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 2btv_1_Q DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.255 176.300 -0.076 0.000 1.140 1 M CA 0.000 55.271 55.300 -0.049 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.039 0.000 1.302 2 D N 0.713 121.058 120.400 -0.092 0.000 2.144 2 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 2 D C 1.713 177.895 176.300 -0.197 0.000 0.978 2 D CA 2.475 56.401 54.000 -0.124 0.000 0.833 2 D CB -0.540 40.191 40.800 -0.116 0.000 0.961 2 D HN 0.722 nan 8.370 nan 0.000 0.470 3 T N -0.198 114.221 114.554 -0.225 0.000 2.699 3 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 3 T C 2.244 176.787 174.700 -0.262 0.000 1.036 3 T CA 0.921 62.804 62.100 -0.362 0.000 1.147 3 T CB -0.705 68.050 68.868 -0.188 0.000 0.862 3 T HN 0.176 nan 8.240 nan 0.000 0.446 4 I N 2.050 122.542 120.570 -0.130 0.000 2.163 4 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 4 I C 3.240 179.308 176.117 -0.080 0.000 1.085 4 I CA 1.422 62.679 61.300 -0.071 0.000 1.347 4 I CB -0.696 37.279 38.000 -0.042 0.000 1.044 4 I HN 0.367 nan 8.210 nan 0.000 0.408 5 A N 0.657 123.416 122.820 -0.102 0.000 1.902 5 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 5 A C 2.554 180.074 177.584 -0.108 0.000 1.181 5 A CA 1.808 53.790 52.037 -0.092 0.000 0.623 5 A CB -0.874 18.069 19.000 -0.095 0.000 0.818 5 A HN 0.441 nan 8.150 nan 0.000 0.443 6 A N -0.124 122.581 122.820 -0.190 0.000 1.908 6 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 6 A C 2.258 179.794 177.584 -0.081 0.000 1.181 6 A CA 1.671 53.577 52.037 -0.218 0.000 0.627 6 A CB -0.472 18.187 19.000 -0.569 0.000 0.818 6 A HN 0.581 nan 8.150 nan 0.000 0.445 7 R N -0.677 119.785 120.500 -0.063 0.000 2.075 7 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 7 R C 2.552 178.872 176.300 0.033 0.000 1.140 7 R CA 1.300 57.443 56.100 0.071 0.000 0.928 7 R CB -0.657 29.692 30.300 0.081 0.000 0.834 7 R HN 0.477 nan 8.270 nan 0.000 0.429 8 A N 1.248 124.068 122.820 -0.001 0.000 1.986 8 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 8 A C 2.076 179.648 177.584 -0.019 0.000 1.171 8 A CA 1.304 53.332 52.037 -0.014 0.000 0.640 8 A CB -0.468 18.518 19.000 -0.022 0.000 0.811 8 A HN 0.250 nan 8.150 nan 0.000 0.451 9 L N -0.557 120.657 121.223 -0.015 0.000 2.007 9 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 9 L C 2.558 179.434 176.870 0.011 0.000 1.073 9 L CA 2.804 57.639 54.840 -0.008 0.000 0.744 9 L CB -1.169 40.883 42.059 -0.010 0.000 0.898 9 L HN 0.371 nan 8.230 nan 0.000 0.435 10 T N -0.706 113.870 114.554 0.037 0.000 2.653 10 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 10 T C 1.958 176.672 174.700 0.025 0.000 1.035 10 T CA 1.962 64.095 62.100 0.054 0.000 1.154 10 T CB -0.714 68.219 68.868 0.107 0.000 0.862 10 T HN 0.217 nan 8.240 nan 0.000 0.441 11 V N 1.507 121.428 119.914 0.012 0.000 2.255 11 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 11 V C 2.540 178.615 176.094 -0.031 0.000 1.051 11 V CA 2.009 64.299 62.300 -0.016 0.000 1.018 11 V CB -0.690 31.111 31.823 -0.038 0.000 0.641 11 V HN 0.476 nan 8.190 nan 0.000 0.445 12 M N -0.666 118.912 119.600 -0.035 0.000 2.065 12 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 12 M C 2.479 178.770 176.300 -0.016 0.000 1.069 12 M CA 1.950 57.228 55.300 -0.037 0.000 1.110 12 M CB -0.575 32.003 32.600 -0.037 0.000 1.328 12 M HN 0.218 nan 8.290 nan 0.000 0.405 13 R N 0.133 120.630 120.500 -0.005 0.000 2.127 13 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 13 R C 2.271 178.571 176.300 0.000 0.000 1.134 13 R CA 1.469 57.571 56.100 0.004 0.000 0.975 13 R CB -0.616 29.692 30.300 0.015 0.000 0.865 13 R HN 0.412 nan 8.270 nan 0.000 0.447 14 A N 0.763 123.581 122.820 -0.003 0.000 1.872 14 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 14 A C 2.400 179.976 177.584 -0.013 0.000 1.187 14 A CA 1.195 53.229 52.037 -0.006 0.000 0.614 14 A CB -0.683 18.313 19.000 -0.006 0.000 0.826 14 A HN 0.437 nan 8.150 nan 0.000 0.442 15 C N -0.572 118.717 119.300 -0.019 0.000 2.411 15 C HA 0.040 4.500 4.460 -0.000 0.000 0.279 15 C C 3.182 178.165 174.990 -0.012 0.000 1.288 15 C CA 0.637 59.642 59.018 -0.021 0.000 1.764 15 C CB -1.465 26.258 27.740 -0.029 0.000 1.974 15 C HN 0.684 nan 8.230 nan 0.000 0.498 16 A N 0.465 123.280 122.820 -0.008 0.000 2.019 16 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 16 A C 2.139 179.716 177.584 -0.011 0.000 1.164 16 A CA 2.178 54.210 52.037 -0.008 0.000 0.644 16 A CB -0.836 18.160 19.000 -0.005 0.000 0.805 16 A HN 0.581 nan 8.150 nan 0.000 0.449 17 T N 0.249 114.797 114.554 -0.010 0.000 2.881 17 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 17 T C 0.448 175.139 174.700 -0.014 0.000 1.068 17 T CA 0.624 62.717 62.100 -0.010 0.000 1.131 17 T CB -0.347 68.516 68.868 -0.009 0.000 0.871 17 T HN 0.194 nan 8.240 nan 0.000 0.479 18 L N 3.059 124.272 121.223 -0.017 0.000 2.388 18 L HA 0.234 4.574 4.340 -0.000 0.000 0.252 18 L C 0.994 177.849 176.870 -0.024 0.000 1.357 18 L CA 0.116 54.944 54.840 -0.020 0.000 1.214 18 L CB -1.022 41.023 42.059 -0.022 0.000 1.392 18 L HN 0.098 nan 8.230 nan 0.000 0.432 19 Q N 1.602 121.388 119.800 -0.023 0.000 1.944 19 Q HA 0.040 4.380 4.340 -0.000 0.000 0.734 19 Q C 0.061 176.043 176.000 -0.029 0.000 0.975 19 Q CA 0.871 56.658 55.803 -0.026 0.000 0.728 19 Q CB 0.211 28.936 28.738 -0.022 0.000 3.333 19 Q HN 0.452 nan 8.270 nan 0.000 0.236 20 E N -0.290 119.894 120.200 -0.027 0.000 2.129 20 E HA 0.576 4.926 4.350 -0.000 0.000 0.268 20 E C -1.433 175.154 176.600 -0.022 0.000 0.900 20 E CA -0.086 56.297 56.400 -0.027 0.000 0.755 20 E CB 1.106 30.789 29.700 -0.028 0.000 1.117 20 E HN 0.635 nan 8.360 nan 0.000 0.410 21 A N 4.681 127.488 122.820 -0.021 0.000 2.602 21 A HA -0.082 4.238 4.320 -0.000 0.000 0.257 21 A C 0.571 178.146 177.584 -0.015 0.000 0.973 21 A CA 1.400 53.427 52.037 -0.018 0.000 0.862 21 A CB -0.035 18.954 19.000 -0.017 0.000 0.855 21 A HN 0.917 nan 8.150 nan 0.000 0.492 22 R N -0.090 120.402 120.500 -0.013 0.000 2.544 22 R HA -0.038 4.302 4.340 -0.000 0.000 0.033 22 R C -0.859 175.435 176.300 -0.010 0.000 0.502 22 R CA 0.340 56.433 56.100 -0.011 0.000 0.799 22 R CB -0.971 29.323 30.300 -0.011 0.000 0.824 22 R HN 0.854 nan 8.270 nan 0.000 0.587 23 I N 0.097 120.660 120.570 -0.011 0.000 2.437 23 I HA 0.494 4.664 4.170 -0.000 0.000 0.298 23 I C 0.403 176.514 176.117 -0.010 0.000 0.984 23 I CA -1.388 59.906 61.300 -0.011 0.000 1.214 23 I CB 1.263 39.255 38.000 -0.012 0.000 1.365 23 I HN -0.154 nan 8.210 nan 0.000 0.469 24 V N 3.865 123.774 119.914 -0.009 0.000 2.313 24 V HA 0.495 4.615 4.120 -0.000 0.000 0.278 24 V C 0.052 176.141 176.094 -0.008 0.000 1.017 24 V CA -0.833 61.462 62.300 -0.008 0.000 0.823 24 V CB 0.803 32.621 31.823 -0.007 0.000 1.010 24 V HN 0.611 nan 8.190 nan 0.000 0.443 25 L N 2.924 124.142 121.223 -0.009 0.000 2.514 25 L HA 0.172 4.512 4.340 -0.000 0.000 0.280 25 L C 0.979 177.844 176.870 -0.008 0.000 1.223 25 L CA 0.861 55.695 54.840 -0.009 0.000 0.864 25 L CB -0.034 42.020 42.059 -0.009 0.000 1.118 25 L HN 0.987 nan 8.230 nan 0.000 0.494 26 E N 1.912 122.107 120.200 -0.008 0.000 2.328 26 E HA 0.120 4.470 4.350 -0.000 0.000 0.265 26 E C 1.115 177.710 176.600 -0.008 0.000 1.057 26 E CA 0.194 56.590 56.400 -0.007 0.000 0.916 26 E CB 0.882 30.579 29.700 -0.006 0.000 0.993 26 E HN 0.688 nan 8.360 nan 0.000 0.446 27 A N 5.883 128.698 122.820 -0.009 0.000 1.923 27 A HA -0.389 3.931 4.320 -0.000 0.000 0.222 27 A C 2.048 179.626 177.584 -0.011 0.000 1.258 27 A CA 2.336 54.367 52.037 -0.010 0.000 0.670 27 A CB -0.989 18.005 19.000 -0.010 0.000 0.834 27 A HN 0.963 nan 8.150 nan 0.000 0.470 28 N N 0.048 118.741 118.700 -0.012 0.000 2.037 28 N HA -0.190 4.550 4.740 -0.000 0.000 0.196 28 N C 1.745 177.247 175.510 -0.013 0.000 1.034 28 N CA 2.653 55.694 53.050 -0.015 0.000 0.861 28 N CB -0.441 38.037 38.487 -0.014 0.000 1.039 28 N HN 0.292 nan 8.380 nan 0.000 0.427 29 V N 2.088 121.996 119.914 -0.010 0.000 2.252 29 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 29 V C 2.775 178.863 176.094 -0.009 0.000 1.056 29 V CA 2.163 64.458 62.300 -0.008 0.000 1.022 29 V CB -0.596 31.222 31.823 -0.008 0.000 0.641 29 V HN 0.361 nan 8.190 nan 0.000 0.445 30 M N -0.541 119.054 119.600 -0.010 0.000 2.151 30 M HA -0.330 4.150 4.480 -0.000 0.000 0.256 30 M C 2.300 178.595 176.300 -0.009 0.000 1.072 30 M CA 2.601 57.895 55.300 -0.009 0.000 1.090 30 M CB -0.790 31.804 32.600 -0.009 0.000 1.294 30 M HN 0.452 nan 8.290 nan 0.000 0.415 31 E N 0.863 121.057 120.200 -0.011 0.000 2.048 31 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 31 E C 1.780 178.374 176.600 -0.010 0.000 1.021 31 E CA 2.030 58.423 56.400 -0.012 0.000 0.825 31 E CB -0.183 29.507 29.700 -0.016 0.000 0.756 31 E HN 0.492 nan 8.360 nan 0.000 0.454 32 I N 0.650 121.213 120.570 -0.011 0.000 2.076 32 I HA -0.344 3.826 4.170 -0.000 0.000 0.237 32 I C 2.666 178.782 176.117 -0.001 0.000 1.059 32 I CA 1.159 62.456 61.300 -0.007 0.000 1.317 32 I CB -0.460 37.538 38.000 -0.004 0.000 1.037 32 I HN 0.222 nan 8.210 nan 0.000 0.398 33 L N 0.656 121.876 121.223 -0.005 0.000 1.997 33 L HA -0.240 4.100 4.340 -0.000 0.000 0.216 33 L C 2.732 179.601 176.870 -0.003 0.000 1.074 33 L CA 1.933 56.768 54.840 -0.009 0.000 0.763 33 L CB -1.359 40.691 42.059 -0.015 0.000 0.890 33 L HN 0.414 nan 8.230 nan 0.000 0.434 34 G N 0.305 109.105 108.800 -0.001 0.000 2.529 34 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 34 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 34 G C 1.500 176.407 174.900 0.011 0.000 1.177 34 G CA 1.369 46.472 45.100 0.004 0.000 0.773 34 G HN 0.369 nan 8.290 nan 0.000 0.573 35 I N 1.427 122.003 120.570 0.010 0.000 2.163 35 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 35 I C 3.313 179.447 176.117 0.030 0.000 1.085 35 I CA 1.116 62.425 61.300 0.016 0.000 1.347 35 I CB -0.470 37.536 38.000 0.010 0.000 1.044 35 I HN 0.277 nan 8.210 nan 0.000 0.408 36 A N 1.568 124.406 122.820 0.029 0.000 1.824 36 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 36 A C 2.317 179.943 177.584 0.070 0.000 1.209 36 A CA 1.715 53.778 52.037 0.044 0.000 0.614 36 A CB -1.093 17.918 19.000 0.018 0.000 0.852 36 A HN 0.345 nan 8.150 nan 0.000 0.447 37 I N 0.028 120.622 120.570 0.040 0.000 2.143 37 I HA -0.389 3.781 4.170 -0.000 0.000 0.245 37 I C 2.452 178.634 176.117 0.108 0.000 1.068 37 I CA 2.097 63.435 61.300 0.064 0.000 1.326 37 I CB -0.677 37.337 38.000 0.023 0.000 1.028 37 I HN 0.585 nan 8.210 nan 0.000 0.412 38 N N 0.835 119.573 118.700 0.064 0.000 2.000 38 N HA -0.216 4.524 4.740 -0.000 0.000 0.198 38 N C 2.010 177.554 175.510 0.056 0.000 1.057 38 N CA 1.596 54.675 53.050 0.049 0.000 0.858 38 N CB -0.020 38.484 38.487 0.029 0.000 1.057 38 N HN 0.041 nan 8.380 nan 0.000 0.423 39 R N -0.413 120.123 120.500 0.059 0.000 2.117 39 R HA -0.183 4.157 4.340 -0.000 0.000 0.243 39 R C 2.095 178.430 176.300 0.060 0.000 1.143 39 R CA 1.196 57.326 56.100 0.050 0.000 0.968 39 R CB -1.359 28.974 30.300 0.054 0.000 0.863 39 R HN 0.528 nan 8.270 nan 0.000 0.444 40 Y N 1.698 121.985 120.300 -0.021 0.000 2.114 40 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 40 Y C 1.788 177.657 175.900 -0.052 0.000 1.143 40 Y CA 1.914 59.994 58.100 -0.033 0.000 1.135 40 Y CB -0.518 37.927 38.460 -0.025 0.000 0.980 40 Y HN 0.157 nan 8.280 nan 0.000 0.499 41 N N -0.631 118.104 118.700 0.059 0.000 2.223 41 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 41 N C 1.867 177.315 175.510 -0.103 0.000 1.016 41 N CA 0.819 53.848 53.050 -0.036 0.000 0.863 41 N CB -0.477 38.037 38.487 0.044 0.000 0.983 41 N HN 0.491 nan 8.380 nan 0.000 0.429 42 G N -0.130 108.628 108.800 -0.070 0.000 2.598 42 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.215 42 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.215 42 G C 1.252 176.088 174.900 -0.106 0.000 1.131 42 G CA 0.313 45.372 45.100 -0.068 0.000 0.785 42 G HN 0.200 nan 8.290 nan 0.000 0.539 43 L N -0.838 120.278 121.223 -0.180 0.000 2.717 43 L HA 0.162 4.502 4.340 -0.000 0.000 0.239 43 L C 2.488 179.165 176.870 -0.322 0.000 1.086 43 L CA 0.550 55.267 54.840 -0.205 0.000 0.897 43 L CB 0.612 42.562 42.059 -0.182 0.000 1.214 43 L HN 0.079 nan 8.230 nan 0.000 0.508 44 T N -0.639 113.610 114.554 -0.507 0.000 3.039 44 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 44 T C 0.872 175.326 174.700 -0.409 0.000 1.052 44 T CA 0.067 61.747 62.100 -0.699 0.000 1.125 44 T CB 0.437 68.648 68.868 -1.095 0.000 0.908 44 T HN 0.038 nan 8.240 nan 0.000 0.473 45 L N 0.095 121.164 121.223 -0.257 0.000 4.696 45 L HA -0.154 4.186 4.340 -0.000 0.000 0.425 45 L C 0.558 177.369 176.870 -0.097 0.000 1.115 45 L CA 0.785 55.544 54.840 -0.135 0.000 0.996 45 L CB -1.806 40.194 42.059 -0.100 0.000 2.077 45 L HN 0.245 nan 8.230 nan 0.000 0.792 46 R N -0.234 120.194 120.500 -0.121 0.000 2.543 46 R HA 0.623 4.963 4.340 -0.000 0.000 0.268 46 R C 0.987 177.305 176.300 0.031 0.000 1.067 46 R CA 0.254 56.343 56.100 -0.019 0.000 1.142 46 R CB 0.750 31.067 30.300 0.028 0.000 1.110 46 R HN 0.183 nan 8.270 nan 0.000 0.549 47 G N 1.231 110.062 108.800 0.052 0.000 3.286 47 G HA2 0.311 4.271 3.960 -0.000 0.000 0.303 47 G HA3 0.311 4.271 3.960 -0.000 0.000 0.303 47 G C -0.337 174.598 174.900 0.058 0.000 0.974 47 G CA -0.348 44.780 45.100 0.047 0.000 1.635 47 G HN 0.228 nan 8.290 nan 0.000 0.535 48 V N 2.219 122.182 119.914 0.081 0.000 2.461 48 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 48 V C 0.735 176.848 176.094 0.031 0.000 1.047 48 V CA -0.316 62.021 62.300 0.062 0.000 0.955 48 V CB 1.079 32.954 31.823 0.087 0.000 0.988 48 V HN 0.545 nan 8.190 nan 0.000 0.471 49 T N 5.243 119.802 114.554 0.009 0.000 2.899 49 T HA 0.269 4.619 4.350 -0.000 0.000 0.284 49 T C 0.971 175.667 174.700 -0.007 0.000 1.004 49 T CA -0.426 61.675 62.100 0.001 0.000 1.043 49 T CB 1.440 70.304 68.868 -0.007 0.000 1.013 49 T HN 0.674 nan 8.240 nan 0.000 0.518 50 M N 0.318 119.914 119.600 -0.007 0.000 2.476 50 M HA 0.214 4.694 4.480 -0.000 0.000 0.262 50 M C 0.861 177.152 176.300 -0.016 0.000 1.111 50 M CA 1.052 56.345 55.300 -0.011 0.000 1.127 50 M CB 0.271 32.867 32.600 -0.008 0.000 1.376 50 M HN 0.354 nan 8.290 nan 0.000 0.465 51 R N 1.149 121.640 120.500 -0.014 0.000 2.513 51 R HA 0.389 4.729 4.340 -0.000 0.000 0.283 51 R C -2.813 173.476 176.300 -0.019 0.000 1.535 51 R CA -1.661 54.429 56.100 -0.017 0.000 1.315 51 R CB 0.852 31.144 30.300 -0.014 0.000 1.163 51 R HN 0.011 nan 8.270 nan 0.000 0.573 52 P HA 0.308 nan 4.420 nan 0.000 0.274 52 P C -0.253 177.029 177.300 -0.031 0.000 1.237 52 P CA -0.242 62.840 63.100 -0.029 0.000 0.793 52 P CB 1.616 33.293 31.700 -0.039 0.000 0.977 53 T N -4.476 110.058 114.554 -0.032 0.000 3.608 53 T HA -0.026 4.324 4.350 -0.000 0.000 0.293 53 T C 1.682 176.362 174.700 -0.034 0.000 0.933 53 T CA 0.541 62.622 62.100 -0.031 0.000 1.081 53 T CB -1.059 67.794 68.868 -0.024 0.000 1.166 53 T HN 0.346 nan 8.240 nan 0.000 0.500 54 S N 2.356 118.038 115.700 -0.029 0.000 2.378 54 S HA 0.021 4.491 4.470 -0.000 0.000 0.221 54 S C 1.494 176.073 174.600 -0.036 0.000 1.037 54 S CA 1.912 60.096 58.200 -0.027 0.000 1.069 54 S CB -0.499 62.688 63.200 -0.020 0.000 1.006 54 S HN 1.052 nan 8.310 nan 0.000 0.423 55 L N -1.710 119.485 121.223 -0.046 0.000 1.246 55 L HA 0.217 4.557 4.340 -0.000 0.000 0.049 55 L C 1.609 178.435 176.870 -0.073 0.000 1.542 55 L CA 1.078 55.881 54.840 -0.061 0.000 1.111 55 L CB -1.201 40.831 42.059 -0.044 0.000 2.220 55 L HN 0.262 nan 8.230 nan 0.000 0.434 56 A N 0.262 123.054 122.820 -0.047 0.000 2.024 56 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 56 A C 1.884 179.430 177.584 -0.064 0.000 1.164 56 A CA 2.209 54.219 52.037 -0.046 0.000 0.643 56 A CB -0.603 18.393 19.000 -0.007 0.000 0.806 56 A HN 0.745 nan 8.150 nan 0.000 0.451 57 Q N -0.902 118.866 119.800 -0.053 0.000 2.083 57 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 57 Q C 2.368 178.324 176.000 -0.074 0.000 0.969 57 Q CA 1.137 56.911 55.803 -0.047 0.000 0.838 57 Q CB -0.114 28.605 28.738 -0.033 0.000 0.900 57 Q HN 0.668 nan 8.270 nan 0.000 0.436 58 R N 0.548 120.993 120.500 -0.092 0.000 2.066 58 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 58 R C 1.908 178.107 176.300 -0.167 0.000 1.131 58 R CA 1.125 57.161 56.100 -0.106 0.000 0.955 58 R CB -0.382 29.852 30.300 -0.109 0.000 0.851 58 R HN 0.250 nan 8.270 nan 0.000 0.432 59 N N 1.210 119.746 118.700 -0.273 0.000 2.036 59 N HA -0.198 4.542 4.740 -0.000 0.000 0.195 59 N C 1.715 176.748 175.510 -0.794 0.000 1.037 59 N CA 1.382 54.060 53.050 -0.619 0.000 0.855 59 N CB -0.346 37.763 38.487 -0.630 0.000 1.033 59 N HN 0.207 nan 8.380 nan 0.000 0.423 60 E N 0.702 120.671 120.200 -0.385 0.000 2.070 60 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 60 E C 2.001 178.580 176.600 -0.034 0.000 1.004 60 E CA 1.081 57.418 56.400 -0.104 0.000 0.805 60 E CB -0.206 29.500 29.700 0.011 0.000 0.744 60 E HN 0.364 nan 8.360 nan 0.000 0.451 61 M N -0.927 118.628 119.600 -0.075 0.000 2.117 61 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 61 M C 1.919 178.186 176.300 -0.056 0.000 1.065 61 M CA 1.487 56.745 55.300 -0.070 0.000 1.114 61 M CB -0.190 32.377 32.600 -0.055 0.000 1.361 61 M HN 0.232 nan 8.290 nan 0.000 0.408 62 F N 0.945 120.797 119.950 -0.162 0.000 2.069 62 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 62 F C 1.613 177.450 175.800 0.063 0.000 1.113 62 F CA 1.822 59.770 58.000 -0.086 0.000 1.214 62 F CB -0.631 38.287 39.000 -0.136 0.000 0.978 62 F HN 0.137 nan 8.300 nan 0.000 0.474 63 F N 0.415 120.362 119.950 -0.005 0.000 2.147 63 F HA -0.318 4.209 4.527 -0.000 0.000 0.301 63 F C 2.587 178.393 175.800 0.011 0.000 1.084 63 F CA 1.615 59.636 58.000 0.034 0.000 1.268 63 F CB -1.531 37.616 39.000 0.246 0.000 1.009 63 F HN 0.170 nan 8.300 nan 0.000 0.486 64 M N -0.526 119.109 119.600 0.060 0.000 2.059 64 M HA -0.252 4.228 4.480 -0.000 0.000 0.259 64 M C 2.424 178.552 176.300 -0.286 0.000 1.072 64 M CA 2.216 57.298 55.300 -0.364 0.000 1.117 64 M CB -0.621 31.492 32.600 -0.813 0.000 1.320 64 M HN 0.180 nan 8.290 nan 0.000 0.408 65 C N 0.570 119.695 119.300 -0.291 0.000 2.401 65 C HA -0.187 4.273 4.460 -0.000 0.000 0.276 65 C C 2.605 177.441 174.990 -0.257 0.000 1.233 65 C CA 0.923 59.778 59.018 -0.271 0.000 1.753 65 C CB -1.577 25.977 27.740 -0.310 0.000 2.029 65 C HN 0.720 nan 8.230 nan 0.000 0.478 66 L N 1.391 122.397 121.223 -0.362 0.000 1.970 66 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 66 L C 2.227 179.067 176.870 -0.050 0.000 1.071 66 L CA 2.109 56.774 54.840 -0.292 0.000 0.751 66 L CB -1.076 40.723 42.059 -0.434 0.000 0.889 66 L HN 0.280 nan 8.230 nan 0.000 0.432 67 D N -0.837 119.631 120.400 0.113 0.000 2.133 67 D HA -0.246 4.394 4.640 -0.000 0.000 0.195 67 D C 2.188 178.561 176.300 0.122 0.000 0.997 67 D CA 1.998 56.131 54.000 0.221 0.000 0.840 67 D CB -0.043 40.979 40.800 0.369 0.000 0.947 67 D HN 0.426 nan 8.370 nan 0.000 0.452 68 M N -0.401 119.232 119.600 0.056 0.000 2.156 68 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 68 M C 2.308 178.607 176.300 -0.001 0.000 1.067 68 M CA 0.875 56.191 55.300 0.027 0.000 1.131 68 M CB -0.252 32.334 32.600 -0.024 0.000 1.368 68 M HN 0.022 nan 8.290 nan 0.000 0.416 69 M N 1.201 120.781 119.600 -0.032 0.000 2.080 69 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 69 M C 1.977 178.265 176.300 -0.019 0.000 1.068 69 M CA 1.993 57.271 55.300 -0.036 0.000 1.109 69 M CB -0.652 31.914 32.600 -0.058 0.000 1.342 69 M HN 0.290 nan 8.290 nan 0.000 0.405 70 L N -0.545 120.675 121.223 -0.006 0.000 2.017 70 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 70 L C 2.481 179.357 176.870 0.010 0.000 1.073 70 L CA 1.456 56.299 54.840 0.005 0.000 0.745 70 L CB -1.005 41.073 42.059 0.032 0.000 0.894 70 L HN 0.289 nan 8.230 nan 0.000 0.432 71 S N -0.096 115.619 115.700 0.025 0.000 2.383 71 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 71 S C 2.135 176.738 174.600 0.004 0.000 1.030 71 S CA 1.273 59.487 58.200 0.023 0.000 1.002 71 S CB -0.285 62.941 63.200 0.042 0.000 0.829 71 S HN 0.503 nan 8.310 nan 0.000 0.467 72 A N 0.838 123.655 122.820 -0.004 0.000 2.015 72 A HA 0.276 4.596 4.320 -0.000 0.000 0.219 72 A C 2.137 179.705 177.584 -0.028 0.000 1.163 72 A CA 1.419 53.444 52.037 -0.020 0.000 0.646 72 A CB -0.577 18.406 19.000 -0.029 0.000 0.806 72 A HN 0.503 nan 8.150 nan 0.000 0.448 73 A N -1.691 121.115 122.820 -0.024 0.000 2.195 73 A HA 0.430 4.750 4.320 -0.000 0.000 0.210 73 A C 1.648 179.219 177.584 -0.022 0.000 1.165 73 A CA 1.082 53.103 52.037 -0.028 0.000 0.806 73 A CB -0.740 18.243 19.000 -0.029 0.000 0.847 73 A HN 1.864 nan 8.150 nan 0.000 0.482 74 G N -0.329 108.462 108.800 -0.014 0.000 2.289 74 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.280 74 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.280 74 G C -0.161 174.733 174.900 -0.009 0.000 1.089 74 G CA 0.415 45.509 45.100 -0.010 0.000 0.939 74 G HN 0.465 nan 8.290 nan 0.000 0.499 75 I N -0.047 120.519 120.570 -0.006 0.000 2.530 75 I HA 0.380 4.550 4.170 -0.000 0.000 0.297 75 I C 0.227 176.346 176.117 0.002 0.000 1.011 75 I CA -0.904 60.392 61.300 -0.006 0.000 1.107 75 I CB 2.138 40.130 38.000 -0.013 0.000 1.285 75 I HN 0.229 nan 8.210 nan 0.000 0.436 76 N N 4.908 123.608 118.700 0.000 0.000 2.682 76 N HA 0.184 4.924 4.740 -0.000 0.000 0.252 76 N C 0.672 176.186 175.510 0.006 0.000 1.081 76 N CA -0.292 52.760 53.050 0.004 0.000 0.844 76 N CB 1.539 40.024 38.487 -0.003 0.000 1.167 76 N HN 0.573 nan 8.380 nan 0.000 0.523 77 V N 1.519 121.444 119.914 0.018 0.000 2.759 77 V HA 0.222 4.342 4.120 -0.000 0.000 0.256 77 V C 1.246 177.355 176.094 0.025 0.000 1.080 77 V CA 1.249 63.561 62.300 0.019 0.000 1.101 77 V CB -1.457 30.385 31.823 0.032 0.000 0.698 77 V HN 0.745 nan 8.190 nan 0.000 0.477 78 G N 1.282 110.096 108.800 0.022 0.000 2.697 78 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.240 78 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.240 78 G C -1.974 172.947 174.900 0.035 0.000 1.346 78 G CA -0.135 44.973 45.100 0.014 0.000 0.887 78 G HN 0.705 nan 8.290 nan 0.000 0.569 79 P HA 0.200 nan 4.420 nan 0.000 0.263 79 P C 0.996 178.394 177.300 0.164 0.000 1.345 79 P CA 0.793 63.947 63.100 0.091 0.000 1.119 79 P CB -0.654 31.096 31.700 0.083 0.000 1.363 80 I N -0.156 120.482 120.570 0.113 0.000 4.323 80 I HA 0.308 4.479 4.170 -0.000 0.000 0.328 80 I C 0.316 176.348 176.117 -0.142 0.000 1.310 80 I CA -0.207 61.138 61.300 0.076 0.000 1.186 80 I CB 0.605 38.634 38.000 0.049 0.000 1.130 80 I HN 0.134 nan 8.210 nan 0.000 0.411 81 S N 1.348 116.940 115.700 -0.179 0.000 2.541 81 S HA 0.566 5.036 4.470 -0.000 0.000 0.271 81 S C -2.284 172.202 174.600 -0.190 0.000 1.133 81 S CA -0.985 57.035 58.200 -0.300 0.000 0.876 81 S CB 1.942 65.166 63.200 0.041 0.000 1.105 81 S HN 0.007 nan 8.310 nan 0.000 0.470 82 P HA 0.159 nan 4.420 nan 0.000 0.226 82 P C 0.166 177.498 177.300 0.054 0.000 1.161 82 P CA 0.700 63.826 63.100 0.042 0.000 0.804 82 P CB 0.185 31.957 31.700 0.119 0.000 0.829 83 D N -1.268 119.189 120.400 0.094 0.000 2.194 83 D HA -0.040 4.600 4.640 -0.000 0.000 0.204 83 D C 0.599 176.910 176.300 0.018 0.000 0.964 83 D CA 0.888 54.981 54.000 0.155 0.000 0.846 83 D CB -0.416 40.583 40.800 0.333 0.000 0.962 83 D HN 0.256 nan 8.370 nan 0.000 0.490 84 Y N 0.346 120.461 120.300 -0.309 0.000 2.446 84 Y HA 0.470 5.020 4.550 -0.000 0.000 0.338 84 Y C -0.908 174.782 175.900 -0.349 0.000 1.055 84 Y CA -0.419 57.289 58.100 -0.653 0.000 1.101 84 Y CB 1.907 39.725 38.460 -1.070 0.000 1.221 84 Y HN -0.343 nan 8.280 nan 0.000 0.460 85 T N 5.553 119.413 114.554 -1.157 0.000 2.971 85 T HA 0.178 4.528 4.350 -0.000 0.000 0.304 85 T C -1.432 172.478 174.700 -1.315 0.000 1.038 85 T CA -0.779 60.780 62.100 -0.902 0.000 1.007 85 T CB 1.481 70.021 68.868 -0.546 0.000 1.055 85 T HN 0.689 nan 8.240 nan 0.000 0.451 86 Q N 2.654 121.949 119.800 -0.841 0.000 2.288 86 Q HA 0.168 4.508 4.340 -0.000 0.000 0.258 86 Q C -0.702 175.051 176.000 -0.412 0.000 0.957 86 Q CA -0.424 55.095 55.803 -0.473 0.000 0.919 86 Q CB 0.460 29.159 28.738 -0.065 0.000 1.185 86 Q HN 0.650 nan 8.270 nan 0.000 0.408 87 H N 5.929 124.903 119.070 -0.159 0.000 2.594 87 H HA 0.108 4.664 4.556 -0.000 0.000 0.304 87 H C 0.633 175.928 175.328 -0.054 0.000 1.068 87 H CA -0.538 55.441 56.048 -0.114 0.000 1.308 87 H CB 1.235 30.916 29.762 -0.136 0.000 1.409 87 H HN 0.691 nan 8.280 nan 0.000 0.460 88 M N 1.842 121.451 119.600 0.015 0.000 2.296 88 