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 3fa4_1_L DATA FIRST_RESID 5 DATA SEQUENCE TAATSLRRAL ENPDSFIVAP GVYDGLSARV ALSAGFDALY MTGAGTAASV DATA SEQUENCE HGQADLGICT LNDMRANAEM ISNISPSTPV IADADTGYGG PIMVARTTEQ DATA SEQUENCE YSRSGVAAFH IEDQVQTKRC GHLAGKILVD TDTYVTRIRA AVQARQRIGS DATA SEQUENCE DIVVIARTDS LQTHGYEESV ARLRAARDAG ADVGFLEGIT SREMARQVIQ DATA SEQUENCE DLAGWPLLLN MVEHGATPSI SAAEAKEMGF RIIIFPFAAL GPAVAAMREA DATA SEQUENCE MEKLKRDGIP GLDKEMTPQM LFRVCGLDES MKVDAQAG 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.713 174.700 0.022 0.000 1.109 5 T CA 0.000 62.113 62.100 0.021 0.000 1.349 5 T CB 0.000 68.885 68.868 0.029 0.000 0.612 6 A N 0.758 123.591 122.820 0.021 0.000 2.119 6 A HA 0.376 4.696 4.320 -0.000 0.000 0.217 6 A C 2.348 179.948 177.584 0.026 0.000 1.153 6 A CA 1.824 53.874 52.037 0.021 0.000 0.692 6 A CB -0.759 18.253 19.000 0.018 0.000 0.799 6 A HN 1.069 nan 8.150 nan 0.000 0.458 7 A N -0.757 122.084 122.820 0.036 0.000 2.032 7 A HA -0.132 4.188 4.320 -0.000 0.000 0.221 7 A C 2.231 179.834 177.584 0.032 0.000 1.165 7 A CA 2.329 54.391 52.037 0.042 0.000 0.645 7 A CB -0.978 18.060 19.000 0.062 0.000 0.807 7 A HN 0.402 nan 8.150 nan 0.000 0.453 8 T N -0.208 114.363 114.554 0.029 0.000 2.851 8 T HA -0.086 4.264 4.350 -0.000 0.000 0.262 8 T C 2.377 177.089 174.700 0.020 0.000 1.043 8 T CA 1.723 63.838 62.100 0.024 0.000 1.140 8 T CB -0.268 68.615 68.868 0.024 0.000 0.872 8 T HN 0.809 nan 8.240 nan 0.000 0.446 9 S N 1.339 117.049 115.700 0.018 0.000 2.406 9 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 9 S C 2.028 176.635 174.600 0.012 0.000 1.020 9 S CA 0.415 58.625 58.200 0.015 0.000 0.965 9 S CB -0.556 62.654 63.200 0.015 0.000 0.798 9 S HN 0.267 nan 8.310 nan 0.000 0.488 10 L N 1.919 123.148 121.223 0.010 0.000 2.005 10 L HA 0.154 4.494 4.340 -0.000 0.000 0.207 10 L C 2.658 179.526 176.870 -0.003 0.000 1.072 10 L CA 1.820 56.660 54.840 -0.000 0.000 0.744 10 L CB -1.021 41.037 42.059 -0.001 0.000 0.895 10 L HN 0.223 nan 8.230 nan 0.000 0.433 11 R N -0.349 120.153 120.500 0.004 0.000 2.159 11 R HA -0.251 4.089 4.340 -0.000 0.000 0.249 11 R C 2.425 178.731 176.300 0.010 0.000 1.136 11 R CA 2.396 58.501 56.100 0.007 0.000 0.951 11 R CB -0.294 30.017 30.300 0.017 0.000 0.876 11 R HN 0.361 nan 8.270 nan 0.000 0.440 12 R N -0.934 119.574 120.500 0.013 0.000 2.092 12 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 12 R C 2.310 178.619 176.300 0.014 0.000 1.119 12 R CA 1.233 57.342 56.100 0.015 0.000 0.970 12 R CB -0.339 29.970 30.300 0.016 0.000 0.864 12 R HN 0.308 nan 8.270 nan 0.000 0.440 13 A N 1.304 124.130 122.820 0.011 0.000 1.877 13 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 13 A C 2.101 179.690 177.584 0.009 0.000 1.186 13 A CA 1.165 53.209 52.037 0.011 0.000 0.620 13 A CB -0.618 18.385 19.000 0.005 0.000 0.822 13 A HN 0.194 nan 8.150 nan 0.000 0.443 14 L N -0.685 120.535 121.223 -0.005 0.000 2.353 14 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 14 L C 2.096 178.970 176.870 0.007 0.000 1.133 14 L CA 1.176 56.009 54.840 -0.012 0.000 0.798 14 L CB -0.462 41.576 42.059 -0.034 0.000 0.922 14 L HN 0.481 nan 8.230 nan 0.000 0.445 15 E N -0.736 119.474 120.200 0.016 0.000 2.442 15 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 15 E C 0.599 177.215 176.600 0.027 0.000 1.030 15 E CA -0.157 56.258 56.400 0.026 0.000 0.869 15 E CB 0.199 29.915 29.700 0.026 0.000 0.857 15 E HN 0.221 nan 8.360 nan 0.000 0.505 16 N N 1.096 119.811 118.700 0.026 0.000 2.462 16 N HA 0.068 4.808 4.740 -0.000 0.000 0.242 16 N C -2.076 173.455 175.510 0.036 0.000 1.010 16 N CA -2.095 50.973 53.050 0.029 0.000 0.939 16 N CB 1.233 39.738 38.487 0.029 0.000 1.127 16 N HN -0.217 nan 8.380 nan 0.000 0.509 17 P HA -0.153 nan 4.420 nan 0.000 0.218 17 P C 0.155 177.484 177.300 0.049 0.000 1.154 17 P CA 1.466 64.588 63.100 0.038 0.000 0.872 17 P CB 0.366 32.083 31.700 0.029 0.000 0.790 18 D N -1.810 118.619 120.400 0.048 0.000 2.349 18 D HA 0.044 4.684 4.640 -0.000 0.000 0.215 18 D C 0.356 176.708 176.300 0.086 0.000 1.016 18 D CA 0.488 54.521 54.000 0.056 0.000 0.870 18 D CB -0.237 40.587 40.800 0.040 0.000 0.917 18 D HN 0.120 nan 8.370 nan 0.000 0.524 19 S N 0.523 116.276 115.700 0.088 0.000 2.565 19 S HA 0.339 4.809 4.470 -0.000 0.000 0.276 19 S C -0.338 174.374 174.600 0.187 0.000 1.326 19 S CA -0.391 57.873 58.200 0.107 0.000 1.045 19 S CB 0.792 64.028 63.200 0.059 0.000 0.918 19 S HN 0.130 nan 8.310 nan 0.000 0.505 20 F N 2.602 122.564 119.950 0.020 0.000 2.561 20 F HA 0.614 5.141 4.527 -0.000 0.000 0.313 20 F C -1.315 174.501 175.800 0.027 0.000 1.126 20 F CA -1.008 57.006 58.000 0.023 0.000 0.918 20 F CB 0.799 39.819 39.000 0.034 0.000 1.199 20 F HN 0.395 nan 8.300 nan 0.000 0.444 21 I N 6.226 126.356 120.570 -0.734 0.000 2.354 21 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 21 I C -1.013 174.775 176.117 -0.548 0.000 0.989 21 I CA -0.774 60.260 61.300 -0.444 0.000 1.188 21 I CB 1.752 39.587 38.000 -0.274 0.000 1.342 21 I HN 0.312 nan 8.210 nan 0.000 0.457 22 V N 6.045 125.862 119.914 -0.162 0.000 2.407 22 V HA 0.755 4.875 4.120 -0.000 0.000 0.291 22 V C -0.188 175.973 176.094 0.113 0.000 1.018 22 V CA -0.488 61.831 62.300 0.032 0.000 0.842 22 V CB 1.414 33.430 31.823 0.323 0.000 0.996 22 V HN 0.795 nan 8.190 nan 0.000 0.426 23 A N 7.373 130.192 122.820 -0.003 0.000 2.375 23 A HA 0.885 5.205 4.320 -0.000 0.000 0.291 23 A C -3.007 174.565 177.584 -0.020 0.000 1.160 23 A CA -1.648 50.383 52.037 -0.009 0.000 0.747 23 A CB 1.553 20.547 19.000 -0.010 0.000 1.170 23 A HN 0.581 nan 8.150 nan 0.000 0.458 24 P HA 0.327 nan 4.420 nan 0.000 0.272 24 P C 0.530 177.861 177.300 0.051 0.000 1.230 24 P CA 0.095 63.125 63.100 -0.117 0.000 0.788 24 P CB 0.907 32.291 31.700 -0.528 0.000 0.949 25 G N 0.677 109.566 108.800 0.150 0.000 2.339 25 G HA2 0.493 4.453 3.960 -0.000 0.000 0.287 25 G HA3 0.493 4.453 3.960 -0.000 0.000 0.287 25 G C -1.074 173.884 174.900 0.098 0.000 1.163 25 G CA -0.157 45.070 45.100 0.211 0.000 0.872 25 G HN 0.401 nan 8.290 nan 0.000 0.464 26 V N 2.911 122.855 119.914 0.049 0.000 2.888 26 V HA 0.488 4.608 4.120 -0.000 0.000 0.309 26 V C -0.335 175.758 176.094 -0.002 0.000 1.114 26 V CA -0.604 61.689 62.300 -0.011 0.000 0.940 26 V CB 2.153 33.931 31.823 -0.075 0.000 1.021 26 V HN 0.882 nan 8.190 nan 0.000 0.426 27 Y N 1.547 121.790 120.300 -0.095 0.000 2.540 27 Y HA 0.575 5.125 4.550 -0.000 0.000 0.257 27 Y C 0.051 175.902 175.900 -0.082 0.000 1.090 27 Y CA -0.326 57.717 58.100 -0.094 0.000 1.242 27 Y CB 0.304 38.710 38.460 -0.090 0.000 1.325 27 Y HN 0.607 nan 8.280 nan 0.000 0.544 28 D N -0.780 119.283 120.400 -0.561 0.000 2.921 28 D HA 0.289 4.929 4.640 -0.000 0.000 0.329 28 D C 1.284 177.407 176.300 -0.294 0.000 1.293 28 D CA -0.232 53.545 54.000 -0.373 0.000 0.964 28 D CB 0.672 41.247 40.800 -0.375 0.000 1.435 28 D HN 0.031 nan 8.370 nan 0.000 0.548 29 G N -0.084 108.595 108.800 -0.202 0.000 2.421 29 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 29 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 29 G C 1.583 176.399 174.900 -0.140 0.000 1.171 29 G CA 0.838 45.855 45.100 -0.139 0.000 0.775 29 G HN 0.363 nan 8.290 nan 0.000 0.543 30 L N 1.288 122.414 121.223 -0.162 0.000 1.989 30 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 30 L C 3.415 180.194 176.870 -0.152 0.000 1.071 30 L CA 1.873 56.634 54.840 -0.133 0.000 0.749 30 L CB -0.455 41.532 42.059 -0.120 0.000 0.890 30 L HN 0.438 nan 8.230 nan 0.000 0.431 31 S N -0.260 115.278 115.700 -0.270 0.000 2.400 31 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 31 S C 2.039 176.555 174.600 -0.141 0.000 1.025 31 S CA 0.920 58.987 58.200 -0.221 0.000 0.993 31 S CB -0.533 62.441 63.200 -0.377 0.000 0.808 31 S HN 0.433 nan 8.310 nan 0.000 0.478 32 A N 2.842 125.570 122.820 -0.153 0.000 1.873 32 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 32 A C 2.374 179.933 177.584 -0.042 0.000 1.186 32 A CA 1.011 52.993 52.037 -0.092 0.000 0.616 32 A CB -0.491 18.450 19.000 -0.099 0.000 0.823 32 A HN 0.349 nan 8.150 nan 0.000 0.442 33 R N -0.321 120.153 120.500 -0.044 0.000 2.105 33 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 33 R C 2.052 178.357 176.300 0.007 0.000 1.135 33 R CA 1.548 57.639 56.100 -0.014 0.000 0.967 33 R CB -1.121 29.168 30.300 -0.018 0.000 0.861 33 R HN 0.446 nan 8.270 nan 0.000 0.442 34 V N 0.826 120.738 119.914 -0.002 0.000 2.488 34 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 34 V C 2.496 178.628 176.094 0.065 0.000 1.046 34 V CA 1.460 63.773 62.300 0.022 0.000 1.053 34 V CB -0.672 31.156 31.823 0.008 0.000 0.679 34 V HN 0.281 nan 8.190 nan 0.000 0.458 35 A N 0.292 123.146 122.820 0.057 0.000 1.858 35 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 35 A C 2.111 179.839 177.584 0.240 0.000 1.190 35 A CA 1.562 53.674 52.037 0.126 0.000 0.617 35 A CB -0.629 18.369 19.000 -0.004 0.000 0.827 35 A HN 0.358 nan 8.150 nan 0.000 0.443 36 L N 0.386 121.692 121.223 0.138 0.000 2.021 36 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 36 L C 2.694 179.623 176.870 0.099 0.000 1.074 36 L CA 2.330 57.241 54.840 0.119 0.000 0.760 36 L CB -1.588 40.507 42.059 0.061 0.000 0.889 36 L HN 0.360 nan 8.230 nan 0.000 0.433 37 S N -0.686 115.062 115.700 0.079 0.000 2.453 37 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 37 S C 1.963 176.593 174.600 0.050 0.000 1.005 37 S CA 0.773 59.003 58.200 0.051 0.000 0.949 37 S CB -0.133 63.090 63.200 0.039 0.000 0.774 37 S HN 0.497 nan 8.310 nan 0.000 0.510 38 A N 0.486 123.363 122.820 0.096 0.000 2.168 38 A HA 0.435 4.755 4.320 -0.000 0.000 0.215 38 A C 1.710 179.251 177.584 -0.071 0.000 1.152 38 A CA 1.027 53.105 52.037 0.069 0.000 0.716 38 A CB -0.609 18.520 19.000 0.216 0.000 0.794 38 A HN 0.833 nan 8.150 nan 0.000 0.465 39 G N -2.470 106.308 108.800 -0.037 0.000 2.184 39 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.206 39 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.206 39 G C 0.056 174.857 174.900 -0.165 0.000 0.995 39 G CA -0.194 44.836 45.100 -0.118 0.000 0.651 39 G HN 0.283 nan 8.290 nan 0.000 0.511 40 F N 1.093 121.059 119.950 0.026 0.000 2.589 40 F HA 0.332 4.859 4.527 -0.000 0.000 0.352 40 F C 1.406 177.223 175.800 0.028 0.000 1.168 40 F CA 0.893 58.914 