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_I 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 0.000 176.261 176.300 -0.064 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.039 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 2 D N 0.664 121.014 120.400 -0.084 0.000 2.117 2 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 2 D C 1.704 177.893 176.300 -0.184 0.000 0.982 2 D CA 2.526 56.456 54.000 -0.116 0.000 0.828 2 D CB -0.604 40.126 40.800 -0.116 0.000 0.967 2 D HN 0.711 nan 8.370 nan 0.000 0.464 3 T N 0.141 114.568 114.554 -0.213 0.000 2.653 3 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 3 T C 2.285 176.860 174.700 -0.208 0.000 1.035 3 T CA 1.127 63.028 62.100 -0.332 0.000 1.154 3 T CB -0.832 67.951 68.868 -0.142 0.000 0.862 3 T HN 0.168 nan 8.240 nan 0.000 0.441 4 I N 2.178 122.695 120.570 -0.088 0.000 2.208 4 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 4 I C 3.230 179.321 176.117 -0.044 0.000 1.097 4 I CA 1.378 62.660 61.300 -0.031 0.000 1.363 4 I CB -0.695 37.295 38.000 -0.016 0.000 1.051 4 I HN 0.398 nan 8.210 nan 0.000 0.413 5 A N 0.688 123.462 122.820 -0.076 0.000 1.855 5 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 5 A C 2.581 180.117 177.584 -0.080 0.000 1.191 5 A CA 1.783 53.778 52.037 -0.070 0.000 0.613 5 A CB -1.001 17.952 19.000 -0.078 0.000 0.829 5 A HN 0.413 nan 8.150 nan 0.000 0.442 6 A N -0.127 122.599 122.820 -0.157 0.000 1.917 6 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 6 A C 2.257 179.823 177.584 -0.029 0.000 1.182 6 A CA 1.800 53.735 52.037 -0.170 0.000 0.633 6 A CB -0.522 18.191 19.000 -0.479 0.000 0.819 6 A HN 0.581 nan 8.150 nan 0.000 0.448 7 R N -0.724 119.780 120.500 0.007 0.000 2.070 7 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 7 R C 2.605 178.943 176.300 0.064 0.000 1.138 7 R CA 1.339 57.515 56.100 0.127 0.000 0.936 7 R CB -0.665 29.721 30.300 0.143 0.000 0.839 7 R HN 0.502 nan 8.270 nan 0.000 0.429 8 A N 1.541 124.378 122.820 0.027 0.000 1.903 8 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 8 A C 2.140 179.723 177.584 -0.001 0.000 1.191 8 A CA 1.578 53.619 52.037 0.007 0.000 0.638 8 A CB -0.712 18.287 19.000 -0.002 0.000 0.823 8 A HN 0.280 nan 8.150 nan 0.000 0.451 9 L N -0.119 121.105 121.223 0.002 0.000 1.971 9 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 9 L C 2.555 179.436 176.870 0.019 0.000 1.072 9 L CA 3.048 57.891 54.840 0.005 0.000 0.758 9 L CB -1.303 40.758 42.059 0.004 0.000 0.889 9 L HN 0.447 nan 8.230 nan 0.000 0.433 10 T N -0.763 113.818 114.554 0.044 0.000 2.624 10 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 10 T C 1.942 176.657 174.700 0.025 0.000 1.041 10 T CA 2.131 64.264 62.100 0.055 0.000 1.159 10 T CB -0.840 68.090 68.868 0.103 0.000 0.863 10 T HN 0.251 nan 8.240 nan 0.000 0.434 11 V N 1.572 121.495 119.914 0.015 0.000 2.252 11 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 11 V C 2.550 178.623 176.094 -0.035 0.000 1.056 11 V CA 2.104 64.394 62.300 -0.016 0.000 1.022 11 V CB -0.735 31.067 31.823 -0.034 0.000 0.641 11 V HN 0.470 nan 8.190 nan 0.000 0.445 12 M N -0.668 118.910 119.600 -0.037 0.000 2.065 12 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 12 M C 2.477 178.765 176.300 -0.021 0.000 1.069 12 M CA 1.979 57.254 55.300 -0.042 0.000 1.110 12 M CB -0.590 31.988 32.600 -0.038 0.000 1.328 12 M HN 0.208 nan 8.290 nan 0.000 0.405 13 R N 0.169 120.665 120.500 -0.006 0.000 2.139 13 R HA -0.152 4.188 4.340 -0.000 0.000 0.243 13 R C 2.272 178.570 176.300 -0.003 0.000 1.145 13 R CA 1.517 57.618 56.100 0.002 0.000 0.976 13 R CB -0.661 29.648 30.300 0.014 0.000 0.866 13 R HN 0.426 nan 8.270 nan 0.000 0.449 14 A N 0.717 123.532 122.820 -0.007 0.000 1.872 14 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 14 A C 2.398 179.969 177.584 -0.020 0.000 1.187 14 A CA 1.230 53.260 52.037 -0.012 0.000 0.614 14 A CB -0.690 18.303 19.000 -0.013 0.000 0.826 14 A HN 0.448 nan 8.150 nan 0.000 0.442 15 C N -0.523 118.759 119.300 -0.030 0.000 2.419 15 C HA 0.061 4.521 4.460 -0.000 0.000 0.281 15 C C 3.166 178.142 174.990 -0.023 0.000 1.336 15 C CA 0.573 59.571 59.018 -0.035 0.000 1.770 15 C CB -1.478 26.233 27.740 -0.049 0.000 1.929 15 C HN 0.680 nan 8.230 nan 0.000 0.509 16 A N 0.792 123.602 122.820 -0.016 0.000 2.070 16 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 16 A C 2.078 179.652 177.584 -0.017 0.000 1.159 16 A CA 2.104 54.133 52.037 -0.013 0.000 0.656 16 A CB -0.791 18.204 19.000 -0.008 0.000 0.800 16 A HN 0.617 nan 8.150 nan 0.000 0.453 17 T N -0.197 114.347 114.554 -0.017 0.000 3.118 17 T HA 0.098 4.448 4.350 -0.000 0.000 0.260 17 T C 0.324 175.012 174.700 -0.021 0.000 1.139 17 T CA 0.271 62.361 62.100 -0.016 0.000 1.085 17 T CB -0.234 68.627 68.868 -0.013 0.000 0.934 17 T HN 0.143 nan 8.240 nan 0.000 0.518 18 L N 2.410 123.618 121.223 -0.025 0.000 2.437 18 L HA 0.322 4.662 4.340 -0.000 0.000 0.243 18 L C 1.589 178.439 176.870 -0.033 0.000 1.346 18 L CA 0.209 55.032 54.840 -0.029 0.000 1.233 18 L CB -0.395 41.645 42.059 -0.032 0.000 1.436 18 L HN 0.043 nan 8.230 nan 0.000 0.416 19 Q N 0.237 120.019 119.800 -0.030 0.000 2.224 19 Q HA 0.004 4.344 4.340 -0.000 0.000 0.203 19 Q C 0.770 176.750 176.000 -0.034 0.000 0.970 19 Q CA 1.255 57.038 55.803 -0.033 0.000 0.865 19 Q CB 0.442 29.164 28.738 -0.027 0.000 0.922 19 Q HN 0.651 nan 8.270 nan 0.000 0.445 20 E N -3.287 116.895 120.200 -0.030 0.000 2.446 20 E HA 0.535 4.885 4.350 -0.000 0.000 0.267 20 E C -0.348 176.236 176.600 -0.027 0.000 0.955 20 E CA 0.078 56.461 56.400 -0.028 0.000 0.842 20 E CB 1.019 30.705 29.700 -0.023 0.000 1.504 20 E HN 0.014 nan 8.360 nan 0.000 0.438 21 A N 0.804 123.609 122.820 -0.025 0.000 1.826 21 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 21 A C 1.609 179.181 177.584 -0.019 0.000 1.212 21 A CA 1.416 53.439 52.037 -0.023 0.000 0.605 21 A CB -0.510 18.477 19.000 -0.021 0.000 0.861 21 A HN 0.584 nan 8.150 nan 0.000 0.447 22 R N 0.344 120.834 120.500 -0.017 0.000 2.363 22 R HA 0.227 4.567 4.340 -0.000 0.000 0.236 22 R C -0.162 176.130 176.300 -0.014 0.000 0.966 22 R CA -0.135 55.957 56.100 -0.014 0.000 1.100 22 R CB -1.007 29.285 30.300 -0.013 0.000 1.125 22 R HN 0.515 nan 8.270 nan 0.000 0.514 23 I N -0.551 120.010 120.570 -0.015 0.000 2.754 23 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 23 I C 0.462 176.571 176.117 -0.013 0.000 1.166 23 I CA -1.430 59.861 61.300 -0.014 0.000 1.417 23 I CB 0.610 38.600 38.000 -0.015 0.000 1.382 23 I HN -0.083 nan 8.210 nan 0.000 0.588 24 V N 4.903 124.810 119.914 -0.011 0.000 2.465 24 V HA 0.526 4.646 4.120 -0.000 0.000 0.279 24 V C 0.055 176.143 176.094 -0.011 0.000 1.045 24 V CA -0.595 61.698 62.300 -0.011 0.000 0.938 24 V CB 1.037 32.854 31.823 -0.009 0.000 0.986 24 V HN 0.765 nan 8.190 nan 0.000 0.467 25 L N 2.833 124.049 121.223 -0.011 0.000 2.578 25 L HA 0.602 4.942 4.340 -0.000 0.000 0.259 25 L C 0.549 177.413 176.870 -0.009 0.000 1.082 25 L CA -0.466 54.367 54.840 -0.011 0.000 0.843 25 L CB 1.444 43.496 42.059 -0.012 0.000 1.535 25 L HN 1.021 nan 8.230 nan 0.000 0.510 26 E N -0.493 119.702 120.200 -0.009 0.000 2.313 26 E HA 0.287 4.637 4.350 -0.000 0.000 0.276 26 E C 0.712 177.306 176.600 -0.010 0.000 1.031 26 E CA 0.146 56.541 56.400 -0.008 0.000 0.857 26 E CB 1.543 31.239 29.700 -0.007 0.000 1.040 26 E HN 0.639 nan 8.360 nan 0.000 0.408 27 A N 5.219 128.033 122.820 -0.010 0.000 1.863 27 A HA -0.377 3.943 4.320 -0.000 0.000 0.218 27 A C 1.650 179.226 177.584 -0.013 0.000 1.233 27 A CA 2.482 54.512 52.037 -0.011 0.000 0.655 27 A CB -1.185 17.808 19.000 -0.011 0.000 0.839 27 A HN 0.972 nan 8.150 nan 0.000 0.454 28 N N -0.309 118.382 118.700 -0.014 0.000 2.049 28 N HA -0.215 4.525 4.740 -0.000 0.000 0.198 28 N C 1.665 177.166 175.510 -0.015 0.000 1.030 28 N CA 1.813 54.853 53.050 -0.017 0.000 0.870 28 N CB -0.605 37.873 38.487 -0.016 0.000 1.045 28 N HN 0.307 nan 8.380 nan 0.000 0.434 29 V N 2.139 122.046 119.914 -0.012 0.000 2.222 29 V HA -0.344 3.776 4.120 -0.000 0.000 0.252 29 V C 2.503 178.589 176.094 -0.013 0.000 1.060 29 V CA 1.814 64.108 62.300 -0.011 0.000 1.027 29 V CB -0.605 31.212 31.823 -0.010 0.000 0.644 29 V HN 0.356 nan 8.190 nan 0.000 0.448 30 M N -0.388 119.204 119.600 -0.013 0.000 2.110 30 M HA -0.265 4.215 4.480 -0.000 0.000 0.257 30 M C 2.282 178.575 176.300 -0.013 0.000 1.071 30 M CA 2.466 57.758 55.300 -0.013 0.000 1.096 30 M CB -1.384 31.209 32.600 -0.012 0.000 1.300 30 M HN 0.478 nan 8.290 nan 0.000 0.411 31 E N 0.594 120.785 120.200 -0.014 0.000 2.110 31 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 31 E C 1.836 178.427 176.600 -0.015 0.000 0.988 31 E CA 1.152 57.543 56.400 -0.015 0.000 0.804 31 E CB -0.253 29.436 29.700 -0.019 0.000 0.745 31 E HN 0.552 nan 8.360 nan 0.000 0.458 32 I N -0.088 120.472 120.570 -0.016 0.000 2.133 32 I HA -0.269 3.901 4.170 -0.000 0.000 0.238 32 I C 2.295 178.407 176.117 -0.008 0.000 1.074 32 I CA 0.908 62.200 61.300 -0.013 0.000 1.342 32 I CB -0.360 37.633 38.000 -0.012 0.000 1.053 32 I HN 0.146 nan 8.210 nan 0.000 0.404 33 L N 0.673 121.889 121.223 -0.012 0.000 2.013 33 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 33 L C 2.730 179.596 176.870 -0.007 0.000 1.073 33 L CA 1.837 56.668 54.840 -0.016 0.000 0.753 33 L CB -1.418 40.629 42.059 -0.020 0.000 0.890 33 L HN 0.377 nan 8.230 nan 0.000 0.432 34 G N 0.289 109.085 108.800 -0.006 0.000 2.476 34 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 34 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 34 G C 1.547 176.451 174.900 0.007 0.000 1.164 34 G CA 1.125 46.225 45.100 -0.000 0.000 0.768 34 G HN 0.314 nan 8.290 nan 0.000 0.560 35 I N 1.195 121.768 120.570 0.004 0.000 2.133 35 I HA -0.124 4.046 4.170 -0.000 0.000 0.238 35 I C 3.329 179.462 176.117 0.025 0.000 1.074 35 I CA 0.931 62.237 61.300 0.010 0.000 1.342 35 I CB -0.486 37.516 38.000 0.002 0.000 1.053 35 I HN 0.264 nan 8.210 nan 0.000 0.404 36 A N 1.678 124.513 122.820 0.025 0.000 1.837 36 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 36 A C 2.299 179.925 177.584 0.071 0.000 1.210 36 A CA 1.924 53.986 52.037 0.042 0.000 0.632 36 A CB -1.198 17.810 19.000 0.014 0.000 0.843 36 A HN 0.376 nan 8.150 nan 0.000 0.448 37 I N -0.034 120.560 120.570 0.039 0.000 2.181 37 I HA -0.380 3.790 4.170 -0.000 0.000 0.247 37 I C 2.450 178.632 176.117 0.110 0.000 1.081 37 I CA 2.131 63.470 61.300 0.065 0.000 1.340 37 I CB -0.693 37.319 38.000 0.020 0.000 1.036 37 I HN 0.622 nan 8.210 nan 0.000 0.417 38 N N 0.907 119.646 118.700 0.066 0.000 2.028 38 N HA -0.203 4.537 4.740 -0.000 0.000 0.194 38 N C 2.073 177.617 175.510 0.057 0.000 1.050 38 N CA 1.365 54.445 53.050 0.050 0.000 0.848 38 N CB -0.098 38.405 38.487 0.028 0.000 1.038 38 N HN -0.012 nan 8.380 nan 0.000 0.423 39 R N -0.401 120.134 120.500 0.059 0.000 2.117 39 R HA -0.180 4.160 4.340 -0.000 0.000 0.243 39 R C 1.994 178.331 176.300 0.061 0.000 1.143 39 R CA 1.183 57.312 56.100 0.049 0.000 0.968 39 R CB -1.138 29.193 30.300 0.052 0.000 0.863 39 R HN 0.510 nan 8.270 nan 0.000 0.444 40 Y N 1.271 121.562 120.300 -0.016 0.000 2.070 40 Y HA -0.204 4.346 4.550 -0.000 0.000 0.279 40 Y C 1.885 177.758 175.900 -0.044 0.000 1.134 40 Y CA 2.180 60.265 58.100 -0.025 0.000 1.113 40 Y CB -0.712 37.736 38.460 -0.020 0.000 0.981 40 Y HN 0.172 nan 8.280 nan 0.000 0.487 41 N N -0.310 118.425 118.700 0.058 0.000 2.192 41 N HA -0.219 4.521 4.740 -0.000 0.000 0.188 41 N C 1.953 177.394 175.510 -0.115 0.000 1.013 41 N CA 0.734 53.757 53.050 -0.046 0.000 0.863 41 N CB -0.538 37.975 38.487 0.043 0.000 0.990 41 N HN 0.580 nan 8.380 nan 0.000 0.430 42 G N 1.099 109.854 108.800 -0.076 0.000 2.446 42 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 42 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 42 G C 1.350 176.187 174.900 -0.106 0.000 1.168 42 G CA 0.669 45.728 45.100 -0.069 0.000 0.771 42 G HN 0.193 nan 8.290 nan 0.000 0.551 43 L N -0.321 120.808 121.223 -0.157 0.000 2.463 43 L HA 0.158 4.498 4.340 -0.000 0.000 0.219 43 L C 2.838 179.554 176.870 -0.256 0.000 1.088 43 L CA 0.636 55.380 54.840 -0.160 0.000 0.849 43 L CB -0.147 41.838 42.059 -0.123 0.000 1.012 43 L HN 0.087 nan 8.230 nan 0.000 0.468 44 T N -0.051 114.231 114.554 -0.453 0.000 2.770 