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 88 M C 2.245 178.563 176.300 0.029 0.000 1.064 88 M CA 0.646 55.956 55.300 0.016 0.000 1.109 88 M CB -1.065 31.529 32.600 -0.010 0.000 1.396 88 M HN 0.645 nan 8.290 nan 0.000 0.430 89 A N 0.095 122.934 122.820 0.031 0.000 2.125 89 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 89 A C 2.213 179.808 177.584 0.018 0.000 1.156 89 A CA 1.784 53.828 52.037 0.012 0.000 0.671 89 A CB -1.134 17.860 19.000 -0.010 0.000 0.794 89 A HN 0.493 nan 8.150 nan 0.000 0.459 90 T N 0.216 114.801 114.554 0.051 0.000 2.802 90 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 90 T C 1.697 176.442 174.700 0.075 0.000 1.062 90 T CA 1.633 63.790 62.100 0.095 0.000 1.133 90 T CB -0.395 68.572 68.868 0.164 0.000 0.852 90 T HN 0.503 nan 8.240 nan 0.000 0.485 91 I N 1.606 122.205 120.570 0.048 0.000 2.226 91 I HA 0.002 4.172 4.170 -0.000 0.000 0.245 91 I C 2.487 178.620 176.117 0.027 0.000 1.100 91 I CA 1.334 62.653 61.300 0.032 0.000 1.374 91 I CB -0.872 37.140 38.000 0.019 0.000 1.057 91 I HN 0.229 nan 8.210 nan 0.000 0.413 92 G N -0.410 108.403 108.800 0.021 0.000 2.448 92 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 92 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 92 G C 1.568 176.482 174.900 0.024 0.000 1.127 92 G CA 1.106 46.216 45.100 0.016 0.000 0.766 92 G HN 0.388 nan 8.290 nan 0.000 0.552 93 V N 0.632 120.568 119.914 0.036 0.000 2.379 93 V HA -0.028 4.092 4.120 -0.000 0.000 0.245 93 V C 2.621 178.750 176.094 0.058 0.000 1.044 93 V CA 0.808 63.139 62.300 0.053 0.000 1.036 93 V CB -0.442 31.438 31.823 0.095 0.000 0.664 93 V HN 0.193 nan 8.190 nan 0.000 0.453 94 L N 0.566 121.823 121.223 0.057 0.000 2.376 94 L HA 0.089 4.429 4.340 -0.000 0.000 0.219 94 L C 2.382 179.275 176.870 0.038 0.000 1.133 94 L CA 1.733 56.602 54.840 0.048 0.000 0.816 94 L CB -1.386 40.694 42.059 0.036 0.000 0.933 94 L HN 0.338 nan 8.230 nan 0.000 0.449 95 A N -2.140 120.699 122.820 0.032 0.000 2.132 95 A HA 0.054 4.373 4.320 -0.000 0.000 0.213 95 A C 1.205 178.810 177.584 0.035 0.000 1.154 95 A CA 0.251 52.303 52.037 0.026 0.000 0.753 95 A CB -0.487 18.523 19.000 0.017 0.000 0.826 95 A HN 0.294 nan 8.150 nan 0.000 0.469 96 T N 3.067 117.644 114.554 0.039 0.000 2.769 96 T HA 0.229 4.579 4.350 -0.000 0.000 0.293 96 T C -1.481 173.252 174.700 0.055 0.000 0.931 96 T CA -0.620 61.503 62.100 0.039 0.000 1.139 96 T CB 1.004 69.892 68.868 0.034 0.000 0.881 96 T HN 0.270 nan 8.240 nan 0.000 0.532 97 P HA -0.067 nan 4.420 nan 0.000 0.231 97 P C 0.702 178.032 177.300 0.051 0.000 1.158 97 P CA 0.782 63.922 63.100 0.068 0.000 0.763 97 P CB 0.338 32.069 31.700 0.052 0.000 0.805 98 E N -0.232 119.991 120.200 0.038 0.000 2.347 98 E HA 0.018 4.368 4.350 -0.000 0.000 0.196 98 E C 0.739 177.353 176.600 0.024 0.000 1.008 98 E CA 0.323 56.737 56.400 0.023 0.000 0.852 98 E CB -0.226 29.486 29.700 0.019 0.000 0.783 98 E HN 0.400 nan 8.360 nan 0.000 0.505 99 I N 2.548 123.148 120.570 0.049 0.000 2.336 99 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 99 I C -2.043 174.113 176.117 0.066 0.000 0.991 99 I CA -2.435 58.898 61.300 0.055 0.000 1.227 99 I CB 1.057 39.103 38.000 0.077 0.000 1.366 99 I HN -0.155 nan 8.210 nan 0.000 0.466 100 P HA 0.482 nan 4.420 nan 0.000 0.284 100 P C -1.226 176.061 177.300 -0.021 0.000 1.292 100 P CA -0.256 62.754 63.100 -0.150 0.000 0.800 100 P CB 1.051 32.644 31.700 -0.178 0.000 1.188 101 F N -3.701 116.249 119.950 0.000 0.000 2.654 101 F HA 0.514 5.041 4.527 -0.000 0.000 0.308 101 F C -0.074 175.726 175.800 0.001 0.000 1.108 101 F CA -1.125 56.875 58.000 0.000 0.000 0.957 101 F CB 0.242 39.242 39.000 0.001 0.000 1.309 101 F HN 0.278 nan 8.300 nan 0.000 0.446 102 T N -2.037 112.627 114.554 0.184 0.000 2.860 102 T HA 0.215 4.565 4.350 -0.000 0.000 0.299 102 T C 0.829 175.628 174.700 0.165 0.000 1.045 102 T CA 0.142 62.306 62.100 0.106 0.000 1.071 102 T CB 1.077 69.992 68.868 0.078 0.000 0.985 102 T HN 0.757 nan 8.240 nan 0.000 0.537 103 T N 1.263 115.872 114.554 0.091 0.000 2.788 103 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 103 T C 1.796 176.556 174.700 0.099 0.000 1.044 103 T CA 1.522 63.680 62.100 0.097 0.000 1.139 103 T CB -0.366 68.532 68.868 0.050 0.000 0.867 103 T HN 0.710 nan 8.240 nan 0.000 0.454 104 E N 1.690 121.937 120.200 0.079 0.000 2.049 104 E HA -0.073 4.277 4.350 -0.000 0.000 0.198 104 E C 2.436 179.085 176.600 0.081 0.000 1.007 104 E CA 1.444 57.885 56.400 0.067 0.000 0.809 104 E CB -0.727 29.006 29.700 0.054 0.000 0.749 104 E HN 0.506 nan 8.360 nan 0.000 0.450 105 A N 0.867 123.746 122.820 0.097 0.000 1.902 105 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 105 A C 2.380 179.997 177.584 0.055 0.000 1.181 105 A CA 2.062 54.147 52.037 0.079 0.000 0.623 105 A CB -0.975 18.081 19.000 0.094 0.000 0.818 105 A HN 0.281 nan 8.150 nan 0.000 0.443 106 A N 0.491 123.378 122.820 0.112 0.000 1.873 106 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 106 A C 1.992 179.601 177.584 0.043 0.000 1.193 106 A CA 1.820 53.897 52.037 0.066 0.000 0.629 106 A CB -0.876 18.262 19.000 0.231 0.000 0.826 106 A HN 0.690 nan 8.150 nan 0.000 0.447 107 N N -0.962 117.778 118.700 0.067 0.000 2.142 107 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 107 N C 1.866 177.421 175.510 0.074 0.000 1.023 107 N CA 1.417 54.502 53.050 0.057 0.000 0.852 107 N CB -0.178 38.339 38.487 0.050 0.000 0.998 107 N HN 0.694 nan 8.380 nan 0.000 0.424 108 E N 0.810 121.065 120.200 0.091 0.000 2.070 108 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 108 E C 1.934 178.616 176.600 0.136 0.000 1.004 108 E CA 1.066 57.561 56.400 0.158 0.000 0.805 108 E CB 0.145 29.922 29.700 0.127 0.000 0.744 108 E HN 0.199 nan 8.360 nan 0.000 0.451 109 I N 0.623 121.215 120.570 0.035 0.000 2.193 109 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 109 I C 2.525 178.642 176.117 -0.000 0.000 1.084 109 I CA 1.266 62.553 61.300 -0.021 0.000 1.365 109 I CB -1.678 36.273 38.000 -0.081 0.000 1.064 109 I HN 0.146 nan 8.210 nan 0.000 0.410 110 A N 0.888 123.712 122.820 0.006 0.000 1.997 110 A HA -0.296 4.024 4.320 -0.000 0.000 0.221 110 A C 2.427 180.031 177.584 0.034 0.000 1.172 110 A CA 2.337 54.380 52.037 0.010 0.000 0.645 110 A CB -0.628 18.382 19.000 0.016 0.000 0.813 110 A HN 0.336 nan 8.150 nan 0.000 0.454 111 R N -0.266 120.283 120.500 0.082 0.000 2.057 111 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 111 R C 1.908 178.293 176.300 0.141 0.000 1.136 111 R CA 1.997 58.168 56.100 0.120 0.000 0.952 111 R CB -1.189 29.217 30.300 0.176 0.000 0.848 111 R HN 0.236 nan 8.270 nan 0.000 0.430 112 V N 0.410 120.410 119.914 0.143 0.000 2.255 112 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 112 V C 2.116 178.198 176.094 -0.019 0.000 1.051 112 V CA 2.539 64.852 62.300 0.022 0.000 1.018 112 V CB -0.874 30.867 31.823 -0.136 0.000 0.641 112 V HN 0.494 nan 8.190 nan 0.000 0.445 113 T N 0.152 114.687 114.554 -0.031 0.000 2.708 113 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 113 T C 1.922 176.595 174.700 -0.046 0.000 1.037 113 T CA 1.542 63.612 62.100 -0.049 0.000 1.146 113 T CB -0.876 67.963 68.868 -0.048 0.000 0.865 113 T HN 0.628 nan 8.240 nan 0.000 0.435 114 G N 2.233 111.020 108.800 -0.022 0.000 2.586 114 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 114 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 114 G C 1.473 176.350 174.900 -0.039 0.000 1.216 114 G CA 1.708 46.795 45.100 -0.021 0.000 0.786 114 G HN 0.717 nan 8.290 nan 0.000 0.583 115 E N -0.725 119.461 120.200 -0.024 0.000 2.046 115 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 115 E C 2.294 178.826 176.600 -0.115 0.000 0.982 115 E CA 1.655 58.029 56.400 -0.044 0.000 0.800 115 E CB -1.167 28.534 29.700 0.002 0.000 0.756 115 E HN 0.215 nan 8.360 nan 0.000 0.449 116 T N 0.065 114.556 114.554 -0.104 0.000 2.778 116 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 116 T C 1.825 176.371 174.700 -0.256 0.000 1.050 116 T CA 1.916 63.923 62.100 -0.155 0.000 1.137 116 T CB -0.554 68.250 68.868 -0.108 0.000 0.860 116 T HN 0.484 nan 8.240 nan 0.000 0.468 117 S N -0.992 114.570 115.700 -0.229 0.000 2.527 117 S HA 0.130 4.600 4.470 -0.000 0.000 0.222 117 S C 1.019 175.352 174.600 -0.444 0.000 0.985 117 S CA 0.303 58.338 58.200 -0.274 0.000 0.921 117 S CB 0.064 63.173 63.200 -0.151 0.000 0.772 117 S HN 0.420 nan 8.310 nan 0.000 0.529 118 T N -0.257 114.018 114.554 -0.465 0.000 2.742 118 T HA 0.553 4.903 4.350 -0.000 0.000 0.282 118 T C -1.653 172.716 174.700 -0.551 0.000 1.025 118 T CA -0.949 60.853 62.100 -0.496 0.000 1.020 118 T CB 0.900 69.732 68.868 -0.060 0.000 1.317 118 T HN 0.428 nan 8.240 nan 0.000 0.538 119 W N -0.424 120.882 121.300 0.009 0.000 2.869 119 W HA 0.686 5.346 4.660 -0.000 0.000 0.345 119 W C 0.225 176.749 176.519 0.009 0.000 1.191 119 W CA -0.958 56.392 57.345 0.008 0.000 1.104 119 W CB 1.402 30.866 29.460 0.006 0.000 1.471 119 W HN 1.019 nan 8.180 nan 0.000 0.612 120 G N 0.819 109.777 108.800 0.263 0.000 2.547 120 G HA2 0.423 4.383 3.960 -0.000 0.000 0.291 120 G HA3 0.423 4.383 3.960 -0.000 0.000 0.291 120 G C -3.171 171.796 174.900 0.112 0.000 1.471 120 G CA -0.922 44.267 45.100 0.147 0.000 0.798 120 G HN 0.028 nan 8.290 nan 0.000 0.504 121 P HA 0.537 nan 4.420 nan 0.000 0.281 121 P C -0.606 176.720 177.300 0.042 0.000 1.252 121 P CA -0.053 63.087 63.100 0.067 0.000 0.778 121 P CB 1.725 33.468 31.700 0.073 0.000 0.895 122 A N 3.759 126.593 122.820 0.024 0.000 2.459 122 A HA 0.416 4.736 4.320 -0.000 0.000 0.296 122 A C -0.173 177.373 177.584 -0.063 0.000 1.039 122 A CA -0.907 51.118 52.037 -0.020 0.000 0.698 122 A CB 1.242 20.229 19.000 -0.022 0.000 1.261 122 A HN 0.429 nan 8.150 nan 0.000 0.405 123 R N 1.962 122.405 120.500 -0.094 0.000 2.473 123 R HA 0.068 4.408 4.340 -0.000 0.000 0.315 123 R C -0.070 176.104 176.300 -0.211 0.000 0.972 123 R CA 0.107 56.121 56.100 -0.144 0.000 1.047 123 R CB 0.275 30.426 30.300 -0.248 0.000 0.932 123 R HN 0.668 nan 8.270 nan 0.000 0.411 124 Q N 4.222 123.813 119.800 -0.347 0.000 2.421 124 Q HA 0.034 4.374 4.340 -0.000 0.000 0.255 124 Q C -1.165 174.646 176.000 -0.315 0.000 1.013 124 Q CA -1.328 54.224 55.803 -0.419 0.000 0.895 124 Q CB 0.385 28.631 28.738 -0.821 0.000 1.271 124 Q HN 0.481 nan 8.270 nan 0.000 0.460 125 P HA -0.112 nan 4.420 nan 0.000 0.216 125 P C -0.255 176.731 177.300 -0.522 0.000 1.153 125 P CA 1.533 64.286 63.100 -0.578 0.000 0.844 125 P CB 0.278 31.377 31.700 -1.001 0.000 0.787 126 Y N -0.360 120.002 120.300 0.104 0.000 2.699 126 Y HA 0.610 5.160 4.550 -0.000 0.000 0.326 126 Y C 1.502 177.558 175.900 0.259 0.000 1.141 126 Y CA -1.281 56.910 58.100 0.151 0.000 1.246 126 Y CB -0.434 38.102 38.460 0.126 0.000 1.426 126 Y HN -0.172 nan 8.280 nan 0.000 0.559 127 G N -0.209 108.842 108.800 0.418 0.000 2.491 127 G HA2 0.084 4.044 3.960 -0.000 0.000 0.242 127 G HA3 0.084 4.044 3.960 -0.000 0.000 0.242 127 G C 0.318 175.408 174.900 0.316 0.000 1.266 127 G CA -0.216 45.105 45.100 0.369 0.000 0.844 127 G HN 0.664 nan 8.290 nan 0.000 0.571 128 F N 1.861 121.850 119.950 0.065 0.000 2.025 128 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 128 F C 1.652 177.225 175.800 -0.378 0.000 1.132 128 F CA 1.428 59.187 58.000 -0.402 0.000 1.191 128 F CB -0.153 38.418 39.000 -0.714 0.000 0.963 128 F HN 0.356 nan 8.300 nan 0.000 0.481 129 F N 0.596 120.736 119.950 0.316 0.000 2.913 129 F HA 0.157 4.684 4.527 -0.000 0.000 0.306 129 F C 1.158 177.020 175.800 0.103 0.000 1.205 129 F CA -0.242 57.868 58.000 0.184 0.000 1.359 129 F CB -0.517 38.569 39.000 0.143 0.000 1.260 129 F HN 0.008 nan 8.300 nan 0.000 0.545 130 L N 0.312 121.639 121.223 0.174 0.000 2.095 130 L HA 0.048 4.388 4.340 -0.000 0.000 0.204 130 L C 1.442 178.370 176.870 0.097 0.000 1.080 130 L CA 1.627 56.549 54.840 0.136 0.000 0.759 130 L CB -0.198 41.936 42.059 0.124 0.000 0.914 130 L HN 0.135 nan 8.230 nan 0.000 0.439 131 E N 0.899 121.145 120.200 0.077 0.000 2.594 131 E HA 0.088 4.438 4.350 -0.000 0.000 0.300 131 E C -0.395 176.250 176.600 0.074 0.000 1.568 131 E CA 0.021 56.457 56.400 0.059 0.000 1.811 131 E CB -0.528 29.195 29.700 0.037 0.000 1.458 131 E HN 0.458 nan 8.360 nan 0.000 0.470 132 T N -2.918 111.690 114.554 0.090 0.000 