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 1f3p_1_A DATA FIRST_RESID 5 DATA SEQUENCE ALKAPVVVLG AGLASVSFVA ELRQAGYQGL ITVVGDEAER PYDRPPLSKD DATA SEQUENCE FMAHGDAEKI RLDCKRAPEV EWLLGVTAQS FDPQAHTVAL SDGRTLPYGT DATA SEQUENCE LVLATGAAPR ALPTLQGATM PVHTLRTLED ARRIQAGLRP QSRLLIVGGG DATA SEQUENCE VIGLELAATA RTAGVHVSLV ETQPRLMSRA APATLADFVA RYHAAQGVDL DATA SEQUENCE RFERSVTGSV DGVVLLDDGT RIAADMVVVG IGVLANDALA RAAGLACDDG DATA SEQUENCE IFVDAYGRTT CPDVYALGDV TRQRNPLSGR FERIETWSNA QNQGIAVARH DATA SEQUENCE LVDPTAPGYA ELPWYWSDQG ALRIQVAGLA SGDEEIVRGE VSLDAPKFTL DATA SEQUENCE IELQKGRIVG ATCVNNARDF APLRRLLAVG AKPDRAALAD PATDLRKLAA DATA SEQUENCE A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.584 177.584 0.000 0.000 1.274 5 A CA 0.000 52.042 52.037 0.009 0.000 0.836 5 A CB 0.000 18.982 19.000 -0.031 0.000 0.831 6 L N 1.580 122.768 121.223 -0.059 0.000 2.302 6 L HA 0.373 4.713 4.340 -0.000 0.000 0.285 6 L C -0.578 176.258 176.870 -0.055 0.000 1.090 6 L CA -0.097 54.677 54.840 -0.109 0.000 0.866 6 L CB 0.184 42.124 42.059 -0.198 0.000 1.244 6 L HN 0.569 nan 8.230 nan 0.000 0.435 7 K N 3.577 123.966 120.400 -0.019 0.000 2.183 7 K HA 0.585 4.905 4.320 -0.000 0.000 0.274 7 K C -0.246 176.370 176.600 0.027 0.000 1.009 7 K CA -0.429 55.866 56.287 0.014 0.000 0.888 7 K CB 1.844 34.358 32.500 0.023 0.000 1.078 7 K HN 0.595 nan 8.250 nan 0.000 0.459 8 A N 3.996 126.859 122.820 0.071 0.000 2.282 8 A HA 0.588 4.908 4.320 -0.000 0.000 0.319 8 A C -2.270 175.362 177.584 0.080 0.000 1.121 8 A CA -1.488 50.625 52.037 0.127 0.000 0.836 8 A CB 0.140 19.275 19.000 0.225 0.000 1.146 8 A HN 0.521 nan 8.150 nan 0.000 0.494 9 P HA 0.387 nan 4.420 nan 0.000 0.276 9 P C -0.838 176.537 177.300 0.125 0.000 1.244 9 P CA -0.240 62.934 63.100 0.123 0.000 0.801 9 P CB 0.977 32.731 31.700 0.089 0.000 1.006 10 V N 2.193 122.173 119.914 0.110 0.000 2.439 10 V HA 0.266 4.386 4.120 -0.000 0.000 0.282 10 V C 0.271 176.381 176.094 0.026 0.000 1.039 10 V CA -0.457 61.870 62.300 0.044 0.000 0.913 10 V CB 1.671 33.486 31.823 -0.014 0.000 0.983 10 V HN 0.275 nan 8.190 nan 0.000 0.460 11 V N 5.665 125.565 119.914 -0.023 0.000 2.483 11 V HA 0.469 4.589 4.120 -0.000 0.000 0.297 11 V C -0.384 175.620 176.094 -0.149 0.000 1.027 11 V CA -0.554 61.702 62.300 -0.073 0.000 0.855 11 V CB 2.064 33.855 31.823 -0.054 0.000 0.995 11 V HN 0.610 nan 8.190 nan 0.000 0.424 12 V N 6.101 125.940 119.914 -0.124 0.000 2.459 12 V HA 0.506 4.626 4.120 -0.000 0.000 0.295 12 V C -0.190 175.827 176.094 -0.130 0.000 1.029 12 V CA -0.632 61.579 62.300 -0.148 0.000 0.874 12 V CB 1.820 33.596 31.823 -0.080 0.000 0.985 12 V HN 0.629 nan 8.190 nan 0.000 0.438 13 L N 4.681 125.812 121.223 -0.153 0.000 2.265 13 L HA 0.837 5.177 4.340 -0.000 0.000 0.289 13 L C 0.637 177.465 176.870 -0.070 0.000 1.033 13 L CA -0.075 54.705 54.840 -0.100 0.000 0.814 13 L CB 1.093 43.081 42.059 -0.118 0.000 1.203 13 L HN 0.998 nan 8.230 nan 0.000 0.423 14 G N 2.704 111.491 108.800 -0.022 0.000 2.770 14 G HA2 0.163 4.123 3.960 -0.000 0.000 0.686 14 G HA3 0.163 4.123 3.960 -0.000 0.000 0.686 14 G C -0.535 174.390 174.900 0.043 0.000 1.180 14 G CA -0.310 44.786 45.100 -0.007 0.000 0.767 14 G HN 0.864 nan 8.290 nan 0.000 0.646 15 A N 1.045 123.905 122.820 0.067 0.000 2.812 15 A HA 0.819 5.138 4.320 -0.000 0.000 0.294 15 A C 1.121 178.727 177.584 0.036 0.000 1.014 15 A CA 1.094 53.223 52.037 0.154 0.000 1.024 15 A CB -0.088 19.062 19.000 0.250 0.000 1.162 15 A HN 2.163 nan 8.150 nan 0.000 0.511 16 G N -0.991 107.792 108.800 -0.028 0.000 2.543 16 G HA2 0.415 4.374 3.960 -0.000 0.000 0.267 16 G HA3 0.415 4.374 3.960 -0.000 0.000 0.267 16 G C 0.905 175.755 174.900 -0.084 0.000 1.406 16 G CA -0.007 45.024 45.100 -0.115 0.000 1.048 16 G HN 0.565 nan 8.290 nan 0.000 0.548 17 L N 0.144 121.290 121.223 -0.128 0.000 2.079 17 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 17 L C 2.908 179.697 176.870 -0.134 0.000 1.081 17 L CA 2.888 57.642 54.840 -0.143 0.000 0.752 17 L CB -0.580 41.341 42.059 -0.229 0.000 0.896 17 L HN 0.496 nan 8.230 nan 0.000 0.433 18 A N -1.611 121.132 122.820 -0.129 0.000 1.898 18 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 18 A C 2.504 180.079 177.584 -0.016 0.000 1.181 18 A CA 1.805 53.776 52.037 -0.110 0.000 0.620 18 A CB -1.097 17.821 19.000 -0.137 0.000 0.819 18 A HN 0.531 nan 8.150 nan 0.000 0.442 19 S N -0.683 115.024 115.700 0.012 0.000 2.355 19 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 19 S C 1.933 176.665 174.600 0.221 0.000 1.031 19 S CA 1.591 59.856 58.200 0.109 0.000 0.993 19 S CB -0.465 62.800 63.200 0.109 0.000 0.859 19 S HN 0.280 nan 8.310 nan 