44 T HA 0.021 4.371 4.350 -0.000 0.000 0.258 44 T C 0.957 175.366 174.700 -0.484 0.000 1.039 44 T CA 0.792 62.472 62.100 -0.700 0.000 1.143 44 T CB 0.107 68.275 68.868 -1.167 0.000 0.866 44 T HN 0.090 nan 8.240 nan 0.000 0.428 45 L N -0.026 121.016 121.223 -0.302 0.000 4.613 45 L HA -0.110 4.230 4.340 -0.000 0.000 0.409 45 L C 0.393 177.191 176.870 -0.120 0.000 1.100 45 L CA 0.544 55.288 54.840 -0.159 0.000 1.029 45 L CB -1.599 40.395 42.059 -0.108 0.000 2.137 45 L HN 0.182 nan 8.230 nan 0.000 0.713 46 R N -0.284 120.132 120.500 -0.140 0.000 2.536 46 R HA 0.653 4.993 4.340 -0.000 0.000 0.279 46 R C 0.939 177.262 176.300 0.039 0.000 1.001 46 R CA 0.211 56.300 56.100 -0.018 0.000 1.027 46 R CB 1.116 31.447 30.300 0.052 0.000 1.096 46 R HN 0.174 nan 8.270 nan 0.000 0.502 47 G N 1.991 110.823 108.800 0.054 0.000 3.161 47 G HA2 0.261 4.221 3.960 -0.000 0.000 0.293 47 G HA3 0.261 4.221 3.960 -0.000 0.000 0.293 47 G C -0.168 174.767 174.900 0.058 0.000 0.893 47 G CA -0.341 44.788 45.100 0.048 0.000 1.756 47 G HN 0.256 nan 8.290 nan 0.000 0.549 48 V N 1.941 121.906 119.914 0.085 0.000 2.530 48 V HA 0.342 4.462 4.120 -0.000 0.000 0.282 48 V C 0.615 176.725 176.094 0.028 0.000 1.048 48 V CA -0.156 62.179 62.300 0.058 0.000 0.997 48 V CB 1.198 33.064 31.823 0.071 0.000 0.987 48 V HN 0.515 nan 8.190 nan 0.000 0.477 49 T N 5.590 120.146 114.554 0.004 0.000 2.895 49 T HA 0.372 4.722 4.350 -0.000 0.000 0.283 49 T C 1.072 175.764 174.700 -0.014 0.000 1.014 49 T CA -0.594 61.504 62.100 -0.003 0.000 1.037 49 T CB 1.649 70.513 68.868 -0.007 0.000 1.006 49 T HN 0.511 nan 8.240 nan 0.000 0.468 50 M N 0.702 120.295 119.600 -0.012 0.000 2.460 50 M HA 0.067 4.547 4.480 -0.000 0.000 0.263 50 M C 0.868 177.156 176.300 -0.021 0.000 1.071 50 M CA 1.249 56.538 55.300 -0.017 0.000 1.096 50 M CB 0.051 32.643 32.600 -0.012 0.000 1.408 50 M HN 0.284 nan 8.290 nan 0.000 0.463 51 R N 0.465 120.953 120.500 -0.019 0.000 2.607 51 R HA 0.318 4.658 4.340 -0.000 0.000 0.278 51 R C -2.801 173.485 176.300 -0.024 0.000 1.637 51 R CA -1.645 54.442 56.100 -0.022 0.000 1.325 51 R CB 0.660 30.950 30.300 -0.018 0.000 1.211 51 R HN -0.116 nan 8.270 nan 0.000 0.565 52 P HA 0.275 nan 4.420 nan 0.000 0.275 52 P C -0.045 177.234 177.300 -0.036 0.000 1.228 52 P CA -0.181 62.898 63.100 -0.035 0.000 0.786 52 P CB 1.640 33.312 31.700 -0.047 0.000 0.927 53 T N -3.462 111.072 114.554 -0.034 0.000 3.336 53 T HA -0.007 4.343 4.350 -0.000 0.000 0.273 53 T C 1.644 176.324 174.700 -0.034 0.000 0.932 53 T CA 0.629 62.710 62.100 -0.032 0.000 0.995 53 T CB -0.927 67.927 68.868 -0.024 0.000 1.213 53 T HN 0.328 nan 8.240 nan 0.000 0.502 54 S N 2.411 118.093 115.700 -0.030 0.000 2.462 54 S HA 0.085 4.555 4.470 -0.000 0.000 0.219 54 S C 1.485 176.063 174.600 -0.036 0.000 1.048 54 S CA 1.732 59.916 58.200 -0.027 0.000 1.119 54 S CB -0.605 62.583 63.200 -0.019 0.000 1.100 54 S HN 0.922 nan 8.310 nan 0.000 0.411 55 L N -1.771 119.425 121.223 -0.045 0.000 1.227 55 L HA 0.316 4.656 4.340 -0.000 0.000 0.063 55 L C 1.701 178.527 176.870 -0.074 0.000 1.482 55 L CA 0.990 55.795 54.840 -0.059 0.000 1.145 55 L CB -1.090 40.947 42.059 -0.037 0.000 2.336 55 L HN 0.307 nan 8.230 nan 0.000 0.447 56 A N 0.301 123.095 122.820 -0.044 0.000 1.948 56 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 56 A C 1.926 179.470 177.584 -0.067 0.000 1.177 56 A CA 2.326 54.339 52.037 -0.040 0.000 0.636 56 A CB -0.656 18.345 19.000 0.002 0.000 0.815 56 A HN 0.735 nan 8.150 nan 0.000 0.449 57 Q N -0.887 118.880 119.800 -0.054 0.000 2.079 57 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 57 Q C 2.378 178.325 176.000 -0.088 0.000 0.974 57 Q CA 1.393 57.165 55.803 -0.052 0.000 0.840 57 Q CB -0.154 28.562 28.738 -0.037 0.000 0.898 57 Q HN 0.654 nan 8.270 nan 0.000 0.430 58 R N 0.387 120.824 120.500 -0.106 0.000 2.092 58 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 58 R C 1.868 178.047 176.300 -0.202 0.000 1.119 58 R CA 1.101 57.125 56.100 -0.126 0.000 0.970 58 R CB -0.261 29.966 30.300 -0.122 0.000 0.864 58 R HN 0.262 nan 8.270 nan 0.000 0.440 59 N N 1.084 119.596 118.700 -0.313 0.000 2.058 59 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 59 N C 1.672 176.609 175.510 -0.954 0.000 1.037 59 N CA 1.227 53.859 53.050 -0.696 0.000 0.848 59 N CB -0.308 37.771 38.487 -0.680 0.000 1.021 59 N HN 0.139 nan 8.380 nan 0.000 0.422 60 E N 0.802 120.720 120.200 -0.470 0.000 2.097 60 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 60 E C 1.959 178.524 176.600 -0.058 0.000 1.000 60 E CA 1.019 57.347 56.400 -0.120 0.000 0.804 60 E CB -0.225 29.484 29.700 0.015 0.000 0.740 60 E HN 0.358 nan 8.360 nan 0.000 0.454 61 M N -0.999 118.535 119.600 -0.110 0.000 2.132 61 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 61 M C 1.925 178.167 176.300 -0.098 0.000 1.065 61 M CA 1.419 56.659 55.300 -0.100 0.000 1.122 61 M CB -0.156 32.395 32.600 -0.082 0.000 1.365 61 M HN 0.215 nan 8.290 nan 0.000 0.411 62 F N 0.906 120.721 119.950 -0.226 0.000 2.095 62 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 62 F C 1.543 177.338 175.800 -0.008 0.000 1.104 62 F CA 1.736 59.643 58.000 -0.156 0.000 1.232 62 F CB -0.571 38.291 39.000 -0.230 0.000 0.987 62 F HN 0.130 nan 8.300 nan 0.000 0.475 63 F N 0.366 120.276 119.950 -0.066 0.000 2.154 63 F HA -0.297 4.230 4.527 -0.000 0.000 0.301 63 F C 2.593 178.389 175.800 -0.006 0.000 1.087 63 F CA 1.568 59.557 58.000 -0.018 0.000 1.274 63 F CB -1.510 37.626 39.000 0.226 0.000 1.009 63 F HN 0.154 nan 8.300 nan 0.000 0.485 64 M N -0.533 119.118 119.600 0.085 0.000 2.067 64 M HA -0.250 4.230 4.480 -0.000 0.000 0.260 64 M C 2.377 178.530 176.300 -0.246 0.000 1.069 64 M CA 2.201 57.356 55.300 -0.241 0.000 1.117 64 M CB -0.611 31.568 32.600 -0.702 0.000 1.334 64 M HN 0.180 nan 8.290 nan 0.000 0.407 65 C N 0.521 119.647 119.300 -0.290 0.000 2.413 65 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 65 C C 2.613 177.447 174.990 -0.261 0.000 1.248 65 C CA 0.877 59.730 59.018 -0.274 0.000 1.742 65 C CB -1.550 26.003 27.740 -0.312 0.000 2.017 65 C HN 0.734 nan 8.230 nan 0.000 0.481 66 L N 1.443 122.435 121.223 -0.385 0.000 1.994 66 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 66 L C 2.176 179.006 176.870 -0.066 0.000 1.071 66 L CA 2.095 56.743 54.840 -0.320 0.000 0.745 66 L CB -1.110 40.642 42.059 -0.511 0.000 0.892 66 L HN 0.259 nan 8.230 nan 0.000 0.431 67 D N -0.726 119.732 120.400 0.097 0.000 2.133 67 D HA -0.241 4.399 4.640 -0.000 0.000 0.195 67 D C 2.172 178.554 176.300 0.136 0.000 0.997 67 D CA 2.056 56.197 54.000 0.235 0.000 0.840 67 D CB -0.047 40.982 40.800 0.383 0.000 0.947 67 D HN 0.429 nan 8.370 nan 0.000 0.452 68 M N -0.358 119.285 119.600 0.072 0.000 2.077 68 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 68 M C 2.343 178.650 176.300 0.012 0.000 1.070 68 M CA 0.959 56.284 55.300 0.042 0.000 1.125 68 M CB -0.372 32.223 32.600 -0.009 0.000 1.339 68 M HN 0.014 nan 8.290 nan 0.000 0.409 69 M N 1.288 120.874 119.600 -0.023 0.000 2.108 69 M HA -0.216 4.264 4.480 -0.000 0.000 0.257 69 M C 1.930 178.225 176.300 -0.010 0.000 1.071 69 M CA 2.042 57.327 55.300 -0.026 0.000 1.093 69 M CB -0.708 31.864 32.600 -0.047 0.000 1.345 69 M HN 0.306 nan 8.290 nan 0.000 0.403 70 L N -0.846 120.379 121.223 0.004 0.000 2.005 70 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 70 L C 2.480 179.363 176.870 0.022 0.000 1.072 70 L CA 1.327 56.177 54.840 0.016 0.000 0.744 70 L CB -1.009 41.078 42.059 0.046 0.000 0.895 70 L HN 0.257 nan 8.230 nan 0.000 0.433 71 S N 0.149 115.872 115.700 0.039 0.000 2.374 71 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 71 S C 2.171 176.781 174.600 0.016 0.000 1.037 71 S CA 1.444 59.666 58.200 0.035 0.000 1.024 71 S CB -0.381 62.853 63.200 0.055 0.000 0.861 71 S HN 0.505 nan 8.310 nan 0.000 0.456 72 A N 1.007 123.832 122.820 0.009 0.000 1.972 72 A HA 0.177 4.497 4.320 -0.000 0.000 0.219 72 A C 2.212 179.786 177.584 -0.016 0.000 1.169 72 A CA 1.593 53.626 52.037 -0.007 0.000 0.635 72 A CB -0.740 18.252 19.000 -0.013 0.000 0.810 72 A HN 0.527 nan 8.150 nan 0.000 0.446 73 A N -1.811 121.001 122.820 -0.014 0.000 2.123 73 A HA 0.407 4.727 4.320 -0.000 0.000 0.214 73 A C 1.758 179.333 177.584 -0.015 0.000 1.152 73 A CA 1.211 53.236 52.037 -0.020 0.000 0.728 73 A CB -0.820 18.167 19.000 -0.022 0.000 0.814 73 A HN 1.912 nan 8.150 nan 0.000 0.464 74 G N -0.691 108.105 108.800 -0.007 0.000 2.212 74 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.255 74 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.255 74 G C -0.072 174.826 174.900 -0.003 0.000 1.062 74 G CA 0.357 45.454 45.100 -0.005 0.000 0.815 74 G HN 0.455 nan 8.290 nan 0.000 0.497 75 I N 0.049 120.619 120.570 0.001 0.000 2.525 75 I HA 0.388 4.558 4.170 -0.000 0.000 0.301 75 I C 0.317 176.441 176.117 0.012 0.000 0.992 75 I CA -0.837 60.463 61.300 0.001 0.000 1.162 75 I CB 2.015 40.012 38.000 -0.005 0.000 1.332 75 I HN 0.223 nan 8.210 nan 0.000 0.458 76 N N 4.618 123.324 118.700 0.010 0.000 2.617 76 N HA 0.216 4.956 4.740 -0.000 0.000 0.263 76 N C 0.522 176.042 175.510 0.016 0.000 1.074 76 N CA -0.355 52.703 53.050 0.015 0.000 0.841 76 N CB 1.566 40.054 38.487 0.003 0.000 1.221 76 N HN 0.524 nan 8.380 nan 0.000 0.529 77 V N 1.493 121.428 119.914 0.035 0.000 2.809 77 V HA 0.318 4.438 4.120 -0.000 0.000 0.256 77 V C 1.236 177.354 176.094 0.039 0.000 1.080 77 V CA 1.151 63.473 62.300 0.037 0.000 1.102 77 V CB -1.399 30.459 31.823 0.058 0.000 0.705 77 V HN 0.795 nan 8.190 nan 0.000 0.475 78 G N 1.300 110.120 108.800 0.033 0.000 2.750 78 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.228 78 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.228 78 G C -2.131 172.797 174.900 0.046 0.000 1.367 78 G CA -0.216 44.896 45.100 0.021 0.000 0.871 78 G HN 0.657 nan 8.290 nan 0.000 0.560 79 P HA 0.198 nan 4.420 nan 0.000 0.263 79 P C 0.986 178.405 177.300 0.198 0.000 1.345 79 P CA 0.745 63.906 63.100 0.102 0.000 1.119 79 P CB -0.707 31.036 31.700 0.072 0.000 1.363 80 I N -0.290 120.394 120.570 0.190 0.000 4.227 80 I HA 0.335 4.505 4.170 -0.000 0.000 0.334 80 I C 0.250 176.402 176.117 0.057 0.000 1.341 80 I CA -0.282 61.131 61.300 0.188 0.000 1.123 80 I CB 0.574 38.644 38.000 0.117 0.000 1.097 80 I HN 0.131 nan 8.210 nan 0.000 0.399 81 S N 1.396 117.065 115.700 -0.052 0.000 2.537 81 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 81 S C -2.375 172.084 174.600 -0.236 0.000 1.142 81 S CA -0.799 57.223 58.200 -0.297 0.000 0.870 81 S CB 1.929 65.183 63.200 0.089 0.000 1.112 81 S HN 0.018 nan 8.310 nan 0.000 0.466 82 P HA 0.204 nan 4.420 nan 0.000 0.239 82 P C 0.046 177.357 177.300 0.019 0.000 1.188 82 P CA 0.528 63.616 63.100 -0.021 0.000 0.794 82 P CB 0.270 31.993 31.700 0.039 0.000 0.937 83 D N -1.220 119.212 120.400 0.054 0.000 2.259 83 D HA -0.005 4.635 4.640 -0.000 0.000 0.216 83 D C 0.533 176.783 176.300 -0.085 0.000 0.961 83 D CA 0.647 54.710 54.000 0.104 0.000 0.878 83 D CB -0.411 40.577 40.800 0.313 0.000 1.009 83 D HN 0.196 nan 8.370 nan 0.000 0.490 84 Y N 0.942 121.043 120.300 -0.332 0.000 2.387 84 Y HA 0.442 4.992 4.550 -0.000 0.000 0.330 84 Y C -0.754 174.953 175.900 -0.321 0.000 1.133 84 Y CA -0.094 57.615 58.100 -0.652 0.000 1.152 84 Y CB 1.619 39.594 38.460 -0.807 0.000 1.215 84 Y HN -0.336 nan 8.280 nan 0.000 0.466 85 T N 5.747 119.558 114.554 -1.239 0.000 3.032 85 T HA 0.163 4.513 4.350 -0.000 0.000 0.312 85 T C -1.418 172.552 174.700 -1.217 0.000 1.078 85 T CA -0.784 60.770 62.100 -0.910 0.000 1.028 85 T CB 1.415 69.976 68.868 -0.512 0.000 1.091 85 T HN 0.684 nan 8.240 nan 0.000 0.457 86 Q N 2.480 121.802 119.800 -0.795 0.000 2.288 86 Q HA 0.171 4.511 4.340 -0.000 0.000 0.258 86 Q C -0.659 175.143 176.000 -0.331 0.000 0.957 86 Q CA -0.401 55.161 55.803 -0.402 0.000 0.919 86 Q CB 0.461 29.162 28.738 -0.061 0.000 1.185 86 Q HN 0.635 nan 8.270 nan 0.000 0.408 87 H N 6.017 125.007 119.070 -0.133 0.000 2.640 87 H HA 0.090 4.646 4.556 -0.000 0.000 0.297 87 H C 0.628 175.926 175.328 -0.051 0.000 1.073 87 H CA -0.527 55.460 56.048 -0.102 0.000 1.305 87 H CB 1.167 30.853 29.762 -0.126 0.000 1.404 87 H HN 0.700 nan 8.280 nan 0.000 0.459 88 M N 1.903 121.505 119.600 0.003 0.000 2.358 88 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 