2.855 132 T HA 0.280 4.630 4.350 -0.000 0.000 0.281 132 T C 0.773 175.497 174.700 0.040 0.000 1.007 132 T CA -0.886 61.266 62.100 0.086 0.000 1.009 132 T CB 2.005 70.946 68.868 0.123 0.000 0.983 132 T HN 0.054 nan 8.240 nan 0.000 0.455 133 E N 0.937 121.149 120.200 0.021 0.000 2.250 133 E HA 0.064 4.414 4.350 -0.000 0.000 0.192 133 E C 0.087 176.663 176.600 -0.042 0.000 0.986 133 E CA 0.534 56.929 56.400 -0.007 0.000 0.849 133 E CB 0.391 30.087 29.700 -0.007 0.000 0.797 133 E HN 0.727 nan 8.360 nan 0.000 0.482 134 E N 0.251 120.422 120.200 -0.048 0.000 2.266 134 E HA 0.395 4.745 4.350 -0.000 0.000 0.268 134 E C -0.880 175.645 176.600 -0.124 0.000 0.879 134 E CA -0.424 55.897 56.400 -0.132 0.000 0.762 134 E CB 2.505 32.115 29.700 -0.150 0.000 1.199 134 E HN -0.188 nan 8.360 nan 0.000 0.422 135 T N 1.472 115.872 114.554 -0.257 0.000 2.916 135 T HA 0.621 4.971 4.350 -0.000 0.000 0.305 135 T C -1.758 172.722 174.700 -0.368 0.000 1.119 135 T CA -0.573 61.440 62.100 -0.146 0.000 1.008 135 T CB 0.505 69.333 68.868 -0.067 0.000 1.129 135 T HN 0.280 nan 8.240 nan 0.000 0.480 136 F N 1.770 121.622 119.950 -0.163 0.000 2.556 136 F HA 0.549 5.076 4.527 -0.000 0.000 0.327 136 F C 0.621 176.363 175.800 -0.096 0.000 1.059 136 F CA -1.014 56.885 58.000 -0.169 0.000 0.953 136 F CB 1.511 40.346 39.000 -0.274 0.000 1.227 136 F HN 0.501 nan 8.300 nan 0.000 0.478 137 Q N 4.403 124.269 119.800 0.110 0.000 2.300 137 Q HA 0.137 4.477 4.340 -0.000 0.000 0.280 137 Q C -2.416 173.641 176.000 0.094 0.000 1.033 137 Q CA -1.615 54.238 55.803 0.084 0.000 0.903 137 Q CB 0.747 29.538 28.738 0.088 0.000 1.195 137 Q HN 0.194 nan 8.270 nan 0.000 0.386 138 P HA 0.061 nan 4.420 nan 0.000 0.276 138 P C 0.265 177.621 177.300 0.093 0.000 1.235 138 P CA 0.876 64.016 63.100 0.067 0.000 0.772 138 P CB 1.019 32.754 31.700 0.059 0.000 0.871 139 G N 2.719 111.578 108.800 0.097 0.000 2.234 139 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 139 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 139 G C 0.369 175.408 174.900 0.233 0.000 0.987 139 G CA 0.186 45.383 45.100 0.161 0.000 0.625 139 G HN 0.774 nan 8.290 nan 0.000 0.532 140 R N 0.528 121.144 120.500 0.193 0.000 2.308 140 R HA 0.400 4.740 4.340 -0.000 0.000 0.305 140 R C 0.624 177.093 176.300 0.282 0.000 1.053 140 R CA -0.834 55.421 56.100 0.259 0.000 0.957 140 R CB 0.263 30.694 30.300 0.218 0.000 1.022 140 R HN 0.300 nan 8.270 nan 0.000 0.461 141 W N 6.857 128.272 121.300 0.192 0.000 2.193 141 W HA 0.149 4.809 4.660 -0.000 0.000 0.338 141 W C -1.637 174.993 176.519 0.184 0.000 1.310 141 W CA 0.129 57.556 57.345 0.136 0.000 1.243 141 W CB 0.469 30.046 29.460 0.194 0.000 1.165 141 W HN 0.572 nan 8.180 nan 0.000 0.566 142 F N 8.002 127.506 119.950 -0.744 0.000 2.749 142 F HA 0.277 4.804 4.527 -0.000 0.000 0.339 142 F C -1.579 173.748 175.800 -0.789 0.000 1.211 142 F CA -0.933 56.732 58.000 -0.559 0.000 1.099 142 F CB 0.926 39.727 39.000 -0.332 0.000 1.359 142 F HN 0.198 nan 8.300 nan 0.000 0.549 143 M N 6.903 125.924 119.600 -0.964 0.000 2.085 143 M HA 0.480 4.960 4.480 -0.000 0.000 0.309 143 M C -0.756 175.206 176.300 -0.563 0.000 0.947 143 M CA -0.425 54.501 55.300 -0.623 0.000 0.918 143 M CB 1.265 33.659 32.600 -0.345 0.000 1.504 143 M HN 0.614 nan 8.290 nan 0.000 0.420 144 R N 3.210 123.517 120.500 -0.321 0.000 2.537 144 R HA 0.558 4.898 4.340 -0.000 0.000 0.280 144 R C -0.341 175.877 176.300 -0.137 0.000 1.058 144 R CA 0.249 56.250 56.100 -0.165 0.000 1.057 144 R CB 0.535 30.836 30.300 0.002 0.000 0.973 144 R HN 0.912 nan 8.270 nan 0.000 0.438 145 A N 3.559 126.316 122.820 -0.104 0.000 2.580 145 A HA 0.277 4.597 4.320 -0.000 0.000 0.244 145 A C 1.169 178.729 177.584 -0.040 0.000 1.045 145 A CA 0.905 52.904 52.037 -0.064 0.000 0.761 145 A CB -0.481 18.495 19.000 -0.039 0.000 0.962 145 A HN 1.392 nan 8.150 nan 0.000 0.512 146 A N 1.772 124.572 122.820 -0.033 0.000 3.250 146 A HA -0.158 4.162 4.320 -0.000 0.000 0.256 146 A C 0.342 177.911 177.584 -0.026 0.000 1.231 146 A CA 1.449 53.473 52.037 -0.022 0.000 1.193 146 A CB -2.312 16.679 19.000 -0.015 0.000 1.149 146 A HN 0.960 nan 8.150 nan 0.000 0.930 147 Q N -1.595 118.180 119.800 -0.041 0.000 2.274 147 Q HA 0.699 5.039 4.340 -0.000 0.000 0.260 147 Q C 1.057 177.030 176.000 -0.046 0.000 0.974 147 Q CA 0.063 55.837 55.803 -0.049 0.000 0.876 147 Q CB 1.751 30.446 28.738 -0.072 0.000 1.297 147 Q HN 0.894 nan 8.270 nan 0.000 0.446 148 A N 1.297 124.094 122.820 -0.038 0.000 2.095 148 A HA 0.457 4.777 4.320 -0.000 0.000 0.212 148 A C 0.419 177.974 177.584 -0.049 0.000 1.162 148 A CA 0.719 52.743 52.037 -0.021 0.000 0.753 148 A CB 0.501 19.494 19.000 -0.012 0.000 0.840 148 A HN 0.595 nan 8.150 nan 0.000 0.468 149 A N -0.612 122.153 122.820 -0.092 0.000 2.381 149 A HA 0.623 4.943 4.320 -0.000 0.000 0.299 149 A C -0.656 176.826 177.584 -0.170 0.000 1.049 149 A CA -0.250 51.703 52.037 -0.140 0.000 0.715 149 A CB 0.980 19.898 19.000 -0.136 0.000 1.222 149 A HN 0.040 nan 8.150 nan 0.000 0.428 150 T N 2.234 116.643 114.554 -0.242 0.000 2.963 150 T HA 0.582 4.932 4.350 -0.000 0.000 0.328 150 T C 0.028 174.560 174.700 -0.280 0.000 1.048 150 T CA 0.082 62.038 62.100 -0.240 0.000 1.033 150 T CB 1.044 69.765 68.868 -0.245 0.000 1.010 150 T HN 1.188 nan 8.240 nan 0.000 0.469 151 A N 2.987 125.659 122.820 -0.247 0.000 2.354 151 A HA 0.856 5.176 4.320 -0.000 0.000 0.269 151 A C -0.153 177.217 177.584 -0.357 0.000 1.109 151 A CA -0.456 51.414 52.037 -0.278 0.000 0.800 151 A CB 0.732 19.598 19.000 -0.223 0.000 1.045 151 A HN 0.674 nan 8.150 nan 0.000 0.489 152 V N 2.164 121.821 119.914 -0.427 0.000 3.216 152 V HA 0.529 4.649 4.120 -0.000 0.000 0.302 152 V C -0.543 175.270 176.094 -0.468 0.000 1.286 152 V CA -0.253 61.720 62.300 -0.545 0.000 1.048 152 V CB 2.542 33.809 31.823 -0.928 0.000 1.081 152 V HN 1.355 nan 8.190 nan 0.000 0.442 153 V N 1.449 121.126 119.914 -0.394 0.000 2.607 153 V HA 0.493 4.613 4.120 -0.000 0.000 0.289 153 V C 0.646 176.691 176.094 -0.082 0.000 1.053 153 V CA 0.431 62.535 62.300 -0.327 0.000 0.996 153 V CB 0.667 32.290 31.823 -0.332 0.000 0.995 153 V HN 1.310 nan 8.190 nan 0.000 0.476 154 C N 1.358 120.610 119.300 -0.079 0.000 3.785 154 C HA 0.863 5.323 4.460 -0.000 0.000 0.312 154 C C 0.871 175.875 174.990 0.022 0.000 1.566 154 C CA 0.166 59.187 59.018 0.006 0.000 1.837 154 C CB -0.793 26.946 27.740 -0.002 0.000 2.826 154 C HN 1.545 nan 8.230 nan 0.000 0.667 155 G N 0.631 109.446 108.800 0.025 0.000 2.490 155 G HA2 0.541 4.501 3.960 -0.000 0.000 0.308 155 G HA3 0.541 4.501 3.960 -0.000 0.000 0.308 155 G C -2.767 172.216 174.900 0.138 0.000 1.286 155 G CA -0.324 44.821 45.100 0.074 0.000 0.825 155 G HN -0.180 nan 8.290 nan 0.000 0.479 156 P HA 0.104 nan 4.420 nan 0.000 0.217 156 P C 0.459 177.971 177.300 0.353 0.000 1.151 156 P CA 1.629 64.871 63.100 0.237 0.000 0.828 156 P CB 0.258 32.070 31.700 0.186 0.000 0.788 157 D N -3.126 117.468 120.400 0.324 0.000 2.599 157 D HA 0.236 4.876 4.640 -0.000 0.000 0.249 157 D C -0.078 176.424 176.300 0.338 0.000 1.313 157 D CA -0.109 54.120 54.000 0.383 0.000 0.815 157 D CB -0.192 40.792 40.800 0.307 0.000 1.077 157 D HN 0.029 nan 8.370 nan 0.000 0.492 158 M N 1.658 121.412 119.600 0.257 0.000 2.395 158 M HA 0.559 5.039 4.480 -0.000 0.000 0.307 158 M C -1.545 174.717 176.300 -0.063 0.000 1.091 158 M CA -0.934 54.437 55.300 0.117 0.000 0.919 158 M CB 2.339 34.991 32.600 0.087 0.000 1.662 158 M HN 0.196 nan 8.290 nan 0.000 0.440 159 I N 1.136 121.648 120.570 -0.096 0.000 2.865 159 I HA 0.769 4.939 4.170 -0.000 0.000 0.302 159 I C -1.647 174.387 176.117 -0.138 0.000 1.140 159 I CA -0.710 60.440 61.300 -0.251 0.000 1.021 159 I CB 2.504 40.239 38.000 -0.442 0.000 1.233 159 I HN 0.753 nan 8.210 nan 0.000 0.427 160 Q N 3.419 123.106 119.800 -0.188 0.000 2.289 160 Q HA 0.729 5.069 4.340 -0.000 0.000 0.270 160 Q C -1.874 173.993 176.000 -0.223 0.000 1.038 160 Q CA -0.993 54.718 55.803 -0.152 0.000 0.812 160 Q CB 2.787 31.451 28.738 -0.123 0.000 1.300 160 Q HN 0.588 nan 8.270 nan 0.000 0.427 161 V N 1.618 121.410 119.914 -0.204 0.000 2.472 161 V HA 0.421 4.541 4.120 -0.000 0.000 0.290 161 V C -0.201 175.714 176.094 -0.299 0.000 1.037 161 V CA -0.635 61.515 62.300 -0.250 0.000 0.908 161 V CB 1.675 33.370 31.823 -0.213 0.000 0.985 161 V HN 0.859 nan 8.190 nan 0.000 0.454 162 S N 6.111 121.558 115.700 -0.421 0.000 2.423 162 S HA 0.565 5.035 4.470 -0.000 0.000 0.317 162 S C -0.537 173.804 174.600 -0.432 0.000 1.065 162 S CA -0.504 57.301 58.200 -0.658 0.000 1.111 162 S CB 0.339 62.758 63.200 -1.301 0.000 0.968 162 S HN 0.394 nan 8.310 nan 0.000 0.474 163 L N 3.781 124.939 121.223 -0.108 0.000 2.317 163 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 163 L C 0.414 177.458 176.870 0.290 0.000 1.024 163 L CA -0.488 54.371 54.840 0.032 0.000 0.810 163 L CB 1.062 43.109 42.059 -0.020 0.000 1.240 163 L HN 0.492 nan 8.230 nan 0.000 0.427 164 N N 0.988 119.823 118.700 0.225 0.000 2.445 164 N HA 0.337 5.077 4.740 -0.000 0.000 0.264 164 N C 0.019 175.593 175.510 0.107 0.000 1.227 164 N CA -0.365 52.819 53.050 0.225 0.000 0.963 164 N CB 1.375 39.957 38.487 0.158 0.000 1.188 164 N HN 0.695 nan 8.380 nan 0.000 0.491 165 A N -0.014 122.847 122.820 0.069 0.000 2.548 165 A HA 0.379 4.699 4.320 -0.000 0.000 0.247 165 A C 1.372 178.972 177.584 0.027 0.000 1.067 165 A CA 0.751 52.811 52.037 0.038 0.000 0.757 165 A CB -0.888 18.123 19.000 0.018 0.000 0.996 165 A HN 0.918 nan 8.150 nan 0.000 0.504 166 G N 1.020 109.830 108.800 0.018 0.000 2.212 166 G HA2 0.071 4.031 3.960 -0.000 0.000 0.266 166 G HA3 0.071 4.031 3.960 -0.000 0.000 0.266 166 G C 0.686 175.586 174.900 0.001 0.000 0.978 166 G CA 0.781 45.885 45.100 0.008 0.000 0.632 166 G HN 2.220 nan 8.290 nan 0.000 0.537 167 A N -0.018 122.803 122.820 0.001 0.000 2.332 167 A HA 0.863 5.183 4.320 -0.000 0.000 0.258 167 A C 0.690 178.239 177.584 -0.059 0.000 1.087 167 A CA 0.922 52.949 52.037 -0.016 0.000 0.802 167 A CB 0.394 19.393 19.000 -0.002 0.000 1.042 167 A HN 1.552 nan 8.150 nan 0.000 0.489 168 R N -0.325 120.128 120.500 -0.078 0.000 2.766 168 R HA 0.843 5.183 4.340 -0.000 0.000 0.270 168 R C -0.243 175.958 176.300 -0.166 0.000 1.035 168 R CA -0.416 55.580 56.100 -0.173 0.000 0.911 168 R CB 1.059 31.285 30.300 -0.123 0.000 1.243 168 R HN 1.950 nan 8.270 nan 0.000 0.460 169 G N 0.314 108.911 108.800 -0.339 0.000 2.347 169 G HA2 0.214 4.174 3.960 -0.000 0.000 0.303 169 G HA3 0.214 4.174 3.960 -0.000 0.000 0.303 169 G C -2.013 172.821 174.900 -0.110 0.000 1.481 169 G CA -0.898 44.134 45.100 -0.114 0.000 0.914 169 G HN 0.505 nan 8.290 nan 0.000 0.638 170 D N -0.588 119.868 120.400 0.093 0.000 2.313 170 D HA 0.493 5.133 4.640 -0.000 0.000 0.247 170 D C 0.948 177.245 176.300 -0.004 0.000 1.094 170 D CA -0.190 53.859 54.000 0.082 0.000 0.925 170 D CB 2.185 43.043 40.800 0.097 0.000 1.188 170 D HN 0.177 nan 8.370 nan 0.000 0.430 171 V N 1.213 121.119 119.914 -0.013 0.000 3.431 171 V HA -0.120 4.000 4.120 -0.000 0.000 0.255 171 V C 2.214 178.404 176.094 0.160 0.000 1.403 171 V CA -0.055 62.254 62.300 0.016 0.000 1.101 171 V CB 0.034 31.836 31.823 -0.035 0.000 0.891 171 V HN 0.511 nan 8.190 nan 0.000 0.446 172 Q N 2.271 122.181 119.800 0.183 0.000 2.250 172 Q HA -0.367 3.973 4.340 -0.000 0.000 0.215 172 Q C 1.843 178.116 176.000 0.456 0.000 1.002 172 Q CA 2.676 58.735 55.803 0.427 0.000 0.910 172 Q CB -0.974 28.012 28.738 0.413 0.000 0.939 172 Q HN 0.823 nan 8.270 nan 0.000 0.416 173 Q N 0.483 120.434 119.800 0.252 0.000 2.297 173 Q HA -0.137 4.203 4.340 -0.000 0.000 0.208 173 Q C 1.989 178.093 176.000 0.173 0.000 0.981 173 Q CA 1.464 57.376 55.803 0.183 0.000 0.876 173 Q CB -0.638 28.161 28.738 0.101 0.000 0.921 173 Q HN 0.511 nan 8.270 nan 0.000 0.446 174 I N 0.179 120.838 120.570 0.149 0.000 2.439 174 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 174 I C 1.534 177.726 176.117 0.126 0.000 1.139 174 I CA 0.833 62.137 61.300 0.007 0.000 1.438 174 I CB -0.172 37.686 38.000 -0.236 0.000 1.085 174 I HN -0.027 nan 8.210 nan 0.000 0.427 175 F N 0.459 120.582 119.950 0.287 0.000 2.118 175 F HA 0.039 4.566 4.527 -0.000 0.000 0.293 175 F C 1.650 177.580 175.800 0.217 0.000 1.102 175 F CA 0.556 58.712 58.000 0.260 0.000 1.247 175 F CB -1.021 