0.000 0.453 20 V N 1.439 121.475 119.914 0.202 0.000 2.343 20 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 20 V C 2.631 178.815 176.094 0.150 0.000 1.051 20 V CA 2.163 64.614 62.300 0.251 0.000 1.036 20 V CB -0.944 30.951 31.823 0.120 0.000 0.654 20 V HN 0.474 nan 8.190 nan 0.000 0.451 21 S N -0.311 115.429 115.700 0.066 0.000 2.368 21 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 21 S C 1.757 176.387 174.600 0.051 0.000 1.029 21 S CA 1.740 59.953 58.200 0.023 0.000 0.988 21 S CB -0.431 62.735 63.200 -0.055 0.000 0.838 21 S HN 0.632 nan 8.310 nan 0.000 0.462 22 F N 3.144 123.063 119.950 -0.052 0.000 2.075 22 F HA -0.149 4.377 4.527 -0.001 0.000 0.297 22 F C 2.251 178.022 175.800 -0.048 0.000 1.113 22 F CA 1.546 59.506 58.000 -0.067 0.000 1.218 22 F CB -0.640 38.304 39.000 -0.094 0.000 0.984 22 F HN 0.086 nan 8.300 nan 0.000 0.472 23 V N -0.402 119.434 119.914 -0.130 0.000 2.515 23 V HA -0.035 4.085 4.120 -0.000 0.000 0.250 23 V C 2.370 178.376 176.094 -0.148 0.000 1.058 23 V CA 1.452 63.610 62.300 -0.238 0.000 1.064 23 V CB -1.893 29.898 31.823 -0.055 0.000 0.675 23 V HN 0.407 nan 8.190 nan 0.000 0.461 24 A N 0.724 123.521 122.820 -0.038 0.000 1.898 24 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 24 A C 2.207 179.752 177.584 -0.065 0.000 1.181 24 A CA 1.953 53.986 52.037 -0.006 0.000 0.620 24 A CB -0.641 18.381 19.000 0.037 0.000 0.819 24 A HN 0.652 nan 8.150 nan 0.000 0.442 25 E N 0.189 120.319 120.200 -0.116 0.000 2.106 25 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 25 E C 1.811 178.306 176.600 -0.175 0.000 0.984 25 E CA 0.982 57.308 56.400 -0.123 0.000 0.806 25 E CB -0.436 29.195 29.700 -0.115 0.000 0.750 25 E HN 0.566 nan 8.360 nan 0.000 0.458 26 L N 0.071 121.102 121.223 -0.320 0.000 2.013 26 L HA -0.241 4.098 4.340 -0.000 0.000 0.212 26 L C 2.673 179.504 176.870 -0.065 0.000 1.073 26 L CA 1.428 56.093 54.840 -0.292 0.000 0.753 26 L CB -0.358 41.432 42.059 -0.448 0.000 0.890 26 L HN 0.154 nan 8.230 nan 0.000 0.432 27 R N -0.540 119.931 120.500 -0.049 0.000 2.062 27 R HA -0.157 4.183 4.340 -0.000 0.000 0.231 27 R C 2.187 178.476 176.300 -0.018 0.000 1.136 27 R CA 1.164 57.257 56.100 -0.011 0.000 0.948 27 R CB -0.711 29.580 30.300 -0.016 0.000 0.845 27 R HN 0.304 nan 8.270 nan 0.000 0.430 28 Q N 0.447 120.230 119.800 -0.027 0.000 2.135 28 Q HA 0.001 4.341 4.340 -0.000 0.000 0.204 28 Q C 1.772 177.761 176.000 -0.018 0.000 0.981 28 Q CA 1.875 57.667 55.803 -0.018 0.000 0.856 28 Q CB -0.450 28.279 28.738 -0.015 0.000 0.902 28 Q HN 0.372 nan 8.270 nan 0.000 0.425 29 A N -1.272 121.531 122.820 -0.029 0.000 2.248 29 A HA 0.287 4.607 4.320 -0.000 0.000 0.210 29 A C 1.399 178.978 177.584 -0.008 0.000 1.174 29 A CA 1.141 53.163 52.037 -0.025 0.000 0.750 29 A CB -0.524 18.447 19.000 -0.050 0.000 0.780 29 A HN 0.485 nan 8.150 nan 0.000 0.478 30 G N -2.810 105.991 108.800 0.001 0.000 2.159 30 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.227 30 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.227 30 G C -0.002 174.918 174.900 0.033 0.000 0.986 30 G CA 0.125 45.228 45.100 0.004 0.000 0.651 30 G HN 0.892 nan 8.290 nan 0.000 0.523 31 Y N 1.499 121.747 120.300 -0.087 0.000 2.335 31 Y HA 0.597 5.146 4.550 -0.001 0.000 0.331 31 Y C 0.935 176.788 175.900 -0.078 0.000 1.094 31 Y CA -0.219 57.827 58.100 -0.089 0.000 1.253 31 Y CB 1.189 39.577 38.460 -0.120 0.000 1.203 31 Y HN 0.064 nan 8.280 nan 0.000 0.508 32 Q N 4.356 123.759 119.800 -0.662 0.000 2.164 32 Q HA 0.264 4.604 4.340 -0.000 0.000 0.226 32 Q C 0.593 176.167 176.000 -0.710 0.000 0.813 32 Q CA 0.339 55.814 55.803 -0.546 0.000 0.978 32 Q CB 1.095 29.672 28.738 -0.268 0.000 1.149 32 Q HN 0.965 nan 8.270 nan 0.000 0.489 33 G N 0.659 108.648 108.800 -1.352 0.000 2.553 33 G HA2 0.303 4.263 3.960 -0.000 0.000 0.278 33 G HA3 0.303 4.263 3.960 -0.000 0.000 0.278 33 G C -0.371 174.265 174.900 -0.441 0.000 1.349 33 G CA -0.509 44.144 45.100 -0.745 0.000 1.037 33 G HN 0.143 nan 8.290 nan 0.000 0.508 34 L N -0.286 120.882 121.223 -0.093 0.000 2.453 34 L HA 0.376 4.716 4.340 -0.000 0.000 0.272 34 L C 0.106 177.036 176.870 0.100 0.000 1.182 34 L CA 0.563 55.400 54.840 -0.006 0.000 0.858 34 L CB 0.515 42.582 42.059 0.014 0.000 1.120 34 L HN 0.234 nan 8.230 nan 0.000 0.474 35 I N 3.142 123.724 120.570 0.020 0.000 2.534 35 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 35 I C -0.641 175.400 176.117 -0.127 0.000 1.077 35 I CA -0.391 60.904 61.300 -0.008 0.000 1.051 35 I CB 2.085 40.072 38.000 -0.021 0.000 1.234 35 I HN 0.455 nan 8.210 nan 0.000 0.425 36 T N 5.170 119.646 114.554 -0.131 0.000 2.861 36 T HA 0.570 4.920 