88 M C 2.267 178.584 176.300 0.028 0.000 1.064 88 M CA 0.650 55.957 55.300 0.011 0.000 1.093 88 M CB -1.158 31.433 32.600 -0.016 0.000 1.401 88 M HN 0.633 nan 8.290 nan 0.000 0.440 89 A N 0.081 122.922 122.820 0.035 0.000 2.024 89 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 89 A C 2.292 179.883 177.584 0.013 0.000 1.164 89 A CA 2.026 54.071 52.037 0.012 0.000 0.643 89 A CB -1.137 17.859 19.000 -0.007 0.000 0.806 89 A HN 0.482 nan 8.150 nan 0.000 0.451 90 T N 0.265 114.845 114.554 0.043 0.000 2.714 90 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 90 T C 1.732 176.482 174.700 0.082 0.000 1.036 90 T CA 1.810 63.965 62.100 0.091 0.000 1.148 90 T CB -0.430 68.543 68.868 0.174 0.000 0.856 90 T HN 0.485 nan 8.240 nan 0.000 0.462 91 I N 1.534 122.137 120.570 0.056 0.000 2.226 91 I HA -0.016 4.154 4.170 -0.000 0.000 0.245 91 I C 2.501 178.639 176.117 0.036 0.000 1.100 91 I CA 1.417 62.742 61.300 0.043 0.000 1.374 91 I CB -0.946 37.070 38.000 0.028 0.000 1.057 91 I HN 0.244 nan 8.210 nan 0.000 0.413 92 G N -0.385 108.431 108.800 0.026 0.000 2.448 92 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 92 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 92 G C 1.622 176.540 174.900 0.029 0.000 1.127 92 G CA 1.098 46.210 45.100 0.020 0.000 0.766 92 G HN 0.382 nan 8.290 nan 0.000 0.552 93 V N 1.093 121.032 119.914 0.042 0.000 2.270 93 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 93 V C 2.718 178.856 176.094 0.073 0.000 1.043 93 V CA 0.954 63.293 62.300 0.065 0.000 1.014 93 V CB -0.407 31.487 31.823 0.118 0.000 0.645 93 V HN 0.205 nan 8.190 nan 0.000 0.447 94 L N 0.400 121.668 121.223 0.075 0.000 2.265 94 L HA -0.032 4.308 4.340 -0.000 0.000 0.215 94 L C 2.496 179.403 176.870 0.060 0.000 1.117 94 L CA 2.054 56.935 54.840 0.069 0.000 0.782 94 L CB -1.907 40.185 42.059 0.056 0.000 0.914 94 L HN 0.403 nan 8.230 nan 0.000 0.441 95 A N -1.306 121.543 122.820 0.048 0.000 2.167 95 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 95 A C 1.162 178.775 177.584 0.047 0.000 1.151 95 A CA 0.307 52.369 52.037 0.042 0.000 0.735 95 A CB -0.590 18.427 19.000 0.029 0.000 0.802 95 A HN 0.338 nan 8.150 nan 0.000 0.467 96 T N 2.866 117.449 114.554 0.050 0.000 2.784 96 T HA 0.205 4.555 4.350 -0.000 0.000 0.291 96 T C -1.281 173.453 174.700 0.057 0.000 0.942 96 T CA -0.492 61.635 62.100 0.045 0.000 1.161 96 T CB 1.056 69.948 68.868 0.041 0.000 0.885 96 T HN 0.311 nan 8.240 nan 0.000 0.534 97 P HA -0.066 nan 4.420 nan 0.000 0.220 97 P C 0.971 178.288 177.300 0.029 0.000 1.148 97 P CA 0.887 64.021 63.100 0.056 0.000 0.803 97 P CB 0.403 32.128 31.700 0.042 0.000 0.782 98 E N 0.102 120.313 120.200 0.018 0.000 2.267 98 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 98 E C 0.865 177.462 176.600 -0.006 0.000 0.998 98 E CA 0.518 56.918 56.400 0.000 0.000 0.830 98 E CB -0.731 28.972 29.700 0.004 0.000 0.751 98 E HN 0.410 nan 8.360 nan 0.000 0.491 99 I N 3.001 123.582 120.570 0.019 0.000 2.337 99 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 99 I C -1.951 174.168 176.117 0.003 0.000 1.046 99 I CA -2.036 59.279 61.300 0.025 0.000 1.324 99 I CB 0.716 38.754 38.000 0.063 0.000 1.409 99 I HN -0.081 nan 8.210 nan 0.000 0.494 100 P HA 0.433 nan 4.420 nan 0.000 0.282 100 P C -1.176 176.022 177.300 -0.169 0.000 1.287 100 P CA -0.250 62.673 63.100 -0.295 0.000 0.792 100 P CB 1.026 32.574 31.700 -0.253 0.000 1.163 101 F N -3.574 116.378 119.950 0.002 0.000 2.608 101 F HA 0.474 5.001 4.527 -0.000 0.000 0.309 101 F C 0.185 175.986 175.800 0.003 0.000 1.103 101 F CA -1.168 56.834 58.000 0.002 0.000 0.954 101 F CB 0.028 39.030 39.000 0.004 0.000 1.267 101 F HN 0.257 nan 8.300 nan 0.000 0.444 102 T N -1.825 112.844 114.554 0.191 0.000 2.791 102 T HA 0.130 4.480 4.350 -0.000 0.000 0.323 102 T C 0.933 175.737 174.700 0.174 0.000 1.082 102 T CA 0.283 62.455 62.100 0.119 0.000 1.084 102 T CB 0.669 69.587 68.868 0.083 0.000 0.992 102 T HN 0.768 nan 8.240 nan 0.000 0.547 103 T N 1.178 115.794 114.554 0.103 0.000 2.746 103 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 103 T C 1.840 176.597 174.700 0.096 0.000 1.039 103 T CA 1.584 63.745 62.100 0.102 0.000 1.142 103 T CB -0.385 68.516 68.868 0.055 0.000 0.866 103 T HN 0.718 nan 8.240 nan 0.000 0.444 104 E N 1.714 121.959 120.200 0.075 0.000 2.033 104 E HA -0.076 4.274 4.350 -0.000 0.000 0.199 104 E C 2.490 179.133 176.600 0.071 0.000 1.011 104 E CA 1.399 57.836 56.400 0.061 0.000 0.815 104 E CB -0.809 28.922 29.700 0.051 0.000 0.755 104 E HN 0.473 nan 8.360 nan 0.000 0.451 105 A N 1.112 123.985 122.820 0.088 0.000 1.884 105 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 105 A C 2.420 180.020 177.584 0.026 0.000 1.197 105 A CA 2.702 54.781 52.037 0.069 0.000 0.637 105 A CB -1.236 17.825 19.000 0.102 0.000 0.827 105 A HN 0.309 nan 8.150 nan 0.000 0.450 106 A N 0.007 122.865 122.820 0.063 0.000 1.873 106 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 106 A C 1.999 179.585 177.584 0.004 0.000 1.193 106 A CA 1.843 53.877 52.037 -0.005 0.000 0.629 106 A CB -0.881 18.207 19.000 0.146 0.000 0.826 106 A HN 0.710 nan 8.150 nan 0.000 0.447 107 N N -0.711 118.013 118.700 0.040 0.000 2.188 107 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 107 N C 1.753 177.290 175.510 0.046 0.000 1.018 107 N CA 1.418 54.488 53.050 0.033 0.000 0.858 107 N CB -0.206 38.298 38.487 0.029 0.000 0.989 107 N HN 0.646 nan 8.380 nan 0.000 0.426 108 E N 0.673 120.913 120.200 0.067 0.000 2.077 108 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 108 E C 1.971 178.655 176.600 0.140 0.000 0.989 108 E CA 0.758 57.244 56.400 0.143 0.000 0.800 108 E CB 0.114 29.900 29.700 0.144 0.000 0.746 108 E HN 0.283 nan 8.360 nan 0.000 0.452 109 I N 0.792 121.385 120.570 0.037 0.000 2.286 109 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 109 I C 2.492 178.609 176.117 -0.001 0.000 1.104 109 I CA 0.944 62.237 61.300 -0.011 0.000 1.397 109 I CB -1.434 36.517 38.000 -0.083 0.000 1.072 109 I HN 0.014 nan 8.210 nan 0.000 0.417 110 A N 0.810 123.629 122.820 -0.002 0.000 2.024 110 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 110 A C 2.418 180.015 177.584 0.022 0.000 1.164 110 A CA 1.837 53.874 52.037 -0.001 0.000 0.643 110 A CB -0.521 18.478 19.000 -0.000 0.000 0.806 110 A HN 0.287 nan 8.150 nan 0.000 0.451 111 R N -0.153 120.385 120.500 0.063 0.000 2.057 111 R HA -0.029 4.311 4.340 -0.000 0.000 0.229 111 R C 1.921 178.297 176.300 0.126 0.000 1.136 111 R CA 1.985 58.141 56.100 0.093 0.000 0.952 111 R CB -1.192 29.181 30.300 0.122 0.000 0.848 111 R HN 0.229 nan 8.270 nan 0.000 0.430 112 V N 0.396 120.402 119.914 0.154 0.000 2.233 112 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 112 V C 2.129 178.217 176.094 -0.010 0.000 1.050 112 V CA 2.564 64.894 62.300 0.050 0.000 1.010 112 V CB -0.938 30.845 31.823 -0.067 0.000 0.637 112 V HN 0.480 nan 8.190 nan 0.000 0.444 113 T N 0.211 114.750 114.554 -0.025 0.000 2.720 113 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 113 T C 1.877 176.547 174.700 -0.049 0.000 1.037 113 T CA 1.588 63.660 62.100 -0.047 0.000 1.144 113 T CB -0.831 68.009 68.868 -0.046 0.000 0.864 113 T HN 0.646 nan 8.240 nan 0.000 0.444 114 G N 2.157 110.941 108.800 -0.027 0.000 2.545 114 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 114 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 114 G C 1.457 176.326 174.900 -0.051 0.000 1.218 114 G CA 1.501 46.584 45.100 -0.029 0.000 0.787 114 G HN 0.717 nan 8.290 nan 0.000 0.571 115 E N -0.790 119.389 120.200 -0.035 0.000 2.107 115 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 115 E C 2.256 178.778 176.600 -0.130 0.000 0.982 115 E CA 1.568 57.934 56.400 -0.057 0.000 0.809 115 E CB -1.013 28.683 29.700 -0.007 0.000 0.756 115 E HN 0.225 nan 8.360 nan 0.000 0.459 116 T N 0.044 114.529 114.554 -0.115 0.000 2.849 116 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 116 T C 1.847 176.392 174.700 -0.259 0.000 1.066 116 T CA 1.708 63.712 62.100 -0.161 0.000 1.130 116 T CB -0.443 68.359 68.868 -0.110 0.000 0.864 116 T HN 0.488 nan 8.240 nan 0.000 0.481 117 S N -1.085 114.472 115.700 -0.240 0.000 2.470 117 S HA 0.125 4.595 4.470 -0.000 0.000 0.225 117 S C 1.120 175.432 174.600 -0.480 0.000 1.006 117 S CA 0.227 58.255 58.200 -0.287 0.000 0.934 117 S CB 0.112 63.215 63.200 -0.161 0.000 0.778 117 S HN 0.378 nan 8.310 nan 0.000 0.517 118 T N -0.072 114.201 114.554 -0.469 0.000 2.773 118 T HA 0.562 4.912 4.350 -0.000 0.000 0.278 118 T C -1.583 172.791 174.700 -0.543 0.000 1.011 118 T CA -0.965 60.827 62.100 -0.513 0.000 1.014 118 T CB 0.902 69.722 68.868 -0.079 0.000 1.293 118 T HN 0.444 nan 8.240 nan 0.000 0.554 119 W N -0.483 120.819 121.300 0.004 0.000 3.075 119 W HA 0.683 5.343 4.660 -0.000 0.000 0.334 119 W C 0.186 176.706 176.519 0.002 0.000 1.288 119 W CA -0.997 56.349 57.345 0.002 0.000 1.095 119 W CB 1.312 30.771 29.460 -0.001 0.000 1.564 119 W HN 1.018 nan 8.180 nan 0.000 0.629 120 G N 0.825 109.783 108.800 0.263 0.000 2.411 120 G HA2 0.340 4.300 3.960 -0.000 0.000 0.295 120 G HA3 0.340 4.300 3.960 -0.000 0.000 0.295 120 G C -3.119 171.841 174.900 0.100 0.000 1.542 120 G CA -0.965 44.220 45.100 0.142 0.000 0.814 120 G HN 0.035 nan 8.290 nan 0.000 0.557 121 P HA 0.471 nan 4.420 nan 0.000 0.268 121 P C -0.390 176.926 177.300 0.026 0.000 1.204 121 P CA 0.174 63.305 63.100 0.052 0.000 0.768 121 P CB 1.587 33.323 31.700 0.060 0.000 0.842 122 A N 3.499 126.321 122.820 0.003 0.000 2.517 122 A HA 0.412 4.732 4.320 -0.000 0.000 0.297 122 A C -0.232 177.299 177.584 -0.088 0.000 1.050 122 A CA -0.897 51.116 52.037 -0.040 0.000 0.694 122 A CB 1.282 20.259 19.000 -0.038 0.000 1.277 122 A HN 0.447 nan 8.150 nan 0.000 0.400 123 R N 1.894 122.323 120.500 -0.119 0.000 2.446 123 R HA 0.105 4.445 4.340 -0.000 0.000 0.325 123 R C -0.189 175.977 176.300 -0.223 0.000 0.997 123 R CA 0.005 56.005 56.100 -0.166 0.000 1.010 123 R CB 0.288 30.424 30.300 -0.273 0.000 0.946 123 R HN 0.674 nan 8.270 nan 0.000 0.422 124 Q N 4.472 124.060 119.800 -0.354 0.000 2.373 124 Q HA 0.046 4.386 4.340 -0.000 0.000 0.255 124 Q C -1.246 174.580 176.000 -0.290 0.000 0.980 124 Q CA -1.445 54.097 55.803 -0.436 0.000 0.882 124 Q CB 0.597 28.781 28.738 -0.923 0.000 1.249 124 Q HN 0.490 nan 8.270 nan 0.000 0.438 125 P HA -0.127 nan 4.420 nan 0.000 0.215 125 P C -0.300 176.751 177.300 -0.415 0.000 1.157 125 P CA 1.490 64.285 63.100 -0.508 0.000 0.859 125 P CB 0.248 31.395 31.700 -0.922 0.000 0.786 126 Y N -0.141 120.233 120.300 0.124 0.000 2.534 126 Y HA 0.588 5.138 4.550 -0.000 0.000 0.329 126 Y C 1.631 177.689 175.900 0.265 0.000 1.154 126 Y CA -1.256 56.940 58.100 0.160 0.000 1.192 126 Y CB -0.331 38.204 38.460 0.126 0.000 1.275 126 Y HN -0.119 nan 8.280 nan 0.000 0.491 127 G N 0.123 109.157 108.800 0.390 0.000 2.647 127 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.234 127 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.234 127 G C 0.373 175.415 174.900 0.237 0.000 1.252 127 G CA -0.154 45.140 45.100 0.324 0.000 0.846 127 G HN 0.707 nan 8.290 nan 0.000 0.589 128 F N 1.056 120.949 119.950 -0.094 0.000 2.051 128 F HA 0.039 4.566 4.527 -0.000 0.000 0.296 128 F C 1.644 177.190 175.800 -0.423 0.000 1.122 128 F CA 1.062 58.730 58.000 -0.553 0.000 1.201 128 F CB -0.158 38.330 39.000 -0.854 0.000 0.978 128 F HN 0.298 nan 8.300 nan 0.000 0.472 129 F N 0.800 120.953 119.950 0.339 0.000 2.833 129 F HA 0.167 4.694 4.527 -0.000 0.000 0.327 129 F C 1.098 176.971 175.800 0.122 0.000 1.184 129 F CA -0.157 57.971 58.000 0.214 0.000 1.328 129 F CB -0.468 38.620 39.000 0.147 0.000 1.440 129 F HN -0.007 nan 8.300 nan 0.000 0.569 130 L N 0.139 121.478 121.223 0.193 0.000 2.202 130 L HA 0.135 4.475 4.340 -0.000 0.000 0.205 130 L C 1.600 178.533 176.870 0.106 0.000 1.083 130 L CA 1.367 56.293 54.840 0.143 0.000 0.790 130 L CB -0.126 42.008 42.059 0.124 0.000 0.942 130 L HN 0.137 nan 8.230 nan 0.000 0.452 131 E N 0.783 121.042 120.200 0.097 0.000 2.424 131 E HA 0.068 4.418 4.350 -0.000 0.000 0.237 131 E C -0.232 176.422 176.600 0.090 0.000 1.381 131 E CA 0.079 56.525 56.400 0.077 0.000 1.587 131 E CB -0.488 29.247 29.700 0.057 0.000 1.398 131 E HN 0.464 nan 8.360 nan 0.000 0.439 132 T N -2.924 