58.000 0.035 0.000 1.353 40 F CB 0.586 39.614 39.000 0.047 0.000 1.116 40 F HN -0.043 nan 8.300 nan 0.000 0.608 41 D N 0.735 121.281 120.400 0.244 0.000 2.441 41 D HA 0.327 4.967 4.640 -0.000 0.000 0.210 41 D C -0.033 176.334 176.300 0.111 0.000 1.102 41 D CA 0.374 54.451 54.000 0.129 0.000 0.840 41 D CB 0.724 41.575 40.800 0.085 0.000 0.990 41 D HN 0.444 nan 8.370 nan 0.000 0.505 42 A N 0.176 123.082 122.820 0.142 0.000 2.594 42 A HA 0.744 5.064 4.320 -0.000 0.000 0.291 42 A C -1.571 176.061 177.584 0.080 0.000 1.105 42 A CA -0.545 51.542 52.037 0.083 0.000 0.694 42 A CB 1.238 20.261 19.000 0.038 0.000 1.291 42 A HN 0.029 nan 8.150 nan 0.000 0.410 43 L N 0.325 121.579 121.223 0.052 0.000 2.371 43 L HA 0.600 4.940 4.340 -0.000 0.000 0.262 43 L C -1.292 175.628 176.870 0.084 0.000 1.006 43 L CA -0.749 54.112 54.840 0.034 0.000 0.818 43 L CB 2.213 44.274 42.059 0.003 0.000 1.354 43 L HN 0.809 nan 8.230 nan 0.000 0.415 44 Y N 2.724 123.001 120.300 -0.038 0.000 2.338 44 Y HA 0.484 5.034 4.550 -0.000 0.000 0.333 44 Y C -0.451 175.461 175.900 0.020 0.000 0.968 44 Y CA -0.975 57.119 58.100 -0.009 0.000 1.123 44 Y CB 1.836 40.281 38.460 -0.024 0.000 1.165 44 Y HN 0.590 nan 8.280 nan 0.000 0.452 45 M N 7.272 126.496 119.600 -0.626 0.000 2.135 45 M HA 0.197 4.677 4.480 -0.000 0.000 0.345 45 M C -0.322 175.504 176.300 -0.789 0.000 1.340 45 M CA -0.059 54.923 55.300 -0.531 0.000 1.162 45 M CB 0.321 32.746 32.600 -0.292 0.000 1.570 45 M HN 0.846 nan 8.290 nan 0.000 0.454 46 T N 3.624 117.906 114.554 -0.453 0.000 2.834 46 T HA 0.272 4.622 4.350 -0.000 0.000 0.298 46 T C 1.285 175.984 174.700 -0.001 0.000 0.966 46 T CA 0.440 62.459 62.100 -0.136 0.000 1.141 46 T CB 0.801 69.726 68.868 0.094 0.000 0.905 46 T HN 0.899 nan 8.240 nan 0.000 0.535 47 G N 3.641 112.499 108.800 0.096 0.000 2.402 47 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.216 47 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.216 47 G C 1.763 176.744 174.900 0.136 0.000 1.162 47 G CA 0.759 45.942 45.100 0.138 0.000 0.777 47 G HN 0.938 nan 8.290 nan 0.000 0.539 48 A N 1.015 123.926 122.820 0.152 0.000 1.858 48 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 48 A C 2.742 180.361 177.584 0.059 0.000 1.190 48 A CA 2.161 54.275 52.037 0.129 0.000 0.617 48 A CB -1.226 17.883 19.000 0.181 0.000 0.827 48 A HN 0.542 nan 8.150 nan 0.000 0.443 49 G N -1.018 107.789 108.800 0.013 0.000 2.440 49 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 49 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 49 G C 1.777 176.702 174.900 0.042 0.000 1.154 49 G CA 2.163 47.209 45.100 -0.090 0.000 0.767 49 G HN 0.651 nan 8.290 nan 0.000 0.552 50 T N 0.618 115.230 114.554 0.097 0.000 2.746 50 T HA 0.037 4.386 4.350 -0.000 0.000 0.267 50 T C 2.615 177.375 174.700 0.100 0.000 1.039 50 T CA 2.204 64.362 62.100 0.097 0.000 1.142 50 T CB -0.477 68.430 68.868 0.064 0.000 0.866 50 T HN 0.389 nan 8.240 nan 0.000 0.444 51 A N 1.721 124.618 122.820 0.127 0.000 1.873 51 A HA 0.177 4.497 4.320 -0.000 0.000 0.218 51 A C 2.902 180.569 177.584 0.138 0.000 1.193 51 A CA 2.507 54.653 52.037 0.181 0.000 0.629 51 A CB -1.643 17.443 19.000 0.143 0.000 0.826 51 A HN 0.864 nan 8.150 nan 0.000 0.447 52 A N -1.003 121.853 122.820 0.060 0.000 1.873 52 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 52 A C 2.554 180.146 177.584 0.013 0.000 1.193 52 A CA 2.596 54.639 52.037 0.010 0.000 0.629 52 A CB -1.140 17.807 19.000 -0.087 0.000 0.826 52 A HN 0.601 nan 8.150 nan 0.000 0.447 53 S N -1.031 114.686 115.700 0.028 0.000 2.357 53 S HA -0.109 4.361 4.470 -0.000 0.000 0.221 53 S C 1.988 176.593 174.600 0.007 0.000 1.031 53 S CA 1.811 60.060 58.200 0.082 0.000 0.982 53 S CB -0.588 62.778 63.200 0.276 0.000 0.853 53 S HN 1.046 nan 8.310 nan 0.000 0.458 54 V N -0.795 119.084 119.914 -0.059 0.000 3.129 54 V HA 0.187 4.307 4.120 -0.000 0.000 0.259 54 V C 1.354 177.207 176.094 -0.401 0.000 1.116 54 V CA 1.471 63.628 62.300 -0.239 0.000 1.127 54 V CB -0.594 31.044 31.823 -0.309 0.000 0.742 54 V HN 0.626 nan 8.190 nan 0.000 0.474 55 H N 0.065 119.150 119.070 0.025 0.000 3.457 55 H HA 0.352 4.908 4.556 -0.000 0.000 0.255 55 H C 1.820 177.159 175.328 0.018 0.000 1.082 55 H CA 0.434 56.494 56.048 0.020 0.000 1.189 55 H CB 0.863 30.638 29.762 0.022 0.000 1.511 55 H HN 0.552 nan 8.280 nan 0.000 0.527 56 G N 2.024 110.887 108.800 0.105 0.000 2.273 56 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 56 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 56 G C -0.044 174.899 174.900 0.071 0.000 1.047 56 G CA 0.649 45.789 45.100 0.067 0.000 0.869 56 G HN 0.347 nan 8.290 nan 0.000 0.502 57 Q N -1.004 118.850 119.800 0.089 0.000 2.423 57 Q HA 0.808 5.148 4.340 -0.000 0.000 0.278 57 Q C 0.362 176.399 176.000 0.062 0.000 1.097 57 Q CA 0.251 56.097 55.803 0.071 0.000 0.809 57 Q CB 1.681 30.463 28.738 0.073 0.000 1.391 57 Q HN 1.072 nan 8.270 nan 0.000 0.428 58 A N 1.127 123.976 122.820 0.049 0.000 2.387 58 A HA 0.190 4.510 4.320 -0.000 0.000 0.251 58 A C -0.364 177.258 177.584 0.063 0.000 1.113 58 A CA 0.131 52.200 52.037 0.053 0.000 0.794 58 A CB 0.006 19.033 19.000 0.045 0.000 1.069 58 A HN 0.713 nan 8.150 nan 0.000 0.506 59 D N 0.052 120.496 120.400 0.073 0.000 2.468 59 D HA 0.414 5.054 4.640 -0.000 0.000 0.218 59 D C -0.115 176.227 176.300 0.070 0.000 1.155 59 D CA 0.271 54.322 54.000 0.084 0.000 0.924 59 D CB -0.267 40.596 40.800 0.105 0.000 1.029 59 D HN 0.338 nan 8.370 nan 0.000 0.515 60 L N 2.351 123.609 121.223 0.059 0.000 3.333 60 L HA 0.318 4.658 4.340 -0.000 0.000 0.299 60 L C 1.175 178.071 176.870 0.042 0.000 1.256 60 L CA -0.224 54.643 54.840 0.044 0.000 1.037 60 L CB 0.660 42.738 42.059 0.031 0.000 1.423 60 L HN 0.604 nan 8.230 nan 0.000 0.605 61 G N 0.802 109.638 108.800 0.059 0.000 2.198 61 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 61 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 61 G C 0.666 175.598 174.900 0.053 0.000 1.042 61 G CA 0.267 45.408 45.100 0.069 0.000 0.791 61 G HN 0.208 nan 8.290 nan 0.000 0.502 62 I N -0.099 120.485 120.570 0.024 0.000 2.480 62 I HA 0.059 4.229 4.170 -0.000 0.000 0.251 62 I C 2.011 178.068 176.117 -0.101 0.000 1.124 62 I CA 0.082 61.339 61.300 -0.072 0.000 1.444 62 I CB -1.330 36.584 38.000 -0.144 0.000 1.098 62 I HN 0.333 nan 8.210 nan 0.000 0.428 63 C N 1.920 121.239 119.300 0.032 0.000 2.644 63 C HA 0.329 4.789 4.460 -0.000 0.000 0.417 63 C C 1.403 176.438 174.990 0.075 0.000 1.304 63 C CA -0.145 58.938 59.018 0.109 0.000 2.035 63 C CB 0.668 28.524 27.740 0.192 0.000 2.673 63 C HN 0.433 nan 8.230 nan 0.000 0.602 64 T N 0.800 115.351 114.554 -0.006 0.000 2.884 64 T HA 0.287 4.637 4.350 -0.000 0.000 0.277 64 T C 1.030 175.430 174.700 -0.499 0.000 0.976 64 T CA -0.608 61.402 62.100 -0.150 0.000 0.956 64 T CB 0.466 69.288 68.868 -0.076 0.000 1.113 64 T HN 0.543 nan 8.240 nan 0.000 0.554 65 L N 2.560 123.330 121.223 -0.754 0.000 2.012 65 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 65 L C 2.067 178.759 176.870 -0.297 0.000 1.073 65 L CA 2.228 56.615 54.840 -0.754 0.000 0.748 65 L CB -1.426 40.356 42.059 -0.462 0.000 0.891 65 L HN 0.755 nan 8.230 nan 0.000 0.431 66 N N 0.172 118.766 118.700 -0.177 0.000 2.037 66 N HA -0.223 4.517 4.740 -0.000 0.000 0.196 66 N C 1.502 176.967 175.510 -0.075 0.000 1.034 66 N CA 1.920 54.916 53.050 -0.091 0.000 0.861 66 N CB -0.672 37.782 38.487 -0.055 0.000 1.039 66 N HN 0.459 nan 8.380 nan 0.000 0.427 67 D N -0.095 120.269 120.400 -0.060 0.000 2.117 67 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 67 D C 1.827 178.106 176.300 -0.035 0.000 0.987 67 D CA 0.935 54.925 54.000 -0.017 0.000 0.829 67 D CB -0.141 40.721 40.800 0.103 0.000 0.961 67 D HN 0.232 nan 8.370 nan 0.000 0.460 68 M N 0.185 119.754 119.600 -0.051 0.000 2.236 68 M HA -0.031 4.449 4.480 -0.000 0.000 0.266 68 M C 2.093 178.381 176.300 -0.021 0.000 1.070 68 M CA 0.649 55.956 55.300 0.012 0.000 1.137 68 M CB -0.611 32.048 32.600 0.099 0.000 1.378 68 M HN -0.041 nan 8.290 nan 0.000 0.426 69 R N 0.759 121.250 120.500 -0.016 0.000 2.115 69 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 69 R C 1.856 178.078 176.300 -0.130 0.000 1.100 69 R CA 1.547 57.605 56.100 -0.069 0.000 0.980 69 R CB -0.325 29.999 30.300 0.040 0.000 0.875 69 R HN 0.302 nan 8.270 nan 0.000 0.445 70 A N 1.156 123.921 122.820 -0.092 0.000 1.854 70 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 70 A C 2.096 179.617 177.584 -0.105 0.000 1.192 70 A CA 1.396 53.379 52.037 -0.089 0.000 0.611 70 A CB -0.887 18.072 19.000 -0.069 0.000 0.832 70 A HN 0.543 nan 8.150 nan 0.000 0.442 71 N N -0.063 118.576 118.700 -0.101 0.000 2.060 71 N HA -0.215 4.525 4.740 -0.000 0.000 0.195 71 N C 1.865 177.290 175.510 -0.142 0.000 1.028 71 N CA 1.423 54.409 53.050 -0.106 0.000 0.861 71 N CB -0.158 38.281 38.487 -0.080 0.000 1.029 71 N HN 0.448 nan 8.380 nan 0.000 0.428 72 A N 0.562 123.262 122.820 -0.200 0.000 1.970 72 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 72 A C 1.961 179.400 177.584 -0.241 0.000 1.170 72 A CA 0.986 52.862 52.037 -0.268 0.000 0.645 72 A CB -0.363 18.350 19.000 -0.479 0.000 0.816 72 A HN 0.498 nan 8.150 nan 0.000 0.447 73 E N -0.075 119.994 120.200 -0.217 0.000 2.072 73 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 73 E C 2.000 178.534 176.600 -0.110 0.000 0.985 73 E CA 1.815 58.124 56.400 -0.152 0.000 0.801 73 E CB -0.222 29.405 29.700 -0.121 0.000 0.750 73 E HN 0.659 nan 8.360 nan 0.000 0.452 74 M N 0.122 119.659 119.600 -0.105 0.000 2.200 74 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 74 M C 1.784 178.033 176.300 -0.085 0.000 1.066 74 M CA 1.520 56.769 55.300 -0.085 0.000 1.127 74 M CB -0.438 32.114 32.600 -0.078 0.000 1.379 74 M HN 0.125 nan 8.290 nan 0.000 0.420 75 I N 0.351 120.860 120.570 -0.102 0.000 2.142 75 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 75 I C 2.246 178.318 176.117 -0.075 0.000 1.078 75 I CA 1.517 62.759 61.300 -0.096 0.000 1.343 75 I CB -0.727 37.205 38.000 -0.114 0.000 1.046 75 I HN 0.384 nan 8.210 nan 0.000 0.405 76 S N 0.636 116.287 115.700 -0.082 0.000 2.420 76 S HA -0.151 4.319 4.470 -0.000 0.000 0.237 76 S C 1.565 176.140 174.600 -0.042 0.000 1.023 76 S CA 1.240 59.404 58.200 -0.060 0.000 0.991 76 S CB -0.304 62.853 63.200 -0.072 0.000 