4.350 -0.000 0.000 0.287 36 T C -0.595 173.971 174.700 -0.223 0.000 1.003 36 T CA -0.500 61.492 62.100 -0.180 0.000 0.977 36 T CB 2.428 71.247 68.868 -0.081 0.000 0.996 36 T HN 0.163 nan 8.240 nan 0.000 0.448 37 V N 3.268 122.991 119.914 -0.319 0.000 2.540 37 V HA 0.500 4.620 4.120 -0.000 0.000 0.302 37 V C -0.378 175.691 176.094 -0.041 0.000 1.035 37 V CA -0.815 61.342 62.300 -0.238 0.000 0.873 37 V CB 1.935 33.456 31.823 -0.504 0.000 0.992 37 V HN 0.738 nan 8.190 nan 0.000 0.428 38 V N 3.690 123.603 119.914 -0.002 0.000 2.311 38 V HA 0.703 4.823 4.120 -0.000 0.000 0.275 38 V C 0.702 176.836 176.094 0.066 0.000 1.022 38 V CA -0.303 62.020 62.300 0.039 0.000 0.830 38 V CB 1.275 33.105 31.823 0.013 0.000 1.012 38 V HN 0.959 nan 8.190 nan 0.000 0.452 39 G N 2.775 111.639 108.800 0.106 0.000 2.422 39 G HA2 0.455 4.415 3.960 -0.000 0.000 0.317 39 G HA3 0.455 4.415 3.960 -0.000 0.000 0.317 39 G C 0.521 175.465 174.900 0.074 0.000 1.210 39 G CA -0.316 44.842 45.100 0.097 0.000 0.930 39 G HN 0.716 nan 8.290 nan 0.000 0.468 40 D N 1.784 122.214 120.400 0.051 0.000 2.178 40 D HA -0.116 4.524 4.640 -0.000 0.000 0.202 40 D C 0.549 176.879 176.300 0.049 0.000 0.974 40 D CA 0.685 54.711 54.000 0.044 0.000 0.841 40 D CB 0.047 40.865 40.800 0.030 0.000 0.953 40 D HN 0.485 nan 8.370 nan 0.000 0.478 41 E N 0.164 120.398 120.200 0.057 0.000 2.324 41 E HA 0.344 4.694 4.350 -0.000 0.000 0.271 41 E C -0.347 176.299 176.600 0.076 0.000 1.028 41 E CA -0.274 56.169 56.400 0.071 0.000 0.890 41 E CB 0.999 30.762 29.700 0.104 0.000 1.004 41 E HN 0.263 nan 8.360 nan 0.000 0.431 42 A N 5.325 128.182 122.820 0.060 0.000 3.077 42 A HA 0.052 4.372 4.320 -0.000 0.000 0.255 42 A C -0.200 177.416 177.584 0.052 0.000 1.728 42 A CA 0.126 52.195 52.037 0.053 0.000 1.383 42 A CB -0.026 18.997 19.000 0.038 0.000 1.097 42 A HN 0.443 nan 8.150 nan 0.000 0.634 43 E N 0.185 120.432 120.200 0.078 0.000 2.308 43 E HA 0.229 4.579 4.350 -0.000 0.000 0.275 43 E C -0.727 175.924 176.600 0.086 0.000 0.890 43 E CA -0.882 55.567 56.400 0.081 0.000 0.754 43 E CB 1.853 31.628 29.700 0.126 0.000 1.207 43 E HN 0.564 nan 8.360 nan 0.000 0.426 44 R N 2.704 123.229 120.500 0.041 0.000 2.502 44 R HA 0.081 4.421 4.340 -0.000 0.000 0.292 44 R C -2.221 174.110 176.300 0.052 0.000 0.998 44 R CA -0.726 55.367 56.100 -0.012 0.000 1.056 44 R CB 0.014 30.299 30.300 -0.026 0.000 0.939 44 R HN 0.082 nan 8.270 nan 0.000 0.411 45 P HA -0.110 nan 4.420 nan 0.000 0.259 45 P C -1.535 175.806 177.300 0.068 0.000 1.163 45 P CA 0.907 63.967 63.100 -0.067 0.000 0.760 45 P CB 0.009 31.543 31.700 -0.277 0.000 0.762 46 Y N 0.176 120.451 120.300 -0.042 0.000 2.638 46 Y HA 0.739 5.289 4.550 -0.000 0.000 0.339 46 Y C -0.670 175.251 175.900 0.035 0.000 1.084 46 Y CA -1.573 56.526 58.100 -0.002 0.000 1.068 46 Y CB 1.101 39.556 38.460 -0.010 0.000 1.294 46 Y HN 0.065 nan 8.280 nan 0.000 0.480 47 D N 0.336 120.866 120.400 0.217 0.000 2.175 47 D HA 0.377 5.017 4.640 -0.000 0.000 0.248 47 D C 0.405 176.850 176.300 0.242 0.000 1.047 47 D CA -0.570 53.544 54.000 0.189 0.000 0.883 47 D CB 1.617 42.599 40.800 0.303 0.000 1.180 47 D HN 0.702 nan 8.370 nan 0.000 0.438 48 R N 2.691 123.286 120.500 0.159 0.000 2.140 48 R HA 0.042 4.381 4.340 -0.000 0.000 0.213 48 R C -1.043 175.334 176.300 0.128 0.000 1.059 48 R CA 0.373 56.558 56.100 0.142 0.000 1.000 48 R CB -0.798 29.537 30.300 0.058 0.000 0.910 48 R HN 0.368 nan 8.270 nan 0.000 0.455 49 P HA -0.146 nan 4.420 nan 0.000 0.217 49 P C -1.544 175.837 177.300 0.136 0.000 1.158 49 P CA 1.737 64.922 63.100 0.141 0.000 0.887 49 P CB -0.940 30.908 31.700 0.246 0.000 0.792 50 P HA -0.065 nan 4.420 nan 0.000 0.223 50 P C 1.393 178.772 177.300 0.133 0.000 1.151 50 P CA 0.931 64.132 63.100 0.168 0.000 0.787 50 P CB -0.576 31.259 31.700 0.226 0.000 0.788 51 L N -0.376 120.867 121.223 0.033 0.000 2.129 51 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 51 L C 2.028 178.916 176.870 0.030 0.000 1.087 51 L CA 2.115 56.903 54.840 -0.088 0.000 0.757 51 L CB -1.113 40.867 42.059 -0.133 0.000 0.896 51 L HN 0.161 nan 8.230 nan 0.000 0.434 52 S N -2.638 113.090 115.700 0.047 0.000 2.540 52 S HA 0.110 4.579 4.470 -0.000 0.000 0.218 52 S C 0.988 175.628 174.600 0.067 0.000 0.977 52 S CA -0.344 57.886 58.200 0.050 0.000 0.918 52 S CB 0.546 63.761 63.200 0.025 0.000 0.806 52 S HN 0.321 nan 8.310 nan 0.000 0.496 53 K N 1.075 121.528 120.400 0.088 0.000 3.705 53 K HA 0.274 4.593 4.320 -0.000 0.000 0.259 53 K C 0.479 177.116 176.600 0.062 0.000 0.995 53 K CA -0.130 56.208 56.287 0.086 0.000 1.722 53 K CB 0.111 32.677 32.500 0.111 0.000 3.149 53 K HN -0.146 nan 8.250 nan 