111.693 114.554 0.106 0.000 2.859 132 T HA 0.277 4.627 4.350 -0.000 0.000 0.281 132 T C 0.830 175.555 174.700 0.042 0.000 1.005 132 T CA -0.824 61.331 62.100 0.092 0.000 1.025 132 T CB 2.077 71.018 68.868 0.122 0.000 0.977 132 T HN 0.004 nan 8.240 nan 0.000 0.458 133 E N 1.064 121.276 120.200 0.021 0.000 2.140 133 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 133 E C 0.102 176.675 176.600 -0.044 0.000 0.973 133 E CA 0.554 56.949 56.400 -0.008 0.000 0.829 133 E CB 0.345 30.041 29.700 -0.007 0.000 0.781 133 E HN 0.742 nan 8.360 nan 0.000 0.466 134 E N 0.519 120.685 120.200 -0.056 0.000 2.212 134 E HA 0.380 4.730 4.350 -0.000 0.000 0.268 134 E C -0.814 175.696 176.600 -0.149 0.000 0.902 134 E CA -0.375 55.938 56.400 -0.145 0.000 0.779 134 E CB 2.382 31.983 29.700 -0.165 0.000 1.172 134 E HN -0.188 nan 8.360 nan 0.000 0.409 135 T N 1.872 116.263 114.554 -0.271 0.000 2.909 135 T HA 0.581 4.931 4.350 -0.000 0.000 0.299 135 T C -1.667 172.806 174.700 -0.378 0.000 1.073 135 T CA -0.611 61.384 62.100 -0.175 0.000 0.999 135 T CB 0.464 69.285 68.868 -0.078 0.000 1.098 135 T HN 0.273 nan 8.240 nan 0.000 0.477 136 F N 2.241 122.092 119.950 -0.166 0.000 2.458 136 F HA 0.517 5.044 4.527 -0.000 0.000 0.330 136 F C 0.746 176.491 175.800 -0.091 0.000 1.082 136 F CA -0.942 56.961 58.000 -0.162 0.000 0.995 136 F CB 1.493 40.331 39.000 -0.270 0.000 1.170 136 F HN 0.499 nan 8.300 nan 0.000 0.478 137 Q N 4.782 124.645 119.800 0.105 0.000 2.315 137 Q HA 0.078 4.418 4.340 -0.000 0.000 0.289 137 Q C -2.351 173.704 176.000 0.092 0.000 1.044 137 Q CA -1.527 54.326 55.803 0.083 0.000 0.920 137 Q CB 0.703 29.495 28.738 0.090 0.000 1.214 137 Q HN 0.211 nan 8.270 nan 0.000 0.392 138 P HA 0.058 nan 4.420 nan 0.000 0.276 138 P C 0.186 177.539 177.300 0.087 0.000 1.253 138 P CA 0.886 64.024 63.100 0.062 0.000 0.766 138 P CB 0.734 32.467 31.700 0.055 0.000 0.845 139 G N 3.050 111.902 108.800 0.086 0.000 2.195 139 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 139 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 139 G C 0.306 175.350 174.900 0.240 0.000 0.984 139 G CA -0.090 45.100 45.100 0.149 0.000 0.633 139 G HN 0.740 nan 8.290 nan 0.000 0.525 140 R N 0.529 121.150 120.500 0.201 0.000 2.308 140 R HA 0.422 4.762 4.340 -0.000 0.000 0.305 140 R C 0.582 177.066 176.300 0.306 0.000 1.053 140 R CA -0.819 55.446 56.100 0.274 0.000 0.957 140 R CB 0.305 30.742 30.300 0.228 0.000 1.022 140 R HN 0.286 nan 8.270 nan 0.000 0.461 141 W N 6.829 128.276 121.300 0.245 0.000 2.181 141 W HA 0.186 4.846 4.660 -0.000 0.000 0.335 141 W C -1.657 174.990 176.519 0.214 0.000 1.310 141 W CA 0.033 57.505 57.345 0.210 0.000 1.226 141 W CB 0.520 30.128 29.460 0.247 0.000 1.155 141 W HN 0.555 nan 8.180 nan 0.000 0.565 142 F N 7.999 127.501 119.950 -0.747 0.000 2.651 142 F HA 0.317 4.844 4.527 -0.000 0.000 0.329 142 F C -1.660 173.681 175.800 -0.765 0.000 1.186 142 F CA -1.009 56.681 58.000 -0.516 0.000 1.046 142 F CB 1.103 39.914 39.000 -0.314 0.000 1.296 142 F HN 0.184 nan 8.300 nan 0.000 0.497 143 M N 7.040 126.163 119.600 -0.794 0.000 2.093 143 M HA 0.467 4.947 4.480 -0.000 0.000 0.297 143 M C -0.915 175.126 176.300 -0.431 0.000 0.938 143 M CA -0.448 54.573 55.300 -0.465 0.000 0.920 143 M CB 1.297 33.804 32.600 -0.154 0.000 1.517 143 M HN 0.637 nan 8.290 nan 0.000 0.427 144 R N 3.130 123.518 120.500 -0.187 0.000 2.537 144 R HA 0.610 4.950 4.340 -0.000 0.000 0.280 144 R C -0.290 175.963 176.300 -0.078 0.000 1.058 144 R CA 0.276 56.337 56.100 -0.066 0.000 1.057 144 R CB 0.576 30.921 30.300 0.075 0.000 0.973 144 R HN 0.913 nan 8.270 nan 0.000 0.438 145 A N 3.428 126.211 122.820 -0.061 0.000 2.565 145 A HA 0.289 4.609 4.320 -0.000 0.000 0.237 145 A C 1.233 178.805 177.584 -0.019 0.000 1.053 145 A CA 0.814 52.828 52.037 -0.037 0.000 0.755 145 A CB -0.374 18.613 19.000 -0.022 0.000 0.980 145 A HN 1.425 nan 8.150 nan 0.000 0.506 146 A N 1.334 124.146 122.820 -0.014 0.000 3.383 146 A HA -0.192 4.128 4.320 -0.000 0.000 0.264 146 A C 0.448 178.026 177.584 -0.009 0.000 1.154 146 A CA 1.775 53.808 52.037 -0.007 0.000 1.179 146 A CB -2.300 16.697 19.000 -0.004 0.000 1.133 146 A HN 0.984 nan 8.150 nan 0.000 0.933 147 Q N -1.722 118.067 119.800 -0.018 0.000 2.274 147 Q HA 0.705 5.045 4.340 -0.000 0.000 0.260 147 Q C 1.036 177.024 176.000 -0.021 0.000 0.974 147 Q CA 0.062 55.849 55.803 -0.026 0.000 0.876 147 Q CB 1.744 30.456 28.738 -0.044 0.000 1.297 147 Q HN 0.859 nan 8.270 nan 0.000 0.446 148 A N 1.244 124.053 122.820 -0.019 0.000 2.063 148 A HA 0.447 4.767 4.320 -0.000 0.000 0.211 148 A C 0.473 178.040 177.584 -0.029 0.000 1.177 148 A CA 0.658 52.695 52.037 -0.001 0.000 0.759 148 A CB 0.525 19.527 19.000 0.004 0.000 0.857 148 A HN 0.600 nan 8.150 nan 0.000 0.468 149 A N -0.085 122.689 122.820 -0.076 0.000 2.357 149 A HA 0.609 4.929 4.320 -0.000 0.000 0.295 149 A C -0.592 176.895 177.584 -0.161 0.000 1.121 149 A CA -0.240 51.719 52.037 -0.130 0.000 0.742 149 A CB 0.695 19.613 19.000 -0.137 0.000 1.181 149 A HN 0.033 nan 8.150 nan 0.000 0.454 150 T N 2.469 116.886 114.554 -0.229 0.000 2.864 150 T HA 0.566 4.916 4.350 -0.000 0.000 0.310 150 T C 0.151 174.676 174.700 -0.293 0.000 1.040 150 T CA 0.014 61.975 62.100 -0.233 0.000 0.977 150 T CB 1.062 69.804 68.868 -0.211 0.000 0.976 150 T HN 1.046 nan 8.240 nan 0.000 0.459 151 A N 3.242 125.899 122.820 -0.272 0.000 2.366 151 A HA 0.759 5.079 4.320 -0.000 0.000 0.272 151 A C -0.176 177.165 177.584 -0.406 0.000 1.135 151 A CA -0.455 51.393 52.037 -0.315 0.000 0.804 151 A CB 0.552 19.393 19.000 -0.265 0.000 1.064 151 A HN 0.675 nan 8.150 nan 0.000 0.499 152 V N 3.526 123.152 119.914 -0.480 0.000 3.012 152 V HA 0.486 4.606 4.120 -0.000 0.000 0.307 152 V C -0.102 175.690 176.094 -0.502 0.000 1.166 152 V CA -0.346 61.584 62.300 -0.616 0.000 0.974 152 V CB 2.429 33.620 31.823 -1.052 0.000 1.040 152 V HN 1.313 nan 8.190 nan 0.000 0.428 153 V N 2.837 122.489 119.914 -0.437 0.000 3.051 153 V HA 0.441 4.561 4.120 -0.000 0.000 0.306 153 V C 0.725 176.744 176.094 -0.125 0.000 1.083 153 V CA 0.681 62.748 62.300 -0.388 0.000 1.104 153 V CB 0.876 32.451 31.823 -0.414 0.000 1.027 153 V HN 1.461 nan 8.190 nan 0.000 0.483 154 C N 0.538 119.774 119.300 -0.108 0.000 4.150 154 C HA 0.823 5.283 4.460 -0.000 0.000 0.330 154 C C 0.702 175.701 174.990 0.014 0.000 1.905 154 C CA 0.074 59.086 59.018 -0.011 0.000 1.724 154 C CB -0.847 26.884 27.740 -0.015 0.000 3.096 154 C HN 1.680 nan 8.230 nan 0.000 0.601 155 G N 0.526 109.340 108.800 0.023 0.000 2.550 155 G HA2 0.580 4.540 3.960 -0.000 0.000 0.293 155 G HA3 0.580 4.540 3.960 -0.000 0.000 0.293 155 G C -2.883 172.113 174.900 0.159 0.000 1.402 155 G CA -0.528 44.621 45.100 0.083 0.000 0.784 155 G HN -0.228 nan 8.290 nan 0.000 0.482 156 P HA 0.105 nan 4.420 nan 0.000 0.226 156 P C 0.206 177.706 177.300 0.333 0.000 1.153 156 P CA 1.522 64.763 63.100 0.235 0.000 0.777 156 P CB 0.302 32.109 31.700 0.178 0.000 0.794 157 D N -3.426 117.173 120.400 0.331 0.000 2.822 157 D HA 0.231 4.871 4.640 -0.000 0.000 0.327 157 D C -0.290 176.224 176.300 0.357 0.000 1.577 157 D CA -0.125 54.101 54.000 0.376 0.000 0.785 157 D CB -0.387 40.580 40.800 0.279 0.000 1.199 157 D HN -0.018 nan 8.370 nan 0.000 0.443 158 M N 1.695 121.483 119.600 0.314 0.000 2.386 158 M HA 0.574 5.054 4.480 -0.000 0.000 0.293 158 M C -1.830 174.441 176.300 -0.049 0.000 1.120 158 M CA -0.707 54.681 55.300 0.148 0.000 0.909 158 M CB 2.556 35.214 32.600 0.097 0.000 1.661 158 M HN 0.219 nan 8.290 nan 0.000 0.452 159 I N 1.088 121.609 120.570 -0.082 0.000 2.865 159 I HA 0.772 4.942 4.170 -0.000 0.000 0.302 159 I C -1.668 174.359 176.117 -0.150 0.000 1.140 159 I CA -0.710 60.440 61.300 -0.250 0.000 1.021 159 I CB 2.532 40.284 38.000 -0.412 0.000 1.233 159 I HN 0.763 nan 8.210 nan 0.000 0.427 160 Q N 3.587 123.262 119.800 -0.209 0.000 2.263 160 Q HA 0.663 5.003 4.340 -0.000 0.000 0.266 160 Q C -1.889 173.957 176.000 -0.257 0.000 1.002 160 Q CA -0.951 54.742 55.803 -0.183 0.000 0.790 160 Q CB 2.643 31.290 28.738 -0.152 0.000 1.272 160 Q HN 0.584 nan 8.270 nan 0.000 0.435 161 V N 2.072 121.842 119.914 -0.240 0.000 2.370 161 V HA 0.329 4.449 4.120 -0.000 0.000 0.279 161 V C -0.123 175.783 176.094 -0.314 0.000 1.029 161 V CA -0.498 61.636 62.300 -0.278 0.000 0.870 161 V CB 1.474 33.152 31.823 -0.243 0.000 0.984 161 V HN 0.842 nan 8.190 nan 0.000 0.451 162 S N 6.659 122.106 115.700 -0.420 0.000 2.430 162 S HA 0.566 5.036 4.470 -0.000 0.000 0.289 162 S C -0.442 173.911 174.600 -0.411 0.000 1.143 162 S CA -0.507 57.326 58.200 -0.612 0.000 1.067 162 S CB 0.394 62.870 63.200 -1.206 0.000 0.964 162 S HN 0.388 nan 8.310 nan 0.000 0.485 163 L N 3.738 124.895 121.223 -0.111 0.000 2.334 163 L HA 0.516 4.856 4.340 -0.000 0.000 0.276 163 L C 0.340 177.392 176.870 0.304 0.000 1.014 163 L CA -0.569 54.292 54.840 0.035 0.000 0.815 163 L CB 1.213 43.261 42.059 -0.018 0.000 1.268 163 L HN 0.493 nan 8.230 nan 0.000 0.428 164 N N 0.840 119.680 118.700 0.233 0.000 2.493 164 N HA 0.373 5.114 4.740 -0.000 0.000 0.275 164 N C -0.029 175.551 175.510 0.116 0.000 1.186 164 N CA -0.393 52.798 53.050 0.234 0.000 0.978 164 N CB 1.484 40.071 38.487 0.166 0.000 1.184 164 N HN 0.696 nan 8.380 nan 0.000 0.487 165 A N 0.057 122.923 122.820 0.076 0.000 2.548 165 A HA 0.388 4.708 4.320 -0.000 0.000 0.247 165 A C 1.326 178.929 177.584 0.031 0.000 1.067 165 A CA 0.721 52.785 52.037 0.044 0.000 0.757 165 A CB -0.940 18.073 19.000 0.021 0.000 0.996 165 A HN 0.932 nan 8.150 nan 0.000 0.504 166 G N 0.899 109.712 108.800 0.023 0.000 2.162 166 G HA2 0.121 4.081 3.960 -0.000 0.000 0.260 166 G HA3 0.121 4.081 3.960 -0.000 0.000 0.260 166 G C 0.534 175.438 174.900 0.007 0.000 0.976 166 G CA 0.600 45.707 45.100 0.013 0.000 0.655 166 G HN 2.189 nan 8.290 nan 0.000 0.533 167 A N -0.118 122.706 122.820 0.006 0.000 2.316 167 A HA 0.918 5.238 4.320 -0.000 0.000 0.284 167 A C 0.574 178.124 177.584 -0.057 0.000 1.115 167 A CA 0.534 52.564 52.037 -0.011 0.000 0.812 167 A CB 0.565 19.569 19.000 0.005 0.000 1.064 167 A HN 1.443 nan 8.150 nan 0.000 0.489 168 R N 0.357 120.814 120.500 -0.072 0.000 2.764 168 R HA 0.856 5.196 4.340 -0.000 0.000 0.270 168 R C -0.288 175.914 176.300 -0.163 0.000 1.014 168 R CA -0.391 55.608 56.100 -0.169 0.000 0.904 168 R CB 1.495 31.757 30.300 -0.064 0.000 1.236 168 R HN 1.729 nan 8.270 nan 0.000 0.466 169 G N 0.669 109.245 108.800 -0.375 0.000 2.361 169 G HA2 0.231 4.191 3.960 -0.000 0.000 0.299 169 G HA3 0.231 4.191 3.960 -0.000 0.000 0.299 169 G C -1.968 172.846 174.900 -0.144 0.000 1.544 169 G CA -0.912 44.107 45.100 -0.134 0.000 0.860 169 G HN 0.502 nan 8.290 nan 0.000 0.610 170 D N -0.203 120.247 120.400 0.083 0.000 2.345 170 D HA 0.415 5.055 4.640 -0.000 0.000 0.247 170 D C 1.095 177.385 176.300 -0.017 0.000 1.108 170 D CA -0.155 53.888 54.000 0.072 0.000 0.894 170 D CB 2.156 43.013 40.800 0.094 0.000 1.203 170 D HN 0.159 nan 8.370 nan 0.000 0.430 171 V N 1.766 121.662 119.914 -0.030 0.000 3.562 171 V HA -0.108 4.012 4.120 -0.000 0.000 0.270 171 V C 2.246 178.422 176.094 0.136 0.000 1.418 171 V CA -0.089 62.204 62.300 -0.013 0.000 1.033 171 V CB -0.014 31.767 31.823 -0.070 0.000 0.820 171 V HN 0.515 nan 8.190 nan 0.000 0.441 172 Q N 2.251 122.164 119.800 0.189 0.000 2.182 172 Q HA -0.351 3.989 4.340 -0.000 0.000 0.213 172 Q C 1.893 178.175 176.000 0.470 0.000 1.000 172 Q CA 2.598 58.672 55.803 0.452 0.000 0.889 172 Q CB -0.892 28.093 28.738 0.412 0.000 0.932 172 Q HN 0.798 nan 8.270 nan 0.000 0.415 173 Q N 0.576 120.519 119.800 0.240 0.000 2.297 173 Q HA -0.148 4.192 4.340 -0.000 0.000 0.208 173 Q C 1.968 178.048 176.000 0.133 0.000 0.981 173 Q CA 1.430 57.334 55.803 0.167 0.000 0.876 173 Q CB -0.687 28.104 28.738 0.089 0.000 0.921 173 Q HN 0.497 nan 8.270 nan 0.000 0.446 174 I N 0.154 120.759 120.570 0.059 0.000 2.614 174 I HA -0.123 4.047 4.170 -0.000 0.000 0.258 174 I C 1.294 177.396 176.117 -0.025 0.000 1.189 174 I CA 0.824 62.053 61.300 -0.117 0.000 1.462 174 I CB -0.121 37.646 38.000 -0.389 0.000 1.092 174 I HN -0.007 nan 8.210 nan 0.000 0.442 175 F N 0.033 120.121 119.950 0.230 0.000 2.188 175 F HA 0.150 4.677 4.527 -0.000 0.000 0.289 175 F C 1.539 177.445 175.800 0.177 0.000 1.082 175 F CA 0.115 58.226 58.000 0.185 