0.792 76 S HN 0.458 nan 8.310 nan 0.000 0.488 77 N N 0.300 118.972 118.700 -0.047 0.000 2.254 77 N HA 0.275 5.015 4.740 -0.000 0.000 0.190 77 N C 1.290 176.782 175.510 -0.031 0.000 1.107 77 N CA 0.059 53.087 53.050 -0.036 0.000 0.869 77 N CB 0.113 38.576 38.487 -0.039 0.000 0.983 77 N HN 0.346 nan 8.380 nan 0.000 0.487 78 I N 0.016 120.565 120.570 -0.034 0.000 2.264 78 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 78 I C 0.770 176.878 176.117 -0.015 0.000 1.111 78 I CA 1.097 62.381 61.300 -0.027 0.000 1.382 78 I CB 0.115 38.096 38.000 -0.032 0.000 1.060 78 I HN -0.068 nan 8.210 nan 0.000 0.418 79 S N -0.493 115.200 115.700 -0.012 0.000 2.571 79 S HA 0.347 4.817 4.470 -0.000 0.000 0.238 79 S C -2.140 172.459 174.600 -0.001 0.000 1.153 79 S CA -1.174 57.025 58.200 -0.002 0.000 1.141 79 S CB 0.881 64.086 63.200 0.008 0.000 1.133 79 S HN -0.169 nan 8.310 nan 0.000 0.464 80 P HA 0.105 nan 4.420 nan 0.000 0.229 80 P C 1.096 178.399 177.300 0.004 0.000 1.160 80 P CA 0.464 63.563 63.100 -0.003 0.000 0.777 80 P CB 0.230 31.927 31.700 -0.005 0.000 0.814 81 S N -1.609 114.095 115.700 0.007 0.000 2.522 81 S HA 0.025 4.495 4.470 -0.000 0.000 0.227 81 S C 0.739 175.349 174.600 0.017 0.000 0.986 81 S CA 0.774 58.981 58.200 0.012 0.000 0.929 81 S CB -0.661 62.546 63.200 0.012 0.000 0.769 81 S HN 0.180 nan 8.310 nan 0.000 0.529 82 T N 4.267 118.832 114.554 0.018 0.000 2.753 82 T HA 0.330 4.680 4.350 -0.000 0.000 0.297 82 T C -2.744 171.969 174.700 0.023 0.000 0.981 82 T CA -1.447 60.669 62.100 0.026 0.000 0.956 82 T CB 1.297 70.186 68.868 0.035 0.000 0.936 82 T HN -0.037 nan 8.240 nan 0.000 0.463 83 P HA 0.125 nan 4.420 nan 0.000 0.261 83 P C -0.800 176.516 177.300 0.027 0.000 1.183 83 P CA -0.149 62.965 63.100 0.024 0.000 0.761 83 P CB 0.370 32.081 31.700 0.018 0.000 0.785 84 V N 6.269 126.198 119.914 0.024 0.000 2.370 84 V HA 0.309 4.429 4.120 -0.000 0.000 0.283 84 V C 0.446 176.573 176.094 0.055 0.000 1.023 84 V CA -0.441 61.872 62.300 0.021 0.000 0.857 84 V CB 1.205 33.016 31.823 -0.020 0.000 0.985 84 V HN 0.382 nan 8.190 nan 0.000 0.443 85 I N 4.773 125.404 120.570 0.101 0.000 2.297 85 I HA 0.599 4.769 4.170 -0.000 0.000 0.291 85 I C 0.532 176.755 176.117 0.177 0.000 1.033 85 I CA -0.014 61.398 61.300 0.186 0.000 1.253 85 I CB 1.249 39.397 38.000 0.247 0.000 1.396 85 I HN 0.671 nan 8.210 nan 0.000 0.476 86 A N 5.199 128.102 122.820 0.137 0.000 2.304 86 A HA 0.344 4.664 4.320 -0.000 0.000 0.323 86 A C -0.339 177.279 177.584 0.056 0.000 1.195 86 A CA -0.655 51.402 52.037 0.034 0.000 0.826 86 A CB 0.740 19.739 19.000 -0.002 0.000 1.184 86 A HN 0.647 nan 8.150 nan 0.000 0.496 87 D N 1.786 122.121 120.400 -0.109 0.000 2.533 87 D HA 0.233 4.873 4.640 -0.000 0.000 0.236 87 D C 0.766 177.119 176.300 0.089 0.000 1.137 87 D CA 1.198 55.081 54.000 -0.195 0.000 0.867 87 D CB 0.921 41.758 40.800 0.062 0.000 1.170 87 D HN 0.544 nan 8.370 nan 0.000 0.474 88 A N 3.794 126.621 122.820 0.012 0.000 2.571 88 A HA 0.153 4.473 4.320 -0.000 0.000 0.274 88 A C 0.872 178.415 177.584 -0.069 0.000 1.196 88 A CA -0.030 52.047 52.037 0.066 0.000 0.957 88 A CB 0.276 19.232 19.000 -0.074 0.000 1.150 88 A HN 0.681 nan 8.150 nan 0.000 0.539 89 D N 0.080 120.487 120.400 0.011 0.000 3.750 89 D HA -0.267 4.373 4.640 -0.000 0.000 0.149 89 D C 1.232 177.448 176.300 -0.139 0.000 0.867 89 D CA 2.794 56.750 54.000 -0.074 0.000 1.010 89 D CB -1.128 39.546 40.800 -0.209 0.000 0.462 89 D HN 0.671 nan 8.370 nan 0.000 0.436 90 T N -1.936 112.427 114.554 -0.318 0.000 3.163 90 T HA 0.451 4.801 4.350 -0.000 0.000 0.252 90 T C 1.347 175.872 174.700 -0.292 0.000 1.056 90 T CA 1.133 63.106 62.100 -0.211 0.000 0.947 90 T CB 0.325 69.109 68.868 -0.140 0.000 1.016 90 T HN 1.162 nan 8.240 nan 0.000 0.554 91 G N 1.403 109.883 108.800 -0.532 0.000 2.159 91 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.256 91 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.256 91 G C 0.448 175.214 174.900 -0.224 0.000 0.977 91 G CA 0.106 44.994 45.100 -0.353 0.000 0.652 91 G HN 0.792 nan 8.290 nan 0.000 0.531 92 Y N -2.436 117.843 120.300 -0.035 0.000 4.490 92 Y HA -0.043 4.507 4.550 -0.000 0.000 0.233 92 Y C 1.695 177.583 175.900 -0.020 0.000 1.101 92 Y CA 1.775 59.860 58.100 -0.025 0.000 2.010 92 Y CB -1.567 36.873 38.460 -0.032 0.000 1.622 92 Y HN 1.924 nan 8.280 nan 0.000 0.675 93 G N -1.546 107.269 108.800 0.025 0.000 2.441 93 G HA2 0.461 4.421 3.960 -0.000 0.000 0.222 93 G HA3 0.461 4.421 3.960 -0.000 0.000 0.222 93 G C 0.209 175.110 174.900 0.002 0.000 1.254 93 G CA -0.151 44.962 45.100 0.022 0.000 0.959 93 G HN 0.729 nan 8.290 nan 0.000 0.474 94 G N -0.173 108.631 108.800 0.007 0.000 2.516 94 G HA2 0.502 4.462 3.960 -0.000 0.000 0.276 94 G HA3 0.502 4.462 3.960 -0.000 0.000 0.276 94 G C -0.960 173.938 174.900 -0.002 0.000 1.390 94 G CA 0.166 45.266 45.100 0.001 0.000 1.050 94 G HN 0.459 nan 8.290 nan 0.000 0.519 95 P HA -0.052 nan 4.420 nan 0.000 0.220 95 P C 1.913 179.210 177.300 -0.006 0.000 1.148 95 P CA 0.417 63.513 63.100 -0.007 0.000 0.803 95 P CB 0.129 31.825 31.700 -0.006 0.000 0.782 96 I N -1.596 118.973 120.570 -0.002 0.000 2.226 96 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 96 I C 2.121 178.237 176.117 -0.002 0.000 1.100 96 I CA 1.655 62.954 61.300 -0.001 0.000 1.374 96 I CB -1.416 36.585 38.000 0.002 0.000 1.057 96 I HN 0.034 nan 8.210 nan 0.000 0.413 97 M N -0.006 119.597 119.600 0.005 0.000 2.193 97 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 97 M C 2.533 178.830 176.300 -0.005 0.000 1.071 97 M CA 1.066 56.376 55.300 0.016 0.000 1.140 97 M CB -1.064 31.565 32.600 0.048 0.000 1.369 97 M HN 0.034 nan 8.290 nan 0.000 0.423 98 V N 0.756 120.657 119.914 -0.022 0.000 2.392 98 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 98 V C 2.706 178.754 176.094 -0.078 0.000 1.059 98 V CA 1.874 64.141 62.300 -0.056 0.000 1.051 98 V CB -1.436 30.367 31.823 -0.033 0.000 0.658 98 V HN 0.470 nan 8.190 nan 0.000 0.455 99 A N 0.113 122.908 122.820 -0.042 0.000 1.873 99 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 99 A C 2.361 179.913 177.584 -0.052 0.000 1.186 99 A CA 1.690 53.706 52.037 -0.035 0.000 0.616 99 A CB -0.487 18.506 19.000 -0.012 0.000 0.823 99 A HN 0.504 nan 8.150 nan 0.000 0.442 100 R N -0.768 119.706 120.500 -0.043 0.000 2.152 100 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 100 R C 2.107 178.363 176.300 -0.075 0.000 1.117 100 R CA 1.684 57.759 56.100 -0.041 0.000 0.981 100 R CB -0.618 29.670 30.300 -0.021 0.000 0.870 100 R HN 0.532 nan 8.270 nan 0.000 0.451 101 T N 0.009 114.481 114.554 -0.136 0.000 2.770 101 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 101 T C 1.824 176.247 174.700 -0.460 0.000 1.039 101 T CA 1.725 63.648 62.100 -0.295 0.000 1.142 101 T CB -0.195 68.464 68.868 -0.349 0.000 0.868 101 T HN 0.296 nan 8.240 nan 0.000 0.435 102 T N 2.152 116.458 114.554 -0.413 0.000 2.746 102 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 102 T C 1.949 176.584 174.700 -0.109 0.000 1.039 102 T CA 1.266 63.133 62.100 -0.387 0.000 1.142 102 T CB -0.258 68.549 68.868 -0.103 0.000 0.866 102 T HN 0.506 nan 8.240 nan 0.000 0.444 103 E N 1.061 121.229 120.200 -0.053 0.000 2.028 103 E HA -0.116 4.233 4.350 -0.000 0.000 0.191 103 E C 2.559 179.180 176.600 0.034 0.000 0.988 103 E CA 0.949 57.354 56.400 0.007 0.000 0.799 103 E CB -0.131 29.571 29.700 0.003 0.000 0.755 103 E HN 0.503 nan 8.360 nan 0.000 0.447 104 Q N -0.478 119.343 119.800 0.035 0.000 2.124 104 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 104 Q C 1.828 177.922 176.000 0.156 0.000 0.977 104 Q CA 1.182 57.031 55.803 0.077 0.000 0.850 104 Q CB -0.090 28.694 28.738 0.077 0.000 0.901 104 Q HN 0.335 nan 8.270 nan 0.000 0.429 105 Y N 0.235 120.476 120.300 -0.098 0.000 2.274 105 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 105 Y C 2.560 178.461 175.900 0.003 0.000 1.145 105 Y CA 0.977 59.037 58.100 -0.066 0.000 1.203 105 Y CB -0.341 38.033 38.460 -0.143 0.000 0.984 105 Y HN 0.043 nan 8.280 nan 0.000 0.533 106 S N -0.342 115.457 115.700 0.164 0.000 2.338 106 S HA -0.144 4.326 4.470 -0.000 0.000 0.218 106 S C 2.078 176.720 174.600 0.070 0.000 1.032 106 S CA 0.950 59.224 58.200 0.123 0.000 0.999 106 S CB -0.220 63.044 63.200 0.107 0.000 0.905 106 S HN 0.386 nan 8.310 nan 0.000 0.439 107 R N 1.227 121.757 120.500 0.051 0.000 2.119 107 R HA -0.075 4.265 4.340 -0.000 0.000 0.246 107 R C 2.434 178.739 176.300 0.009 0.000 1.146 107 R CA 1.589 57.705 56.100 0.026 0.000 0.962 107 R CB -0.684 29.627 30.300 0.019 0.000 0.863 107 R HN 0.256 nan 8.270 nan 0.000 0.442 108 S N -0.924 114.774 115.700 -0.002 0.000 2.469 108 S HA -0.031 4.439 4.470 -0.000 0.000 0.238 108 S C 1.275 175.852 174.600 -0.039 0.000 0.998 108 S CA 1.066 59.240 58.200 -0.044 0.000 0.957 108 S CB 0.165 63.299 63.200 -0.109 0.000 0.764 108 S HN 0.732 nan 8.310 nan 0.000 0.514 109 G N 0.523 109.318 108.800 -0.008 0.000 2.131 109 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.223 109 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.223 109 G C 0.113 175.017 174.900 0.006 0.000 0.990 109 G CA 0.004 45.105 45.100 0.002 0.000 0.671 109 G HN 0.403 nan 8.290 nan 0.000 0.521 110 V N 0.384 120.305 119.914 0.011 0.000 2.763 110 V HA 0.396 4.516 4.120 -0.000 0.000 0.306 110 V C 1.757 177.911 176.094 0.099 0.000 1.059 110 V CA 1.146 63.469 62.300 0.039 0.000 1.138 110 V CB 1.168 33.016 31.823 0.042 0.000 0.940 110 V HN 0.903 nan 8.190 nan 0.000 0.489 111 A N 3.496 126.367 122.820 0.084 0.000 1.943 111 A HA 0.671 4.991 4.320 -0.000 0.000 0.213 111 A C 0.999 178.636 177.584 0.090 0.000 1.181 111 A CA 0.975 53.057 52.037 0.075 0.000 0.653 111 A CB 0.071 19.097 19.000 0.044 0.000 0.833 111 A HN 1.278 nan 8.150 nan 0.000 0.451 112 A N -0.885 122.007 122.820 0.120 0.000 2.549 112 A HA 0.679 4.999 4.320 -0.000 0.000 0.297 112 A C -0.969 176.737 177.584 0.205 0.000 1.061 112 A CA -0.523 51.556 52.037 0.070 0.000 0.690 112 A CB 0.742 19.758 19.000 0.028 0.000 1.287 112 A HN 1.143 nan 8.150 nan 0.000 0.402 113 F N -0.471 119.575 119.950 0.160 0.000 2.601 113 F HA 0.799 5.326 4.527 -0.000 0.000 0.309 113 F C -0.743 175.148 175.800 0.151 0.000 1.089 113 F CA -0.905 57.187 58.000 0.154 0.000 0.940 113 F CB 1.126 40.239 39.000 0.188 0.000 1.273 113 F HN 