0.000 0.897 54 D N 0.897 121.335 120.400 0.063 0.000 2.172 54 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 54 D C 1.594 177.684 176.300 -0.351 0.000 0.999 54 D CA 1.301 55.294 54.000 -0.013 0.000 0.856 54 D CB -0.185 40.706 40.800 0.152 0.000 0.934 54 D HN 0.289 nan 8.370 nan 0.000 0.453 55 F N 0.721 120.439 119.950 -0.387 0.000 2.161 55 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 55 F C 2.202 177.777 175.800 -0.376 0.000 1.089 55 F CA 1.028 58.710 58.000 -0.530 0.000 1.282 55 F CB -0.082 38.826 39.000 -0.153 0.000 1.010 55 F HN -0.162 nan 8.300 nan 0.000 0.485 56 M N 0.153 119.762 119.600 0.015 0.000 2.446 56 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 56 M C 1.869 178.087 176.300 -0.137 0.000 1.066 56 M CA 1.319 56.620 55.300 0.002 0.000 1.087 56 M CB -1.022 31.610 32.600 0.053 0.000 1.406 56 M HN 0.285 nan 8.290 nan 0.000 0.459 57 A N -1.007 121.673 122.820 -0.233 0.000 1.919 57 A HA -0.030 4.289 4.320 -0.000 0.000 0.211 57 A C 1.959 179.429 177.584 -0.191 0.000 1.310 57 A CA 1.031 52.968 52.037 -0.167 0.000 0.651 57 A CB -0.825 18.120 19.000 -0.092 0.000 0.996 57 A HN 0.671 nan 8.150 nan 0.000 0.479 58 H N -1.908 117.065 119.070 -0.161 0.000 2.544 58 H HA 0.243 4.799 4.556 -0.000 0.000 0.269 58 H C 1.281 176.398 175.328 -0.351 0.000 0.970 58 H CA 0.811 56.742 56.048 -0.195 0.000 1.219 58 H CB -0.434 29.248 29.762 -0.133 0.000 1.421 58 H HN 0.649 nan 8.280 nan 0.000 0.555 59 G N 1.936 110.295 108.800 -0.734 0.000 2.379 59 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.297 59 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.297 59 G C -0.520 174.021 174.900 -0.599 0.000 1.004 59 G CA 0.805 45.235 45.100 -1.116 0.000 0.921 59 G HN 0.658 nan 8.290 nan 0.000 0.511 60 D N -0.272 120.090 120.400 -0.062 0.000 2.412 60 D HA 0.640 5.280 4.640 -0.000 0.000 0.224 60 D C 1.211 177.643 176.300 0.220 0.000 1.093 60 D CA 0.136 54.174 54.000 0.062 0.000 0.850 60 D CB 0.796 41.571 40.800 -0.041 0.000 1.046 60 D HN 0.221 nan 8.370 nan 0.000 0.507 61 A N 4.130 127.102 122.820 0.254 0.000 2.066 61 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 61 A C 1.560 179.230 177.584 0.144 0.000 1.157 61 A CA 0.773 52.983 52.037 0.288 0.000 0.670 61 A CB -0.030 19.071 19.000 0.168 0.000 0.804 61 A HN 0.461 nan 8.150 nan 0.000 0.453 62 E N -0.049 120.202 120.200 0.085 0.000 2.482 62 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 62 E C 1.177 177.803 176.600 0.044 0.000 1.047 62 E CA 0.663 57.091 56.400 0.047 0.000 0.869 62 E CB -0.077 29.632 29.700 0.015 0.000 0.836 62 E HN 0.600 nan 8.360 nan 0.000 0.520 63 K N 0.513 120.948 120.400 0.060 0.000 2.404 63 K HA 0.177 4.496 4.320 -0.000 0.000 0.194 63 K C 1.490 178.162 176.600 0.120 0.000 1.023 63 K CA 0.115 56.422 56.287 0.033 0.000 1.094 63 K CB 0.384 32.818 32.500 -0.111 0.000 0.841 63 K HN 0.156 nan 8.250 nan 0.000 0.523 64 I N -2.714 117.958 120.570 0.170 0.000 3.994 64 I HA 0.296 4.466 4.170 -0.000 0.000 0.323 64 I C -0.436 175.797 176.117 0.193 0.000 1.501 64 I CA -0.748 60.673 61.300 0.201 0.000 1.112 64 I CB 0.361 38.518 38.000 0.262 0.000 1.254 64 I HN -0.209 nan 8.210 nan 0.000 0.495 65 R N 1.674 122.258 120.500 0.140 0.000 2.707 65 R HA 0.512 4.852 4.340 -0.000 0.000 0.270 65 R C -0.340 176.019 176.300 0.098 0.000 1.083 65 R CA -0.406 55.768 56.100 0.123 0.000 1.182 65 R CB 1.057 31.392 30.300 0.059 0.000 1.084 65 R HN 0.299 nan 8.270 nan 0.000 0.528 66 L N 0.752 122.009 121.223 0.057 0.000 2.357 66 L HA 0.145 4.485 4.340 -0.000 0.000 0.273 66 L C 0.463 177.333 176.870 -0.001 0.000 1.080 66 L CA -0.595 54.267 54.840 0.037 0.000 0.803 66 L CB 0.829 42.886 42.059 -0.004 0.000 1.174 66 L HN 0.438 nan 8.230 nan 0.000 0.443 67 D N 0.914 121.328 120.400 0.024 0.000 2.422 67 D HA 0.112 4.752 4.640 -0.000 0.000 0.227 67 D C 0.300 176.605 176.300 0.008 0.000 1.190 67 D CA -0.301 53.707 54.000 0.014 0.000 0.905 67 D CB 0.662 41.484 40.800 0.038 0.000 1.034 67 D HN 0.434 nan 8.370 nan 0.000 0.507 68 C N 3.955 123.238 119.300 -0.029 0.000 2.573 68 C HA 0.112 4.572 4.460 -0.000 0.000 0.273 68 C C 2.175 177.204 174.990 0.066 0.000 1.346 68 C CA -0.337 58.686 59.018 0.008 0.000 1.702 68 C CB -0.874 26.788 27.740 -0.130 0.000 1.751 68 C HN 0.626 nan 8.230 nan 0.000 0.583 69 K N 1.022 121.446 120.400 0.041 0.000 2.097 69 K HA -0.073 4.246 4.320 -0.000 0.000 0.206 69 K C 2.019 178.651 176.600 0.055 0.000 1.049 69 K CA 1.017 57.331 56.287 0.045 0.000 0.933 69 K CB -0.071 32.447 32.500 0.030 0.000 0.717 69 K HN 0.524 nan 8.250 nan 0.000 0.442 70 R N -0.032 120.501 120.500 0.055 0.000 2.339 70 R HA 0.019 4.358 4.340 -0.000 0.000 0.199 