38.065 39.000 0.143 0.000 1.017 175 F HN -0.033 nan 8.300 nan 0.000 0.475 176 Q N -0.270 119.743 119.800 0.356 0.000 2.469 176 Q HA 0.297 4.637 4.340 -0.000 0.000 0.279 176 Q C 1.218 177.323 176.000 0.176 0.000 1.097 176 Q CA 1.020 56.944 55.803 0.203 0.000 0.951 176 Q CB 0.152 28.975 28.738 0.143 0.000 1.297 176 Q HN 0.530 nan 8.270 nan 0.000 0.465 177 G N 0.594 109.461 108.800 0.112 0.000 2.561 177 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.203 177 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.203 177 G C -0.241 174.691 174.900 0.053 0.000 1.101 177 G CA -0.522 44.627 45.100 0.083 0.000 0.711 177 G HN 0.438 nan 8.290 nan 0.000 0.511 178 R N 2.409 122.943 120.500 0.057 0.000 2.441 178 R HA 0.507 4.847 4.340 -0.000 0.000 0.300 178 R C 1.210 177.485 176.300 -0.041 0.000 1.284 178 R CA 0.622 56.700 56.100 -0.035 0.000 1.069 178 R CB -0.914 29.274 30.300 -0.187 0.000 1.087 178 R HN 0.697 nan 8.270 nan 0.000 0.519 179 N N 0.985 119.669 118.700 -0.027 0.000 1.293 179 N HA -0.342 4.398 4.740 -0.000 0.000 0.131 179 N C 0.006 175.503 175.510 -0.022 0.000 0.217 179 N CA 2.320 55.355 53.050 -0.025 0.000 1.156 179 N CB -0.254 38.214 38.487 -0.031 0.000 1.264 179 N HN 0.483 nan 8.380 nan 0.000 0.796 180 D N 0.056 120.445 120.400 -0.018 0.000 2.336 180 D HA 0.323 4.963 4.640 -0.000 0.000 0.248 180 D C -2.830 173.491 176.300 0.034 0.000 1.326 180 D CA -1.188 52.808 54.000 -0.008 0.000 0.973 180 D CB 1.212 41.995 40.800 -0.029 0.000 1.255 180 D HN 0.076 nan 8.370 nan 0.000 0.558 181 P HA 0.377 nan 4.420 nan 0.000 0.301 181 P C 0.311 177.633 177.300 0.036 0.000 1.337 181 P CA -0.579 62.604 63.100 0.137 0.000 0.889 181 P CB 2.075 33.885 31.700 0.184 0.000 1.050 182 M N 1.202 120.839 119.600 0.062 0.000 2.534 182 M HA 0.217 4.697 4.480 -0.000 0.000 0.263 182 M C 0.396 176.668 176.300 -0.047 0.000 1.152 182 M CA 1.067 56.369 55.300 0.003 0.000 1.145 182 M CB 0.193 32.816 32.600 0.037 0.000 1.333 182 M HN 0.313 nan 8.290 nan 0.000 0.477 183 M N 0.671 120.258 119.600 -0.022 0.000 2.355 183 M HA 0.415 4.895 4.480 -0.000 0.000 0.232 183 M C -2.130 174.060 176.300 -0.183 0.000 0.988 183 M CA -0.030 55.168 55.300 -0.170 0.000 0.931 183 M CB 1.458 33.994 32.600 -0.108 0.000 2.294 183 M HN -0.019 nan 8.290 nan 0.000 0.459 184 I N 4.797 125.171 120.570 -0.325 0.000 2.353 184 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 184 I C -1.103 174.777 176.117 -0.395 0.000 0.992 184 I CA -0.745 60.442 61.300 -0.188 0.000 1.268 184 I CB 1.094 38.970 38.000 -0.206 0.000 1.387 184 I HN 0.594 nan 8.210 nan 0.000 0.478 185 Y N 6.506 126.688 120.300 -0.197 0.000 2.404 185 Y HA 0.426 4.976 4.550 -0.000 0.000 0.344 185 Y C -0.179 175.624 175.900 -0.161 0.000 0.970 185 Y CA -0.569 57.350 58.100 -0.301 0.000 1.180 185 Y CB 0.801 38.749 38.460 -0.853 0.000 1.138 185 Y HN 0.342 nan 8.280 nan 0.000 0.510 186 L N 3.182 124.418 121.223 0.021 0.000 2.304 186 L HA 0.764 5.104 4.340 -0.000 0.000 0.268 186 L C -0.786 176.141 176.870 0.094 0.000 1.010 186 L CA -1.197 53.680 54.840 0.062 0.000 0.813 186 L CB 2.094 44.163 42.059 0.016 0.000 1.315 186 L HN 0.363 nan 8.230 nan 0.000 0.445 187 V N 2.479 122.468 119.914 0.125 0.000 2.719 187 V HA 0.454 4.574 4.120 -0.000 0.000 0.289 187 V C -1.859 174.322 176.094 0.146 0.000 1.167 187 V CA -0.509 61.853 62.300 0.103 0.000 0.929 187 V CB 1.359 33.217 31.823 0.059 0.000 1.050 187 V HN 0.768 nan 8.190 nan 0.000 0.448 188 W N 6.723 128.021 121.300 -0.003 0.000 2.570 188 W HA 0.866 5.526 4.660 -0.000 0.000 0.337 188 W C -1.144 175.375 176.519 -0.000 0.000 1.067 188 W CA -0.924 56.416 57.345 -0.008 0.000 1.229 188 W CB 1.418 30.855 29.460 -0.040 0.000 1.355 188 W HN 0.579 nan 8.180 nan 0.000 0.555 189 R N 1.879 122.391 120.500 0.019 0.000 2.867 189 R HA 0.544 4.884 4.340 -0.000 0.000 0.268 189 R C -0.548 175.806 176.300 0.089 0.000 1.014 189 R CA -1.370 54.629 56.100 -0.167 0.000 0.946 189 R CB 2.688 32.937 30.300 -0.086 0.000 1.208 189 R HN 0.440 nan 8.270 nan 0.000 0.477 190 R N 1.064 121.579 120.500 0.026 0.000 2.297 190 R HA 0.342 4.682 4.340 -0.000 0.000 0.308 190 R C -0.118 176.254 176.300 0.119 0.000 1.029 190 R CA -0.359 55.830 56.100 0.149 0.000 0.929 190 R CB 0.833 31.213 30.300 0.133 0.000 1.046 190 R HN 0.458 nan 8.270 nan 0.000 0.461 191 I N 3.511 124.168 120.570 0.146 0.000 2.213 191 I HA -0.015 4.155 4.170 -0.000 0.000 0.295 191 I C 1.221 177.509 176.117 0.285 0.000 1.172 191 I CA 0.028 61.436 61.300 0.180 0.000 1.443 191 I CB 0.477 38.571 38.000 0.155 0.000 1.491 191 I HN 0.636 nan 8.210 nan 0.000 0.652 192 E N 3.480 123.792 120.200 0.186 0.000 2.233 192 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 192 E C 0.548 177.234 176.600 0.143 0.000 1.004 192 E CA 1.362 57.855 56.400 0.154 0.000 0.819 192 E CB 0.097 29.846 29.700 0.083 0.000 0.738 192 E HN 0.594 nan 8.360 nan 0.000 0.478 193 N N -0.589 118.208 118.700 0.161 0.000 2.558 193 N HA 0.158 4.898 4.740 -0.000 0.000 0.285 193 N C -1.507 174.100 175.510 0.161 0.000 1.112 193 N CA -0.388 52.701 53.050 0.065 0.000 0.857 193 N CB 0.434 38.936 38.487 0.025 0.000 1.376 193 N HN -0.039 nan 8.380 nan 0.000 0.526 194 F N 1.324 121.310 119.950 0.060 0.000 2.593 194 F HA 0.854 5.381 4.527 -0.000 0.000 0.320 194 F C -0.306 175.542 175.800 0.080 0.000 1.060 194 F CA -1.231 56.821 58.000 0.086 0.000 0.940 194 F CB 0.708 39.787 39.000 0.132 0.000 1.268 194 F HN 0.239 nan 8.300 nan 0.000 0.475 195 A N 3.809 126.806 122.820 0.296 0.000 2.354 195 A HA 0.609 4.929 4.320 -0.000 0.000 0.269 195 A C -0.040 177.719 177.584 0.292 0.000 1.109 195 A CA -0.611 51.537 52.037 0.186 0.000 0.800 195 A CB 0.288 19.392 19.000 0.173 0.000 1.045 195 A HN 0.765 nan 8.150 nan 0.000 0.489 196 M N 1.359 121.036 119.600 0.128 0.000 2.369 196 M HA 0.344 4.824 4.480 -0.000 0.000 0.291 196 M C 1.684 178.082 176.300 0.163 0.000 1.178 196 M CA -0.060 55.306 55.300 0.111 0.000 0.996 196 M CB 0.845 33.402 32.600 -0.072 0.000 1.472 196 M HN 0.862 nan 8.290 nan 0.000 0.496 197 A N 0.431 123.349 122.820 0.164 0.000 2.032 197 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 197 A C 1.745 179.394 177.584 0.107 0.000 1.165 197 A CA 1.639 53.786 52.037 0.183 0.000 0.645 197 A CB -0.325 18.773 19.000 0.163 0.000 0.807 197 A HN 0.785 nan 8.150 nan 0.000 0.453 198 Q N -2.725 117.109 119.800 0.057 0.000 2.339 198 Q HA 0.201 4.541 4.340 -0.000 0.000 0.205 198 Q C 1.503 177.524 176.000 0.035 0.000 0.925 198 Q CA 1.190 57.014 55.803 0.035 0.000 0.898 198 Q CB 0.548 29.289 28.738 0.005 0.000 1.013 198 Q HN 0.935 nan 8.270 nan 0.000 0.504 199 G N 1.352 110.174 108.800 0.037 0.000 2.421 199 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.188 199 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.188 199 G C -0.017 174.885 174.900 0.003 0.000 1.001 199 G CA -0.106 45.014 45.100 0.033 0.000 0.693 199 G HN 0.493 nan 8.290 nan 0.000 0.479 200 N N 1.085 119.770 118.700 -0.025 0.000 2.508 200 N HA 0.504 5.244 4.740 -0.000 0.000 0.264 200 N C 0.371 175.822 175.510 -0.100 0.000 1.216 200 N CA 0.369 53.384 53.050 -0.058 0.000 0.943 200 N CB 1.032 39.475 38.487 -0.073 0.000 1.113 200 N HN 0.120 nan 8.380 nan 0.000 0.447 201 S N 0.221 115.852 115.700 -0.114 0.000 2.579 201 S HA 0.103 4.573 4.470 -0.000 0.000 0.275 201 S C -0.063 174.357 174.600 -0.299 0.000 1.345 201 S CA -0.336 57.758 58.200 -0.176 0.000 1.031 201 S CB 0.734 63.859 63.200 -0.125 0.000 0.892 201 S HN 0.734 nan 8.310 nan 0.000 0.529 202 Q N 0.820 120.305 119.800 -0.525 0.000 2.340 202 Q HA 0.464 4.804 4.340 -0.000 0.000 0.276 202 Q C -1.715 173.843 176.000 -0.738 0.000 1.048 202 Q CA -0.494 54.882 55.803 -0.712 0.000 0.832 202 Q CB 1.535 29.624 28.738 -1.081 0.000 1.373 202 Q HN 0.544 nan 8.270 nan 0.000 0.409 203 Q N 0.374 119.959 119.800 -0.359 0.000 2.235 203 Q HA 0.661 5.001 4.340 -0.000 0.000 0.256 203 Q C -1.088 174.970 176.000 0.098 0.000 0.951 203 Q CA -0.263 55.473 55.803 -0.111 0.000 0.890 203 Q CB 2.155 30.861 28.738 -0.053 0.000 1.279 203 Q HN 0.635 nan 8.270 nan 0.000 0.444 204 T N 3.291 117.989 114.554 0.240 0.000 2.749 204 T HA 0.306 4.656 4.350 -0.000 0.000 0.287 204 T C -0.640 174.153 174.700 0.154 0.000 0.970 204 T CA -0.794 61.476 62.100 0.284 0.000 0.980 204 T CB 0.733 69.794 68.868 0.322 0.000 0.924 204 T HN 0.302 nan 8.240 nan 0.000 0.456 205 Q N 1.753 121.625 119.800 0.119 0.000 2.299 205 Q HA 0.496 4.836 4.340 -0.000 0.000 0.246 205 Q C 0.096 176.147 176.000 0.086 0.000 0.935 205 Q CA -0.461 55.391 55.803 0.081 0.000 0.887 205 Q CB 0.937 29.709 28.738 0.058 0.000 1.223 205 Q HN 0.826 nan 8.270 nan 0.000 0.439 206 A N 0.722 123.584 122.820 0.071 0.000 2.492 206 A HA 0.469 4.789 4.320 -0.000 0.000 0.254 206 A C 1.048 178.674 177.584 0.071 0.000 1.091 206 A CA 0.893 52.975 52.037 0.074 0.000 0.768 206 A CB -0.313 18.718 19.000 0.052 0.000 1.028 206 A HN 0.885 nan 8.150 nan 0.000 0.498 207 G N 1.304 110.158 108.800 0.089 0.000 3.033 207 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.208 207 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.208 207 G C 0.082 175.023 174.900 0.069 0.000 1.006 207 G CA -0.022 45.120 45.100 0.070 0.000 0.808 207 G HN 1.137 nan 8.290 nan 0.000 0.499 208 V N 3.207 123.173 119.914 0.088 0.000 2.599 208 V HA 0.470 4.590 4.120 -0.000 0.000 0.300 208 V C 0.973 177.079 176.094 0.020 0.000 1.034 208 V CA 1.049 63.373 62.300 0.039 0.000 1.115 208 V CB 0.697 32.556 31.823 0.061 0.000 0.934 208 V HN 0.742 nan 8.190 nan 0.000 0.485 209 T N 2.197 116.689 114.554 -0.104 0.000 2.912 209 T HA 0.787 5.137 4.350 -0.000 0.000 0.288 209 T C -0.838 173.626 174.700 -0.393 0.000 1.030 209 T CA -0.800 61.205 62.100 -0.158 0.000 1.020 209 T CB 1.924 70.757 68.868 -0.057 0.000 1.056 209 T HN 0.314 nan 8.240 nan 0.000 0.480 210 V N 2.579 122.187 119.914 -0.510 0.000 2.531 210 V HA 0.710 4.830 4.120 -0.000 0.000 0.301 210 V C -0.174 175.725 176.094 -0.326 0.000 1.034 210 V CA -0.838 61.089 62.300 -0.622 0.000 0.865 210 V CB 1.666 32.744 31.823 -1.242 0.000 0.995 210 V HN 1.233 nan 8.190 nan 0.000 0.424 211 S N 3.721 119.282 115.700 -0.232 0.000 2.532 211 S HA 0.832 5.302 4.470 -0.000 0.000 0.299 211 S C -0.924 173.582 174.600 -0.156 0.000 1.105 211 S CA -0.763 57.358 58.200 -0.131 0.000 1.018 211 S CB 1.878 65.048 63.200 -0.050 0.000 1.021 211 S HN 0.403 nan 8.310 nan 0.000 0.483 212 V N 2.468 122.291 119.914 -0.152 0.000 2.435 212 V HA 0.694 4.814 4.120 -0.000 0.000 0.290 212 V C 1.322 177.370 176.094 -0.077 0.000 1.030 212 V CA 0.103 62.294 62.300 -0.181 0.000 0.881 212 V CB 0.519 32.210 31.823 -0.220 0.000 0.983 212 V HN 1.538 nan 8.190 nan 0.000 0.445 213 G N 3.423 112.194 108.800 -0.048 0.000 2.296 213 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.282 213 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.282 213 G C 1.203 176.084 174.900 -0.031 0.000 1.014 213 G CA 1.200 46.291 45.100 -0.015 0.000 0.812 213 G HN 2.149 nan 8.290 nan 0.000 0.508 214 G N -2.308 106.463 108.800 -0.049 0.000 2.659 214 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.212 214 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.212 214 G C 1.000 175.880 174.900 -0.033 0.000 1.226 214 G CA 0.855 45.927 45.100 -0.048 0.000 0.739 214 G HN 1.921 nan 8.290 nan 0.000 0.528 215 V N 3.188 123.087 119.914 -0.025 0.000 2.694 215 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 215 V C 0.334 176.417 176.094 -0.018 0.000 1.054 215 V CA 0.417 62.709 62.300 -0.014 0.000 1.161 215 V CB 1.315 33.136 31.823 -0.004 0.000 0.916 215 V HN 0.483 nan 8.190 nan 0.000 0.490 216 D N 6.520 126.918 120.400 -0.004 0.000 2.308 216 D HA 0.237 4.877 4.640 -0.000 0.000 0.251 216 D C -0.460 175.860 176.300 0.033 0.000 1.127 216 D CA -0.337 53.664 54.000 0.002 0.000 0.876 216 D CB 0.901 41.710 40.800 0.015 0.000 1.176 216 D HN 0.386 nan 8.370 nan 0.000 0.446 217 M N 2.979 122.610 119.600 0.052 0.000 2.436 217 M HA 0.332 4.812 4.480 -0.000 0.000 0.331 217 M C 0.508 176.992 176.300 0.308 0.000 1.135 217 M CA -0.616 54.765 55.300 0.135 0.000 0.987 217 M CB 1.735 34.403 32.600 0.114 0.000 1.687 217 M HN 0.232 nan 8.290 nan 0.000 0.445 218 R N 0.693 121.336 120.500 0.238 0.000 2.801 218 R HA 0.585 4.925 4.340 -0.000 0.000 0.273 218 R C 0.060 176.429 176.300 0.115 0.000 1.080 