0.782 nan 8.300 nan 0.000 0.450 114 H N 1.730 120.993 119.070 0.320 0.000 2.481 114 H HA 0.759 5.315 4.556 -0.000 0.000 0.333 114 H C -1.326 174.167 175.328 0.275 0.000 1.066 114 H CA -1.425 54.769 56.048 0.243 0.000 1.209 114 H CB 1.224 31.186 29.762 0.334 0.000 1.445 114 H HN 0.793 nan 8.280 nan 0.000 0.488 115 I N 3.491 124.284 120.570 0.371 0.000 2.412 115 I HA 0.270 4.440 4.170 -0.000 0.000 0.296 115 I C 0.337 176.615 176.117 0.268 0.000 0.987 115 I CA -0.829 60.633 61.300 0.271 0.000 1.180 115 I CB 1.619 39.747 38.000 0.213 0.000 1.340 115 I HN 0.820 nan 8.210 nan 0.000 0.455 116 E N 4.100 124.415 120.200 0.192 0.000 2.334 116 E HA 0.293 4.643 4.350 -0.000 0.000 0.256 116 E C -0.970 175.694 176.600 0.107 0.000 0.958 116 E CA -0.629 55.838 56.400 0.113 0.000 0.821 116 E CB 1.478 31.156 29.700 -0.037 0.000 1.269 116 E HN 0.621 nan 8.360 nan 0.000 0.413 117 D N -0.340 119.961 120.400 -0.165 0.000 2.342 117 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 117 D C 0.032 176.261 176.300 -0.119 0.000 1.101 117 D CA -0.125 53.724 54.000 -0.251 0.000 0.837 117 D CB 0.035 40.354 40.800 -0.801 0.000 0.938 117 D HN 0.274 nan 8.370 nan 0.000 0.508 118 Q N 0.566 120.321 119.800 -0.075 0.000 2.417 118 Q HA 0.235 4.575 4.340 -0.000 0.000 0.241 118 Q C 0.240 176.223 176.000 -0.027 0.000 1.008 118 Q CA -0.558 55.217 55.803 -0.047 0.000 0.901 118 Q CB 1.772 30.487 28.738 -0.039 0.000 1.259 118 Q HN 0.022 nan 8.270 nan 0.000 0.489 119 V N 1.863 121.764 119.914 -0.023 0.000 2.901 119 V HA -0.176 3.944 4.120 -0.000 0.000 0.307 119 V C 1.552 177.634 176.094 -0.020 0.000 1.084 119 V CA 0.574 62.862 62.300 -0.019 0.000 1.184 119 V CB 0.577 32.386 31.823 -0.024 0.000 0.941 119 V HN 0.883 nan 8.190 nan 0.000 0.493 120 Q N 1.569 121.358 119.800 -0.019 0.000 2.123 120 Q HA -0.069 4.271 4.340 -0.000 0.000 0.199 120 Q C 0.406 176.405 176.000 -0.000 0.000 0.966 120 Q CA 1.220 57.010 55.803 -0.022 0.000 0.845 120 Q CB 0.295 29.022 28.738 -0.018 0.000 0.907 120 Q HN 0.848 nan 8.270 nan 0.000 0.439 121 T N 1.590 116.146 114.554 0.004 0.000 2.864 121 T HA 0.321 4.671 4.350 -0.000 0.000 0.310 121 T C -1.129 173.576 174.700 0.009 0.000 1.040 121 T CA -0.518 61.590 62.100 0.013 0.000 0.977 121 T CB 1.484 70.360 68.868 0.014 0.000 0.976 121 T HN 0.056 nan 8.240 nan 0.000 0.459 122 K N 2.216 122.627 120.400 0.019 0.000 2.355 122 K HA 0.255 4.575 4.320 -0.000 0.000 0.270 122 K C 0.730 177.357 176.600 0.045 0.000 1.003 122 K CA -0.364 55.941 56.287 0.030 0.000 0.957 122 K CB 0.731 33.267 32.500 0.060 0.000 0.939 122 K HN 0.375 nan 8.250 nan 0.000 0.482 123 R N 1.389 121.919 120.500 0.050 0.000 2.582 123 R HA 0.039 4.378 4.340 -0.000 0.000 0.271 123 R C -0.157 176.216 176.300 0.122 0.000 1.078 123 R CA -0.336 55.804 56.100 0.066 0.000 1.127 123 R CB 0.674 30.991 30.300 0.028 0.000 1.038 123 R HN 0.787 nan 8.270 nan 0.000 0.500 124 C N 2.503 121.851 119.300 0.081 0.000 2.502 124 C HA 0.134 4.594 4.460 -0.000 0.000 0.404 124 C C 1.665 176.704 174.990 0.081 0.000 1.409 124 C CA 1.262 60.318 59.018 0.064 0.000 1.648 124 C CB -1.297 26.467 27.740 0.040 0.000 2.571 124 C HN 1.053 nan 8.230 nan 0.000 0.601 125 G N 4.340 113.149 108.800 0.016 0.000 2.184 125 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 125 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 125 G C 0.451 175.208 174.900 -0.239 0.000 0.975 125 G CA 0.735 45.783 45.100 -0.086 0.000 0.642 125 G HN 0.995 nan 8.290 nan 0.000 0.536 126 H N -0.683 118.386 119.070 -0.000 0.000 2.581 126 H HA 0.243 4.799 4.556 0.000 0.000 0.275 126 H C 0.979 176.308 175.328 0.001 0.000 1.126 126 H CA 0.257 56.305 56.048 -0.001 0.000 1.097 126 H CB 0.423 30.183 29.762 -0.003 0.000 1.626 126 H HN 0.521 nan 8.280 nan 0.000 0.565 127 L N -0.215 121.039 121.223 0.052 0.000 2.367 127 L HA 0.564 4.904 4.340 -0.000 0.000 0.275 127 L C 0.558 177.449 176.870 0.034 0.000 1.129 127 L CA -0.993 53.874 54.840 0.046 0.000 0.839 127 L CB 0.159 42.236 42.059 0.029 0.000 1.133 127 L HN 0.136 nan 8.230 nan 0.000 0.453 128 A N 1.963 124.808 122.820 0.041 0.000 1.836 128 A HA 0.452 4.772 4.320 -0.000 0.000 0.291 128 A C 0.480 178.088 177.584 0.039 0.000 1.178 128 A CA 0.420 52.478 52.037 0.036 0.000 0.617 128 A CB -1.984 17.031 19.000 0.025 0.000 1.606 128 A HN 2.894 nan 8.150 nan 0.000 0.267 129 G N 1.313 110.139 108.800 0.042 0.000 2.343 129 G HA2 0.591 4.551 3.960 -0.000 0.000 0.289 129 G HA3 0.591 4.551 3.960 -0.000 0.000 0.289 129 G C -1.229 173.691 174.900 0.034 0.000 1.295 129 G CA -0.314 44.813 45.100 0.045 0.000 0.869 129 G HN 1.195 nan 8.290 nan 0.000 0.522 130 K N 0.893 121.309 120.400 0.027 0.000 2.572 130 K HA 0.477 4.797 4.320 -0.000 0.000 0.244 130 K C -0.729 175.870 176.600 -0.002 0.000 0.965 130 K CA -0.703 55.588 56.287 0.007 0.000 0.943 130 K CB 2.024 34.522 32.500 -0.003 0.000 1.154 130 K HN 0.341 nan 8.250 nan 0.000 0.447 131 I N 4.622 125.184 120.570 -0.015 0.000 2.336 131 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 131 I C 0.322 176.422 176.117 -0.027 0.000 0.991 131 I CA -0.647 60.626 61.300 -0.045 0.000 1.227 131 I CB 0.807 38.752 38.000 -0.091 0.000 1.366 131 I HN 0.470 nan 8.210 nan 0.000 0.466 132 L N 5.655 126.874 121.223 -0.007 0.000 2.335 132 L HA 0.655 4.995 4.340 -0.000 0.000 0.268 132 L C -0.068 176.809 176.870 0.011 0.000 1.016 132 L CA -1.012 53.834 54.840 0.010 0.000 0.805 132 L CB 2.124 44.230 42.059 0.078 0.000 1.311 132 L HN 0.234 nan 8.230 nan 0.000 0.456 133 V N -0.283 119.630 119.914 -0.003 0.000 2.994 133 V HA 0.253 4.373 4.120 -0.000 0.000 0.318 133 V C -0.754 175.345 176.094 0.008 0.000 1.085 133 V CA -0.710 61.595 62.300 0.009 0.000 0.998 133 V CB 2.365 34.198 31.823 0.017 0.000 1.063 133 V HN 0.859 nan 8.190 nan 0.000 0.447 134 D N 1.466 121.879 120.400 0.022 0.000 2.344 134 D HA 0.067 4.707 4.640 -0.000 0.000 0.244 134 D C 0.871 177.189 176.300 0.029 0.000 1.134 134 D CA -0.102 53.906 54.000 0.014 0.000 0.930 134 D CB 1.302 42.114 40.800 0.021 0.000 1.175 134 D HN 0.529 nan 8.370 nan 0.000 0.437 135 T N 0.791 115.349 114.554 0.007 0.000 2.653 135 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 135 T C 1.096 175.854 174.700 0.097 0.000 1.035 135 T CA 1.769 63.909 62.100 0.068 0.000 1.154 135 T CB -0.250 68.629 68.868 0.019 0.000 0.862 135 T HN 0.477 nan 8.240 nan 0.000 0.441 136 D N 0.899 121.325 120.400 0.043 0.000 2.097 136 D HA -0.063 4.577 4.640 -0.000 0.000 0.195 136 D C 2.402 178.719 176.300 0.028 0.000 0.989 136 D CA 1.361 55.374 54.000 0.023 0.000 0.827 136 D CB -0.838 39.967 40.800 0.008 0.000 0.966 136 D HN 0.361 nan 8.370 nan 0.000 0.456 137 T N 0.385 114.964 114.554 0.043 0.000 2.759 137 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 137 T C 1.785 176.534 174.700 0.082 0.000 1.042 137 T CA 1.093 63.221 62.100 0.047 0.000 1.140 137 T CB -0.461 68.433 68.868 0.043 0.000 0.864 137 T HN 0.191 nan 8.240 nan 0.000 0.455 138 Y N 1.879 122.162 120.300 -0.027 0.000 2.133 138 Y HA -0.097 4.453 4.550 -0.000 0.000 0.287 138 Y C 2.371 178.263 175.900 -0.014 0.000 1.134 138 Y CA 0.482 58.566 58.100 -0.025 0.000 1.133 138 Y CB -0.895 37.541 38.460 -0.040 0.000 0.987 138 Y HN -0.032 nan 8.280 nan 0.000 0.502 139 V N 0.001 119.790 119.914 -0.209 0.000 2.380 139 V HA -0.353 3.767 4.120 -0.000 0.000 0.251 139 V C 2.310 178.312 176.094 -0.154 0.000 1.063 139 V CA 2.520 64.672 62.300 -0.248 0.000 1.055 139 V CB -1.046 30.707 31.823 -0.117 0.000 0.657 139 V HN 0.548 nan 8.190 nan 0.000 0.455 140 T N -0.710 113.795 114.554 -0.081 0.000 2.803 140 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 140 T C 2.025 176.691 174.700 -0.057 0.000 1.052 140 T CA 1.491 63.560 62.100 -0.052 0.000 1.136 140 T CB -0.187 68.668 68.868 -0.022 0.000 0.864 140 T HN 0.479 nan 8.240 nan 0.000 0.467 141 R N 0.304 120.759 120.500 -0.076 0.000 2.066 141 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 141 R C 2.342 178.600 176.300 -0.070 0.000 1.131 141 R CA 1.060 57.126 56.100 -0.058 0.000 0.955 141 R CB -0.321 29.963 30.300 -0.027 0.000 0.851 141 R HN 0.283 nan 8.270 nan 0.000 0.432 142 I N 0.854 121.322 120.570 -0.170 0.000 2.226 142 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 142 I C 2.445 178.528 176.117 -0.058 0.000 1.100 142 I CA 1.450 62.670 61.300 -0.134 0.000 1.374 142 I CB -0.975 36.868 38.000 -0.262 0.000 1.057 142 I HN 0.190 nan 8.210 nan 0.000 0.413 143 R N 1.197 121.654 120.500 -0.070 0.000 2.061 143 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 143 R C 2.462 178.757 176.300 -0.009 0.000 1.140 143 R CA 1.668 57.745 56.100 -0.037 0.000 0.940 143 R CB -0.349 29.923 30.300 -0.046 0.000 0.839 143 R HN 0.248 nan 8.270 nan 0.000 0.429 144 A N 0.814 123.627 122.820 -0.011 0.000 1.954 144 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 144 A C 2.349 179.948 177.584 0.025 0.000 1.199 144 A CA 2.337 54.375 52.037 0.003 0.000 0.657 144 A CB -1.105 17.891 19.000 -0.005 0.000 0.823 144 A HN 0.633 nan 8.150 nan 0.000 0.463 145 A N -0.952 121.901 122.820 0.054 0.000 1.832 145 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 145 A C 2.215 179.878 177.584 0.130 0.000 1.204 145 A CA 1.723 53.842 52.037 0.136 0.000 0.606 145 A CB -1.173 17.982 19.000 0.257 0.000 0.849 145 A HN 0.530 nan 8.150 nan 0.000 0.445 146 V N 0.362 120.328 119.914 0.087 0.000 2.324 146 V HA -0.387 3.733 4.120 -0.000 0.000 0.250 146 V C 2.700 178.825 176.094 0.051 0.000 1.060 146 V CA 2.483 64.821 62.300 0.063 0.000 1.042 146 V CB -1.112 30.731 31.823 0.033 0.000 0.650 146 V HN 0.639 nan 8.190 nan 0.000 0.450 147 Q N -0.508 119.313 119.800 0.036 0.000 2.084 147 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 147 Q C 2.447 178.467 176.000 0.033 0.000 0.978 147 Q CA 1.786 57.605 55.803 0.027 0.000 0.844 147 Q CB -0.412 28.334 28.738 0.015 0.000 0.898 147 Q HN 0.702 nan 8.270 nan 0.000 0.426 148 A N 1.979 124.824 122.820 0.041 0.000 1.877 148 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 148 A C 2.058 179.673 177.584 0.052 0.000 1.186 148 A CA 1.763 53.823 52.037 0.038 0.000 0.620 148 A CB -0.610 18.409 19.000 0.031 0.000 0.822 148 A HN 0.438 nan 8.150 nan 0.000 0.443 149 R N -0.589 119.959 120.500 0.080 0.000 2.189 149 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 149 R C 1.897 178.235 176.300 0.064 0.000 1.092 