70 R C 0.308 176.642 176.300 0.058 0.000 1.018 70 R CA 0.396 56.525 56.100 0.048 0.000 1.036 70 R CB 0.238 30.563 30.300 0.041 0.000 0.899 70 R HN 0.002 nan 8.270 nan 0.000 0.473 71 A N 2.545 125.425 122.820 0.099 0.000 3.064 71 A HA 0.307 4.627 4.320 -0.000 0.000 0.339 71 A C -2.305 175.361 177.584 0.136 0.000 1.078 71 A CA -1.495 50.617 52.037 0.126 0.000 0.869 71 A CB 0.267 19.405 19.000 0.231 0.000 1.067 71 A HN -0.062 nan 8.150 nan 0.000 0.480 72 P HA 0.137 nan 4.420 nan 0.000 0.272 72 P C -0.346 176.978 177.300 0.038 0.000 1.230 72 P CA 0.428 63.565 63.100 0.062 0.000 0.788 72 P CB 0.484 32.200 31.700 0.028 0.000 0.949 73 E N -1.976 118.247 120.200 0.038 0.000 2.252 73 E HA -0.129 4.221 4.350 -0.000 0.000 0.218 73 E C -0.716 175.869 176.600 -0.025 0.000 1.253 73 E CA 0.615 57.017 56.400 0.004 0.000 0.705 73 E CB -2.078 27.603 29.700 -0.031 0.000 1.172 73 E HN 0.224 nan 8.360 nan 0.000 0.369 74 V N 0.723 120.632 119.914 -0.008 0.000 2.540 74 V HA 0.272 4.392 4.120 -0.000 0.000 0.302 74 V C 0.313 176.277 176.094 -0.218 0.000 1.035 74 V CA -0.696 61.492 62.300 -0.186 0.000 0.873 74 V CB 2.020 33.647 31.823 -0.326 0.000 0.992 74 V HN 0.265 nan 8.190 nan 0.000 0.428 75 E N 3.940 123.982 120.200 -0.263 0.000 2.115 75 E HA 0.326 4.676 4.350 -0.000 0.000 0.282 75 E C -1.602 174.853 176.600 -0.241 0.000 0.987 75 E CA -0.433 55.891 56.400 -0.126 0.000 0.797 75 E CB 0.727 30.394 29.700 -0.056 0.000 1.086 75 E HN 0.580 nan 8.360 nan 0.000 0.397 76 W N 5.648 126.963 121.300 0.025 0.000 2.314 76 W HA 0.345 5.005 4.660 0.000 0.000 0.310 76 W C -0.712 175.822 176.519 0.025 0.000 1.075 76 W CA -0.670 56.691 57.345 0.025 0.000 1.253 76 W CB 0.749 30.225 29.460 0.026 0.000 1.238 76 W HN 0.412 nan 8.180 nan 0.000 0.440 77 L N 5.960 127.297 121.223 0.189 0.000 2.352 77 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 77 L C -0.160 176.795 176.870 0.141 0.000 1.109 77 L CA -0.447 54.473 54.840 0.132 0.000 0.952 77 L CB -0.410 41.694 42.059 0.076 0.000 1.314 77 L HN 0.277 nan 8.230 nan 0.000 0.427 78 L N 2.050 123.362 121.223 0.149 0.000 2.350 78 L HA 0.569 4.908 4.340 -0.000 0.000 0.275 78 L C 1.313 178.232 176.870 0.082 0.000 1.099 78 L CA -0.186 54.726 54.840 0.119 0.000 0.808 78 L CB 0.862 42.985 42.059 0.106 0.000 1.149 78 L HN 0.743 nan 8.230 nan 0.000 0.442 79 G N 1.960 110.803 108.800 0.070 0.000 2.175 79 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 79 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 79 G C -0.044 174.885 174.900 0.048 0.000 0.982 79 G CA -0.032 45.100 45.100 0.053 0.000 0.641 79 G HN 0.422 nan 8.290 nan 0.000 0.527 80 V N 0.963 120.910 119.914 0.054 0.000 2.483 80 V HA 0.716 4.835 4.120 -0.000 0.000 0.295 80 V C 0.435 176.555 176.094 0.043 0.000 1.035 80 V CA -0.316 62.012 62.300 0.047 0.000 0.896 80 V CB 1.742 33.595 31.823 0.049 0.000 0.986 80 V HN 0.203 nan 8.190 nan 0.000 0.447 81 T N 3.866 118.442 114.554 0.037 0.000 2.767 81 T HA 0.567 4.917 4.350 -0.000 0.000 0.284 81 T C 0.280 175.002 174.700 0.037 0.000 0.973 81 T CA -0.134 61.986 62.100 0.033 0.000 0.996 81 T CB 1.293 70.178 68.868 0.028 0.000 0.927 81 T HN 0.980 nan 8.240 nan 0.000 0.456 82 A N 3.694 126.537 122.820 0.039 0.000 2.395 82 A HA 0.223 4.543 4.320 -0.000 0.000 0.286 82 A C 1.177 178.797 177.584 0.060 0.000 1.193 82 A CA -0.210 51.859 52.037 0.053 0.000 0.852 82 A CB 0.121 19.151 19.000 0.050 0.000 1.118 82 A HN 0.963 nan 8.150 nan 0.000 0.524 83 Q N 1.206 121.041 119.800 0.058 0.000 2.331 83 Q HA 0.082 4.422 4.340 -0.000 0.000 0.203 83 Q C 0.455 176.483 176.000 0.046 0.000 0.944 83 Q CA 1.027 56.857 55.803 0.045 0.000 0.892 83 Q CB 0.123 28.880 28.738 0.032 0.000 0.983 83 Q HN 1.033 nan 8.270 nan 0.000 0.482 84 S N -1.108 114.641 115.700 0.082 0.000 2.688 84 S HA 0.435 4.905 4.470 -0.000 0.000 0.269 84 S C -1.601 173.105 174.600 0.177 0.000 1.060 84 S CA -1.149 57.088 58.200 0.062 0.000 0.844 84 S CB 0.225 63.411 63.200 -0.024 0.000 1.095 84 S HN 0.252 nan 8.310 nan 0.000 0.466 85 F N 0.064 120.032 119.950 0.029 0.000 2.601 85 F HA 0.841 5.367 4.527 -0.001 0.000 0.309 85 F C -1.144 174.697 175.800 0.068 0.000 1.089 85 F CA -0.772 57.272 58.000 0.072 0.000 0.940 85 F CB 1.451 40.499 39.000 0.081 0.000 1.273 85 F HN 0.602 nan 8.300 nan 0.000 0.450 86 D N 3.980 124.531 120.400 0.252 0.000 2.392 86 D HA 0.431 5.071 4.640 -0.000 0.000 0.228 86 D C -2.060 174.350 176.300 0.183 0.000 1.074 86 D CA -2.650 51.409 54.000 0.099 0.000 0.838 86 D CB 2.127 42.955 40.800 0.046 0.000 1.067 86 D HN 0.258 nan 8.370 nan 0.000 0.511 87 P HA -0.023 nan 4.420 nan 0.000 0.229 87 P C 0.970 178.094 177.300 -0.293 0.000 