0.000 1.282 175 F CB -1.038 37.989 39.000 0.045 0.000 1.060 175 F HN -0.115 nan 8.300 nan 0.000 0.493 176 Q N 0.133 120.135 119.800 0.337 0.000 2.414 176 Q HA 0.250 4.590 4.340 -0.000 0.000 0.288 176 Q C 1.352 177.452 176.000 0.166 0.000 1.086 176 Q CA 1.094 57.014 55.803 0.196 0.000 0.943 176 Q CB 0.006 28.830 28.738 0.143 0.000 1.282 176 Q HN 0.578 nan 8.270 nan 0.000 0.438 177 G N 0.997 109.865 108.800 0.114 0.000 2.299 177 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.237 177 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.237 177 G C -0.185 174.763 174.900 0.080 0.000 1.027 177 G CA 0.075 45.226 45.100 0.085 0.000 0.619 177 G HN 0.552 nan 8.290 nan 0.000 0.513 178 R N 1.209 121.782 120.500 0.122 0.000 2.349 178 R HA 0.608 4.948 4.340 -0.000 0.000 0.299 178 R C 0.919 177.205 176.300 -0.022 0.000 1.027 178 R CA -0.017 56.120 56.100 0.062 0.000 0.958 178 R CB 0.504 30.875 30.300 0.118 0.000 1.047 178 R HN 0.591 nan 8.270 nan 0.000 0.468 179 N N 0.697 119.355 118.700 -0.070 0.000 1.202 179 N HA -0.338 4.402 4.740 -0.000 0.000 0.108 179 N C -0.497 174.999 175.510 -0.023 0.000 0.816 179 N CA 1.718 54.724 53.050 -0.072 0.000 0.848 179 N CB -0.492 37.901 38.487 -0.157 0.000 0.972 179 N HN 0.851 nan 8.380 nan 0.000 0.645 180 D N -0.218 120.179 120.400 -0.005 0.000 3.671 180 D HA 0.253 4.893 4.640 -0.000 0.000 0.291 180 D C -2.812 173.501 176.300 0.022 0.000 1.373 180 D CA -0.863 53.136 54.000 -0.002 0.000 0.753 180 D CB 0.257 41.042 40.800 -0.025 0.000 1.338 180 D HN 0.332 nan 8.370 nan 0.000 0.690 181 P HA 0.106 nan 4.420 nan 0.000 0.270 181 P C 0.494 177.807 177.300 0.020 0.000 1.227 181 P CA -0.211 62.964 63.100 0.125 0.000 0.788 181 P CB 1.118 32.966 31.700 0.247 0.000 0.926 182 M N -0.734 118.885 119.600 0.031 0.000 2.638 182 M HA 0.231 4.711 4.480 -0.000 0.000 0.256 182 M C 0.401 176.668 176.300 -0.055 0.000 1.282 182 M CA 0.664 55.954 55.300 -0.017 0.000 1.155 182 M CB 0.322 32.932 32.600 0.018 0.000 1.345 182 M HN 0.256 nan 8.290 nan 0.000 0.523 183 M N 0.827 120.422 119.600 -0.009 0.000 2.294 183 M HA 0.502 4.982 4.480 -0.000 0.000 0.280 183 M C -2.128 174.129 176.300 -0.071 0.000 1.085 183 M CA -0.297 54.935 55.300 -0.115 0.000 0.969 183 M CB 2.053 34.628 32.600 -0.041 0.000 1.770 183 M HN 0.024 nan 8.290 nan 0.000 0.485 184 I N 4.417 124.816 120.570 -0.285 0.000 2.404 184 I HA 0.371 4.541 4.170 -0.000 0.000 0.293 184 I C -1.334 174.559 176.117 -0.373 0.000 0.992 184 I CA -0.812 60.395 61.300 -0.156 0.000 1.149 184 I CB 1.500 39.362 38.000 -0.231 0.000 1.315 184 I HN 0.575 nan 8.210 nan 0.000 0.446 185 Y N 6.369 126.534 120.300 -0.225 0.000 2.434 185 Y HA 0.429 4.979 4.550 -0.000 0.000 0.341 185 Y C -0.220 175.577 175.900 -0.170 0.000 0.965 185 Y CA -0.699 57.207 58.100 -0.323 0.000 1.205 185 Y CB 0.640 38.568 38.460 -0.887 0.000 1.121 185 Y HN 0.287 nan 8.280 nan 0.000 0.507 186 L N 3.061 124.284 121.223 0.001 0.000 2.376 186 L HA 0.706 5.046 4.340 -0.000 0.000 0.267 186 L C -0.407 176.514 176.870 0.085 0.000 1.035 186 L CA -1.377 53.495 54.840 0.053 0.000 0.800 186 L CB 1.653 43.726 42.059 0.024 0.000 1.290 186 L HN 0.311 nan 8.230 nan 0.000 0.462 187 V N 2.210 122.194 119.914 0.118 0.000 2.770 187 V HA 0.348 4.468 4.120 -0.000 0.000 0.280 187 V C -1.575 174.600 176.094 0.136 0.000 1.189 187 V CA -0.597 61.759 62.300 0.094 0.000 0.932 187 V CB 1.131 32.988 31.823 0.057 0.000 1.065 187 V HN 0.780 nan 8.190 nan 0.000 0.462 188 W N 6.698 127.993 121.300 -0.009 0.000 2.449 188 W HA 0.856 5.516 4.660 -0.000 0.000 0.331 188 W C -1.001 175.512 176.519 -0.009 0.000 1.119 188 W CA -0.837 56.499 57.345 -0.015 0.000 1.240 188 W CB 1.178 30.611 29.460 -0.044 0.000 1.251 188 W HN 0.571 nan 8.180 nan 0.000 0.576 189 R N 1.897 122.472 120.500 0.126 0.000 2.836 189 R HA 0.510 4.850 4.340 -0.000 0.000 0.269 189 R C -0.629 175.768 176.300 0.162 0.000 1.010 189 R CA -1.367 54.698 56.100 -0.058 0.000 0.930 189 R CB 2.617 32.896 30.300 -0.036 0.000 1.218 189 R HN 0.446 nan 8.270 nan 0.000 0.473 190 R N 1.250 121.799 120.500 0.083 0.000 2.265 190 R HA 0.339 4.679 4.340 -0.000 0.000 0.319 190 R C -0.160 176.198 176.300 0.096 0.000 1.006 190 R CA -0.392 55.800 56.100 0.153 0.000 0.880 190 R CB 0.787 31.176 30.300 0.148 0.000 1.077 190 R HN 0.453 nan 8.270 nan 0.000 0.454 191 I N 3.554 124.169 120.570 0.076 0.000 2.349 191 I HA -0.040 4.130 4.170 -0.000 0.000 0.302 191 I C 1.300 177.538 176.117 0.202 0.000 1.180 191 I CA 0.089 61.443 61.300 0.090 0.000 1.405 191 I CB 0.427 38.428 38.000 0.002 0.000 1.474 191 I HN 0.607 nan 8.210 nan 0.000 0.632 192 E N 4.073 124.376 120.200 0.171 0.000 2.219 192 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 192 E C 0.477 177.206 176.600 0.215 0.000 0.998 192 E CA 1.242 57.748 56.400 0.176 0.000 0.818 192 E CB 0.123 29.884 29.700 0.102 0.000 0.741 192 E HN 0.634 nan 8.360 nan 0.000 0.477 193 N N -0.619 118.227 118.700 0.243 0.000 2.533 193 N HA 0.171 4.911 4.740 -0.000 0.000 0.289 193 N C -1.453 174.222 175.510 0.274 0.000 1.103 193 N CA -0.385 52.769 53.050 0.174 0.000 0.877 193 N CB 0.499 39.035 38.487 0.082 0.000 1.419 193 N HN -0.057 nan 8.380 nan 0.000 0.517 194 F N 1.398 121.388 119.950 0.066 0.000 2.664 194 F HA 0.870 5.397 4.527 -0.000 0.000 0.329 194 F C -0.569 175.282 175.800 0.085 0.000 1.090 194 F CA -1.312 56.741 58.000 0.087 0.000 0.978 194 F CB 0.539 39.614 39.000 0.126 0.000 1.378 194 F HN 0.258 nan 8.300 nan 0.000 0.495 195 A N 2.769 125.751 122.820 0.271 0.000 2.331 195 A HA 0.663 4.983 4.320 -0.000 0.000 0.283 195 A C -0.212 177.506 177.584 0.224 0.000 1.142 195 A CA -0.631 51.498 52.037 0.152 0.000 0.812 195 A CB 0.287 19.386 19.000 0.165 0.000 1.074 195 A HN 0.712 nan 8.150 nan 0.000 0.497 196 M N 1.573 121.210 119.600 0.062 0.000 2.371 196 M HA 0.353 4.833 4.480 -0.000 0.000 0.301 196 M C 1.716 178.084 176.300 0.113 0.000 1.173 196 M CA -0.114 55.213 55.300 0.045 0.000 1.020 196 M CB 0.903 33.413 32.600 -0.150 0.000 1.490 196 M HN 0.893 nan 8.290 nan 0.000 0.485 197 A N 0.800 123.687 122.820 0.113 0.000 1.954 197 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 197 A C 1.736 179.368 177.584 0.079 0.000 1.199 197 A CA 1.845 53.968 52.037 0.144 0.000 0.657 197 A CB -0.421 18.639 19.000 0.100 0.000 0.823 197 A HN 0.806 nan 8.150 nan 0.000 0.463 198 Q N -2.906 116.910 119.800 0.026 0.000 2.376 198 Q HA 0.209 4.549 4.340 -0.000 0.000 0.206 198 Q C 1.465 177.477 176.000 0.019 0.000 0.921 198 Q CA 1.151 56.963 55.803 0.015 0.000 0.911 198 Q CB 0.575 29.305 28.738 -0.013 0.000 1.032 198 Q HN 1.047 nan 8.270 nan 0.000 0.510 199 G N 1.451 110.262 108.800 0.018 0.000 2.318 199 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.172 199 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.172 199 G C -0.066 174.828 174.900 -0.010 0.000 1.002 199 G CA -0.100 45.011 45.100 0.019 0.000 0.697 199 G HN 0.493 nan 8.290 nan 0.000 0.483 200 N N 0.663 119.337 118.700 -0.043 0.000 2.525 200 N HA 0.507 5.247 4.740 -0.000 0.000 0.271 200 N C 0.131 175.570 175.510 -0.119 0.000 1.194 200 N CA 0.197 53.202 53.050 -0.074 0.000 0.964 200 N CB 1.129 39.562 38.487 -0.090 0.000 1.126 200 N HN 0.037 nan 8.380 nan 0.000 0.452 201 S N 0.463 116.091 115.700 -0.120 0.000 2.488 201 S HA 0.040 4.510 4.470 -0.000 0.000 0.278 201 S C -0.162 174.275 174.600 -0.271 0.000 1.259 201 S CA -0.403 57.697 58.200 -0.167 0.000 1.061 201 S CB 0.445 63.585 63.200 -0.101 0.000 0.910 201 S HN 0.653 nan 8.310 nan 0.000 0.491 202 Q N 2.114 121.612 119.800 -0.504 0.000 2.342 202 Q HA 0.491 4.831 4.340 -0.000 0.000 0.267 202 Q C -1.067 174.559 176.000 -0.624 0.000 1.038 202 Q CA -0.606 54.803 55.803 -0.657 0.000 0.832 202 Q CB 1.247 29.375 28.738 -1.017 0.000 1.323 202 Q HN 0.527 nan 8.270 nan 0.000 0.448 203 Q N 0.576 120.220 119.800 -0.261 0.000 2.235 203 Q HA 0.549 4.889 4.340 -0.000 0.000 0.256 203 Q C -1.123 174.987 176.000 0.183 0.000 0.951 203 Q CA -0.190 55.604 55.803 -0.016 0.000 0.890 203 Q CB 2.011 30.747 28.738 -0.003 0.000 1.279 203 Q HN 0.656 nan 8.270 nan 0.000 0.444 204 T N 3.480 118.221 114.554 0.312 0.000 2.749 204 T HA 0.323 4.673 4.350 -0.000 0.000 0.287 204 T C -0.637 174.162 174.700 0.166 0.000 0.970 204 T CA -0.786 61.496 62.100 0.303 0.000 0.980 204 T CB 0.777 69.818 68.868 0.288 0.000 0.924 204 T HN 0.330 nan 8.240 nan 0.000 0.456 205 Q N 1.605 121.482 119.800 0.129 0.000 2.306 205 Q HA 0.519 4.859 4.340 -0.000 0.000 0.241 205 Q C -0.015 176.039 176.000 0.089 0.000 0.948 205 Q CA -0.540 55.316 55.803 0.089 0.000 0.886 205 Q CB 1.025 29.802 28.738 0.066 0.000 1.227 205 Q HN 0.807 nan 8.270 nan 0.000 0.457 206 A N 0.553 123.416 122.820 0.072 0.000 2.444 206 A HA 0.497 4.817 4.320 -0.000 0.000 0.273 206 A C 0.967 178.593 177.584 0.071 0.000 1.136 206 A CA 0.796 52.876 52.037 0.072 0.000 0.799 206 A CB -0.454 18.577 19.000 0.052 0.000 1.081 206 A HN 0.862 nan 8.150 nan 0.000 0.509 207 G N 1.531 110.386 108.800 0.091 0.000 3.578 207 G HA2 0.013 3.974 3.960 -0.000 0.000 0.220 207 G HA3 0.013 3.974 3.960 -0.000 0.000 0.220 207 G C 0.052 175.001 174.900 0.080 0.000 0.933 207 G CA 0.046 45.192 45.100 0.076 0.000 0.847 207 G HN 1.021 nan 8.290 nan 0.000 0.612 208 V N 2.904 122.878 119.914 0.100 0.000 2.673 208 V HA 0.496 4.616 4.120 -0.000 0.000 0.303 208 V C 0.978 177.102 176.094 0.050 0.000 1.046 208 V CA 0.973 63.304 62.300 0.052 0.000 1.126 208 V CB 0.854 32.713 31.823 0.060 0.000 0.934 208 V HN 0.717 nan 8.190 nan 0.000 0.487 209 T N 1.664 116.162 114.554 -0.094 0.000 2.908 209 T HA 0.791 5.141 4.350 -0.000 0.000 0.290 209 T C -0.914 173.534 174.700 -0.419 0.000 1.034 209 T CA -0.792 61.221 62.100 -0.144 0.000 1.010 209 T CB 1.941 70.785 68.868 -0.040 0.000 1.068 209 T HN 0.356 nan 8.240 nan 0.000 0.481 210 V N 2.548 122.157 119.914 -0.508 0.000 2.524 210 V HA 0.661 4.781 4.120 -0.000 0.000 0.297 210 V C -0.171 175.741 176.094 -0.304 0.000 1.035 210 V CA -0.818 61.102 62.300 -0.633 0.000 0.867 210 V CB 1.555 32.584 31.823 -1.323 0.000 1.004 210 V HN 1.242 nan 8.190 nan 0.000 0.426 211 S N 4.106 119.682 115.700 -0.208 0.000 2.482 211 S HA 0.852 5.322 4.470 -0.000 0.000 0.303 211 S C -0.822 173.690 174.600 -0.145 0.000 1.091 211 S CA -0.744 57.388 58.200 -0.113 0.000 1.057 211 S CB 1.973 65.147 63.200 -0.043 0.000 1.031 211 S HN 0.407 nan 8.310 nan 0.000 0.485 212 V N 2.420 122.251 119.914 -0.138 0.000 2.435 212 V HA 0.678 4.798 4.120 -0.000 0.000 0.290 212 V C 1.376 177.421 176.094 -0.082 0.000 1.030 212 V CA 0.005 62.199 62.300 -0.175 0.000 0.881 212 V CB 0.579 32.283 31.823 -0.198 0.000 0.983 212 V HN 1.502 nan 8.190 nan 0.000 0.445 213 G N 3.226 111.991 108.800 -0.059 0.000 2.380 213 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.298 213 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.298 213 G C 1.215 176.096 174.900 -0.031 0.000 0.989 213 G CA 1.293 46.382 45.100 -0.019 0.000 0.836 213 G HN 2.175 nan 8.290 nan 0.000 0.511 214 G N -2.618 106.153 108.800 -0.048 0.000 2.397 214 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.211 214 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.211 214 G C 0.852 175.733 174.900 -0.032 0.000 1.077 214 G CA 0.737 45.810 45.100 -0.046 0.000 0.649 214 G HN 1.867 nan 8.290 nan 0.000 0.511 215 V N 2.362 122.261 119.914 -0.024 0.000 2.637 215 V HA 0.497 4.617 4.120 -0.000 0.000 0.296 215 V C 0.329 176.415 176.094 -0.012 0.000 1.046 215 V CA 0.568 62.861 62.300 -0.011 0.000 1.066 215 V CB 1.335 33.156 31.823 -0.002 0.000 0.968 215 V HN 0.469 nan 8.190 nan 0.000 0.483 216 D N 6.044 126.446 120.400 0.004 0.000 2.308 216 D HA 0.363 5.003 4.640 -0.000 0.000 0.251 216 D C -0.270 176.061 176.300 0.052 0.000 1.127 216 D CA -0.247 53.764 54.000 0.018 0.000 0.876 216 D CB 0.636 41.454 40.800 0.030 0.000 1.176 216 D HN 0.413 nan 8.370 nan 0.000 0.446 217 M N 2.499 122.153 119.600 0.089 0.000 2.578 217 M HA 0.413 4.893 4.480 -0.000 0.000 0.321 217 M C 0.274 176.774 176.300 0.333 0.000 1.182 217 M CA -0.594 54.809 55.300 0.173 0.000 0.965 217 M CB 1.777 34.479 32.600 0.171 0.000 1.694 217 M HN 0.351 nan 8.290 nan 0.000 0.461 218 R N 0.452 121.081 120.500 0.215 0.000 2.577 218 R HA 0.704 5.044 4.340 -0.000 0.000 0.269 218 R C -0.157 176.055 176.300 -0.146 0.000 1.084 218 R CA -0.478 55.683 