.700 -0.031 0.000 1.466 325 E HN 0.236 8.585 8.360 -0.019 0.000 0.473 326 K N -1.042 119.352 120.400 -0.010 0.000 6.689 326 K HA -0.202 nan 4.320 nan 0.000 0.401 326 K C -2.012 174.583 176.600 -0.008 0.000 1.689 326 K CA 0.456 56.739 56.287 -0.008 0.000 0.976 326 K CB -1.283 31.212 32.500 -0.008 0.000 1.192 326 K HN -0.524 7.670 8.250 -0.008 0.052 0.408 327 Q N 1.767 121.562 119.800 -0.008 0.000 3.429 327 Q HA 0.076 nan 4.340 nan 0.000 0.190 327 Q C -2.179 173.816 176.000 -0.009 0.000 0.807 327 Q CA 0.525 56.322 55.803 -0.010 0.000 0.854 327 Q CB 0.492 29.226 28.738 -0.008 0.000 1.481 327 Q HN 0.368 8.633 8.270 -0.007 0.000 0.463 328 T N 0.000 114.548 114.554 -0.010 0.000 3.816 328 T HA 0.000 nan 4.350 nan 0.000 0.228 328 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 328 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 328 T HN 0.000 8.233 8.240 -0.012 0.000 0.658