149 R CA 1.644 57.798 56.100 0.091 0.000 0.989 149 R CB -0.383 30.000 30.300 0.137 0.000 0.876 149 R HN 0.596 nan 8.270 nan 0.000 0.457 150 Q N 0.339 120.170 119.800 0.051 0.000 2.163 150 Q HA 0.051 4.390 4.340 -0.000 0.000 0.198 150 Q C 2.113 178.131 176.000 0.031 0.000 0.954 150 Q CA 0.713 56.539 55.803 0.038 0.000 0.851 150 Q CB 0.125 28.882 28.738 0.031 0.000 0.928 150 Q HN 0.332 nan 8.270 nan 0.000 0.459 151 R N 0.810 121.327 120.500 0.029 0.000 2.096 151 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 151 R C 2.048 178.362 176.300 0.024 0.000 1.127 151 R CA 1.355 57.469 56.100 0.023 0.000 0.968 151 R CB -0.115 30.197 30.300 0.020 0.000 0.861 151 R HN 0.377 nan 8.270 nan 0.000 0.440 152 I N -3.641 116.947 120.570 0.030 0.000 3.793 152 I HA 0.329 4.499 4.170 -0.000 0.000 0.315 152 I C 0.697 176.833 176.117 0.032 0.000 1.275 152 I CA 0.514 61.831 61.300 0.030 0.000 1.214 152 I CB 0.419 38.439 38.000 0.032 0.000 1.018 152 I HN 0.193 nan 8.210 nan 0.000 0.439 153 G N 2.105 110.925 108.800 0.033 0.000 2.225 153 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.264 153 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.264 153 G C 0.141 175.065 174.900 0.040 0.000 1.060 153 G CA 0.483 45.602 45.100 0.033 0.000 0.833 153 G HN 0.618 nan 8.290 nan 0.000 0.498 154 S N -0.613 115.117 115.700 0.051 0.000 2.457 154 S HA 0.522 4.992 4.470 -0.000 0.000 0.289 154 S C 0.817 175.458 174.600 0.069 0.000 1.163 154 S CA -0.348 57.891 58.200 0.065 0.000 1.078 154 S CB 0.975 64.225 63.200 0.084 0.000 0.987 154 S HN 0.156 nan 8.310 nan 0.000 0.482 155 D N 3.571 124.008 120.400 0.062 0.000 2.336 155 D HA 0.114 4.754 4.640 -0.000 0.000 0.229 155 D C 0.692 177.030 176.300 0.063 0.000 1.061 155 D CA 0.087 54.120 54.000 0.054 0.000 0.875 155 D CB -0.186 40.640 40.800 0.042 0.000 0.904 155 D HN 0.622 nan 8.370 nan 0.000 0.525 156 I N 1.315 121.943 120.570 0.097 0.000 2.845 156 I HA -0.154 4.016 4.170 -0.000 0.000 0.296 156 I C -0.086 176.059 176.117 0.047 0.000 1.216 156 I CA 0.059 61.431 61.300 0.120 0.000 1.438 156 I CB 0.718 38.870 38.000 0.254 0.000 1.342 156 I HN -0.325 nan 8.210 nan 0.000 0.577 157 V N 8.593 128.499 119.914 -0.013 0.000 2.439 157 V HA 0.050 4.170 4.120 -0.000 0.000 0.271 157 V C 0.186 176.103 176.094 -0.295 0.000 1.040 157 V CA -0.416 61.828 62.300 -0.094 0.000 1.002 157 V CB 0.912 32.695 31.823 -0.067 0.000 1.000 157 V HN 0.424 nan 8.190 nan 0.000 0.477 158 V N 7.444 127.186 119.914 -0.288 0.000 2.408 158 V HA 0.343 4.463 4.120 -0.000 0.000 0.267 158 V C 0.177 176.139 176.094 -0.220 0.000 1.047 158 V CA -0.147 61.885 62.300 -0.446 0.000 0.937 158 V CB 0.933 32.623 31.823 -0.222 0.000 0.999 158 V HN 0.626 nan 8.190 nan 0.000 0.472 159 I N 4.584 125.020 120.570 -0.223 0.000 2.330 159 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 159 I C 0.621 176.816 176.117 0.130 0.000 1.001 159 I CA -0.371 60.925 61.300 -0.007 0.000 1.193 159 I CB 1.485 39.544 38.000 0.099 0.000 1.345 159 I HN 0.656 nan 8.210 nan 0.000 0.461 160 A N 7.563 130.486 122.820 0.172 0.000 2.310 160 A HA 0.433 4.753 4.320 -0.000 0.000 0.300 160 A C 0.054 177.798 177.584 0.265 0.000 1.269 160 A CA -0.364 51.836 52.037 0.271 0.000 0.909 160 A CB 0.175 19.419 19.000 0.407 0.000 1.144 160 A HN 0.810 nan 8.150 nan 0.000 0.540 161 R N 2.204 122.817 120.500 0.188 0.000 2.338 161 R HA 0.498 4.838 4.340 -0.000 0.000 0.317 161 R C -0.725 175.489 176.300 -0.143 0.000 0.968 161 R CA -0.096 55.920 56.100 -0.140 0.000 0.849 161 R CB 1.208 31.190 30.300 -0.530 0.000 1.128 161 R HN 0.595 nan 8.270 nan 0.000 0.448 162 T N 1.877 116.305 114.554 -0.211 0.000 2.797 162 T HA 0.207 4.557 4.350 -0.000 0.000 0.279 162 T C -0.080 174.468 174.700 -0.253 0.000 0.991 162 T CA -0.705 61.226 62.100 -0.282 0.000 0.979 162 T CB 1.067 69.794 68.868 -0.235 0.000 0.943 162 T HN 0.611 nan 8.240 nan 0.000 0.444 163 D N 2.575 122.834 120.400 -0.235 0.000 2.340 163 D HA 0.045 4.685 4.640 -0.000 0.000 0.217 163 D C 1.762 178.020 176.300 -0.071 0.000 1.081 163 D CA 0.241 54.154 54.000 -0.144 0.000 0.842 163 D CB 0.452 41.177 40.800 -0.125 0.000 0.934 163 D HN 0.652 nan 8.370 nan 0.000 0.511 164 S N -0.184 115.465 115.700 -0.085 0.000 2.607 164 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 164 S C 1.917 176.547 174.600 0.051 0.000 0.969 164 S CA -0.216 57.992 58.200 0.014 0.000 0.927 164 S CB -0.167 62.948 63.200 -0.141 0.000 0.772 164 S HN 0.235 nan 8.310 nan 0.000 0.533 165 L N 0.608 121.846 121.223 0.025 0.000 1.990 165 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 165 L C 2.637 179.552 176.870 0.074 0.000 1.072 165 L CA 1.872 56.752 54.840 0.067 0.000 0.755 165 L CB -0.379 41.728 42.059 0.079 0.000 0.889 165 L HN 0.419 nan 8.230 nan 0.000 0.432 166 Q N -1.209 118.621 119.800 0.050 0.000 2.204 166 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 166 Q C 2.112 178.124 176.000 0.019 0.000 0.946 166 Q CA 1.759 57.583 55.803 0.035 0.000 0.859 166 Q CB -0.489 28.261 28.738 0.021 0.000 0.946 166 Q HN 0.648 nan 8.270 nan 0.000 0.474 167 T N -2.448 112.116 114.554 0.017 0.000 2.867 167 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 167 T C 1.203 175.798 174.700 -0.175 0.000 1.057 167 T CA 1.632 63.696 62.100 -0.059 0.000 1.136 167 T CB -0.124 68.722 68.868 -0.037 0.000 0.874 167 T HN 0.307 nan 8.240 nan 0.000 0.466 168 H N 0.409 119.467 119.070 -0.021 0.000 2.926 168 H HA 0.531 5.087 4.556 -0.000 0.000 0.249 168 H C 1.159 176.487 175.328 0.000 0.000 0.963 168 H CA 0.365 56.402 56.048 -0.018 0.000 1.158 168 H CB 1.079 30.818 29.762 -0.037 0.000 1.445 168 H HN 0.718 nan 8.280 nan 0.000 0.452 169 G N -0.431 108.451 108.800 0.136 0.000 2.619 169 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.686 169 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.686 169 G C -0.032 174.945 174.900 0.129 0.000 1.256 169 G CA -0.148 45.024 45.100 0.120 0.000 0.826 169 G HN 0.219 nan 8.290 nan 0.000 0.619 170 Y N 0.787 121.107 120.300 0.035 0.000 2.053 170 Y HA -0.177 4.373 4.550 -0.000 0.000 0.277 170 Y C 2.865 178.781 175.900 0.027 0.000 1.159 170 Y CA 2.956 61.074 58.100 0.031 0.000 1.125 170 Y CB -0.021 38.457 38.460 0.030 0.000 0.969 170 Y HN 0.622 nan 8.280 nan 0.000 0.492 171 E N 0.139 120.347 120.200 0.014 0.000 2.147 171 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 171 E C 2.069 178.588 176.600 -0.135 0.000 1.005 171 E CA 1.729 58.076 56.400 -0.087 0.000 0.810 171 E CB -0.389 29.329 29.700 0.029 0.000 0.736 171 E HN 0.604 nan 8.360 nan 0.000 0.460 172 E N 0.793 120.944 120.200 -0.081 0.000 2.072 172 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 172 E C 2.027 178.533 176.600 -0.158 0.000 0.982 172 E CA 1.441 57.781 56.400 -0.100 0.000 0.803 172 E CB -0.137 29.532 29.700 -0.052 0.000 0.755 172 E HN 0.069 nan 8.360 nan 0.000 0.453 173 S N -0.202 115.401 115.700 -0.161 0.000 2.370 173 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 173 S C 2.088 176.585 174.600 -0.173 0.000 1.033 173 S CA 1.356 59.460 58.200 -0.161 0.000 1.011 173 S CB -0.514 62.615 63.200 -0.117 0.000 0.852 173 S HN 0.173 nan 8.310 nan 0.000 0.457 174 V N 2.110 121.842 119.914 -0.304 0.000 2.358 174 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 174 V C 2.726 178.739 176.094 -0.135 0.000 1.047 174 V CA 1.609 63.756 62.300 -0.256 0.000 1.035 174 V CB -1.312 30.265 31.823 -0.409 0.000 0.658 174 V HN 0.569 nan 8.190 nan 0.000 0.452 175 A N -0.077 122.663 122.820 -0.133 0.000 1.969 175 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 175 A C 2.386 179.936 177.584 -0.057 0.000 1.169 175 A CA 1.472 53.456 52.037 -0.088 0.000 0.635 175 A CB -0.434 18.517 19.000 -0.082 0.000 0.810 175 A HN 0.503 nan 8.150 nan 0.000 0.445 176 R N -0.596 119.871 120.500 -0.055 0.000 2.115 176 R HA 0.036 4.376 4.340 -0.000 0.000 0.226 176 R C 1.939 178.322 176.300 0.138 0.000 1.100 176 R CA 1.119 57.236 56.100 0.029 0.000 0.980 176 R CB -0.425 29.822 30.300 -0.087 0.000 0.875 176 R HN 0.499 nan 8.270 nan 0.000 0.445 177 L N 0.175 121.450 121.223 0.087 0.000 2.027 177 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 177 L C 2.572 179.409 176.870 -0.056 0.000 1.074 177 L CA 1.352 56.288 54.840 0.160 0.000 0.745 177 L CB -0.408 41.798 42.059 0.245 0.000 0.898 177 L HN 0.129 nan 8.230 nan 0.000 0.433 178 R N 0.105 120.536 120.500 -0.115 0.000 2.091 178 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 178 R C 2.417 178.586 176.300 -0.219 0.000 1.136 178 R CA 1.363 57.330 56.100 -0.220 0.000 0.959 178 R CB -0.568 29.649 30.300 -0.139 0.000 0.856 178 R HN 0.367 nan 8.270 nan 0.000 0.437 179 A N 1.495 124.243 122.820 -0.121 0.000 1.865 179 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 179 A C 2.432 179.935 177.584 -0.135 0.000 1.191 179 A CA 1.820 53.798 52.037 -0.098 0.000 0.623 179 A CB -0.777 18.207 19.000 -0.028 0.000 0.826 179 A HN 0.404 nan 8.150 nan 0.000 0.444 180 A N -0.429 122.324 122.820 -0.112 0.000 1.865 180 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 180 A C 2.254 179.727 177.584 -0.185 0.000 1.191 180 A CA 1.947 53.908 52.037 -0.128 0.000 0.623 180 A CB -0.644 18.370 19.000 0.024 0.000 0.826 180 A HN 0.566 nan 8.150 nan 0.000 0.444 181 R N -0.306 119.908 120.500 -0.476 0.000 2.133 181 R HA -0.234 4.106 4.340 -0.000 0.000 0.245 181 R C 1.352 177.395 176.300 -0.428 0.000 1.137 181 R CA 2.266 57.858 56.100 -0.846 0.000 0.947 181 R CB -0.504 28.819 30.300 -1.628 0.000 0.865 181 R HN 0.506 nan 8.270 nan 0.000 0.437 182 D N -0.417 119.791 120.400 -0.321 0.000 2.264 182 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 182 D C 1.217 177.436 176.300 -0.136 0.000 0.966 182 D CA 1.193 55.072 54.000 -0.201 0.000 0.864 182 D CB 0.018 40.722 40.800 -0.160 0.000 0.933 182 D HN 0.419 nan 8.370 nan 0.000 0.499 183 A N -0.244 122.497 122.820 -0.131 0.000 2.251 183 A HA 0.457 4.777 4.320 -0.000 0.000 0.209 183 A C 1.585 179.132 177.584 -0.062 0.000 1.187 183 A CA 0.767 52.748 52.037 -0.093 0.000 0.823 183 A CB -0.026 18.909 19.000 -0.109 0.000 0.846 183 A HN 0.211 nan 8.150 nan 0.000 0.486 184 G N -1.974 106.790 108.800 -0.061 0.000 2.135 184 G HA2 0.186 4.145 3.960 -0.000 0.000 0.183 184 G HA3 0.186 4.145 3.960 -0.000 0.000 0.183 184 G C 0.260 175.199 174.900 0.066 0.000 1.004 184 G CA 0.078 45.175 45.100 -0.005 