56.100 0.101 0.000 1.163 218 R CB 0.753 31.051 30.300 -0.003 0.000 1.100 218 R HN 0.814 nan 8.270 nan 0.000 0.547 219 A N 0.111 122.559 122.820 -0.621 0.000 2.310 219 A HA 0.516 4.836 4.320 -0.000 0.000 0.299 219 A C 0.885 178.085 177.584 -0.640 0.000 1.147 219 A CA 0.251 51.459 52.037 -1.382 0.000 0.818 219 A CB 0.778 18.725 19.000 -1.756 0.000 1.096 219 A HN 0.842 nan 8.150 nan 0.000 0.495 220 G N 0.707 109.195 108.800 -0.520 0.000 2.176 220 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 220 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 220 G C 0.257 175.073 174.900 -0.139 0.000 0.979 220 G CA 0.657 45.608 45.100 -0.249 0.000 0.641 220 G HN 0.855 nan 8.290 nan 0.000 0.530 221 R N -0.303 120.117 120.500 -0.134 0.000 2.664 221 R HA 0.761 5.101 4.340 -0.000 0.000 0.286 221 R C 0.770 177.076 176.300 0.009 0.000 0.967 221 R CA -0.822 55.254 56.100 -0.040 0.000 0.933 221 R CB 0.780 31.065 30.300 -0.025 0.000 1.146 221 R HN 0.259 nan 8.270 nan 0.000 0.468 222 I N 3.305 123.905 120.570 0.049 0.000 2.696 222 I HA 0.194 4.364 4.170 -0.000 0.000 0.284 222 I C -0.114 176.054 176.117 0.085 0.000 1.129 222 I CA 0.113 61.465 61.300 0.087 0.000 1.410 222 I CB 0.519 38.599 38.000 0.134 0.000 1.399 222 I HN 0.366 nan 8.210 nan 0.000 0.579 223 I N 4.874 125.485 120.570 0.068 0.000 2.478 223 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 223 I C 0.020 176.086 176.117 -0.084 0.000 1.042 223 I CA -0.328 60.986 61.300 0.022 0.000 1.067 223 I CB 1.915 39.928 38.000 0.023 0.000 1.233 223 I HN 0.569 nan 8.210 nan 0.000 0.431 224 A N 6.000 128.752 122.820 -0.113 0.000 2.539 224 A HA 0.300 4.620 4.320 -0.000 0.000 0.306 224 A C -1.178 176.323 177.584 -0.138 0.000 1.392 224 A CA -0.109 51.734 52.037 -0.323 0.000 1.060 224 A CB -0.312 18.590 19.000 -0.162 0.000 1.134 224 A HN 0.689 nan 8.150 nan 0.000 0.542 225 W N 4.501 125.553 121.300 -0.413 0.000 2.429 225 W HA 0.374 5.034 4.660 -0.000 0.000 0.314 225 W C 0.315 176.673 176.519 -0.268 0.000 1.062 225 W CA -1.438 55.727 57.345 -0.299 0.000 1.211 225 W CB 1.146 30.412 29.460 -0.324 0.000 1.305 225 W HN 0.777 nan 8.180 nan 0.000 0.476 226 D N 3.111 123.318 120.400 -0.323 0.000 2.363 226 D HA 0.021 4.661 4.640 -0.000 0.000 0.226 226 D C 1.576 177.416 176.300 -0.767 0.000 1.020 226 D CA 0.765 54.510 54.000 -0.424 0.000 0.892 226 D CB -0.135 40.560 40.800 -0.175 0.000 0.900 226 D HN 0.808 nan 8.370 nan 0.000 0.531 227 G N 1.071 108.766 108.800 -1.843 0.000 2.302 227 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.263 227 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.263 227 G C 1.257 175.758 174.900 -0.664 0.000 0.995 227 G CA 0.557 44.553 45.100 -1.841 0.000 0.622 227 G HN 0.381 nan 8.290 nan 0.000 0.538 228 Q N -0.012 119.610 119.800 -0.297 0.000 2.373 228 Q HA 0.499 4.839 4.340 -0.000 0.000 0.210 228 Q C 1.716 177.807 176.000 0.151 0.000 0.913 228 Q CA 0.921 56.708 55.803 -0.026 0.000 0.911 228 Q CB 0.125 28.833 28.738 -0.051 0.000 1.040 228 Q HN 0.964 nan 8.270 nan 0.000 0.521 229 A N 1.227 124.228 122.820 0.301 0.000 2.366 229 A HA 0.524 4.844 4.320 -0.000 0.000 0.249 229 A C -0.024 177.731 177.584 0.285 0.000 1.084 229 A CA 0.157 52.365 52.037 0.285 0.000 0.794 229 A CB 0.199 19.357 19.000 0.263 0.000 1.034 229 A HN 0.229 nan 8.150 nan 0.000 0.491 230 A N 0.893 123.770 122.820 0.094 0.000 2.484 230 A HA 0.433 4.753 4.320 -0.000 0.000 0.268 230 A C -0.108 177.407 177.584 -0.116 0.000 1.114 230 A CA -0.173 51.876 52.037 0.018 0.000 0.780 230 A CB -0.418 18.576 19.000 -0.010 0.000 1.061 230 A HN 1.246 nan 8.150 nan 0.000 0.505 231 L N 4.258 125.362 121.223 -0.198 0.000 2.352 231 L HA 0.344 4.684 4.340 -0.000 0.000 0.272 231 L C -0.264 176.492 176.870 -0.190 0.000 1.109 231 L CA -0.028 54.574 54.840 -0.397 0.000 0.952 231 L CB -0.367 41.291 42.059 -0.668 0.000 1.314 231 L HN 0.735 nan 8.230 nan 0.000 0.427 232 H N 2.569 121.486 119.070 -0.255 0.000 2.488 232 H HA 0.663 5.219 4.556 -0.000 0.000 0.322 232 H C -1.024 174.156 175.328 -0.246 0.000 1.078 232 H CA -0.459 55.467 56.048 -0.203 0.000 1.260 232 H CB 1.196 30.870 29.762 -0.147 0.000 1.425 232 H HN 0.330 nan 8.280 nan 0.000 0.471 233 V N 6.067 125.596 119.914 -0.642 0.000 2.581 233 V HA 0.551 4.671 4.120 -0.000 0.000 0.303 233 V C 0.039 175.793 176.094 -0.567 0.000 1.041 233 V CA -0.860 61.115 62.300 -0.540 0.000 0.907 233 V CB 1.699 33.255 31.823 -0.444 0.000 0.994 233 V HN 0.773 nan 8.190 nan 0.000 0.442 234 R N 2.170 122.462 120.500 -0.346 0.000 2.686 234 R HA 0.461 4.801 4.340 -0.000 0.000 0.283 234 R C -0.912 175.309 176.300 -0.132 0.000 0.978 234 R CA -0.741 55.236 56.100 -0.206 0.000 0.897 234 R CB 1.761 32.008 30.300 -0.089 0.000 1.192 234 R HN 0.680 nan 8.270 nan 0.000 0.457 235 N N 3.144 121.795 118.700 -0.080 0.000 2.904 235 N HA 0.200 4.940 4.740 -0.000 0.000 0.257 235 N C -2.058 173.449 175.510 -0.006 0.000 1.363 235 N CA -2.150 50.880 53.050 -0.033 0.000 0.856 235 N CB 1.022 39.501 38.487 -0.014 0.000 1.166 235 N HN 0.327 nan 8.380 nan 0.000 0.499 236 P HA -0.003 nan 4.420 nan 0.000 0.242 236 P C 0.245 177.556 177.300 0.017 0.000 1.197 236 P CA 0.303 63.408 63.100 0.009 0.000 0.765 236 P CB 0.215 31.921 31.700 0.011 0.000 0.936 237 T N 1.178 115.747 114.554 0.024 0.000 2.909 237 T HA 0.140 4.490 4.350 -0.000 0.000 0.289 237 T C 0.602 175.318 174.700 0.027 0.000 1.005 237 T CA -0.282 61.836 62.100 0.030 0.000 1.084 237 T CB 0.335 69.230 68.868 0.045 0.000 0.975 237 T HN -0.096 nan 8.240 nan 0.000 0.509 238 Q N 3.984 123.797 119.800 0.021 0.000 3.247 238 Q HA 0.326 4.666 4.340 -0.000 0.000 0.326 238 Q C -0.190 175.816 176.000 0.010 0.000 1.402 238 Q CA 0.225 56.036 55.803 0.013 0.000 0.994 238 Q CB 0.019 28.761 28.738 0.006 0.000 1.647 238 Q HN 0.613 nan 8.270 nan 0.000 0.523 239 Q N -0.144 119.668 119.800 0.021 0.000 2.829 239 Q HA 0.209 4.549 4.340 -0.000 0.000 0.296 239 Q C -1.202 174.829 176.000 0.052 0.000 0.893 239 Q CA -0.684 55.128 55.803 0.016 0.000 0.772 239 Q CB 1.309 30.061 28.738 0.023 0.000 1.489 239 Q HN 0.357 nan 8.270 nan 0.000 0.420 240 N N 0.030 118.750 118.700 0.034 0.000 2.520 240 N HA 0.482 5.222 4.740 -0.000 0.000 0.273 240 N C -1.020 174.687 175.510 0.328 0.000 1.155 240 N CA 0.163 53.280 53.050 0.111 0.000 0.967 240 N CB 1.081 39.427 38.487 -0.235 0.000 1.092 240 N HN 0.496 nan 8.380 nan 0.000 0.457 241 A N 2.275 125.294 122.820 0.332 0.000 2.380 241 A HA 0.787 5.107 4.320 -0.000 0.000 0.315 241 A C -0.806 176.776 177.584 -0.003 0.000 1.101 241 A CA -0.632 51.526 52.037 0.201 0.000 0.771 241 A CB 1.166 20.232 19.000 0.109 0.000 1.287 241 A HN 0.600 nan 8.150 nan 0.000 0.436 242 M N 2.072 121.495 119.600 -0.296 0.000 2.224 242 M HA 0.428 4.908 4.480 -0.000 0.000 0.281 242 M C -1.135 175.030 176.300 -0.225 0.000 1.025 242 M CA -0.653 54.382 55.300 -0.441 0.000 0.954 242 M CB 2.111 34.113 32.600 -0.997 0.000 1.639 242 M HN 0.704 nan 8.290 nan 0.000 0.461 243 V N 1.614 121.446 119.914 -0.138 0.000 2.769 243 V HA 0.725 4.845 4.120 -0.000 0.000 0.312 243 V C -0.898 175.190 176.094 -0.010 0.000 1.061 243 V CA -0.748 61.551 62.300 -0.002 0.000 0.931 243 V CB 1.738 33.578 31.823 0.029 0.000 1.010 243 V HN 0.942 nan 8.190 nan 0.000 0.433 244 Q N 3.504 123.348 119.800 0.075 0.000 2.333 244 Q HA 0.754 5.094 4.340 -0.000 0.000 0.265 244 Q C -1.292 174.791 176.000 0.138 0.000 0.989 244 Q CA -0.646 55.193 55.803 0.060 0.000 0.842 244 Q CB 2.069 30.837 28.738 0.050 0.000 1.262 244 Q HN 0.800 nan 8.270 nan 0.000 0.451 245 I N 2.789 123.428 120.570 0.115 0.000 2.336 245 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 245 I C -0.322 175.912 176.117 0.194 0.000 0.991 245 I CA -0.681 60.727 61.300 0.180 0.000 1.227 245 I CB 1.805 39.905 38.000 0.166 0.000 1.366 245 I HN 0.701 nan 8.210 nan 0.000 0.466 246 Q N 5.665 125.582 119.800 0.194 0.000 2.333 246 Q HA 0.430 4.770 4.340 -0.000 0.000 0.267 246 Q C -1.452 174.667 176.000 0.198 0.000 1.012 246 Q CA -0.707 55.215 55.803 0.197 0.000 0.824 246 Q CB 2.432 31.263 28.738 0.156 0.000 1.290 246 Q HN 0.495 nan 8.270 nan 0.000 0.449 247 V N 5.719 125.773 119.914 0.233 0.000 2.299 247 V HA 0.028 4.148 4.120 -0.000 0.000 0.255 247 V C 1.069 177.293 176.094 0.217 0.000 1.100 247 V CA 0.035 62.447 62.300 0.186 0.000 0.938 247 V CB 0.624 32.532 31.823 0.143 0.000 1.139 247 V HN 0.813 nan 8.190 nan 0.000 0.490 248 V N 6.661 126.683 119.914 0.179 0.000 2.407 248 V HA 0.013 4.133 4.120 -0.000 0.000 0.248 248 V C 0.425 176.753 176.094 0.390 0.000 1.055 248 V CA 2.115 64.558 62.300 0.238 0.000 1.049 248 V CB -0.252 31.697 31.823 0.210 0.000 0.662 248 V HN 0.869 nan 8.190 nan 0.000 0.455 249 F N -1.776 118.354 119.950 0.299 0.000 2.793 249 F HA 0.577 5.104 4.527 -0.000 0.000 0.316 249 F C -1.403 174.711 175.800 0.524 0.000 1.147 249 F CA -1.698 56.508 58.000 0.343 0.000 0.930 249 F CB 0.345 39.423 39.000 0.131 0.000 1.277 249 F HN 0.115 nan 8.300 nan 0.000 0.443 250 Y N 1.743 122.321 120.300 0.464 0.000 2.644 250 Y HA 0.885 5.435 4.550 -0.000 0.000 0.338 250 Y C -1.160 174.965 175.900 0.375 0.000 1.119 250 Y CA -2.754 55.580 58.100 0.390 0.000 1.060 250 Y CB 1.258 39.908 38.460 0.318 0.000 1.294 250 Y HN 0.912 nan 8.280 nan 0.000 0.472 251 I N 0.965 121.704 120.570 0.281 0.000 2.545 251 I HA 0.931 5.101 4.170 -0.000 0.000 0.292 251 I C -0.716 175.434 176.117 0.055 0.000 1.040 251 I CA -0.783 60.569 61.300 0.086 0.000 1.068 251 I CB 2.297 40.411 38.000 0.191 0.000 1.251 251 I HN 0.821 nan 8.210 nan 0.000 0.424 252 S N 4.452 120.130 115.700 -0.037 0.000 2.661 252 S HA 0.565 5.035 4.470 -0.000 0.000 0.285 252 S C -0.123 174.482 174.600 0.008 0.000 1.138 252 S CA -0.983 57.217 58.200 0.001 0.000 0.855 252 S CB 2.034 65.231 63.200 -0.006 0.000 1.136 252 S HN 0.798 nan 8.310 nan 0.000 0.484 253 M N 1.604 121.218 119.600 0.023 0.000 2.729 253 M HA 0.244 4.724 4.480 -0.000 0.000 0.229 253 M C -0.907 175.466 176.300 0.121 0.000 1.280 253 M CA 0.066 55.407 55.300 0.070 0.000 1.012 253 M CB -0.608 32.011 32.600 0.031 0.000 1.603 253 M HN 0.524 nan 8.290 nan 0.000 0.452 254 D N 1.041 121.480 120.400 0.065 0.000 2.193 254 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 254 D C -0.020 176.315 176.300 0.058 0.000 1.034 254 D CA -0.244 53.799 54.000 0.071 0.000 0.902 254 D CB 1.144 41.961 40.800 0.027 0.000 1.182 254 D HN -0.096 nan 8.370 nan 0.000 0.436 255 K N 1.028 121.469 120.400 0.068 0.000 2.322 255 K HA 0.260 4.580 4.320 -0.000 0.000 0.283 255 K C 0.558 177.179 176.600 0.034 0.000 1.042 255 K CA -0.206 56.109 56.287 0.046 0.000 0.958 255 K CB 0.740 33.265 32.500 0.041 0.000 0.984 255 K HN 0.573 nan 8.250 nan 0.000 0.473 256 T N -1.504 113.056 114.554 0.010 0.000 2.870 256 T HA 0.333 4.683 4.350 -0.000 0.000 0.277 256 T C 1.057 175.761 174.700 0.006 0.000 1.000 256 T CA -0.820 61.273 62.100 -0.012 0.000 0.982 256 T CB 0.531 69.362 68.868 -0.061 0.000 1.249 256 T HN 0.182 nan 8.240 nan 0.000 0.589 257 L N 0.585 121.803 121.223 -0.008 0.000 2.552 257 L HA 0.281 4.621 4.340 -0.000 0.000 0.227 257 L C 1.468 178.352 176.870 0.024 0.000 1.146 257 L CA 1.078 55.928 54.840 0.016 0.000 0.858 257 L CB -1.157 40.904 42.059 0.003 0.000 0.969 257 L HN 0.637 nan 8.230 nan 0.000 0.451 258 N N -1.325 117.374 118.700 -0.002 0.000 2.295 258 N HA -0.029 4.711 4.740 -0.000 0.000 0.221 258 N C 1.468 176.983 175.510 0.009 0.000 1.129 258 N CA -0.100 52.946 53.050 -0.007 0.000 0.836 258 N CB 0.268 38.729 38.487 -0.043 0.000 1.040 258 N HN 0.478 nan 8.380 nan 0.000 0.494 259 Q N -0.246 119.579 119.800 0.041 0.000 2.172 259 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 259 Q C -0.150 175.914 176.000 0.107 0.000 0.964 259 Q CA 0.952 56.789 55.803 0.056 0.000 0.855 259 Q CB -0.018 28.755 28.738 0.057 0.000 0.918 259 Q HN 0.439 nan 8.270 nan 0.000 0.444 260 Y N 1.780 122.072 120.300 -0.013 0.000 2.421 260 Y HA 0.385 4.935 4.550 -0.000 0.000 0.339 260 Y C -2.656 173.241 175.900 -0.004 0.000 0.996 260 Y CA -3.127 54.967 58.100 -0.010 0.000 1.046 260 Y CB 1.783 40.239 38.460 -0.006 0.000 1.226 260 Y HN -0.062 nan 8.280 nan 0.000 0.445 261 P HA -0.080 nan 4.420 nan 0.000 0.259 261 P C 0.191 177.469 177.300 -0.036 0.000 1.155 261 P CA 1.711 64.656 63.100 -0.259 0.000 0.759 261 P CB 0.290 31.746 31.700 -0.406 0.000 0.753 