218 R CA -0.273 55.944 56.100 0.194 0.000 1.197 218 R CB 0.407 30.740 30.300 0.054 0.000 1.109 218 R HN 0.805 nan 8.270 nan 0.000 0.535 219 A N 0.011 122.628 122.820 -0.339 0.000 2.306 219 A HA 0.516 4.836 4.320 -0.000 0.000 0.314 219 A C 0.834 178.062 177.584 -0.593 0.000 1.164 219 A CA 0.151 51.474 52.037 -1.190 0.000 0.822 219 A CB 0.893 18.943 19.000 -1.583 0.000 1.130 219 A HN 0.827 nan 8.150 nan 0.000 0.496 220 G N 0.566 109.044 108.800 -0.536 0.000 2.143 220 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.249 220 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.249 220 G C 0.198 175.021 174.900 -0.128 0.000 0.981 220 G CA 0.695 45.643 45.100 -0.253 0.000 0.665 220 G HN 0.855 nan 8.290 nan 0.000 0.528 221 R N -0.516 119.921 120.500 -0.105 0.000 2.711 221 R HA 0.768 5.108 4.340 -0.000 0.000 0.284 221 R C 0.686 177.007 176.300 0.035 0.000 0.968 221 R CA -0.857 55.235 56.100 -0.013 0.000 0.924 221 R CB 0.811 31.116 30.300 0.008 0.000 1.162 221 R HN 0.240 nan 8.270 nan 0.000 0.465 222 I N 3.594 124.204 120.570 0.067 0.000 2.575 222 I HA 0.262 4.432 4.170 -0.000 0.000 0.285 222 I C -0.091 176.094 176.117 0.113 0.000 1.085 222 I CA -0.038 61.324 61.300 0.104 0.000 1.403 222 I CB 0.618 38.700 38.000 0.136 0.000 1.409 222 I HN 0.367 nan 8.210 nan 0.000 0.557 223 I N 4.680 125.312 120.570 0.103 0.000 2.466 223 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 223 I C 0.129 176.235 176.117 -0.019 0.000 1.026 223 I CA -0.550 60.787 61.300 0.062 0.000 1.078 223 I CB 1.962 39.984 38.000 0.037 0.000 1.249 223 I HN 0.580 nan 8.210 nan 0.000 0.429 224 A N 5.908 128.709 122.820 -0.031 0.000 2.906 224 A HA 0.150 4.470 4.320 -0.000 0.000 0.289 224 A C -0.943 176.576 177.584 -0.108 0.000 1.675 224 A CA -0.110 51.805 52.037 -0.204 0.000 1.372 224 A CB -0.552 18.425 19.000 -0.037 0.000 1.091 224 A HN 0.675 nan 8.150 nan 0.000 0.579 225 W N 4.127 125.191 121.300 -0.392 0.000 2.331 225 W HA 0.325 4.985 4.660 -0.000 0.000 0.306 225 W C 0.369 176.717 176.519 -0.285 0.000 1.162 225 W CA -1.310 55.852 57.345 -0.304 0.000 1.232 225 W CB 0.876 30.134 29.460 -0.337 0.000 1.235 225 W HN 0.752 nan 8.180 nan 0.000 0.479 226 D N 3.316 123.513 120.400 -0.337 0.000 2.352 226 D HA 0.016 4.656 4.640 -0.000 0.000 0.232 226 D C 1.594 177.436 176.300 -0.764 0.000 1.055 226 D CA 0.678 54.418 54.000 -0.434 0.000 0.891 226 D CB -0.229 40.460 40.800 -0.185 0.000 0.897 226 D HN 0.779 nan 8.370 nan 0.000 0.529 227 G N 0.956 108.685 108.800 -1.786 0.000 2.270 227 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.268 227 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.268 227 G C 1.232 175.674 174.900 -0.762 0.000 0.982 227 G CA 0.708 44.727 45.100 -1.802 0.000 0.628 227 G HN 0.391 nan 8.290 nan 0.000 0.544 228 Q N -0.325 119.252 119.800 -0.371 0.000 2.442 228 Q HA 0.494 4.834 4.340 -0.000 0.000 0.228 228 Q C 1.817 177.888 176.000 0.118 0.000 0.902 228 Q CA 0.835 56.596 55.803 -0.070 0.000 0.933 228 Q CB -0.174 28.517 28.738 -0.078 0.000 1.071 228 Q HN 0.983 nan 8.270 nan 0.000 0.562 229 A N 1.509 124.463 122.820 0.222 0.000 2.492 229 A HA 0.394 4.714 4.320 -0.000 0.000 0.236 229 A C 0.127 177.869 177.584 0.264 0.000 1.078 229 A CA 0.436 52.620 52.037 0.245 0.000 0.773 229 A CB 0.021 19.167 19.000 0.244 0.000 1.023 229 A HN 0.261 nan 8.150 nan 0.000 0.504 230 A N 1.013 123.889 122.820 0.093 0.000 2.438 230 A HA 0.426 4.746 4.320 -0.000 0.000 0.280 230 A C -0.008 177.527 177.584 -0.080 0.000 1.160 230 A CA -0.205 51.847 52.037 0.026 0.000 0.821 230 A CB -0.485 18.505 19.000 -0.016 0.000 1.101 230 A HN 1.250 nan 8.150 nan 0.000 0.515 231 L N 4.330 125.460 121.223 -0.155 0.000 2.358 231 L HA 0.299 4.639 4.340 -0.000 0.000 0.274 231 L C -0.168 176.597 176.870 -0.175 0.000 1.136 231 L CA 0.045 54.665 54.840 -0.367 0.000 0.970 231 L CB -0.519 41.163 42.059 -0.627 0.000 1.314 231 L HN 0.713 nan 8.230 nan 0.000 0.427 232 H N 2.612 121.532 119.070 -0.251 0.000 2.519 232 H HA 0.607 5.162 4.556 -0.000 0.000 0.316 232 H C -1.057 174.124 175.328 -0.245 0.000 1.065 232 H CA -0.454 55.474 56.048 -0.200 0.000 1.264 232 H CB 1.110 30.785 29.762 -0.146 0.000 1.413 232 H HN 0.303 nan 8.280 nan 0.000 0.465 233 V N 6.667 126.223 119.914 -0.597 0.000 2.417 233 V HA 0.499 4.619 4.120 -0.000 0.000 0.291 233 V C 0.137 175.902 176.094 -0.547 0.000 1.024 233 V CA -0.806 61.182 62.300 -0.520 0.000 0.861 233 V CB 1.368 32.944 31.823 -0.411 0.000 0.985 233 V HN 0.761 nan 8.190 nan 0.000 0.436 234 R N 2.832 123.105 120.500 -0.378 0.000 2.778 234 R HA 0.526 4.866 4.340 -0.000 0.000 0.277 234 R C -0.581 175.628 176.300 -0.151 0.000 0.977 234 R CA -0.788 55.167 56.100 -0.242 0.000 0.950 234 R CB 1.609 31.828 30.300 -0.135 0.000 1.165 234 R HN 0.651 nan 8.270 nan 0.000 0.474 235 N N 2.448 121.093 118.700 -0.091 0.000 2.790 235 N HA 0.182 4.922 4.740 -0.000 0.000 0.256 235 N C -2.125 173.377 175.510 -0.013 0.000 1.409 235 N CA -2.101 50.925 53.050 -0.040 0.000 0.799 235 N CB 1.058 39.533 38.487 -0.021 0.000 1.170 235 N HN 0.317 nan 8.380 nan 0.000 0.507 236 P HA -0.029 nan 4.420 nan 0.000 0.234 236 P C 0.481 177.789 177.300 0.012 0.000 1.167 236 P CA 0.433 63.535 63.100 0.003 0.000 0.763 236 P CB 0.270 31.973 31.700 0.005 0.000 0.835 237 T N 1.197 115.762 114.554 0.020 0.000 2.898 237 T HA 0.071 4.421 4.350 -0.000 0.000 0.301 237 T C 0.953 175.667 174.700 0.023 0.000 1.049 237 T CA -0.129 61.986 62.100 0.026 0.000 1.095 237 T CB 0.247 69.139 68.868 0.041 0.000 0.976 237 T HN -0.045 nan 8.240 nan 0.000 0.539 238 Q N 3.139 122.949 119.800 0.018 0.000 2.294 238 Q HA 0.273 4.613 4.340 -0.000 0.000 0.256 238 Q C 0.020 176.024 176.000 0.007 0.000 0.907 238 Q CA 0.317 56.127 55.803 0.010 0.000 0.954 238 Q CB 0.103 28.843 28.738 0.004 0.000 1.102 238 Q HN 0.603 nan 8.270 nan 0.000 0.429 239 Q N -0.323 119.489 119.800 0.020 0.000 2.590 239 Q HA 0.315 4.655 4.340 -0.000 0.000 0.295 239 Q C -1.002 175.025 176.000 0.046 0.000 0.973 239 Q CA -0.803 55.010 55.803 0.016 0.000 0.768 239 Q CB 1.602 30.354 28.738 0.022 0.000 1.479 239 Q HN 0.229 nan 8.270 nan 0.000 0.419 240 N N -0.159 118.559 118.700 0.030 0.000 2.508 240 N HA 0.472 5.212 4.740 -0.000 0.000 0.264 240 N C -1.052 174.616 175.510 0.264 0.000 1.216 240 N CA 0.145 53.236 53.050 0.068 0.000 0.943 240 N CB 0.916 39.262 38.487 -0.235 0.000 1.113 240 N HN 0.517 nan 8.380 nan 0.000 0.447 241 A N 1.568 124.549 122.820 0.268 0.000 2.515 241 A HA 0.789 5.109 4.320 -0.000 0.000 0.296 241 A C -1.097 176.448 177.584 -0.064 0.000 1.094 241 A CA -0.634 51.496 52.037 0.155 0.000 0.718 241 A CB 1.309 20.376 19.000 0.112 0.000 1.307 241 A HN 0.588 nan 8.150 nan 0.000 0.408 242 M N 2.013 121.452 119.600 -0.268 0.000 2.206 242 M HA 0.402 4.882 4.480 -0.000 0.000 0.272 242 M C -1.131 175.099 176.300 -0.117 0.000 1.012 242 M CA -0.594 54.498 55.300 -0.347 0.000 0.986 242 M CB 2.045 34.184 32.600 -0.770 0.000 1.740 242 M HN 0.728 nan 8.290 nan 0.000 0.472 243 V N 1.501 121.381 119.914 -0.057 0.000 2.628 243 V HA 0.720 4.840 4.120 -0.000 0.000 0.306 243 V C -0.753 175.371 176.094 0.051 0.000 1.045 243 V CA -0.723 61.623 62.300 0.076 0.000 0.905 243 V CB 1.680 33.580 31.823 0.130 0.000 0.997 243 V HN 0.934 nan 8.190 nan 0.000 0.436 244 Q N 3.655 123.527 119.800 0.120 0.000 2.307 244 Q HA 0.771 5.111 4.340 -0.000 0.000 0.262 244 Q C -1.222 174.875 176.000 0.162 0.000 0.961 244 Q CA -0.699 55.158 55.803 0.090 0.000 0.882 244 Q CB 2.177 30.958 28.738 0.073 0.000 1.264 244 Q HN 0.795 nan 8.270 nan 0.000 0.446 245 I N 2.591 123.242 120.570 0.136 0.000 2.339 245 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 245 I C -0.383 175.859 176.117 0.208 0.000 0.994 245 I CA -0.709 60.712 61.300 0.202 0.000 1.191 245 I CB 1.787 39.908 38.000 0.201 0.000 1.343 245 I HN 0.689 nan 8.210 nan 0.000 0.458 246 Q N 5.785 125.708 119.800 0.205 0.000 2.307 246 Q HA 0.400 4.740 4.340 -0.000 0.000 0.262 246 Q C -1.270 174.863 176.000 0.221 0.000 0.961 246 Q CA -0.700 55.227 55.803 0.206 0.000 0.882 246 Q CB 2.253 31.087 28.738 0.160 0.000 1.264 246 Q HN 0.526 nan 8.270 nan 0.000 0.446 247 V N 5.985 126.062 119.914 0.271 0.000 2.313 247 V HA -0.005 4.115 4.120 -0.000 0.000 0.252 247 V C 1.226 177.474 176.094 0.256 0.000 1.112 247 V CA 0.106 62.553 62.300 0.245 0.000 0.984 247 V CB 0.393 32.368 31.823 0.252 0.000 1.157 247 V HN 0.809 nan 8.190 nan 0.000 0.493 248 V N 6.506 126.535 119.914 0.193 0.000 2.287 248 V HA -0.050 4.070 4.120 -0.000 0.000 0.248 248 V C 0.496 176.827 176.094 0.395 0.000 1.053 248 V CA 2.349 64.793 62.300 0.240 0.000 1.027 248 V CB -0.163 31.774 31.823 0.190 0.000 0.646 248 V HN 0.877 nan 8.190 nan 0.000 0.447 249 F N -2.014 118.131 119.950 0.325 0.000 2.799 249 F HA 0.600 5.127 4.527 -0.000 0.000 0.316 249 F C -1.311 174.806 175.800 0.528 0.000 1.155 249 F CA -1.656 56.558 58.000 0.355 0.000 0.916 249 F CB 0.539 39.628 39.000 0.149 0.000 1.294 249 F HN 0.154 nan 8.300 nan 0.000 0.447 250 Y N 1.590 122.188 120.300 0.497 0.000 2.588 250 Y HA 0.863 5.413 4.550 -0.000 0.000 0.343 250 Y C -1.163 174.973 175.900 0.394 0.000 1.065 250 Y CA -2.557 55.789 58.100 0.411 0.000 1.038 250 Y CB 1.255 39.919 38.460 0.339 0.000 1.297 250 Y HN 0.900 nan 8.280 nan 0.000 0.467 251 I N 1.187 121.940 120.570 0.305 0.000 2.530 251 I HA 0.952 5.122 4.170 -0.000 0.000 0.297 251 I C -0.489 175.689 176.117 0.102 0.000 1.011 251 I CA -0.768 60.604 61.300 0.121 0.000 1.107 251 I CB 2.189 40.315 38.000 0.211 0.000 1.285 251 I HN 0.846 nan 8.210 nan 0.000 0.436 252 S N 4.775 120.488 115.700 0.021 0.000 2.671 252 S HA 0.533 5.003 4.470 -0.000 0.000 0.277 252 S C -0.092 174.537 174.600 0.049 0.000 1.165 252 S CA -0.989 57.243 58.200 0.054 0.000 0.822 252 S CB 2.035 65.274 63.200 0.066 0.000 1.150 252 S HN 0.783 nan 8.310 nan 0.000 0.479 253 M N 1.450 121.088 119.600 0.064 0.000 2.608 253 M HA 0.235 4.715 4.480 -0.000 0.000 0.224 253 M C -0.825 175.572 176.300 0.162 0.000 1.204 253 M CA 0.026 55.395 55.300 0.115 0.000 0.984 253 M CB -0.692 31.964 32.600 0.093 0.000 1.691 253 M HN 0.518 nan 8.290 nan 0.000 0.469 254 D N 1.589 122.047 120.400 0.097 0.000 2.210 254 D HA 0.201 4.841 4.640 -0.000 0.000 0.249 254 D C 0.113 176.458 176.300 0.074 0.000 1.062 254 D CA -0.126 53.930 54.000 0.094 0.000 0.891 254 D CB 1.084 41.917 40.800 0.055 0.000 1.186 254 D HN -0.133 nan 8.370 nan 0.000 0.432 255 K N 1.261 121.707 120.400 0.077 0.000 2.379 255 K HA 0.188 4.508 4.320 -0.000 0.000 0.284 255 K C 0.647 177.272 176.600 0.041 0.000 1.044 255 K CA -0.135 56.182 56.287 0.051 0.000 0.974 255 K CB 0.440 32.964 32.500 0.041 0.000 0.962 255 K HN 0.563 nan 8.250 nan 0.000 0.474 256 T N -1.335 113.229 114.554 0.016 0.000 2.876 256 T HA 0.332 4.682 4.350 -0.000 0.000 0.277 256 T C 1.013 175.718 174.700 0.008 0.000 0.997 256 T CA -0.787 61.309 62.100 -0.008 0.000 0.966 256 T CB 0.464 69.301 68.868 -0.052 0.000 1.312 256 T HN 0.202 nan 8.240 nan 0.000 0.598 257 L N 0.632 121.850 121.223 -0.009 0.000 2.599 257 L HA 0.353 4.693 4.340 -0.000 0.000 0.230 257 L C 1.166 178.047 176.870 0.018 0.000 1.141 257 L CA 0.790 55.638 54.840 0.014 0.000 0.877 257 L CB -1.149 40.910 42.059 0.001 0.000 1.009 257 L HN 0.615 nan 8.230 nan 0.000 0.447 258 N N -1.576 117.123 118.700 -0.003 0.000 2.273 258 N HA -0.004 4.736 4.740 -0.000 0.000 0.231 258 N C 1.459 176.971 175.510 0.004 0.000 1.134 258 N CA -0.109 52.934 53.050 -0.011 0.000 0.856 258 N CB 0.349 38.810 38.487 -0.043 0.000 1.068 258 N HN 0.428 nan 8.380 nan 0.000 0.510 259 Q N -0.231 119.592 119.800 0.038 0.000 2.123 259 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 259 Q C -0.152 175.908 176.000 0.100 0.000 0.966 259 Q CA 0.975 56.810 55.803 0.054 0.000 0.845 259 Q CB -0.049 28.724 28.738 0.058 0.000 0.907 259 Q HN 0.446 nan 8.270 nan 0.000 0.439 260 Y N 2.049 122.342 120.300 -0.011 0.000 2.373 260 Y HA 0.366 4.916 4.550 -0.000 0.000 0.336 260 Y C -2.564 173.335 175.900 -0.002 0.000 0.979 260 Y CA -3.114 54.982 58.100 -0.007 0.000 1.080 260 Y CB 1.711 40.169 38.460 -0.004 0.000 1.190 260 Y HN -0.041 nan 8.280 nan 0.000 0.446 261 P HA -0.128 nan 4.420 nan 0.000 0.255 261 P C 0.278 177.505 177.300 -0.121 0.000 1.141 261 P CA 1.848 64.749 63.100 -0.330 0.000 0.767 261 P CB 0.126 31.552 31.700 -0.456 0.000 