0.000 0.677 184 G HN 1.451 nan 8.290 nan 0.000 0.512 185 A N -0.187 122.707 122.820 0.124 0.000 2.340 185 A HA 0.652 4.972 4.320 -0.000 0.000 0.268 185 A C 1.059 178.930 177.584 0.477 0.000 1.100 185 A CA 0.419 52.605 52.037 0.248 0.000 0.803 185 A CB 0.505 19.686 19.000 0.302 0.000 1.043 185 A HN 0.171 nan 8.150 nan 0.000 0.488 186 D N 0.069 120.623 120.400 0.257 0.000 2.271 186 D HA 0.098 4.738 4.640 -0.000 0.000 0.206 186 D C -0.036 176.173 176.300 -0.151 0.000 0.967 186 D CA 1.308 55.413 54.000 0.174 0.000 0.867 186 D CB 0.374 41.190 40.800 0.028 0.000 0.960 186 D HN 0.256 nan 8.370 nan 0.000 0.509 187 V N 0.397 120.098 119.914 -0.355 0.000 2.760 187 V HA 0.523 4.643 4.120 -0.000 0.000 0.309 187 V C 0.431 175.930 176.094 -0.992 0.000 1.077 187 V CA -1.227 60.600 62.300 -0.787 0.000 0.910 187 V CB 1.930 33.530 31.823 -0.372 0.000 1.008 187 V HN 0.015 nan 8.190 nan 0.000 0.424 188 G N 1.999 109.974 108.800 -1.374 0.000 2.444 188 G HA2 0.562 4.522 3.960 -0.000 0.000 0.268 188 G HA3 0.562 4.522 3.960 -0.000 0.000 0.268 188 G C -0.964 173.905 174.900 -0.053 0.000 1.203 188 G CA -0.192 44.583 45.100 -0.541 0.000 0.835 188 G HN 0.780 nan 8.290 nan 0.000 0.543 189 F N 3.651 123.566 119.950 -0.058 0.000 3.090 189 F HA 0.318 4.845 4.527 -0.000 0.000 0.381 189 F C -0.643 175.147 175.800 -0.016 0.000 1.231 189 F CA -1.075 56.886 58.000 -0.065 0.000 1.177 189 F CB 0.893 39.821 39.000 -0.121 0.000 1.598 189 F HN 0.264 nan 8.300 nan 0.000 0.589 190 L N 5.658 127.105 121.223 0.373 0.000 2.334 190 L HA 0.206 4.546 4.340 -0.000 0.000 0.286 190 L C 0.073 177.082 176.870 0.231 0.000 1.108 190 L CA -0.118 54.855 54.840 0.222 0.000 0.875 190 L CB 0.421 42.613 42.059 0.221 0.000 1.246 190 L HN 0.649 nan 8.230 nan 0.000 0.439 191 E N 4.150 124.377 120.200 0.046 0.000 2.376 191 E HA 0.277 4.627 4.350 -0.000 0.000 0.266 191 E C 0.771 177.408 176.600 0.062 0.000 1.009 191 E CA 0.698 57.119 56.400 0.035 0.000 0.902 191 E CB 0.642 30.209 29.700 -0.221 0.000 0.972 191 E HN 0.728 nan 8.360 nan 0.000 0.439 192 G N 4.625 113.476 108.800 0.085 0.000 2.256 192 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.272 192 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.272 192 G C 0.144 175.083 174.900 0.065 0.000 1.076 192 G CA 0.041 45.173 45.100 0.054 0.000 0.882 192 G HN 0.608 nan 8.290 nan 0.000 0.497 193 I N 0.272 120.890 120.570 0.081 0.000 2.826 193 I HA 0.038 4.208 4.170 -0.000 0.000 0.295 193 I C 1.797 177.951 176.117 0.061 0.000 1.213 193 I CA 1.163 62.521 61.300 0.098 0.000 1.436 193 I CB 0.760 38.840 38.000 0.132 0.000 1.348 193 I HN 0.200 nan 8.210 nan 0.000 0.570 194 T N 3.557 118.143 114.554 0.054 0.000 3.044 194 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 194 T C 0.130 174.841 174.700 0.018 0.000 1.081 194 T CA 0.385 62.502 62.100 0.030 0.000 1.040 194 T CB -0.014 68.869 68.868 0.025 0.000 0.962 194 T HN 0.800 nan 8.240 nan 0.000 0.506 195 S N -0.619 115.094 115.700 0.022 0.000 2.587 195 S HA 0.453 4.923 4.470 -0.000 0.000 0.269 195 S C 0.405 175.024 174.600 0.031 0.000 1.154 195 S CA -1.137 57.072 58.200 0.015 0.000 0.824 195 S CB 1.595 64.791 63.200 -0.006 0.000 1.118 195 S HN -0.027 nan 8.310 nan 0.000 0.462 196 R N 0.833 121.351 120.500 0.030 0.000 2.083 196 R HA -0.081 4.259 4.340 -0.000 0.000 0.237 196 R C 2.555 178.874 176.300 0.031 0.000 1.137 196 R CA 1.992 58.119 56.100 0.045 0.000 0.951 196 R CB -1.467 28.852 30.300 0.032 0.000 0.851 196 R HN 0.946 nan 8.270 nan 0.000 0.434 197 E N 1.828 122.030 120.200 0.003 0.000 2.085 197 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 197 E C 1.784 178.359 176.600 -0.042 0.000 0.994 197 E CA 1.639 58.026 56.400 -0.022 0.000 0.801 197 E CB -0.588 29.091 29.700 -0.034 0.000 0.743 197 E HN 0.481 nan 8.360 nan 0.000 0.453 198 M N 0.057 119.627 119.600 -0.049 0.000 2.067 198 M HA -0.024 4.456 4.480 -0.000 0.000 0.260 198 M C 2.696 179.008 176.300 0.021 0.000 1.069 198 M CA 2.200 57.451 55.300 -0.081 0.000 1.117 198 M CB -0.203 32.353 32.600 -0.074 0.000 1.334 198 M HN 0.395 nan 8.290 nan 0.000 0.407 199 A N 0.758 123.635 122.820 0.095 0.000 1.903 199 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 199 A C 2.081 179.672 177.584 0.013 0.000 1.191 199 A CA 2.379 54.520 52.037 0.173 0.000 0.638 199 A CB -0.856 18.340 19.000 0.327 0.000 0.823 199 A HN 0.652 nan 8.150 nan 0.000 0.451 200 R N -1.469 119.024 120.500 -0.012 0.000 2.081 200 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 200 R C 2.518 178.796 176.300 -0.037 0.000 1.131 200 R CA 1.575 57.640 56.100 -0.058 0.000 0.960 200 R CB -0.288 29.992 30.300 -0.034 0.000 0.856 200 R HN 0.637 nan 8.270 nan 0.000 0.436 201 Q N 0.554 120.350 119.800 -0.007 0.000 2.096 201 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 201 Q C 1.916 177.991 176.000 0.124 0.000 0.982 201 Q CA 1.888 57.711 55.803 0.034 0.000 0.850 201 Q CB -0.068 28.648 28.738 -0.037 0.000 0.901 201 Q HN 0.223 nan 8.270 nan 0.000 0.422 202 V N -0.011 119.998 119.914 0.158 0.000 2.343 202 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 202 V C 2.246 178.382 176.094 0.069 0.000 1.051 202 V CA 1.716 64.129 62.300 0.189 0.000 1.036 202 V CB -0.692 31.256 31.823 0.209 0.000 0.654 202 V HN 0.316 nan 8.190 nan 0.000 0.451 203 I N -0.254 120.283 120.570 -0.055 0.000 2.208 203 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 203 I C 2.766 178.867 176.117 -0.026 0.000 1.097 203 I CA 1.885 63.111 61.300 -0.122 0.000 1.363 203 I CB -0.232 37.596 38.000 -0.286 0.000 1.051 203 I HN 0.360 nan 8.210 nan 0.000 0.413 204 Q N 0.303 120.101 119.800 -0.003 0.000 2.096 204 Q HA -0.211 4.129 4.340 -0.000 0.000 0.197 204 Q C 1.624 177.651 176.000 0.046 0.000 0.964 204 Q CA 1.588 57.402 55.803 0.019 0.000 0.838 204 Q CB 0.119 28.867 28.738 0.016 0.000 0.906 204 Q HN 0.413 nan 8.270 nan 0.000 0.444 205 D N 0.221 120.665 120.400 0.074 0.000 2.218 205 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 205 D C 0.740 177.081 176.300 0.068 0.000 0.976 205 D CA 1.026 55.072 54.000 0.077 0.000 0.853 205 D CB 0.202 41.070 40.800 0.113 0.000 0.939 205 D HN 0.215 nan 8.370 nan 0.000 0.481 206 L N -0.115 121.168 121.223 0.100 0.000 3.066 206 L HA 0.384 4.724 4.340 -0.000 0.000 0.265 206 L C 0.265 177.239 176.870 0.172 0.000 1.232 206 L CA -0.523 54.412 54.840 0.158 0.000 1.031 206 L CB 0.390 42.629 42.059 0.300 0.000 1.379 206 L HN -0.147 nan 8.230 nan 0.000 0.563 207 A N 0.022 122.900 122.820 0.096 0.000 2.603 207 A HA 0.316 4.636 4.320 -0.000 0.000 0.235 207 A C 1.569 179.214 177.584 0.103 0.000 1.035 207 A CA 0.982 53.064 52.037 0.074 0.000 0.755 207 A CB -0.311 18.713 19.000 0.039 0.000 0.954 207 A HN 0.757 nan 8.150 nan 0.000 0.511 208 G N -0.099 108.760 108.800 0.098 0.000 2.162 208 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 208 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 208 G C -0.174 174.852 174.900 0.210 0.000 0.976 208 G CA 0.760 45.928 45.100 0.112 0.000 0.655 208 G HN 1.637 nan 8.290 nan 0.000 0.533 209 W N 1.556 122.855 121.300 -0.001 0.000 2.600 209 W HA 0.662 5.322 4.660 0.000 0.000 0.325 209 W C -2.478 174.048 176.519 0.012 0.000 1.034 209 W CA -2.938 54.410 57.345 0.005 0.000 1.226 209 W CB 1.510 30.973 29.460 0.006 0.000 1.379 209 W HN -0.009 nan 8.180 nan 0.000 0.466 210 P HA 0.191 nan 4.420 nan 0.000 0.271 210 P C -0.778 176.263 177.300 -0.431 0.000 1.216 210 P CA 0.200 63.132 63.100 -0.280 0.000 0.771 210 P CB 0.659 32.213 31.700 -0.244 0.000 0.864 211 L N 3.234 124.350 121.223 -0.177 0.000 2.334 211 L HA 0.523 4.863 4.340 -0.000 0.000 0.276 211 L C 0.118 177.048 176.870 0.100 0.000 1.014 211 L CA -1.048 53.758 54.840 -0.056 0.000 0.815 211 L CB 1.724 43.821 42.059 0.063 0.000 1.268 211 L HN 0.292 nan 8.230 nan 0.000 0.428 212 L N 3.970 125.161 121.223 -0.053 0.000 2.282 212 L HA 0.449 4.789 4.340 -0.000 0.000 0.288 212 L C -0.711 175.888 176.870 -0.452 0.000 1.033 212 L CA -0.416 54.251 54.840 -0.289 0.000 0.807 212 L CB 1.361 43.110 42.059 -0.515 0.000 1.209 212 L HN 0.542 nan 8.230 nan 0.000 0.423 213 L N 5.111 125.853 121.223 -0.802 0.000 2.290 213 L HA 0.294 4.634 4.340 -0.000 0.000 0.284 213 L C -0.480 175.921 176.870 -0.782 0.000 1.078 213 L CA -0.305 53.925 54.840 -1.015 0.000 0.815 213 L CB 1.109 42.315 42.059 -1.422 0.000 1.162 213 L HN 0.724 nan 8.230 nan 0.000 0.435 214 N N 5.536 123.865 118.700 -0.618 0.000 2.462 214 N HA 0.177 4.917 4.740 -0.000 0.000 0.242 214 N C -0.537 174.784 175.510 -0.314 0.000 1.010 214 N CA -0.354 52.389 53.050 -0.512 0.000 0.939 214 N CB 0.789 39.102 38.487 -0.291 0.000 1.127 214 N HN 0.422 nan 8.380 nan 0.000 0.509 215 M N 5.116 124.510 119.600 -0.343 0.000 3.307 215 M HA 0.281 4.761 4.480 -0.000 0.000 0.222 215 M C -1.411 174.894 176.300 0.008 0.000 1.243 215 M CA -1.005 54.198 55.300 -0.162 0.000 1.270 215 M CB -0.216 32.272 32.600 -0.186 0.000 1.187 215 M HN 0.160 nan 8.290 nan 0.000 0.598 216 V N 2.491 122.395 119.914 -0.016 0.000 2.408 216 V HA 0.234 4.354 4.120 -0.000 0.000 0.267 216 V C 0.571 176.613 176.094 -0.087 0.000 1.047 216 V CA -0.711 61.585 62.300 -0.006 0.000 0.937 216 V CB 0.359 32.166 31.823 -0.028 0.000 0.999 216 V HN 0.549 nan 8.190 nan 0.000 0.472 217 E N 2.810 122.916 120.200 -0.156 0.000 2.371 217 E HA 0.391 4.741 4.350 -0.000 0.000 0.257 217 E C 0.220 176.563 176.600 -0.427 0.000 1.134 217 E CA -0.419 55.767 56.400 -0.356 0.000 0.919 217 E CB 0.171 29.515 29.700 -0.593 0.000 1.025 217 E HN 0.904 nan 8.360 nan 0.000 0.438 218 H N -1.740 117.310 119.070 -0.033 0.000 2.992 218 H HA -0.170 4.386 4.556 0.000 0.000 0.266 218 H C 0.276 175.574 175.328 -0.050 0.000 1.200 218 H CA 0.217 56.239 56.048 -0.043 0.000 1.135 218 H CB -1.589 28.141 29.762 -0.052 0.000 1.282 218 H HN 0.573 nan 8.280 nan 0.000 0.351 219 G N -1.004 107.799 108.800 0.005 0.000 3.217 219 G HA2 0.635 4.595 3.960 -0.000 0.000 0.213 219 G HA3 0.635 4.595 3.960 -0.000 0.000 0.213 219 G C 0.972 175.873 174.900 0.002 0.000 1.294 219 G CA -0.342 44.755 45.100 -0.005 0.000 0.987 219 G HN 0.294 nan 8.290 nan 0.000 0.584 220 A N -0.955 121.866 122.820 0.002 0.000 2.019 220 A HA 0.201 4.521 4.320 -0.000 0.000 0.219 220 A C 1.659 179.248 177.584 0.009 0.000 1.164 220 A CA 2.083 54.125 52.037 0.009 0.000 0.644 220 A CB -0.762 18.246 19.000 0.013 0.000 0.805 