1.160 87 P CA 0.864 64.008 63.100 0.073 0.000 0.777 87 P CB 0.619 32.415 31.700 0.161 0.000 0.814 88 Q N -0.594 119.112 119.800 -0.157 0.000 2.134 88 Q HA 0.143 4.482 4.340 -0.000 0.000 0.195 88 Q C 2.188 178.148 176.000 -0.067 0.000 0.958 88 Q CA 1.264 56.997 55.803 -0.117 0.000 0.840 88 Q CB -0.593 28.124 28.738 -0.035 0.000 0.918 88 Q HN 0.105 nan 8.270 nan 0.000 0.467 89 A N -0.475 122.316 122.820 -0.048 0.000 2.119 89 A HA -0.050 4.269 4.320 -0.000 0.000 0.216 89 A C -0.448 177.138 177.584 0.004 0.000 1.152 89 A CA 0.522 52.564 52.037 0.008 0.000 0.708 89 A CB -0.462 18.545 19.000 0.011 0.000 0.805 89 A HN 0.562 nan 8.150 nan 0.000 0.460 90 H N 0.151 119.094 119.070 -0.212 0.000 2.750 90 H HA -0.113 4.443 4.556 -0.000 0.000 0.327 90 H C 0.111 175.115 175.328 -0.541 0.000 1.199 90 H CA 0.872 56.488 56.048 -0.721 0.000 1.149 90 H CB -1.887 27.446 29.762 -0.714 0.000 1.543 90 H HN 0.696 nan 8.280 nan 0.000 0.427 91 T N -2.695 111.867 114.554 0.014 0.000 2.868 91 T HA 0.743 5.093 4.350 -0.000 0.000 0.306 91 T C -0.521 174.387 174.700 0.347 0.000 1.224 91 T CA -0.707 61.507 62.100 0.190 0.000 1.012 91 T CB 2.410 71.339 68.868 0.102 0.000 1.221 91 T HN 0.119 nan 8.240 nan 0.000 0.499 92 V N 1.008 121.088 119.914 0.276 0.000 2.604 92 V HA 0.815 4.935 4.120 -0.000 0.000 0.305 92 V C 0.278 176.462 176.094 0.149 0.000 1.043 92 V CA -1.078 61.364 62.300 0.238 0.000 0.888 92 V CB 1.591 33.515 31.823 0.169 0.000 0.995 92 V HN 1.347 nan 8.190 nan 0.000 0.429 93 A N 5.730 128.628 122.820 0.129 0.000 2.252 93 A HA 0.796 5.116 4.320 -0.000 0.000 0.309 93 A C -0.490 177.136 177.584 0.070 0.000 1.285 93 A CA -0.340 51.746 52.037 0.083 0.000 0.900 93 A CB 0.109 19.148 19.000 0.064 0.000 1.157 93 A HN 0.804 nan 8.150 nan 0.000 0.536 94 L N 2.236 123.494 121.223 0.058 0.000 2.375 94 L HA 0.320 4.660 4.340 -0.000 0.000 0.268 94 L C 1.658 178.552 176.870 0.039 0.000 1.058 94 L CA -0.310 54.559 54.840 0.048 0.000 0.803 94 L CB 1.698 43.785 42.059 0.046 0.000 1.212 94 L HN 0.883 nan 8.230 nan 0.000 0.451 95 S N -1.241 114.480 115.700 0.036 0.000 2.507 95 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 95 S C 0.793 175.410 174.600 0.027 0.000 0.988 95 S CA 0.737 58.955 58.200 0.029 0.000 0.944 95 S CB -0.460 62.757 63.200 0.027 0.000 0.762 95 S HN 0.815 nan 8.310 nan 0.000 0.526 96 D N -0.138 120.280 120.400 0.030 0.000 2.388 96 D HA 0.318 4.957 4.640 -0.000 0.000 0.221 96 D C 1.330 177.646 176.300 0.026 0.000 1.133 96 D CA 0.309 54.325 54.000 0.027 0.000 0.831 96 D CB -0.444 40.373 40.800 0.029 0.000 0.962 96 D HN 0.452 nan 8.370 nan 0.000 0.502 97 G N 0.253 109.069 108.800 0.027 0.000 2.225 97 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.254 97 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.254 97 G C 0.478 175.396 174.900 0.029 0.000 0.988 97 G CA -0.139 44.976 45.100 0.026 0.000 0.625 97 G HN 0.349 nan 8.290 nan 0.000 0.527 98 R N 0.362 120.881 120.500 0.032 0.000 2.583 98 R HA 0.675 5.015 4.340 -0.000 0.000 0.268 98 R C -0.233 176.093 176.300 0.043 0.000 1.101 98 R CA 0.111 56.232 56.100 0.034 0.000 1.180 98 R CB 0.372 30.693 30.300 0.034 0.000 1.128 98 R HN 0.170 nan 8.270 nan 0.000 0.568 99 T N 1.540 116.121 114.554 0.046 0.000 2.886 99 T HA 0.502 4.852 4.350 -0.000 0.000 0.292 99 T C -0.435 174.304 174.700 0.064 0.000 1.012 99 T CA -0.589 61.547 62.100 0.059 0.000 0.982 99 T CB 1.289 70.190 68.868 0.055 0.000 1.018 99 T HN 0.185 nan 8.240 nan 0.000 0.451 100 L N 5.500 126.776 121.223 0.087 0.000 2.322 100 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 100 L C -2.168 174.781 176.870 0.133 0.000 1.014 100 L CA -2.277 52.619 54.840 0.093 0.000 0.815 100 L CB 2.129 44.241 42.059 0.087 0.000 1.247 100 L HN 0.356 nan 8.230 nan 0.000 0.421 101 P HA 0.299 nan 4.420 nan 0.000 0.286 101 P C -1.764 175.632 177.300 0.160 0.000 1.261 101 P CA -0.283 62.867 63.100 0.084 0.000 0.821 101 P CB 1.218 32.938 31.700 0.034 0.000 1.013 102 Y N -1.358 118.985 120.300 0.072 0.000 2.534 102 Y HA 0.711 5.261 4.550 0.000 0.000 0.345 102 Y C 0.551 176.489 175.900 0.063 0.000 1.031 102 Y CA -0.927 57.208 58.100 0.059 0.000 1.022 102 Y CB 0.816 39.304 38.460 0.046 0.000 1.292 102 Y HN 0.403 nan 8.280 nan 0.000 0.459 103 G N 0.431 109.379 108.800 0.246 0.000 2.651 103 G HA2 0.264 4.224 3.960 -0.000 0.000 0.207 103 G HA3 0.264 4.224 3.960 -0.000 0.000 0.207 103 G C -0.425 174.654 174.900 0.299 0.000 1.131 103 G CA 0.251 45.418 45.100 0.112 0.000 0.816 103 G HN 0.584 nan 8.290 nan 0.000 0.534 104 T N 0.716 115.455 114.554 0.308 0.000 2.949 104 T HA 0.496 4.846 4.350 -0.000 0.000 0.300 104 T C -1.593 173.133 174.700 0.043 