262 A N 2.808 125.636 122.820 0.013 0.000 2.715 262 A HA -0.240 4.080 4.320 -0.000 0.000 0.301 262 A C 1.429 179.097 177.584 0.140 0.000 1.515 262 A CA 1.016 53.091 52.037 0.064 0.000 0.816 262 A CB -2.303 16.727 19.000 0.049 0.000 1.004 262 A HN 0.668 nan 8.150 nan 0.000 0.483 263 L N -1.122 120.215 121.223 0.189 0.000 2.043 263 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 263 L C 2.661 179.621 176.870 0.149 0.000 1.075 263 L CA 2.566 57.532 54.840 0.210 0.000 0.752 263 L CB -0.466 41.709 42.059 0.193 0.000 0.891 263 L HN 0.716 nan 8.230 nan 0.000 0.432 264 T N -0.061 114.562 114.554 0.115 0.000 2.597 264 T HA -0.312 4.038 4.350 -0.000 0.000 0.267 264 T C 1.877 176.669 174.700 0.154 0.000 1.053 264 T CA 1.653 63.815 62.100 0.104 0.000 1.165 264 T CB -0.641 68.258 68.868 0.051 0.000 0.863 264 T HN 0.567 nan 8.240 nan 0.000 0.427 265 A N 1.794 124.698 122.820 0.140 0.000 1.948 265 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 265 A C 2.347 180.081 177.584 0.250 0.000 1.177 265 A CA 1.626 53.779 52.037 0.194 0.000 0.636 265 A CB -0.500 18.582 19.000 0.136 0.000 0.815 265 A HN 0.447 nan 8.150 nan 0.000 0.449 266 E N -0.027 120.289 120.200 0.193 0.000 2.031 266 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 266 E C 2.043 178.761 176.600 0.196 0.000 0.994 266 E CA 1.309 57.809 56.400 0.168 0.000 0.800 266 E CB -0.532 29.250 29.700 0.137 0.000 0.752 266 E HN 0.737 nan 8.360 nan 0.000 0.447 267 I N 0.855 121.563 120.570 0.230 0.000 2.151 267 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 267 I C 2.452 178.820 176.117 0.417 0.000 1.080 267 I CA 1.224 62.716 61.300 0.320 0.000 1.339 267 I CB -0.379 37.792 38.000 0.284 0.000 1.039 267 I HN 0.003 nan 8.210 nan 0.000 0.409 268 F N 2.006 122.078 119.950 0.204 0.000 2.120 268 F HA -0.308 4.219 4.527 -0.000 0.000 0.300 268 F C 2.302 178.233 175.800 0.218 0.000 1.095 268 F CA 2.098 60.211 58.000 0.188 0.000 1.249 268 F CB -0.804 38.261 39.000 0.109 0.000 0.995 268 F HN 0.134 nan 8.300 nan 0.000 0.480 269 N N 0.293 119.003 118.700 0.016 0.000 2.120 269 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 269 N C 1.812 177.332 175.510 0.017 0.000 1.024 269 N CA 1.976 54.969 53.050 -0.096 0.000 0.852 269 N CB -0.032 38.468 38.487 0.021 0.000 1.003 269 N HN 0.290 nan 8.380 nan 0.000 0.424 270 V N 0.149 120.134 119.914 0.118 0.000 2.307 270 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 270 V C 1.623 177.767 176.094 0.083 0.000 1.045 270 V CA 1.441 63.820 62.300 0.133 0.000 1.024 270 V CB -1.070 30.750 31.823 -0.004 0.000 0.651 270 V HN 0.294 nan 8.190 nan 0.000 0.449 271 Y N 0.630 121.015 120.300 0.141 0.000 2.561 271 Y HA 0.100 4.650 4.550 -0.000 0.000 0.291 271 Y C 1.799 177.847 175.900 0.246 0.000 1.141 271 Y CA 0.102 58.308 58.100 0.176 0.000 1.303 271 Y CB -0.286 38.277 38.460 0.172 0.000 1.015 271 Y HN 0.140 nan 8.280 nan 0.000 0.547 272 S N 0.386 116.213 115.700 0.211 0.000 2.579 272 S HA -0.049 4.421 4.470 -0.000 0.000 0.275 272 S C 0.899 175.769 174.600 0.449 0.000 1.345 272 S CA -0.574 57.715 58.200 0.148 0.000 1.031 272 S CB 0.426 63.478 63.200 -0.247 0.000 0.892 272 S HN 0.314 nan 8.310 nan 0.000 0.529 273 F N 2.600 122.733 119.950 0.304 0.000 2.053 273 F HA -0.008 4.519 4.527 -0.000 0.000 0.292 273 F C 1.926 177.883 175.800 0.262 0.000 1.125 273 F CA 1.742 59.922 58.000 0.301 0.000 1.193 273 F CB -0.183 38.933 39.000 0.193 0.000 0.996 273 F HN 0.747 nan 8.300 nan 0.000 0.470 274 R N -0.377 120.070 120.500 -0.087 0.000 1.300 274 R HA -0.309 4.031 4.340 -0.000 0.000 0.029 274 R C -0.649 175.306 176.300 -0.576 0.000 0.959 274 R CA 2.031 57.977 56.100 -0.257 0.000 1.961 274 R CB -2.081 28.033 30.300 -0.311 0.000 0.177 274 R HN 0.585 nan 8.270 nan 0.000 0.727 275 D N -2.294 117.550 120.400 -0.927 0.000 2.639 275 D HA 0.286 4.926 4.640 -0.000 0.000 0.271 275 D C 0.121 175.833 176.300 -0.980 0.000 1.254 275 D CA -0.431 52.957 54.000 -1.020 0.000 0.810 275 D CB 0.109 40.750 40.800 -0.265 0.000 1.351 275 D HN 0.256 nan 8.370 nan 0.000 0.427 276 H N -0.613 118.233 119.070 -0.374 0.000 2.353 276 H HA -0.104 4.452 4.556 -0.000 0.000 0.298 276 H C 1.511 176.775 175.328 -0.107 0.000 1.103 276 H CA 2.710 58.726 56.048 -0.053 0.000 1.293 276 H CB -0.517 29.275 29.762 0.050 0.000 1.372 276 H HN 0.497 nan 8.280 nan 0.000 0.501 277 T N 0.807 115.345 114.554 -0.027 0.000 2.607 277 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 277 T C 1.817 176.390 174.700 -0.211 0.000 1.049 277 T CA 1.434 63.447 62.100 -0.145 0.000 1.162 277 T CB -0.710 68.057 68.868 -0.167 0.000 0.863 277 T HN 0.593 nan 8.240 nan 0.000 0.424 278 W N 1.771 122.764 121.300 -0.511 0.000 2.333 278 W HA -0.284 4.376 4.660 -0.000 0.000 0.316 278 W C 2.314 178.608 176.519 -0.375 0.000 1.215 278 W CA 1.805 58.732 57.345 -0.697 0.000 1.278 278 W CB -0.746 28.110 29.460 -1.007 0.000 1.154 278 W HN 0.416 nan 8.180 nan 0.000 0.486 279 H N -0.288 118.439 119.070 -0.572 0.000 2.257 279 H HA -0.189 4.367 4.556 -0.000 0.000 0.292 279 H C 2.499 177.556 175.328 -0.453 0.000 1.075 279 H CA 3.507 59.267 56.048 -0.481 0.000 1.212 279 H CB -0.987 28.690 29.762 -0.142 0.000 1.354 279 H HN 0.145 nan 8.280 nan 0.000 0.497 280 G N 1.186 109.857 108.800 -0.215 0.000 2.475 280 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 280 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 280 G C 1.830 176.549 174.900 -0.301 0.000 1.125 280 G CA 0.840 45.811 45.100 -0.215 0.000 0.755 280 G HN 0.429 nan 8.290 nan 0.000 0.565 281 L N 0.460 121.463 121.223 -0.368 0.000 1.961 281 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 281 L C 2.852 179.428 176.870 -0.491 0.000 1.072 281 L CA 2.114 56.752 54.840 -0.336 0.000 0.749 281 L CB -0.607 41.297 42.059 -0.259 0.000 0.889 281 L HN 0.253 nan 8.230 nan 0.000 0.432 282 R N -0.349 119.611 120.500 -0.900 0.000 2.117 282 R HA -0.192 4.148 4.340 -0.000 0.000 0.243 282 R C 1.889 177.849 176.300 -0.566 0.000 1.143 282 R CA 2.306 57.870 56.100 -0.894 0.000 0.968 282 R CB -0.726 28.747 30.300 -1.378 0.000 0.863 282 R HN 0.450 nan 8.270 nan 0.000 0.444 283 T N 1.088 115.309 114.554 -0.555 0.000 2.588 283 T HA -0.113 4.237 4.350 -0.000 0.000 0.261 283 T C 1.920 176.468 174.700 -0.252 0.000 1.069 283 T CA 2.003 63.865 62.100 -0.396 0.000 1.172 283 T CB -0.607 68.017 68.868 -0.406 0.000 0.863 283 T HN 0.486 nan 8.240 nan 0.000 0.408 284 A N 1.017 123.708 122.820 -0.214 0.000 1.958 284 A HA -0.142 4.178 4.320 -0.000 0.000 0.221 284 A C 2.307 179.824 177.584 -0.112 0.000 1.178 284 A CA 1.634 53.596 52.037 -0.126 0.000 0.642 284 A CB -1.004 17.942 19.000 -0.089 0.000 0.816 284 A HN 0.587 nan 8.150 nan 0.000 0.453 285 I N -1.377 119.099 120.570 -0.157 0.000 2.202 285 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 285 I C 2.660 178.709 176.117 -0.114 0.000 1.091 285 I CA 1.459 62.683 61.300 -0.127 0.000 1.368 285 I CB -0.393 37.510 38.000 -0.162 0.000 1.058 285 I HN 0.266 nan 8.210 nan 0.000 0.410 286 R N 0.836 121.246 120.500 -0.151 0.000 2.241 286 R HA -0.098 4.242 4.340 -0.000 0.000 0.224 286 R C 1.825 178.083 176.300 -0.069 0.000 1.101 286 R CA 0.835 56.866 56.100 -0.115 0.000 0.995 286 R CB -0.379 29.831 30.300 -0.150 0.000 0.870 286 R HN 0.388 nan 8.270 nan 0.000 0.463 287 N N 0.584 119.242 118.700 -0.070 0.000 2.364 287 N HA -0.119 4.620 4.740 -0.000 0.000 0.183 287 N C 1.156 176.650 175.510 -0.027 0.000 1.022 287 N CA 0.990 54.015 53.050 -0.042 0.000 0.883 287 N CB 0.009 38.471 38.487 -0.042 0.000 0.965 287 N HN 0.016 nan 8.380 nan 0.000 0.438 288 R N -0.059 120.422 120.500 -0.031 0.000 2.310 288 R HA 0.118 4.458 4.340 -0.000 0.000 0.202 288 R C 0.736 177.026 176.300 -0.016 0.000 0.933 288 R CA 0.154 56.242 56.100 -0.020 0.000 1.054 288 R CB -0.502 29.786 30.300 -0.020 0.000 0.985 288 R HN 0.349 nan 8.270 nan 0.000 0.489 289 T N -4.184 110.359 114.554 -0.019 0.000 2.919 289 T HA 0.229 4.579 4.350 -0.000 0.000 0.282 289 T C 1.109 175.811 174.700 0.004 0.000 1.020 289 T CA -0.305 61.789 62.100 -0.010 0.000 0.994 289 T CB 1.619 70.477 68.868 -0.017 0.000 1.180 289 T HN 0.104 nan 8.240 nan 0.000 0.566 290 T N -0.681 113.881 114.554 0.013 0.000 3.129 290 T HA 0.289 4.639 4.350 -0.000 0.000 0.251 290 T C 0.339 175.067 174.700 0.046 0.000 1.117 290 T CA -0.318 61.798 62.100 0.027 0.000 1.034 290 T CB -0.368 68.516 68.868 0.026 0.000 0.968 290 T HN 0.266 nan 8.240 nan 0.000 0.526 291 L N 2.772 124.024 121.223 0.048 0.000 2.343 291 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 291 L C -2.197 174.731 176.870 0.098 0.000 1.056 291 L CA -2.899 51.992 54.840 0.086 0.000 0.804 291 L CB 0.696 42.809 42.059 0.090 0.000 1.203 291 L HN -0.047 nan 8.230 nan 0.000 0.440 292 P HA 0.043 nan 4.420 nan 0.000 0.266 292 P C 0.085 177.501 177.300 0.192 0.000 1.215 292 P CA -0.189 63.009 63.100 0.164 0.000 0.763 292 P CB 0.250 32.053 31.700 0.172 0.000 0.806 293 N N 4.332 123.081 118.700 0.081 0.000 2.513 293 N HA -0.195 4.545 4.740 -0.000 0.000 0.187 293 N C 0.987 176.482 175.510 -0.024 0.000 1.056 293 N CA 1.544 54.587 53.050 -0.012 0.000 0.907 293 N CB -0.681 37.776 38.487 -0.049 0.000 0.954 293 N HN 0.601 nan 8.380 nan 0.000 0.445 294 M N -3.755 115.959 119.600 0.191 0.000 2.477 294 M HA 0.339 4.819 4.480 -0.000 0.000 0.457 294 M C -1.151 175.503 176.300 0.591 0.000 1.097 294 M CA -0.257 55.220 55.300 0.295 0.000 1.005 294 M CB 0.628 33.265 32.600 0.062 0.000 2.114 294 M HN -0.155 nan 8.290 nan 0.000 0.710 295 L N 2.673 124.153 121.223 0.429 0.000 2.439 295 L HA 0.648 4.988 4.340 -0.000 0.000 0.270 295 L C -2.500 174.115 176.870 -0.425 0.000 0.972 295 L CA -1.688 53.169 54.840 0.028 0.000 0.836 295 L CB 2.330 44.426 42.059 0.062 0.000 1.255 295 L HN -0.182 nan 8.230 nan 0.000 0.404 296 P HA -0.096 nan 4.420 nan 0.000 0.257 296 P C -2.240 174.859 177.300 -0.335 0.000 1.144 296 P CA -0.334 62.249 63.100 -0.862 0.000 0.761 296 P CB -0.314 31.100 31.700 -0.477 0.000 0.734 297 P HA 0.005 nan 4.420 nan 0.000 0.265 297 P C 0.828 178.084 177.300 -0.073 0.000 1.193 297 P CA 0.269 63.349 63.100 -0.033 0.000 0.765 297 P CB 0.766 32.508 31.700 0.069 0.000 0.823 298 I N 1.678 122.177 120.570 -0.119 0.000 2.179 298 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 298 I C 0.993 176.875 176.117 -0.392 0.000 1.088 298 I CA 1.446 62.556 61.300 -0.317 0.000 1.357 298 I CB -0.550 37.142 38.000 -0.513 0.000 1.051 298 I HN 0.173 nan 8.210 nan 0.000 0.409 299 F N 2.308 122.298 119.950 0.067 0.000 2.420 299 F HA 0.371 4.898 4.527 -0.000 0.000 0.342 299 F C -1.979 173.853 175.800 0.055 0.000 1.113 299 F CA -3.212 54.833 58.000 0.076 0.000 1.059 299 F CB 0.067 39.109 39.000 0.070 0.000 1.128 299 F HN -0.198 nan 8.300 nan 0.000 0.475 300 P HA 0.127 nan 4.420 nan 0.000 0.267 300 P C -2.539 174.839 177.300 0.130 0.000 1.209 300 P CA -0.845 62.337 63.100 0.136 0.000 0.763 300 P CB 0.245 32.004 31.700 0.098 0.000 0.816 301 P HA 0.037 nan 4.420 nan 0.000 0.273 301 P C 0.703 178.029 177.300 0.043 0.000 1.258 301 P CA 0.151 63.293 63.100 0.070 0.000 0.802 301 P CB 0.330 32.062 31.700 0.055 0.000 1.040 302 N N -1.138 117.573 118.700 0.018 0.000 2.039 302 N HA 0.013 4.753 4.740 -0.000 0.000 0.228 302 N C -1.204 174.279 175.510 -0.044 0.000 1.369 302 N CA -0.144 52.900 53.050 -0.010 0.000 0.806 302 N CB 0.347 38.837 38.487 0.006 0.000 1.190 302 N HN 0.389 nan 8.380 nan 0.000 0.506 303 D N 0.508 120.888 120.400 -0.034 0.000 2.248 303 D HA 0.205 4.845 4.640 -0.000 0.000 0.246 303 D C 0.855 177.122 176.300 -0.056 0.000 1.027 303 D CA -0.600 53.370 54.000 -0.049 0.000 0.853 303 D CB 3.017 43.799 40.800 -0.031 0.000 1.243 303 D HN -0.108 nan 8.370 nan 0.000 0.462 304 R N 1.626 122.084 120.500 -0.069 0.000 2.168 304 R HA -0.254 4.086 4.340 -0.000 0.000 0.242 304 R C 0.919 177.179 176.300 -0.066 0.000 1.123 304 R CA 2.506 58.562 56.100 -0.073 0.000 0.928 304 R CB -0.330 29.928 30.300 -0.070 0.000 0.873 304 R HN 0.524 nan 8.270 nan 0.000 0.434 305 D N -0.101 120.268 120.400 -0.051 0.000 2.154 305 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 305 D C 2.007 178.283 176.300 -0.041 0.000 1.003 305 D CA 1.883 55.857 54.000 -0.043 0.000 0.849 305 D CB -0.540 40.242 40.800 -0.031 0.000 0.942 305 D HN 0.264 nan 8.370 nan 0.000 0.446 306 S N 0.401 116.081 115.700 -0.032 0.000 2.351 306 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 306 S C 2.122 176.700 174.600 -0.037 0.000 1.035 306 S CA 0.660 58.848 58.200 -0.020 0.000 1.031 306 S CB -0.160 63.040 63.200 0.000 0.000 0.928 306 S HN 0.191 nan 8.310 nan 0.000 0.433 307 I N 1.799 122.333 120.570 -0.060 0.000 2.118 307 I HA -0.187 3.983 4.170 -0.000 0.000 0.241 307 I C 2.323 178.354 176.117 -0.143 0.000 1.070 307 I CA 1.270 62.504 61.300 -0.110 0.000 1.327 307 I CB -1.712 36.195 38.000 -0.155 0.000 1.034 307 I HN 0.273 nan 8.210 nan 0.000 0.405 308 L N 0.524 121.669 121.223 -0.128 0.000 1.951 308 L HA -0.332 4.008 4.340 -0.000 0.000 0.222 308 L C 2.735 179.554 176.870 -0.085 0.000 1.078 308 L CA 2.587 57.358 54.840 -0.116 0.000 0.778 308 L CB -0.704 41.304 42.059 -0.085 0.000 0.893 308 L HN 0.293 nan 8.230 nan 0.000 0.436 309 T N 0.432 114.950 114.554 -0.060 0.000 2.649 309 T HA -0.304 4.046 4.350 -0.000 0.000 0.268 309 T C 1.813 176.490 174.700 -0.039 0.000 1.036 309 T CA 2.049 64.122 62.100 -0.044 0.000 1.157 309 T CB -0.520 68.325 68.868 -0.039 0.000 0.861 309 T HN 0.217 nan 8.240 nan 0.000 0.445 310 L N 0.085 121.284 121.223 -0.039 0.000 1.989 310 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 310 L C 2.578 179.440 176.870 -0.013 0.000 1.071 310 L CA 1.356 56.185 54.840 -0.019 0.000 0.749 310 L CB -0.673 41.386 42.059 0.000 0.000 0.890 310 L HN 0.245 nan 8.230 nan 0.000 0.431 311 L N -1.096 120.094 121.223 -0.054 0.000 1.989 311 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 311 L C 2.535 179.398 176.870 -0.012 0.000 1.071 311 L CA 1.071 55.882 54.840 -0.049 0.000 0.749 311 L CB -0.586 41.398 42.059 -0.125 0.000 0.890 311 L HN 0.198 nan 8.230 nan 0.000 0.431 312 L N -0.691 120.519 121.223 -0.021 0.000 2.042 312 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 312 L C 2.379 179.266 176.870 0.029 0.000 1.076 312 L CA 1.732 56.569 54.840 -0.005 0.000 0.749 312 L CB -0.799 41.249 42.059 -0.018 0.000 0.893 312 L HN 0.181 nan 8.230 nan 0.000 0.432 313 L N -1.667 119.581 121.223 0.042 0.000 2.056 313 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 313 L C 2.702 179.673 176.870 0.169 0.000 1.078 313 L CA 1.365 56.275 54.840 0.116 0.000 0.749 313 L CB -0.336 41.760 42.059 0.062 0.000 0.901 313 L HN 0.336 nan 8.230 nan 0.000 0.433 314 S N -1.016 114.741 115.700 0.095 0.000 2.383 314 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 314 S C 1.895 176.516 174.600 0.035 0.000 1.030 314 S CA 2.090 60.334 58.200 0.073 0.000 1.002 314 S CB -0.133 63.105 63.200 0.063 0.000 0.829 314 S HN 0.458 nan 8.310 nan 0.000 0.467 315 T N 2.407 116.983 114.554 0.038 0.000 2.732 315 T HA 0.002 4.352 4.350 -0.000 0.000 0.261 315 T C 1.684 176.400 174.700 0.025 0.000 1.040 315 T CA 1.299 63.413 62.100 0.022 0.000 1.145 315 T CB -0.555 68.325 68.868 0.019 0.000 0.866 315 T HN 0.332 nan 8.240 nan 0.000 0.427 316 L N 1.348 122.608 121.223 0.061 0.000 2.261 316 L HA 0.025 4.365 4.340 -0.000 0.000 0.216 316 L C 2.411 179.359 176.870 0.131 0.000 1.114 316 L CA 1.417 56.325 54.840 0.114 0.000 0.777 316 L CB -0.819 41.330 42.059 0.150 0.000 0.910 316 L HN 0.226 nan 8.230 nan 0.000 0.440 317 A N -0.766 122.021 122.820 -0.057 0.000 1.855 317 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 317 A C 2.007 179.385 177.584 -0.343 0.000 1.191 317 A CA 1.709 53.390 52.037 -0.593 0.000 0.613 317 A CB -0.751 17.959 19.000 -0.483 0.000 0.829 317 A HN 0.511 nan 8.150 nan 0.000 0.442 318 D N 0.004 120.311 120.400 -0.155 0.000 2.123 318 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 318 D C 2.108 178.387 176.300 -0.036 0.000 0.992 318 D CA 1.584 55.529 54.000 -0.092 0.000 0.833 318 D CB -0.499 40.273 40.800 -0.045 0.000 0.954 318 D HN 0.225 nan 8.370 nan 0.000 0.455 319 V N 0.874 120.806 119.914 0.029 0.000 2.332 319 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 319 V C 2.273 178.459 176.094 0.152 0.000 1.055 319 V CA 1.516 63.874 62.300 0.096 0.000 1.038 319 V CB -0.795 31.108 31.823 0.132 0.000 0.651 319 V HN 0.167 nan 8.190 nan 0.000 0.450 320 Y N 1.628 121.983 120.300 0.091 0.000 2.128 320 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 320 Y C 2.617 178.392 175.900 -0.209 0.000 1.154 320 Y CA 2.397 60.435 58.100 -0.102 0.000 1.149 320 Y CB -0.642 37.667 38.460 -0.253 0.000 0.976 320 Y HN 0.288 nan 8.280 nan 0.000 0.505 321 T N 0.538 115.046 114.554 -0.076 0.000 2.555 321 T HA -0.277 4.073 4.350 -0.000 0.000 0.264 321 T C 2.059 176.660 174.700 -0.164 0.000 1.083 321 T CA 2.822 64.848 62.100 -0.123 0.000 1.179 321 T CB -1.304 67.504 68.868 -0.100 0.000 0.863 321 T HN 0.418 nan 8.240 nan 0.000 0.412 322 V N 0.779 120.627 119.914 -0.109 0.000 2.380 322 V HA -0.137 3.983 4.120 -0.000 0.000 0.251 322 V C 2.315 178.336 176.094 -0.122 0.000 1.063 322 V CA 1.727 63.970 62.300 -0.095 0.000 1.055 322 V CB -1.230 30.559 31.823 -0.057 0.000 0.657 322 V HN 0.463 nan 8.190 nan 0.000 0.455 323 L N -0.661 120.471 121.223 -0.152 0.000 2.270 323 L HA 0.182 4.522 4.340 -0.000 0.000 0.210 323 L C 1.344 178.054 176.870 -0.266 0.000 1.104 323 L CA 0.511 55.248 54.840 -0.172 0.000 0.804 323 L CB -0.290 41.705 42.059 -0.106 0.000 0.937 323 L HN 0.384 nan 8.230 nan 0.000 0.450 324 R N -1.977 118.280 120.500 -0.404 0.000 3.336 324 R HA -0.137 4.203 4.340 -0.000 0.000 0.260 324 R C -2.270 173.775 176.300 -0.424 0.000 1.032 324 R CA -0.029 55.813 56.100 -0.430 0.000 0.693 324 R CB -2.539 27.619 30.300 -0.236 0.000 1.134 324 R HN 0.258 nan 8.270 nan 0.000 0.433 325 P HA 0.032 nan 4.420 nan 0.000 0.263 325 P C -0.295 176.955 177.300 -0.084 0.000 1.195 325 P CA 0.526 63.421 63.100 -0.341 0.000 0.762 325 P CB 0.548 31.922 31.700 -0.544 0.000 0.799 326 E N 3.648 123.882 120.200 0.057 0.000 2.149 326 E HA 0.424 4.774 4.350 -0.000 0.000 0.255 326 E C -0.715 176.045 176.600 0.267 0.000 0.888 326 E CA -0.472 55.978 56.400 0.082 0.000 0.742 326 E CB 0.407 30.114 29.700 0.013 0.000 1.164 326 E HN 0.387 nan 8.360 nan 0.000 0.422 327 F N 0.236 120.215 119.950 0.049 0.000 2.686 327 F HA 0.764 5.291 4.527 -0.000 0.000 0.311 327 F C -0.958 174.900 175.800 0.097 0.000 1.128 327 F CA -1.479 56.590 58.000 0.116 0.000 0.946 327 F CB 0.480 39.635 39.000 0.259 0.000 1.336 327 F HN 0.237 nan 8.300 nan 0.000 0.457 328 A N 2.462 125.347 122.820 0.109 0.000 2.287 328 A HA 0.799 5.119 4.320 -0.000 0.000 0.273 328 A C -0.726 176.833 177.584 -0.042 0.000 1.091 328 A CA -0.600 51.423 52.037 -0.023 0.000 0.817 328 A CB 0.884 19.901 19.000 0.029 0.000 1.069 328 A HN 0.981 nan 8.150 nan 0.000 0.492 329 M N 0.843 120.383 119.600 -0.099 0.000 2.322 329 M HA 0.266 4.746 4.480 -0.000 0.000 0.286 329 M C -1.358 174.909 176.300 -0.056 0.000 1.111 329 M CA -0.567 54.674 55.300 -0.098 0.000 0.941 329 M CB 1.553 34.096 32.600 -0.094 0.000 1.671 329 M HN 0.874 nan 8.290 nan 0.000 0.470 330 H N 2.409 121.503 119.070 0.040 0.000 3.107 330 H HA 0.173 4.729 4.556 -0.000 0.000 0.301 330 H C 1.200 176.533 175.328 0.008 0.000 0.981 330 H CA 1.928 57.990 56.048 0.024 0.000 1.443 330 H CB 0.296 30.073 29.762 0.026 0.000 1.479 330 H HN 0.976 nan 8.280 nan 0.000 0.564 331 G N 2.565 111.447 108.800 0.137 0.000 2.225 331 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 331 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 331 G C 0.132 175.056 174.900 0.040 0.000 0.988 331 G CA 0.209 45.349 45.100 0.068 0.000 0.625 331 G HN 0.574 nan 8.290 nan 0.000 0.527 332 V N 1.525 121.457 119.914 0.030 0.000 2.439 332 V HA 0.544 4.664 4.120 -0.000 0.000 0.282 332 V C 0.153 176.232 176.094 -0.024 0.000 1.039 332 V CA -0.710 61.594 62.300 0.007 0.000 0.913 332 V CB 1.746 33.565 31.823 -0.006 0.000 0.983 332 V HN 0.345 nan 8.190 nan 0.000 0.460 333 N N 4.550 123.212 118.700 -0.063 0.000 2.623 333 N HA 0.392 5.132 4.740 -0.000 0.000 0.256 333 N C -2.738 172.639 175.510 -0.222 0.000 1.045 333 N CA -1.098 51.892 53.050 -0.100 0.000 0.863 333 N CB 2.233 40.677 38.487 -0.072 0.000 1.182 333 N HN 0.447 nan 8.380 nan 0.000 0.523 334 P HA 0.084 nan 4.420 nan 0.000 0.263 334 P C -0.294 176.880 177.300 -0.209 0.000 1.195 334 P CA 0.029 62.985 63.100 -0.240 0.000 0.762 334 P CB 0.548 32.199 31.700 -0.082 0.000 0.799 335 M N 6.715 126.160 119.600 -0.257 0.000 2.080 335 M HA 0.189 4.669 4.480 -0.000 0.000 0.350 335 M C -1.526 174.794 176.300 0.034 0.000 1.143 335 M CA -2.792 52.459 55.300 -0.081 0.000 1.064 335 M CB 1.401 33.976 32.600 -0.041 0.000 1.429 335 M HN 0.226 nan 8.290 nan 0.000 0.418 336 P HA -0.022 nan 4.420 nan 0.000 0.225 336 P C 0.638 177.966 177.300 0.047 0.000 1.148 336 P CA 0.426 63.547 63.100 0.035 0.000 0.779 336 P CB -0.022 31.686 31.700 0.015 0.000 0.780 337 G N 2.180 111.010 108.800 0.049 0.000 2.299 337 G HA2 0.097 4.057 3.960 -0.000 0.000 0.256 337 G HA3 0.097 4.057 3.960 -0.000 0.000 0.256 337 G C -1.371 173.569 174.900 0.066 0.000 1.259 337 G CA -0.591 44.538 45.100 0.049 0.000 0.943 337 G HN 0.069 nan 8.290 nan 0.000 0.479 338 P HA -0.253 nan 4.420 nan 0.000 0.231 338 P C 0.417 177.760 177.300 0.071 0.000 1.139 338 P CA 1.300 64.432 63.100 0.053 0.000 0.891 338 P CB -0.240 31.483 31.700 0.040 0.000 0.723 339 L N -2.923 118.355 121.223 0.092 0.000 1.096 339 L HA -0.135 4.205 4.340 -0.000 0.000 0.399 339 L C 0.453 177.375 176.870 0.088 0.000 1.003 339 L CA 1.366 56.277 54.840 0.118 0.000 1.217 339 L CB -2.134 40.016 42.059 0.150 0.000 0.817 339 L HN 0.195 nan 8.230 nan 0.000 0.447 340 T N -0.478 114.120 114.554 0.073 0.000 2.887 340 T HA 0.851 5.201 4.350 -0.000 0.000 0.292 340 T C 1.016 175.733 174.700 0.028 0.000 1.087 340 T CA -0.343 61.785 62.100 0.047 0.000 1.009 340 T CB 1.904 70.790 68.868 0.031 0.000 1.203 340 T HN 1.068 nan 8.240 nan 0.000 0.518 341 A N 0.600 123.432 122.820 0.020 0.000 1.986 341 A HA 0.129 4.449 4.320 -0.000 0.000 0.220 341 A C 2.451 180.014 177.584 -0.034 0.000 1.171 341 A CA 2.313 54.350 52.037 -0.000 0.000 0.640 341 A CB -1.532 17.471 19.000 0.005 0.000 0.811 341 A HN 1.300 nan 8.150 nan 0.000 0.451 342 A N 0.385 123.192 122.820 -0.023 0.000 1.835 342 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 342 A C 2.060 179.608 177.584 -0.059 0.000 1.199 342 A CA 1.537 53.555 52.037 -0.031 0.000 0.615 342 A CB -0.787 18.207 19.000 -0.011 0.000 0.838 342 A HN 0.514 nan 8.150 nan 0.000 0.444 343 I N 0.106 120.649 120.570 -0.044 0.000 2.248 343 I HA -0.338 3.832 4.170 -0.000 0.000 0.248 343 I C 2.878 178.842 176.117 -0.255 0.000 1.107 343 I CA 1.155 62.419 61.300 -0.061 0.000 1.373 343 I CB -0.523 37.499 38.000 0.037 0.000 1.055 343 I HN 0.382 nan 8.210 nan 0.000 0.418 344 A N 1.130 123.748 122.820 -0.336 0.000 1.858 344 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 344 A C 2.384 179.739 177.584 -0.383 0.000 1.190 344 A CA 2.009 53.631 52.037 -0.692 0.000 0.617 344 A CB -0.598 18.207 19.000 -0.324 0.000 0.827 344 A HN 0.320 nan 8.150 nan 0.000 0.443 345 R N 0.219 120.611 120.500 -0.180 0.000 2.096 345 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 345 R C 2.139 178.417 176.300 -0.037 0.000 1.139 345 R CA 2.209 58.255 56.100 -0.090 0.000 0.952 345 R CB -0.879 29.375 30.300 -0.076 0.000 0.854 345 R HN 0.418 nan 8.270 nan 0.000 0.436 346 A N 0.147 122.915 122.820 -0.087 0.000 1.940 346 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 346 A C 2.388 179.925 177.584 -0.078 0.000 1.176 346 A CA 1.893 53.894 52.037 -0.059 0.000 0.631 346 A CB -1.108 17.863 19.000 -0.048 0.000 0.814 346 A HN 0.540 nan 8.150 nan 0.000 0.446 347 A N -1.584 121.093 122.820 -0.239 0.000 2.019 347 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 347 A C 0.965 178.379 177.584 -0.283 0.000 1.164 347 A CA 0.733 52.547 52.037 -0.372 0.000 0.644 347 A CB -0.662 17.785 19.000 -0.923 0.000 0.805 347 A HN 0.528 nan 8.150 nan 0.000 0.449 348 Y N 0.790 120.998 120.300 -0.153 0.000 2.724 348 Y HA 0.357 4.907 4.550 -0.000 0.000 0.354 348 Y C 0.817 176.742 175.900 0.040 0.000 1.270 348 Y CA -0.079 58.041 58.100 0.033 0.000 1.902 348 Y CB -1.222 37.251 38.460 0.022 0.000 1.981 348 Y HN 0.092 nan 8.280 nan 0.000 0.428 349 V N 0.000 119.985 119.914 0.118 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.350 62.300 0.083 0.000 1.235 349 V CB 0.000 31.874 31.823 0.084 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556