220 A HN 1.077 nan 8.150 nan 0.000 0.449 221 T N 0.945 115.499 114.554 0.000 0.000 2.806 221 T HA 0.494 4.844 4.350 -0.000 0.000 0.290 221 T C -2.444 172.251 174.700 -0.008 0.000 0.966 221 T CA -2.223 59.876 62.100 -0.001 0.000 1.060 221 T CB 1.132 69.996 68.868 -0.007 0.000 0.927 221 T HN 0.142 nan 8.240 nan 0.000 0.485 222 P HA 0.217 nan 4.420 nan 0.000 0.272 222 P C -0.538 176.761 177.300 -0.001 0.000 1.240 222 P CA -0.482 62.621 63.100 0.005 0.000 0.791 222 P CB 0.438 32.148 31.700 0.016 0.000 0.978 223 S N 0.790 116.491 115.700 0.001 0.000 2.405 223 S HA 0.309 4.779 4.470 -0.000 0.000 0.291 223 S C 0.336 174.953 174.600 0.029 0.000 1.137 223 S CA -0.174 58.029 58.200 0.005 0.000 1.061 223 S CB -0.977 62.219 63.200 -0.006 0.000 1.001 223 S HN 0.236 nan 8.310 nan 0.000 0.507 224 I N 3.508 124.104 120.570 0.043 0.000 2.411 224 I HA 0.206 4.376 4.170 -0.000 0.000 0.284 224 I C 0.584 176.766 176.117 0.108 0.000 1.012 224 I CA -0.417 60.917 61.300 0.058 0.000 1.119 224 I CB 1.666 39.691 38.000 0.041 0.000 1.261 224 I HN 0.566 nan 8.210 nan 0.000 0.448 225 S N 4.790 120.553 115.700 0.104 0.000 2.584 225 S HA 0.291 4.761 4.470 -0.000 0.000 0.270 225 S C 1.510 176.224 174.600 0.190 0.000 1.346 225 S CA 0.025 58.312 58.200 0.145 0.000 1.018 225 S CB 1.533 64.780 63.200 0.078 0.000 0.899 225 S HN 0.736 nan 8.310 nan 0.000 0.542 226 A N 2.955 125.964 122.820 0.314 0.000 1.896 226 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 226 A C 2.511 180.113 177.584 0.030 0.000 1.206 226 A CA 2.759 55.007 52.037 0.352 0.000 0.647 226 A CB -1.906 17.359 19.000 0.442 0.000 0.828 226 A HN 1.581 nan 8.150 nan 0.000 0.455 227 A N -0.753 122.075 122.820 0.014 0.000 1.883 227 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 227 A C 2.096 179.610 177.584 -0.115 0.000 1.186 227 A CA 2.109 54.099 52.037 -0.077 0.000 0.624 227 A CB -0.556 18.430 19.000 -0.023 0.000 0.822 227 A HN 0.756 nan 8.150 nan 0.000 0.444 228 E N -0.465 119.711 120.200 -0.039 0.000 2.112 228 E HA 0.040 4.390 4.350 -0.000 0.000 0.190 228 E C 2.092 178.696 176.600 0.006 0.000 0.979 228 E CA 0.816 57.207 56.400 -0.015 0.000 0.814 228 E CB -0.274 29.441 29.700 0.025 0.000 0.762 228 E HN 0.491 nan 8.360 nan 0.000 0.460 229 A N 1.809 124.654 122.820 0.041 0.000 1.892 229 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 229 A C 2.160 179.759 177.584 0.024 0.000 1.188 229 A CA 1.944 54.101 52.037 0.199 0.000 0.631 229 A CB -0.577 18.556 19.000 0.222 0.000 0.822 229 A HN 0.234 nan 8.150 nan 0.000 0.447 230 K N -0.789 119.274 120.400 -0.561 0.000 2.097 230 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 230 K C 2.154 178.604 176.600 -0.250 0.000 1.049 230 K CA 1.660 57.517 56.287 -0.716 0.000 0.933 230 K CB -0.199 31.628 32.500 -1.121 0.000 0.717 230 K HN 0.533 nan 8.250 nan 0.000 0.442 231 E N 0.535 120.632 120.200 -0.171 0.000 2.274 231 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 231 E C 1.706 178.269 176.600 -0.061 0.000 0.996 231 E CA 1.193 57.538 56.400 -0.093 0.000 0.840 231 E CB -0.497 29.162 29.700 -0.068 0.000 0.772 231 E HN 0.407 nan 8.360 nan 0.000 0.491 232 M N -1.394 118.180 119.600 -0.044 0.000 2.236 232 M HA 0.209 4.689 4.480 -0.000 0.000 0.266 232 M C 1.850 178.070 176.300 -0.132 0.000 1.070 232 M CA 1.426 56.687 55.300 -0.066 0.000 1.137 232 M CB 0.744 33.327 32.600 -0.029 0.000 1.378 232 M HN 0.537 nan 8.290 nan 0.000 0.426 233 G N -0.318 108.416 108.800 -0.111 0.000 2.151 233 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.140 233 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.140 233 G C -0.182 174.665 174.900 -0.089 0.000 1.020 233 G CA -0.861 44.182 45.100 -0.096 0.000 0.688 233 G HN 0.260 nan 8.290 nan 0.000 0.500 234 F N 0.585 120.583 119.950 0.080 0.000 2.506 234 F HA 0.461 4.988 4.527 -0.000 0.000 0.351 234 F C 1.912 177.883 175.800 0.286 0.000 1.136 234 F CA -0.081 58.006 58.000 0.145 0.000 1.298 234 F CB 0.708 39.814 39.000 0.177 0.000 1.145 234 F HN -0.098 nan 8.300 nan 0.000 0.593 235 R N 1.827 122.517 120.500 0.316 0.000 2.279 235 R HA 0.352 4.692 4.340 -0.000 0.000 0.195 235 R C -0.265 175.927 176.300 -0.179 0.000 0.905 235 R CA 0.416 56.610 56.100 0.157 0.000 1.044 235 R CB 0.312 30.630 30.300 0.031 0.000 1.056 235 R HN 0.494 nan 8.270 nan 0.000 0.535 236 I N 0.960 121.383 120.570 -0.245 0.000 2.582 236 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 236 I C -0.747 175.051 176.117 -0.531 0.000 1.066 236 I CA -0.821 60.170 61.300 -0.515 0.000 1.053 236 I CB 2.915 40.688 38.000 -0.378 0.000 1.241 236 I HN -0.184 nan 8.210 nan 0.000 0.421 237 I N 7.049 127.220 120.570 -0.664 0.000 2.433 237 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 237 I C -0.752 174.913 176.117 -0.752 0.000 1.001 237 I CA -0.751 60.178 61.300 -0.618 0.000 1.119 237 I CB 1.497 39.286 38.000 -0.351 0.000 1.289 237 I HN 0.549 nan 8.210 nan 0.000 0.438 238 I N 3.724 123.761 120.570 -0.890 0.000 2.530 238 I HA 0.521 4.691 4.170 -0.000 0.000 0.297 238 I C -1.673 173.899 176.117 -0.909 0.000 1.011 238 I CA -0.526 60.295 61.300 -0.798 0.000 1.107 238 I CB 1.951 39.398 38.000 -0.921 0.000 1.285 238 I HN 0.417 nan 8.210 nan 0.000 0.436 239 F N 4.674 124.547 119.950 -0.129 0.000 2.453 239 F HA 0.459 4.986 4.527 0.000 0.000 0.358 239 F C -2.014 173.834 175.800 0.080 0.000 1.129 239 F CA -1.782 56.195 58.000 -0.039 0.000 1.200 239 F CB 0.948 39.925 39.000 -0.039 0.000 1.431 239 F HN 0.337 nan 8.300 nan 0.000 0.503 240 P HA -0.155 nan 4.420 nan 0.000 0.221 240 P C 1.100 178.609 177.300 0.349 0.000 1.145 240 P CA 1.406 64.741 63.100 0.391 0.000 0.795 240 P CB 0.030 31.977 31.700 0.411 0.000 0.775 241 F N -1.454 118.585 119.950 0.149 0.000 2.678 241 F HA 0.372 4.899 4.527 -0.000 0.000 0.305 241 F C 2.066 177.920 175.800 0.090 0.000 1.090 241 F CA -0.162 57.900 58.000 0.103 0.000 1.272 241 F CB -0.577 38.471 39.000 0.080 0.000 1.060 241 F HN -0.173 nan 8.300 nan 0.000 0.576 242 A N 0.545 123.479 122.820 0.190 0.000 1.909 242 A HA -0.319 4.001 4.320 -0.000 0.000 0.221 242 A C 2.374 179.987 177.584 0.047 0.000 1.223 242 A CA 2.720 54.808 52.037 0.086 0.000 0.658 242 A CB -1.181 17.837 19.000 0.030 0.000 0.831 242 A HN 0.344 nan 8.150 nan 0.000 0.462 243 A N -1.797 121.048 122.820 0.042 0.000 1.956 243 A HA 0.384 4.704 4.320 -0.000 0.000 0.212 243 A C 2.136 179.734 177.584 0.023 0.000 1.188 243 A CA 0.808 52.890 52.037 0.074 0.000 0.675 243 A CB -0.360 18.727 19.000 0.146 0.000 0.845 243 A HN 0.407 nan 8.150 nan 0.000 0.455 244 L N -0.238 120.875 121.223 -0.183 0.000 1.994 244 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 244 L C 2.851 179.518 176.870 -0.339 0.000 1.071 244 L CA 1.341 55.883 54.840 -0.498 0.000 0.745 244 L CB -0.778 40.659 42.059 -1.036 0.000 0.892 244 L HN 0.472 nan 8.230 nan 0.000 0.431 245 G N -0.020 108.647 108.800 -0.222 0.000 2.586 245 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 245 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 245 G C -0.699 174.248 174.900 0.077 0.000 1.216 245 G CA 1.050 46.239 45.100 0.149 0.000 0.786 245 G HN 0.288 nan 8.290 nan 0.000 0.583 246 P HA -0.216 nan 4.420 nan 0.000 0.212 246 P C 2.304 179.625 177.300 0.036 0.000 1.174 246 P CA 2.564 65.695 63.100 0.052 0.000 0.934 246 P CB -0.409 31.321 31.700 0.051 0.000 0.791 247 A N -1.098 121.741 122.820 0.032 0.000 1.958 247 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 247 A C 2.365 179.957 177.584 0.015 0.000 1.178 247 A CA 2.287 54.348 52.037 0.040 0.000 0.642 247 A CB -1.734 17.324 19.000 0.096 0.000 0.816 247 A HN 0.109 nan 8.150 nan 0.000 0.453 248 V N -0.764 119.144 119.914 -0.010 0.000 2.488 248 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 248 V C 2.988 179.094 176.094 0.019 0.000 1.046 248 V CA 1.598 63.895 62.300 -0.004 0.000 1.053 248 V CB -1.017 30.798 31.823 -0.015 0.000 0.679 248 V HN 0.625 nan 8.190 nan 0.000 0.458 249 A N 0.344 123.183 122.820 0.032 0.000 1.858 249 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 249 A C 2.440 180.038 177.584 0.024 0.000 1.190 249 A CA 2.072 54.129 52.037 0.033 0.000 0.617 249 A CB -0.906 18.120 19.000 0.043 0.000 0.827 249 A HN 0.546 nan 8.150 nan 0.000 0.443 250 A N -0.815 122.020 122.820 0.025 0.000 1.940 250 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 250 A C 2.272 179.866 177.584 0.016 0.000 1.176 250 A CA 1.943 53.992 52.037 0.020 0.000 0.631 250 A CB -0.510 18.503 19.000 0.022 0.000 0.814 250 A HN 0.549 nan 8.150 nan 0.000 0.446 251 M N -1.654 117.956 119.600 0.017 0.000 2.236 251 M HA -0.055 4.425 4.480 -0.000 0.000 0.266 251 M C 2.368 178.675 176.300 0.012 0.000 1.070 251 M CA 1.521 56.829 55.300 0.014 0.000 1.137 251 M CB -0.244 32.365 32.600 0.016 0.000 1.378 251 M HN 0.588 nan 8.290 nan 0.000 0.426 252 R N 1.626 122.134 120.500 0.013 0.000 2.080 252 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 252 R C 1.873 178.179 176.300 0.010 0.000 1.137 252 R CA 2.308 58.415 56.100 0.012 0.000 0.943 252 R CB -0.434 29.875 30.300 0.014 0.000 0.846 252 R HN 0.544 nan 8.270 nan 0.000 0.431 253 E N -0.278 119.929 120.200 0.011 0.000 2.347 253 E HA -0.088 4.261 4.350 -0.000 0.000 0.196 253 E C 1.611 178.215 176.600 0.007 0.000 1.008 253 E CA 0.903 57.308 56.400 0.009 0.000 0.852 253 E CB -0.004 29.702 29.700 0.010 0.000 0.783 253 E HN 0.483 nan 8.360 nan 0.000 0.505 254 A N 1.077 123.901 122.820 0.007 0.000 1.975 254 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 254 A C 2.202 179.788 177.584 0.004 0.000 1.170 254 A CA 0.673 52.713 52.037 0.004 0.000 0.656 254 A CB -0.103 18.899 19.000 0.004 0.000 0.821 254 A HN 0.140 nan 8.150 nan 0.000 0.449 255 M N -0.281 119.322 119.600 0.005 0.000 2.160 255 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 255 M C 1.874 178.177 176.300 0.005 0.000 1.073 255 M CA 1.356 56.659 55.300 0.005 0.000 1.142 255 M CB -1.397 31.207 32.600 0.007 0.000 1.358 255 M HN 0.507 nan 8.290 nan 0.000 0.422 256 E N 0.163 120.366 120.200 0.005 0.000 2.085 256 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 256 E C 2.087 178.689 176.600 0.004 0.000 0.994 256 E CA 1.140 57.542 56.400 0.005 0.000 0.801 256 E CB -0.144 29.559 29.700 0.005 0.000 0.743 256 E HN 0.376 nan 8.360 nan 0.000 0.453 257 K N 0.806 121.208 120.400 0.003 0.000 2.057 257 