0.000 0.988 104 T CA -0.337 61.889 62.100 0.211 0.000 0.993 104 T CB 2.208 71.098 68.868 0.037 0.000 0.984 104 T HN 0.143 nan 8.240 nan 0.000 0.442 105 L N 5.229 126.344 121.223 -0.178 0.000 2.307 105 L HA 0.823 5.163 4.340 -0.000 0.000 0.284 105 L C -1.063 175.593 176.870 -0.357 0.000 1.023 105 L CA -0.448 54.052 54.840 -0.566 0.000 0.810 105 L CB 1.267 42.451 42.059 -1.459 0.000 1.231 105 L HN 0.419 nan 8.230 nan 0.000 0.423 106 V N 6.210 125.909 119.914 -0.360 0.000 2.513 106 V HA 0.458 4.578 4.120 -0.000 0.000 0.299 106 V C -0.239 175.647 176.094 -0.347 0.000 1.035 106 V CA -0.560 61.521 62.300 -0.364 0.000 0.889 106 V CB 1.673 33.140 31.823 -0.595 0.000 0.988 106 V HN 0.599 nan 8.190 nan 0.000 0.440 107 L N 4.242 125.291 121.223 -0.289 0.000 2.295 107 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 107 L C 0.404 177.157 176.870 -0.196 0.000 1.018 107 L CA -0.252 54.453 54.840 -0.226 0.000 0.841 107 L CB 1.479 43.431 42.059 -0.178 0.000 1.218 107 L HN 0.762 nan 8.230 nan 0.000 0.424 108 A N 0.947 123.659 122.820 -0.180 0.000 3.105 108 A HA 0.283 4.603 4.320 -0.000 0.000 0.297 108 A C 0.992 178.510 177.584 -0.109 0.000 0.977 108 A CA -0.247 51.696 52.037 -0.157 0.000 1.020 108 A CB -0.260 18.637 19.000 -0.172 0.000 1.098 108 A HN 0.673 nan 8.150 nan 0.000 0.497 109 T N -2.612 111.885 114.554 -0.094 0.000 3.252 109 T HA 0.416 4.765 4.350 -0.000 0.000 0.250 109 T C 1.346 176.006 174.700 -0.068 0.000 1.123 109 T CA 0.728 62.787 62.100 -0.067 0.000 1.006 109 T CB -0.493 68.345 68.868 -0.050 0.000 0.992 109 T HN 1.755 nan 8.240 nan 0.000 0.547 110 G N 1.665 110.415 108.800 -0.084 0.000 2.582 110 G HA2 0.108 4.067 3.960 -0.000 0.000 0.300 110 G HA3 0.108 4.067 3.960 -0.000 0.000 0.300 110 G C 0.064 174.920 174.900 -0.074 0.000 1.300 110 G CA 0.086 45.135 45.100 -0.085 0.000 0.959 110 G HN 1.422 nan 8.290 nan 0.000 0.548 111 A N -1.667 121.112 122.820 -0.069 0.000 2.524 111 A HA 1.100 5.420 4.320 -0.000 0.000 0.286 111 A C 0.049 177.604 177.584 -0.049 0.000 1.203 111 A CA 0.413 52.414 52.037 -0.060 0.000 0.736 111 A CB 1.343 20.304 19.000 -0.066 0.000 1.322 111 A HN 2.657 nan 8.150 nan 0.000 0.424 112 A N 0.674 123.469 122.820 -0.041 0.000 2.414 112 A HA 0.848 5.168 4.320 -0.000 0.000 0.306 112 A C -3.029 174.537 177.584 -0.029 0.000 1.054 112 A CA -1.821 50.197 52.037 -0.031 0.000 0.724 112 A CB 1.084 20.070 19.000 -0.024 0.000 1.267 112 A HN 0.536 nan 8.150 nan 0.000 0.418 113 P HA 0.046 nan 4.420 nan 0.000 0.262 113 P C -0.375 176.915 177.300 -0.017 0.000 1.182 113 P CA 0.223 63.310 63.100 -0.021 0.000 0.761 113 P CB 0.361 32.052 31.700 -0.014 0.000 0.795 114 R N 2.094 122.582 120.500 -0.020 0.000 2.537 114 R HA 0.354 4.693 4.340 -0.000 0.000 0.280 114 R C 0.601 176.894 176.300 -0.011 0.000 1.058 114 R CA -0.079 56.011 56.100 -0.016 0.000 1.057 114 R CB 0.310 30.599 30.300 -0.018 0.000 0.973 114 R HN 0.544 nan 8.270 nan 0.000 0.438 115 A N 3.410 126.226 122.820 -0.008 0.000 2.287 115 A HA 0.320 4.640 4.320 -0.000 0.000 0.273 115 A C -0.926 176.655 177.584 -0.005 0.000 1.091 115 A CA -0.519 51.515 52.037 -0.004 0.000 0.817 115 A CB 0.670 19.669 19.000 -0.002 0.000 1.069 115 A HN 0.544 nan 8.150 nan 0.000 0.492 116 L N 2.968 124.189 121.223 -0.003 0.000 2.277 116 L HA 0.431 4.771 4.340 -0.000 0.000 0.284 116 L C -1.557 175.310 176.870 -0.004 0.000 1.028 116 L CA -1.836 53.000 54.840 -0.006 0.000 0.835 116 L CB 1.055 43.108 42.059 -0.009 0.000 1.215 116 L HN 0.496 nan 8.230 nan 0.000 0.425 117 P HA -0.235 nan 4.420 nan 0.000 0.202 117 P C 1.501 178.799 177.300 -0.003 0.000 1.121 117 P CA 2.526 65.625 63.100 -0.003 0.000 0.939 117 P CB -0.368 31.330 31.700 -0.004 0.000 0.761 118 T N -1.172 113.379 114.554 -0.005 0.000 2.731 118 T HA -0.247 4.102 4.350 -0.000 0.000 0.263 118 T C 1.612 176.308 174.700 -0.006 0.000 1.033 118 T CA 1.957 64.053 62.100 -0.006 0.000 1.160 118 T CB -1.349 67.514 68.868 -0.008 0.000 0.849 118 T HN -0.050 nan 8.240 nan 0.000 0.469 119 L N 0.945 122.165 121.223 -0.006 0.000 2.693 119 L HA 0.349 4.689 4.340 -0.000 0.000 0.242 119 L C 0.903 177.773 176.870 -0.001 0.000 1.157 119 L CA 0.382 55.219 54.840 -0.006 0.000 0.929 119 L CB -0.842 41.211 42.059 -0.009 0.000 1.103 119 L HN 0.330 nan 8.230 nan 0.000 0.430 120 Q N -0.167 119.633 119.800 0.000 0.000 2.244 120 Q HA 0.349 4.689 4.340 -0.000 0.000 0.278 120 Q C 1.392 177.394 176.000 0.003 0.000 1.093 120 Q CA 1.145 56.950 55.803 0.003 0.000 0.916 120 Q CB 0.108 28.847 28.738 0.001 0.000 1.159 120 Q HN 0.413 nan 8.270 nan 0.000 0.384 121 G N 2.450 111.253 108.800 0.007 0.000 2.234 121 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.260 