0.726 262 A N 2.843 125.646 122.820 -0.029 0.000 2.771 262 A HA -0.249 4.071 4.320 -0.000 0.000 0.294 262 A C 1.483 179.137 177.584 0.117 0.000 1.500 262 A CA 0.995 53.054 52.037 0.037 0.000 0.829 262 A CB -2.296 16.722 19.000 0.030 0.000 0.998 262 A HN 0.656 nan 8.150 nan 0.000 0.526 263 L N -0.981 120.343 121.223 0.168 0.000 2.051 263 L HA -0.279 4.061 4.340 -0.000 0.000 0.214 263 L C 2.629 179.593 176.870 0.158 0.000 1.076 263 L CA 2.796 57.767 54.840 0.217 0.000 0.758 263 L CB -0.703 41.478 42.059 0.204 0.000 0.890 263 L HN 0.763 nan 8.230 nan 0.000 0.433 264 T N 0.013 114.638 114.554 0.118 0.000 2.565 264 T HA -0.331 4.019 4.350 -0.000 0.000 0.265 264 T C 1.873 176.672 174.700 0.165 0.000 1.082 264 T CA 1.758 63.924 62.100 0.109 0.000 1.173 264 T CB -0.745 68.154 68.868 0.051 0.000 0.864 264 T HN 0.579 nan 8.240 nan 0.000 0.425 265 A N 1.882 124.794 122.820 0.153 0.000 1.948 265 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 265 A C 2.364 180.104 177.584 0.261 0.000 1.177 265 A CA 1.694 53.864 52.037 0.222 0.000 0.636 265 A CB -0.517 18.578 19.000 0.157 0.000 0.815 265 A HN 0.474 nan 8.150 nan 0.000 0.449 266 E N 0.060 120.378 120.200 0.196 0.000 2.031 266 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 266 E C 2.020 178.735 176.600 0.191 0.000 0.994 266 E CA 1.434 57.933 56.400 0.165 0.000 0.800 266 E CB -0.605 29.181 29.700 0.143 0.000 0.752 266 E HN 0.743 nan 8.360 nan 0.000 0.447 267 I N 0.914 121.623 120.570 0.231 0.000 2.151 267 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 267 I C 2.440 178.815 176.117 0.430 0.000 1.080 267 I CA 1.205 62.698 61.300 0.321 0.000 1.339 267 I CB -0.414 37.764 38.000 0.297 0.000 1.039 267 I HN -0.014 nan 8.210 nan 0.000 0.409 268 F N 2.156 122.231 119.950 0.207 0.000 2.065 268 F HA -0.308 4.219 4.527 -0.000 0.000 0.298 268 F C 2.371 178.301 175.800 0.215 0.000 1.112 268 F CA 2.112 60.225 58.000 0.190 0.000 1.212 268 F CB -0.919 38.147 39.000 0.110 0.000 0.975 268 F HN 0.145 nan 8.300 nan 0.000 0.476 269 N N 0.415 119.100 118.700 -0.026 0.000 2.104 269 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 269 N C 1.803 177.306 175.510 -0.011 0.000 1.024 269 N CA 2.115 55.078 53.050 -0.145 0.000 0.853 269 N CB -0.087 38.389 38.487 -0.018 0.000 1.008 269 N HN 0.305 nan 8.380 nan 0.000 0.424 270 V N 0.109 120.082 119.914 0.099 0.000 2.307 270 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 270 V C 1.652 177.784 176.094 0.064 0.000 1.045 270 V CA 1.438 63.804 62.300 0.110 0.000 1.024 270 V CB -1.035 30.777 31.823 -0.018 0.000 0.651 270 V HN 0.284 nan 8.190 nan 0.000 0.449 271 Y N 0.606 120.993 120.300 0.145 0.000 2.561 271 Y HA 0.089 4.639 4.550 -0.000 0.000 0.291 271 Y C 1.815 177.876 175.900 0.267 0.000 1.141 271 Y CA 0.100 58.311 58.100 0.186 0.000 1.303 271 Y CB -0.311 38.265 38.460 0.193 0.000 1.015 271 Y HN 0.135 nan 8.280 nan 0.000 0.547 272 S N 0.564 116.405 115.700 0.234 0.000 2.573 272 S HA -0.080 4.390 4.470 -0.000 0.000 0.277 272 S C 0.927 175.797 174.600 0.450 0.000 1.346 272 S CA -0.487 57.818 58.200 0.174 0.000 1.034 272 S CB 0.348 63.420 63.200 -0.213 0.000 0.879 272 S HN 0.334 nan 8.310 nan 0.000 0.528 273 F N 2.916 123.067 119.950 0.334 0.000 2.074 273 F HA -0.026 4.501 4.527 -0.000 0.000 0.293 273 F C 1.884 177.856 175.800 0.286 0.000 1.116 273 F CA 1.734 59.937 58.000 0.339 0.000 1.212 273 F CB -0.108 39.039 39.000 0.245 0.000 0.998 273 F HN 0.741 nan 8.300 nan 0.000 0.471 274 R N -0.389 120.112 120.500 0.002 0.000 1.619 274 R HA -0.302 4.038 4.340 -0.000 0.000 0.059 274 R C -0.615 175.433 176.300 -0.421 0.000 0.951 274 R CA 2.002 57.999 56.100 -0.172 0.000 1.904 274 R CB -2.169 27.970 30.300 -0.268 0.000 0.286 274 R HN 0.565 nan 8.270 nan 0.000 0.719 275 D N -1.770 118.146 120.400 -0.806 0.000 2.639 275 D HA 0.283 4.923 4.640 -0.000 0.000 0.271 275 D C 0.131 175.825 176.300 -1.011 0.000 1.254 275 D CA -0.506 52.979 54.000 -0.859 0.000 0.810 275 D CB -0.012 40.684 40.800 -0.174 0.000 1.351 275 D HN 0.273 nan 8.370 nan 0.000 0.427 276 H N -0.681 118.155 119.070 -0.390 0.000 2.390 276 H HA -0.072 4.484 4.556 -0.000 0.000 0.298 276 H C 1.478 176.712 175.328 -0.155 0.000 1.106 276 H CA 2.630 58.606 56.048 -0.119 0.000 1.297 276 H CB -0.386 29.398 29.762 0.037 0.000 1.375 276 H HN 0.465 nan 8.280 nan 0.000 0.509 277 T N 0.629 115.145 114.554 -0.063 0.000 2.674 277 T HA -0.240 4.110 4.350 -0.000 0.000 0.265 277 T C 1.822 176.380 174.700 -0.237 0.000 1.039 277 T CA 1.312 63.310 62.100 -0.170 0.000 1.150 277 T CB -0.566 68.172 68.868 -0.217 0.000 0.864 277 T HN 0.587 nan 8.240 nan 0.000 0.427 278 W N 1.734 122.707 121.300 -0.544 0.000 2.333 278 W HA -0.272 4.388 4.660 -0.000 0.000 0.316 278 W C 2.295 178.552 176.519 -0.436 0.000 1.215 278 W CA 1.772 58.663 57.345 -0.757 0.000 1.278 278 W CB -0.709 28.095 29.460 -1.092 0.000 1.154 278 W HN 0.423 nan 8.180 nan 0.000 0.486 279 H N -0.307 118.332 119.070 -0.718 0.000 2.257 279 H HA -0.176 4.380 4.556 -0.000 0.000 0.292 279 H C 2.512 177.523 175.328 -0.528 0.000 1.075 279 H CA 3.540 59.211 56.048 -0.628 0.000 1.212 279 H CB -0.956 28.601 29.762 -0.341 0.000 1.354 279 H HN 0.142 nan 8.280 nan 0.000 0.497 280 G N 1.377 110.050 108.800 -0.211 0.000 2.505 280 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 280 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 280 G C 1.827 176.548 174.900 -0.298 0.000 1.145 280 G CA 0.942 45.929 45.100 -0.188 0.000 0.761 280 G HN 0.435 nan 8.290 nan 0.000 0.571 281 L N 0.375 121.381 121.223 -0.363 0.000 1.948 281 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 281 L C 2.862 179.437 176.870 -0.492 0.000 1.074 281 L CA 2.213 56.857 54.840 -0.326 0.000 0.753 281 L CB -0.614 41.306 42.059 -0.233 0.000 0.888 281 L HN 0.250 nan 8.230 nan 0.000 0.432 282 R N -0.397 119.558 120.500 -0.908 0.000 2.133 282 R HA -0.204 4.136 4.340 -0.000 0.000 0.247 282 R C 1.907 177.856 176.300 -0.584 0.000 1.151 282 R CA 2.369 57.916 56.100 -0.921 0.000 0.971 282 R CB -0.720 28.708 30.300 -1.454 0.000 0.866 282 R HN 0.468 nan 8.270 nan 0.000 0.447 283 T N 0.891 115.106 114.554 -0.566 0.000 2.614 283 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 283 T C 1.887 176.437 174.700 -0.250 0.000 1.055 283 T CA 1.921 63.785 62.100 -0.395 0.000 1.162 283 T CB -0.551 68.086 68.868 -0.384 0.000 0.863 283 T HN 0.485 nan 8.240 nan 0.000 0.414 284 A N 0.971 123.663 122.820 -0.213 0.000 1.997 284 A HA -0.124 4.196 4.320 -0.000 0.000 0.221 284 A C 2.274 179.787 177.584 -0.118 0.000 1.172 284 A CA 1.524 53.484 52.037 -0.129 0.000 0.645 284 A CB -0.971 17.972 19.000 -0.096 0.000 0.813 284 A HN 0.596 nan 8.150 nan 0.000 0.454 285 I N -1.393 119.078 120.570 -0.164 0.000 2.233 285 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 285 I C 2.589 178.638 176.117 -0.114 0.000 1.093 285 I CA 1.392 62.613 61.300 -0.132 0.000 1.380 285 I CB -0.368 37.534 38.000 -0.163 0.000 1.067 285 I HN 0.236 nan 8.210 nan 0.000 0.413 286 R N 0.823 121.236 120.500 -0.146 0.000 2.235 286 R HA -0.057 4.283 4.340 -0.000 0.000 0.213 286 R C 1.779 178.041 176.300 -0.063 0.000 1.059 286 R CA 0.634 56.671 56.100 -0.106 0.000 0.997 286 R CB -0.358 29.862 30.300 -0.133 0.000 0.884 286 R HN 0.349 nan 8.270 nan 0.000 0.462 287 N N 0.575 119.235 118.700 -0.067 0.000 2.381 287 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 287 N C 1.263 176.757 175.510 -0.025 0.000 1.025 287 N CA 0.963 53.990 53.050 -0.039 0.000 0.888 287 N CB 0.055 38.517 38.487 -0.040 0.000 0.965 287 N HN 0.022 nan 8.380 nan 0.000 0.438 288 R N -0.106 120.376 120.500 -0.031 0.000 2.240 288 R HA 0.112 4.452 4.340 -0.000 0.000 0.203 288 R C 0.778 177.068 176.300 -0.016 0.000 1.011 288 R CA 0.354 56.441 56.100 -0.021 0.000 1.007 288 R CB -0.568 29.718 30.300 -0.023 0.000 0.911 288 R HN 0.342 nan 8.270 nan 0.000 0.468 289 T N -3.727 110.816 114.554 -0.019 0.000 2.910 289 T HA 0.195 4.545 4.350 -0.000 0.000 0.279 289 T C 1.260 175.963 174.700 0.005 0.000 0.989 289 T CA -0.172 61.922 62.100 -0.010 0.000 0.968 289 T CB 1.494 70.353 68.868 -0.016 0.000 1.135 289 T HN 0.157 nan 8.240 nan 0.000 0.562 290 T N -1.113 113.449 114.554 0.014 0.000 3.113 290 T HA 0.184 4.534 4.350 -0.000 0.000 0.256 290 T C 0.721 175.450 174.700 0.048 0.000 1.131 290 T CA -0.228 61.889 62.100 0.029 0.000 1.074 290 T CB -0.326 68.559 68.868 0.029 0.000 0.944 290 T HN 0.310 nan 8.240 nan 0.000 0.516 291 L N 2.779 124.032 121.223 0.049 0.000 2.418 291 L HA 0.429 4.769 4.340 -0.000 0.000 0.265 291 L C -2.130 174.800 176.870 0.101 0.000 1.143 291 L CA -2.568 52.325 54.840 0.088 0.000 0.809 291 L CB 0.175 42.288 42.059 0.089 0.000 1.124 291 L HN 0.066 nan 8.230 nan 0.000 0.456 292 P HA 0.042 nan 4.420 nan 0.000 0.271 292 P C 0.262 177.683 177.300 0.202 0.000 1.233 292 P CA -0.267 62.931 63.100 0.163 0.000 0.764 292 P CB 0.239 32.035 31.700 0.159 0.000 0.825 293 N N 4.606 123.361 118.700 0.092 0.000 2.334 293 N HA -0.210 4.530 4.740 -0.000 0.000 0.187 293 N C 1.021 176.533 175.510 0.004 0.000 1.016 293 N CA 1.831 54.884 53.050 0.005 0.000 0.879 293 N CB -0.716 37.750 38.487 -0.035 0.000 0.965 293 N HN 0.601 nan 8.380 nan 0.000 0.438 294 M N -3.588 116.141 119.600 0.214 0.000 3.011 294 M HA 0.362 4.842 4.480 -0.000 0.000 0.478 294 M C -1.188 175.465 176.300 0.588 0.000 1.360 294 M CA -0.272 55.226 55.300 0.329 0.000 0.835 294 M CB 0.600 33.245 32.600 0.075 0.000 1.749 294 M HN -0.155 nan 8.290 nan 0.000 0.594 295 L N 2.588 124.041 121.223 0.383 0.000 2.439 295 L HA 0.643 4.983 4.340 -0.000 0.000 0.270 295 L C -2.507 174.075 176.870 -0.478 0.000 0.972 295 L CA -1.685 53.142 54.840 -0.022 0.000 0.836 295 L CB 2.382 44.466 42.059 0.041 0.000 1.255 295 L HN -0.153 nan 8.230 nan 0.000 0.404 296 P HA -0.083 nan 4.420 nan 0.000 0.255 296 P C -2.235 174.861 177.300 -0.339 0.000 1.151 296 P CA -0.355 62.238 63.100 -0.845 0.000 0.767 296 P CB -0.319 31.105 31.700 -0.460 0.000 0.736 297 P HA 0.001 nan 4.420 nan 0.000 0.265 297 P C 0.796 178.041 177.300 -0.091 0.000 1.193 297 P CA 0.297 63.371 63.100 -0.043 0.000 0.765 297 P CB 0.800 32.538 31.700 0.064 0.000 0.823 298 I N 1.873 122.349 120.570 -0.157 0.000 2.142 298 I HA -0.180 3.990 4.170 -0.000 0.000 0.240 298 I C 0.971 176.827 176.117 -0.434 0.000 1.078 298 I CA 1.404 62.479 61.300 -0.374 0.000 1.343 298 I CB -0.537 37.085 38.000 -0.630 0.000 1.046 298 I HN 0.171 nan 8.210 nan 0.000 0.405 299 F N 2.647 122.638 119.950 0.067 0.000 2.404 299 F HA 0.342 4.869 4.527 -0.000 0.000 0.354 299 F C -1.946 173.887 175.800 0.055 0.000 1.122 299 F CA -3.293 54.751 58.000 0.074 0.000 1.080 299 F CB -0.179 38.862 39.000 0.069 0.000 1.131 299 F HN -0.164 nan 8.300 nan 0.000 0.471 300 P HA 0.060 nan 4.420 nan 0.000 0.262 300 P C -2.517 174.860 177.300 0.128 0.000 1.199 300 P CA -0.753 62.424 63.100 0.128 0.000 0.763 300 P CB 0.079 31.833 31.700 0.091 0.000 0.790 301 P HA -0.002 nan 4.420 nan 0.000 0.271 301 P C 0.766 178.094 177.300 0.047 0.000 1.238 301 P CA 0.210 63.356 63.100 0.076 0.000 0.794 301 P CB 0.321 32.058 31.700 0.061 0.000 0.959 302 N N -0.601 118.113 118.700 0.024 0.000 2.116 302 N HA 0.021 4.761 4.740 -0.000 0.000 0.230 302 N C -1.020 174.463 175.510 -0.045 0.000 1.326 302 N CA -0.159 52.886 53.050 -0.007 0.000 0.867 302 N CB 0.442 38.933 38.487 0.008 0.000 1.174 302 N HN 0.379 nan 8.380 nan 0.000 0.506 303 D N 0.598 120.979 120.400 -0.032 0.000 2.185 303 D HA 0.174 4.814 4.640 -0.000 0.000 0.247 303 D C 0.903 177.170 176.300 -0.056 0.000 1.027 303 D CA -0.627 53.343 54.000 -0.049 0.000 0.861 303 D CB 2.873 43.656 40.800 -0.028 0.000 1.202 303 D HN -0.108 nan 8.370 nan 0.000 0.453 304 R N 1.470 121.928 120.500 -0.070 0.000 2.136 304 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 304 R C 0.907 177.167 176.300 -0.066 0.000 1.131 304 R CA 2.293 58.349 56.100 -0.074 0.000 0.937 304 R CB -0.280 29.977 30.300 -0.073 0.000 0.863 304 R HN 0.512 nan 8.270 nan 0.000 0.435 305 D N -0.016 120.353 120.400 -0.052 0.000 2.126 305 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 305 D C 2.020 178.295 176.300 -0.042 0.000 1.001 305 D CA 1.846 55.820 54.000 -0.044 0.000 0.841 305 D CB -0.495 40.286 40.800 -0.031 0.000 0.949 305 D HN 0.257 nan 8.370 nan 0.000 0.446 306 S N 0.556 116.238 115.700 -0.030 