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 257 K C 2.221 178.822 176.600 0.001 0.000 1.049 257 K CA 0.870 57.158 56.287 0.002 0.000 0.931 257 K CB -0.075 32.426 32.500 0.002 0.000 0.714 257 K HN 0.072 nan 8.250 nan 0.000 0.440 258 L N 1.663 122.887 121.223 0.001 0.000 2.093 258 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 258 L C 2.144 179.015 176.870 0.001 0.000 1.085 258 L CA 1.776 56.617 54.840 0.001 0.000 0.755 258 L CB -0.488 41.571 42.059 0.001 0.000 0.904 258 L HN 0.006 nan 8.230 nan 0.000 0.435 259 K N -0.346 120.056 120.400 0.002 0.000 2.063 259 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 259 K C 2.322 178.923 176.600 0.002 0.000 1.048 259 K CA 1.684 57.972 56.287 0.002 0.000 0.928 259 K CB -0.135 32.367 32.500 0.003 0.000 0.713 259 K HN 0.277 nan 8.250 nan 0.000 0.442 260 R N -0.125 120.376 120.500 0.002 0.000 2.066 260 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 260 R C 1.506 177.807 176.300 0.001 0.000 1.131 260 R CA 1.741 57.842 56.100 0.001 0.000 0.955 260 R CB -0.141 30.160 30.300 0.001 0.000 0.851 260 R HN 0.287 nan 8.270 nan 0.000 0.432 261 D N -1.602 118.798 120.400 0.001 0.000 2.240 261 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 261 D C 1.036 177.336 176.300 -0.000 0.000 0.963 261 D CA 1.143 55.144 54.000 0.000 0.000 0.863 261 D CB 0.182 40.982 40.800 -0.000 0.000 0.973 261 D HN 0.416 nan 8.370 nan 0.000 0.501 262 G N 0.722 109.522 108.800 0.000 0.000 2.160 262 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 262 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 262 G C -0.045 174.854 174.900 -0.001 0.000 1.022 262 G CA 0.279 45.379 45.100 -0.000 0.000 0.741 262 G HN 0.316 nan 8.290 nan 0.000 0.508 263 I N -1.047 119.522 120.570 -0.001 0.000 2.715 263 I HA 0.520 4.690 4.170 -0.000 0.000 0.288 263 I C -1.924 174.191 176.117 -0.003 0.000 1.371 263 I CA -2.150 59.148 61.300 -0.003 0.000 1.056 263 I CB 1.759 39.757 38.000 -0.003 0.000 1.339 263 I HN -0.113 nan 8.210 nan 0.000 0.425 264 P HA 0.062 nan 4.420 nan 0.000 0.216 264 P C 0.693 177.990 177.300 -0.005 0.000 1.153 264 P CA 1.757 64.854 63.100 -0.005 0.000 0.858 264 P CB 0.090 31.785 31.700 -0.008 0.000 0.789 265 G N -0.702 108.094 108.800 -0.006 0.000 2.314 265 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.292 265 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.292 265 G C -0.157 174.738 174.900 -0.007 0.000 1.059 265 G CA -0.214 44.883 45.100 -0.006 0.000 0.982 265 G HN 0.257 nan 8.290 nan 0.000 0.505 266 L N -0.399 120.818 121.223 -0.010 0.000 2.418 266 L HA 0.390 4.730 4.340 -0.000 0.000 0.265 266 L C 0.996 177.859 176.870 -0.013 0.000 1.143 266 L CA -0.696 54.137 54.840 -0.012 0.000 0.809 266 L CB 0.672 42.721 42.059 -0.017 0.000 1.124 266 L HN 0.415 nan 8.230 nan 0.000 0.456 267 D N 1.068 121.461 120.400 -0.012 0.000 2.449 267 D HA 0.102 4.742 4.640 -0.000 0.000 0.236 267 D C 1.197 177.488 176.300 -0.016 0.000 1.149 267 D CA 0.674 54.667 54.000 -0.012 0.000 0.878 267 D CB 1.164 41.958 40.800 -0.010 0.000 1.198 267 D HN 0.569 nan 8.370 nan 0.000 0.446 268 K N 2.820 123.212 120.400 -0.013 0.000 2.097 268 K HA -0.301 4.019 4.320 -0.000 0.000 0.214 268 K C 1.891 178.479 176.600 -0.020 0.000 1.052 268 K CA 2.282 58.560 56.287 -0.015 0.000 0.932 268 K CB -1.177 31.317 32.500 -0.011 0.000 0.716 268 K HN 0.796 nan 8.250 nan 0.000 0.455 269 E N -0.660 119.528 120.200 -0.020 0.000 2.502 269 E HA 0.070 4.420 4.350 -0.000 0.000 0.194 269 E C 0.084 176.662 176.600 -0.036 0.000 1.062 269 E CA -0.198 56.187 56.400 -0.025 0.000 0.867 269 E CB -0.146 29.543 29.700 -0.018 0.000 0.888 269 E HN 0.664 nan 8.360 nan 0.000 0.510 270 M N 2.196 121.774 119.600 -0.037 0.000 3.237 270 M HA 0.059 4.539 4.480 -0.000 0.000 0.266 270 M C -0.477 175.781 176.300 -0.070 0.000 1.456 270 M CA 0.211 55.481 55.300 -0.049 0.000 1.593 270 M CB 0.245 32.822 32.600 -0.038 0.000 1.129 270 M HN -0.071 nan 8.290 nan 0.000 0.547 271 T N -1.827 112.669 114.554 -0.096 0.000 2.907 271 T HA 0.496 4.846 4.350 -0.000 0.000 0.292 271 T C -2.331 172.234 174.700 -0.225 0.000 1.043 271 T CA -1.903 60.122 62.100 -0.125 0.000 1.003 271 T CB 1.799 70.608 68.868 -0.097 0.000 1.084 271 T HN 0.068 nan 8.240 nan 0.000 0.483 272 P HA -0.117 nan 4.420 nan 0.000 0.216 272 P C 1.441 178.208 177.300 -0.889 0.000 1.150 272 P CA 1.100 63.790 63.100 -0.684 0.000 0.843 272 P CB 0.034 31.384 31.700 -0.584 0.000 0.787 273 Q N -1.465 118.104 119.800 -0.386 0.000 2.135 273 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 273 Q C 2.172 178.113 176.000 -0.097 0.000 0.981 273 Q CA 1.409 57.134 55.803 -0.129 0.000 0.856 273 Q CB -0.979 27.749 28.738 -0.017 0.000 0.902 273 Q HN 0.248 nan 8.270 nan 0.000 0.425 274 M N -0.048 119.471 119.600 -0.135 0.000 2.099 274 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 274 M C 1.960 178.211 176.300 -0.082 0.000 1.067 274 M CA 1.428 56.679 55.300 -0.081 0.000 1.124 274 M CB -0.499 32.055 32.600 -0.075 0.000 1.353 274 M HN 0.408 nan 8.290 nan 0.000 0.410 275 L N 0.744 121.859 121.223 -0.181 0.000 2.012 275 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 275 L C 2.096 178.996 176.870 0.049 0.000 1.073 275 L CA 2.060 56.825 54.840 -0.124 0.000 0.748 275 L CB -0.956 40.960 42.059 -0.239 0.000 0.891 275 L HN 0.337 nan 8.230 nan 0.000 0.431 276 F N -0.907 119.036 119.950 -0.011 0.000 2.102 276 F HA -0.249 4.278 4.527 0.000 0.000 0.298 276 F C 2.653 178.446 175.800 -0.011 0.000 1.105 276 F CA 0.635 58.628 58.000 -0.012 0.000 1.239 276 F CB -0.322 38.672 39.000 -0.010 0.000 0.991 276 F HN 0.010 nan 8.300 nan 0.000 0.474 277 R N 0.646 121.253 120.500 0.178 0.000 2.112 277 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 277 R C 2.099 178.438 176.300 0.065 0.000 1.137 277 R CA 1.557 57.710 56.100 0.089 0.000 0.944 277 R CB -1.098 29.231 30.300 0.049 0.000 0.857 277 R HN 0.090 nan 8.270 nan 0.000 0.435 278 V N -0.915 119.031 119.914 0.054 0.000 2.392 278 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 278 V C 1.454 177.572 176.094 0.041 0.000 1.059 278 V CA 1.585 63.907 62.300 0.036 0.000 1.051 278 V CB -0.229 31.605 31.823 0.019 0.000 0.658 278 V HN 0.499 nan 8.190 nan 0.000 0.455 279 C N 0.742 120.082 119.300 0.067 0.000 2.492 279 C HA 0.550 5.010 4.460 -0.000 0.000 0.317 279 C C 1.604 176.615 174.990 0.034 0.000 1.347 279 C CA -0.180 58.869 59.018 0.052 0.000 1.759 279 C CB -1.260 26.532 27.740 0.086 0.000 2.127 279 C HN 0.822 nan 8.230 nan 0.000 0.579 280 G N 1.553 110.372 108.800 0.032 0.000 2.246 280 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.273 280 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.273 280 G C 0.681 175.585 174.900 0.007 0.000 1.055 280 G CA 0.518 45.627 45.100 0.016 0.000 0.851 280 G HN 0.543 nan 8.290 nan 0.000 0.500 281 L N -0.150 121.086 121.223 0.021 0.000 2.079 281 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 281 L C 2.249 179.116 176.870 -0.005 0.000 1.081 281 L CA 2.996 57.835 54.840 -0.003 0.000 0.752 281 L CB -0.253 41.822 42.059 0.027 0.000 0.896 281 L HN 0.307 nan 8.230 nan 0.000 0.433 282 D N 0.186 120.592 120.400 0.009 0.000 2.097 282 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 282 D C 2.314 178.612 176.300 -0.003 0.000 0.989 282 D CA 1.695 55.698 54.000 0.005 0.000 0.827 282 D CB -0.408 40.399 40.800 0.011 0.000 0.966 282 D HN 0.619 nan 8.370 nan 0.000 0.456 283 E N 0.871 121.069 120.200 -0.003 0.000 2.118 283 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 283 E C 2.160 178.751 176.600 -0.015 0.000 0.992 283 E CA 1.527 57.922 56.400 -0.008 0.000 0.804 283 E CB -0.942 28.754 29.700 -0.007 0.000 0.741 283 E HN 0.188 nan 8.360 nan 0.000 0.458 284 S N -0.485 115.202 115.700 -0.022 0.000 2.402 284 S HA -0.003 4.467 4.470 -0.000 0.000 0.229 284 S C 2.166 176.746 174.600 -0.032 0.000 1.021 284 S CA 1.359 59.539 58.200 -0.033 0.000 0.974 284 S CB -0.201 62.970 63.200 -0.049 0.000 0.800 284 S HN 0.554 nan 8.310 nan 0.000 0.484 285 M N 0.560 120.143 119.600 -0.027 0.000 2.349 285 M HA -0.005 4.475 4.480 -0.000 0.000 0.266 285 M C 1.972 178.263 176.300 -0.016 0.000 1.076 285 M CA 1.051 56.337 55.300 -0.023 0.000 1.126 285 M CB -0.120 32.469 32.600 -0.018 0.000 1.392 285 M HN 0.133 nan 8.290 nan 0.000 0.440 286 K N -0.211 120.181 120.400 -0.013 0.000 2.025 286 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 286 K C 1.846 178.439 176.600 -0.012 0.000 1.049 286 K CA 1.151 57.431 56.287 -0.010 0.000 0.933 286 K CB -0.281 32.214 32.500 -0.007 0.000 0.714 286 K HN 0.089 nan 8.250 nan 0.000 0.438 287 V N 2.296 122.201 119.914 -0.015 0.000 2.250 287 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 287 V C 2.163 178.247 176.094 -0.017 0.000 1.060 287 V CA 2.146 64.436 62.300 -0.016 0.000 1.030 287 V CB -0.434 31.378 31.823 -0.019 0.000 0.643 287 V HN 0.451 nan 8.190 nan 0.000 0.445 288 D N -0.338 120.050 120.400 -0.020 0.000 2.117 288 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 288 D C 2.130 178.421 176.300 -0.016 0.000 0.987 288 D CA 1.654 55.642 54.000 -0.021 0.000 0.829 288 D CB 0.150 40.934 40.800 -0.026 0.000 0.961 288 D HN 0.441 nan 8.370 nan 0.000 0.460 289 A N 0.466 123.277 122.820 -0.014 0.000 1.929 289 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 289 A C 2.184 179.762 177.584 -0.010 0.000 1.176 289 A CA 0.962 52.992 52.037 -0.011 0.000 0.628 289 A CB -0.415 18.579 19.000 -0.009 0.000 0.816 289 A HN 0.264 nan 8.150 nan 0.000 0.444 290 Q N -0.405 119.389 119.800 -0.010 0.000 2.030 290 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 290 Q C 2.398 178.392 176.000 -0.009 0.000 0.986 290 Q CA 1.612 57.410 55.803 -0.008 0.000 0.843 290 Q CB -0.434 28.299 28.738 -0.008 0.000 0.904 290 Q HN 0.663 nan 8.270 nan 0.000 0.420 291 A N 0.320 123.134 122.820 -0.010 0.000 2.024 291 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 291 A C 1.031 178.609 177.584 -0.010 0.000 1.164 291 A CA 1.522 53.552 52.037 -0.011 0.000 0.643 291 A CB -0.291 18.701 19.000 -0.013 0.000 0.806 291 A HN 0.449 nan 8.150 nan 0.000 0.451 292 G N 0.000 108.794 108.800 -0.010 0.000 5.446 292 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 292 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 292 G CA 0.000 45.094 45.100 -0.009 0.000 0.502 292 G HN 0.000 nan 8.290 nan 0.000 0.925