0.000 2.354 306 S HA -0.131 4.339 4.470 -0.000 0.000 0.219 306 S C 2.127 176.708 174.600 -0.033 0.000 1.035 306 S CA 0.674 58.864 58.200 -0.017 0.000 1.037 306 S CB -0.190 63.013 63.200 0.005 0.000 0.956 306 S HN 0.190 nan 8.310 nan 0.000 0.428 307 I N 1.768 122.307 120.570 -0.052 0.000 2.118 307 I HA -0.183 3.987 4.170 -0.000 0.000 0.241 307 I C 2.317 178.350 176.117 -0.139 0.000 1.070 307 I CA 1.258 62.500 61.300 -0.096 0.000 1.327 307 I CB -1.663 36.261 38.000 -0.127 0.000 1.034 307 I HN 0.279 nan 8.210 nan 0.000 0.405 308 L N 0.561 121.707 121.223 -0.128 0.000 1.944 308 L HA -0.308 4.032 4.340 -0.000 0.000 0.218 308 L C 2.692 179.506 176.870 -0.094 0.000 1.075 308 L CA 2.547 57.312 54.840 -0.125 0.000 0.767 308 L CB -0.688 41.314 42.059 -0.094 0.000 0.890 308 L HN 0.280 nan 8.230 nan 0.000 0.434 309 T N 0.565 115.079 114.554 -0.066 0.000 2.680 309 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 309 T C 1.844 176.518 174.700 -0.044 0.000 1.033 309 T CA 1.935 64.005 62.100 -0.049 0.000 1.152 309 T CB -0.462 68.381 68.868 -0.041 0.000 0.859 309 T HN 0.232 nan 8.240 nan 0.000 0.452 310 L N -0.057 121.140 121.223 -0.043 0.000 1.994 310 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 310 L C 2.567 179.424 176.870 -0.022 0.000 1.071 310 L CA 1.196 56.023 54.840 -0.022 0.000 0.745 310 L CB -0.597 41.463 42.059 0.001 0.000 0.892 310 L HN 0.220 nan 8.230 nan 0.000 0.431 311 L N -1.002 120.181 121.223 -0.067 0.000 2.012 311 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 311 L C 2.517 179.369 176.870 -0.029 0.000 1.073 311 L CA 1.111 55.910 54.840 -0.068 0.000 0.748 311 L CB -0.453 41.511 42.059 -0.158 0.000 0.891 311 L HN 0.203 nan 8.230 nan 0.000 0.431 312 L N -0.773 120.428 121.223 -0.037 0.000 1.989 312 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 312 L C 2.360 179.239 176.870 0.015 0.000 1.071 312 L CA 1.739 56.568 54.840 -0.019 0.000 0.749 312 L CB -0.904 41.137 42.059 -0.030 0.000 0.890 312 L HN 0.166 nan 8.230 nan 0.000 0.431 313 L N -1.407 119.832 121.223 0.028 0.000 2.079 313 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 313 L C 2.727 179.684 176.870 0.145 0.000 1.081 313 L CA 1.484 56.384 54.840 0.099 0.000 0.752 313 L CB -0.335 41.754 42.059 0.050 0.000 0.896 313 L HN 0.379 nan 8.230 nan 0.000 0.433 314 S N -1.072 114.671 115.700 0.072 0.000 2.356 314 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 314 S C 1.916 176.523 174.600 0.012 0.000 1.032 314 S CA 2.067 60.297 58.200 0.050 0.000 1.005 314 S CB -0.129 63.098 63.200 0.046 0.000 0.867 314 S HN 0.452 nan 8.310 nan 0.000 0.449 315 T N 2.521 117.085 114.554 0.016 0.000 2.737 315 T HA -0.020 4.330 4.350 -0.000 0.000 0.265 315 T C 1.689 176.391 174.700 0.004 0.000 1.038 315 T CA 1.342 63.444 62.100 0.004 0.000 1.144 315 T CB -0.523 68.348 68.868 0.006 0.000 0.866 315 T HN 0.322 nan 8.240 nan 0.000 0.434 316 L N 1.199 122.443 121.223 0.035 0.000 2.261 316 L HA 0.048 4.388 4.340 -0.000 0.000 0.216 316 L C 2.404 179.325 176.870 0.085 0.000 1.114 316 L CA 1.340 56.229 54.840 0.081 0.000 0.777 316 L CB -0.740 41.387 42.059 0.114 0.000 0.910 316 L HN 0.218 nan 8.230 nan 0.000 0.440 317 A N -0.803 121.944 122.820 -0.123 0.000 1.854 317 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 317 A C 1.989 179.353 177.584 -0.366 0.000 1.192 317 A CA 1.642 53.278 52.037 -0.669 0.000 0.611 317 A CB -0.700 17.930 19.000 -0.616 0.000 0.832 317 A HN 0.508 nan 8.150 nan 0.000 0.442 318 D N -0.030 120.266 120.400 -0.174 0.000 2.149 318 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 318 D C 2.058 178.338 176.300 -0.033 0.000 0.990 318 D CA 1.444 55.385 54.000 -0.099 0.000 0.839 318 D CB -0.422 40.346 40.800 -0.054 0.000 0.948 318 D HN 0.219 nan 8.370 nan 0.000 0.460 319 V N 0.797 120.731 119.914 0.033 0.000 2.295 319 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 319 V C 2.254 178.447 176.094 0.165 0.000 1.049 319 V CA 1.419 63.785 62.300 0.110 0.000 1.024 319 V CB -0.679 31.234 31.823 0.150 0.000 0.648 319 V HN 0.166 nan 8.190 nan 0.000 0.447 320 Y N 1.373 121.722 120.300 0.081 0.000 2.207 320 Y HA -0.286 4.264 4.550 -0.000 0.000 0.287 320 Y C 2.606 178.382 175.900 -0.207 0.000 1.156 320 Y CA 2.310 60.331 58.100 -0.130 0.000 1.182 320 Y CB -0.532 37.768 38.460 -0.266 0.000 0.979 320 Y HN 0.263 nan 8.280 nan 0.000 0.521 321 T N 0.010 114.546 114.554 -0.031 0.000 2.674 321 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 321 T C 2.060 176.694 174.700 -0.111 0.000 1.039 321 T CA 2.439 64.492 62.100 -0.079 0.000 1.150 321 T CB -0.972 67.843 68.868 -0.089 0.000 0.864 321 T HN 0.390 nan 8.240 nan 0.000 0.427 322 V N 0.481 120.346 119.914 -0.081 0.000 2.358 322 V HA 0.008 4.128 4.120 -0.000 0.000 0.246 322 V C 2.351 178.386 176.094 -0.098 0.000 1.047 322 V CA 1.372 63.629 62.300 -0.072 0.000 1.035 322 V CB -1.161 30.637 31.823 -0.041 0.000 0.658 322 V HN 0.400 nan 8.190 nan 0.000 0.452 323 L N -0.486 120.667 121.223 -0.117 0.000 2.217 323 L HA 0.118 4.458 4.340 -0.000 0.000 0.211 323 L C 1.428 178.155 176.870 -0.238 0.000 1.107 323 L CA 0.831 55.585 54.840 -0.143 0.000 0.783 323 L CB -0.459 41.551 42.059 -0.082 0.000 0.919 323 L HN 0.400 nan 8.230 nan 0.000 0.442 324 R N -1.821 118.460 120.500 -0.366 0.000 3.525 324 R HA -0.118 4.222 4.340 -0.000 0.000 0.276 324 R C -2.228 173.812 176.300 -0.434 0.000 1.116 324 R CA 0.171 56.028 56.100 -0.404 0.000 0.745 324 R CB -2.562 27.605 30.300 -0.221 0.000 1.185 324 R HN 0.350 nan 8.270 nan 0.000 0.454 325 P HA 0.111 nan 4.420 nan 0.000 0.269 325 P C -0.400 176.768 177.300 -0.221 0.000 1.209 325 P CA 0.446 63.321 63.100 -0.375 0.000 0.776 325 P CB 0.725 32.128 31.700 -0.495 0.000 0.876 326 E N 2.104 122.307 120.200 0.004 0.000 2.255 326 E HA 0.476 4.826 4.350 -0.000 0.000 0.256 326 E C -0.759 175.978 176.600 0.228 0.000 0.887 326 E CA -0.422 55.984 56.400 0.010 0.000 0.782 326 E CB 0.944 30.629 29.700 -0.026 0.000 1.214 326 E HN 0.426 nan 8.360 nan 0.000 0.417 327 F N 0.433 120.415 119.950 0.054 0.000 2.745 327 F HA 0.836 5.363 4.527 -0.000 0.000 0.316 327 F C -1.069 174.790 175.800 0.099 0.000 1.155 327 F CA -1.399 56.676 58.000 0.125 0.000 0.937 327 F CB 0.519 39.692 39.000 0.288 0.000 1.361 327 F HN 0.321 nan 8.300 nan 0.000 0.472 328 A N 1.214 124.171 122.820 0.228 0.000 2.269 328 A HA 0.914 5.234 4.320 -0.000 0.000 0.327 328 A C -1.008 176.622 177.584 0.077 0.000 1.112 328 A CA -0.797 51.285 52.037 0.074 0.000 0.865 328 A CB 1.356 20.405 19.000 0.082 0.000 1.227 328 A HN 0.895 nan 8.150 nan 0.000 0.498 329 M N 0.534 120.123 119.600 -0.019 0.000 2.421 329 M HA 0.285 4.765 4.480 -0.000 0.000 0.287 329 M C -1.417 174.859 176.300 -0.040 0.000 1.183 329 M CA -0.514 54.744 55.300 -0.071 0.000 0.916 329 M CB 1.953 34.535 32.600 -0.031 0.000 1.701 329 M HN 0.827 nan 8.290 nan 0.000 0.470 330 H N 1.761 120.862 119.070 0.052 0.000 3.091 330 H HA 0.275 4.831 4.556 -0.000 0.000 0.289 330 H C 1.149 176.489 175.328 0.020 0.000 0.995 330 H CA 1.470 57.538 56.048 0.033 0.000 1.461 330 H CB 0.157 29.937 29.762 0.029 0.000 1.510 330 H HN 0.952 nan 8.280 nan 0.000 0.546 331 G N 2.590 111.473 108.800 0.137 0.000 2.175 331 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 331 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 331 G C -0.033 174.897 174.900 0.050 0.000 0.982 331 G CA 0.134 45.279 45.100 0.075 0.000 0.641 331 G HN 0.557 nan 8.290 nan 0.000 0.527 332 V N 1.410 121.349 119.914 0.042 0.000 2.398 332 V HA 0.555 4.675 4.120 -0.000 0.000 0.286 332 V C 0.005 176.096 176.094 -0.006 0.000 1.026 332 V CA -0.868 61.445 62.300 0.022 0.000 0.868 332 V CB 1.770 33.596 31.823 0.006 0.000 0.982 332 V HN 0.316 nan 8.190 nan 0.000 0.443 333 N N 4.900 123.576 118.700 -0.041 0.000 2.623 333 N HA 0.398 5.138 4.740 -0.000 0.000 0.256 333 N C -2.767 172.610 175.510 -0.221 0.000 1.045 333 N CA -1.133 51.864 53.050 -0.089 0.000 0.863 333 N CB 2.397 40.843 38.487 -0.068 0.000 1.182 333 N HN 0.422 nan 8.380 nan 0.000 0.523 334 P HA 0.101 nan 4.420 nan 0.000 0.266 334 P C -0.224 176.930 177.300 -0.242 0.000 1.215 334 P CA -0.013 62.938 63.100 -0.249 0.000 0.763 334 P CB 0.474 32.125 31.700 -0.081 0.000 0.806 335 M N 7.115 126.499 119.600 -0.360 0.000 2.069 335 M HA 0.180 4.660 4.480 -0.000 0.000 0.349 335 M C -1.427 174.881 176.300 0.012 0.000 1.194 335 M CA -2.843 52.377 55.300 -0.133 0.000 1.081 335 M CB 1.281 33.825 32.600 -0.093 0.000 1.500 335 M HN 0.220 nan 8.290 nan 0.000 0.438 336 P HA -0.017 nan 4.420 nan 0.000 0.222 336 P C 0.663 177.991 177.300 0.046 0.000 1.147 336 P CA 0.393 63.511 63.100 0.030 0.000 0.790 336 P CB -0.052 31.654 31.700 0.010 0.000 0.780 337 G N 2.075 110.905 108.800 0.049 0.000 2.391 337 G HA2 0.008 3.968 3.960 -0.000 0.000 0.234 337 G HA3 0.008 3.968 3.960 -0.000 0.000 0.234 337 G C -1.357 173.583 174.900 0.067 0.000 1.284 337 G CA -0.561 44.569 45.100 0.050 0.000 0.873 337 G HN 0.083 nan 8.290 nan 0.000 0.549 338 P HA -0.167 nan 4.420 nan 0.000 0.223 338 P C 0.347 177.690 177.300 0.073 0.000 1.153 338 P CA 0.936 64.068 63.100 0.053 0.000 0.853 338 P CB -0.102 31.621 31.700 0.039 0.000 0.777 339 L N -1.741 119.536 121.223 0.090 0.000 2.178 339 L HA -0.110 4.230 4.340 -0.000 0.000 0.544 339 L C 0.323 177.242 176.870 0.081 0.000 1.001 339 L CA 0.847 55.755 54.840 0.114 0.000 1.227 339 L CB -2.031 40.122 42.059 0.157 0.000 1.826 339 L HN 0.121 nan 8.230 nan 0.000 0.953 340 T N -0.140 114.447 114.554 0.057 0.000 2.930 340 T HA 0.858 5.208 4.350 -0.000 0.000 0.290 340 T C 1.170 175.873 174.700 0.005 0.000 1.052 340 T CA -0.304 61.815 62.100 0.032 0.000 1.017 340 T CB 1.908 70.788 68.868 0.020 0.000 1.137 340 T HN 1.006 nan 8.240 nan 0.000 0.511 341 A N 0.770 123.592 122.820 0.003 0.000 1.986 341 A HA 0.110 4.430 4.320 -0.000 0.000 0.220 341 A C 2.505 180.057 177.584 -0.053 0.000 1.171 341 A CA 2.218 54.244 52.037 -0.018 0.000 0.640 341 A CB -1.539 17.458 19.000 -0.005 0.000 0.811 341 A HN 1.290 nan 8.150 nan 0.000 0.451 342 A N 0.263 123.060 122.820 -0.038 0.000 1.845 342 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 342 A C 2.095 179.634 177.584 -0.074 0.000 1.195 342 A CA 1.571 53.581 52.037 -0.044 0.000 0.616 342 A CB -0.691 18.296 19.000 -0.021 0.000 0.832 342 A HN 0.520 nan 8.150 nan 0.000 0.443 343 I N -0.101 120.428 120.570 -0.069 0.000 2.264 343 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 343 I C 2.918 178.857 176.117 -0.296 0.000 1.111 343 I CA 1.088 62.334 61.300 -0.091 0.000 1.382 343 I CB -0.473 37.529 38.000 0.004 0.000 1.060 343 I HN 0.374 nan 8.210 nan 0.000 0.418 344 A N 1.099 123.678 122.820 -0.401 0.000 1.855 344 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 344 A C 2.364 179.723 177.584 -0.376 0.000 1.191 344 A CA 1.930 53.513 52.037 -0.757 0.000 0.613 344 A CB -0.599 18.147 19.000 -0.424 0.000 0.829 344 A HN 0.307 nan 8.150 nan 0.000 0.442 345 R N 0.269 120.657 120.500 -0.186 0.000 2.112 345 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 345 R C 2.149 178.430 176.300 -0.033 0.000 1.137 345 R CA 2.423 58.468 56.100 -0.093 0.000 0.944 345 R CB -0.979 29.274 30.300 -0.079 0.000 0.857 345 R HN 0.415 nan 8.270 nan 0.000 0.435 346 A N 0.117 122.891 122.820 -0.078 0.000 1.948 346 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 346 A C 2.411 179.959 177.584 -0.061 0.000 1.177 346 A CA 2.034 54.040 52.037 -0.051 0.000 0.636 346 A CB -1.148 17.823 19.000 -0.049 0.000 0.815 346 A HN 0.586 nan 8.150 nan 0.000 0.449 347 A N -1.371 121.334 122.820 -0.191 0.000 1.978 347 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 347 A C 1.001 178.449 177.584 -0.227 0.000 1.170 347 A CA 0.850 52.695 52.037 -0.320 0.000 0.636 347 A CB -0.697 17.812 19.000 -0.818 0.000 0.810 347 A HN 0.527 nan 8.150 nan 0.000 0.448 348 Y N 0.717 120.944 120.300 -0.122 0.000 2.603 348 Y HA 0.361 4.911 4.550 -0.000 0.000 0.341 348 Y C 0.806 176.735 175.900 0.049 0.000 1.272 348 Y CA 0.114 58.249 58.100 0.058 0.000 1.891 348 Y CB -1.239 37.260 38.460 0.065 0.000 1.910 348 Y HN 0.110 nan 8.280 nan 0.000 0.432 349 V N 0.000 119.989 119.914 0.125 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.352 62.300 0.087 0.000 1.235 349 V CB 0.000 31.878 31.823 0.091 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556