121 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.260 121 G C 0.382 175.285 174.900 0.006 0.000 0.987 121 G CA 0.049 45.153 45.100 0.007 0.000 0.625 121 G HN 1.118 nan 8.290 nan 0.000 0.532 122 A N 1.145 123.966 122.820 0.003 0.000 2.500 122 A HA 0.396 4.715 4.320 -0.000 0.000 0.286 122 A C 2.027 179.612 177.584 0.001 0.000 1.170 122 A CA 2.093 54.129 52.037 -0.001 0.000 0.951 122 A CB -1.039 17.956 19.000 -0.007 0.000 0.965 122 A HN 2.177 nan 8.150 nan 0.000 0.551 123 T N 3.107 117.662 114.554 0.002 0.000 2.582 123 T HA -0.364 3.986 4.350 -0.000 0.000 0.238 123 T C 1.246 175.950 174.700 0.007 0.000 1.283 123 T CA 2.400 64.503 62.100 0.004 0.000 1.101 123 T CB -0.893 67.976 68.868 0.001 0.000 0.823 123 T HN 1.349 nan 8.240 nan 0.000 0.467 124 M N 1.747 121.347 119.600 -0.001 0.000 2.167 124 M HA 0.383 4.862 4.480 -0.000 0.000 0.300 124 M C -2.539 173.759 176.300 -0.004 0.000 1.171 124 M CA -1.345 53.953 55.300 -0.004 0.000 1.171 124 M CB -0.917 31.671 32.600 -0.020 0.000 1.396 124 M HN 0.027 nan 8.290 nan 0.000 0.466 125 P HA 0.164 nan 4.420 nan 0.000 0.262 125 P C -1.140 176.056 177.300 -0.173 0.000 1.182 125 P CA -0.102 62.994 63.100 -0.008 0.000 0.761 125 P CB 0.368 32.042 31.700 -0.043 0.000 0.795 126 V N 5.008 124.896 119.914 -0.043 0.000 2.532 126 V HA 0.293 4.413 4.120 -0.000 0.000 0.294 126 V C -0.467 175.800 176.094 0.288 0.000 1.036 126 V CA -0.516 61.761 62.300 -0.037 0.000 0.876 126 V CB 1.216 33.050 31.823 0.019 0.000 1.012 126 V HN 0.603 nan 8.190 nan 0.000 0.432 127 H N 1.458 120.523 119.070 -0.009 0.000 2.797 127 H HA 0.856 5.412 4.556 -0.000 0.000 0.362 127 H C 0.027 175.347 175.328 -0.013 0.000 1.183 127 H CA -1.002 55.040 56.048 -0.009 0.000 1.197 127 H CB 2.010 31.769 29.762 -0.006 0.000 1.835 127 H HN 0.637 nan 8.280 nan 0.000 0.567 128 T N -0.796 113.835 114.554 0.128 0.000 2.942 128 T HA 0.540 4.890 4.350 -0.000 0.000 0.289 128 T C -0.141 174.590 174.700 0.052 0.000 1.044 128 T CA -1.035 61.098 62.100 0.055 0.000 1.023 128 T CB 1.588 70.472 68.868 0.027 0.000 1.123 128 T HN 0.350 nan 8.240 nan 0.000 0.512 129 L N 1.603 122.840 121.223 0.023 0.000 2.384 129 L HA 0.553 4.893 4.340 -0.000 0.000 0.261 129 L C 0.417 177.286 176.870 -0.000 0.000 1.024 129 L CA -0.517 54.332 54.840 0.015 0.000 0.899 129 L CB 1.140 43.206 42.059 0.012 0.000 1.243 129 L HN 0.767 nan 8.230 nan 0.000 0.449 130 R N 1.026 121.527 120.500 0.001 0.000 2.428 130 R HA 0.180 4.520 4.340 -0.000 0.000 0.193 130 R C 0.584 176.901 176.300 0.029 0.000 0.852 130 R CA 1.020 57.122 56.100 0.002 0.000 1.055 130 R CB 0.462 30.759 30.300 -0.005 0.000 1.343 130 R HN 0.586 nan 8.270 nan 0.000 0.655 131 T N -1.911 112.662 114.554 0.033 0.000 2.937 131 T HA 0.238 4.587 4.350 -0.000 0.000 0.283 131 T C 0.915 175.605 174.700 -0.016 0.000 1.012 131 T CA -0.593 61.558 62.100 0.086 0.000 0.997 131 T CB 1.017 69.928 68.868 0.071 0.000 1.136 131 T HN 0.023 nan 8.240 nan 0.000 0.551 132 L N 0.501 121.666 121.223 -0.096 0.000 2.156 132 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 132 L C 2.574 179.303 176.870 -0.234 0.000 1.095 132 L CA 2.083 56.676 54.840 -0.412 0.000 0.770 132 L CB -1.179 40.408 42.059 -0.787 0.000 0.914 132 L HN 0.983 nan 8.230 nan 0.000 0.439 133 E N -1.040 119.085 120.200 -0.124 0.000 2.106 133 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 133 E C 1.513 178.070 176.600 -0.072 0.000 0.984 133 E CA 1.328 57.682 56.400 -0.076 0.000 0.806 133 E CB -0.055 29.614 29.700 -0.052 0.000 0.750 133 E HN 0.479 nan 8.360 nan 0.000 0.458 134 D N 0.859 121.218 120.400 -0.069 0.000 2.078 134 D HA -0.139 4.500 4.640 -0.000 0.000 0.193 134 D C 1.987 178.269 176.300 -0.030 0.000 0.990 134 D CA 1.758 55.725 54.000 -0.056 0.000 0.827 134 D CB -0.686 40.099 40.800 -0.025 0.000 0.975 134 D HN 0.333 nan 8.370 nan 0.000 0.451 135 A N 1.081 123.861 122.820 -0.066 0.000 1.915 135 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 135 A C 2.199 179.846 177.584 0.104 0.000 1.198 135 A CA 2.092 54.100 52.037 -0.049 0.000 0.647 135 A CB -0.648 18.135 19.000 -0.362 0.000 0.825 135 A HN 0.159 nan 8.150 nan 0.000 0.456 136 R N -1.393 119.160 120.500 0.089 0.000 2.075 136 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 136 R C 2.579 178.925 176.300 0.078 0.000 1.126 136 R CA 1.590 57.780 56.100 0.150 0.000 0.963 136 R CB -0.264 30.099 30.300 0.105 0.000 0.858 136 R HN 0.510 nan 8.270 nan 0.000 0.435 137 R N 0.379 120.887 120.500 0.015 0.000 2.070 137 R HA -0.100 4.239 4.340 -0.000 0.000 0.233 137 R C 2.251 178.615 176.300 0.107 0.000 1.137 137 R CA 1.596 57.687 56.100 -0.015 0.000 0.945 137 R CB -0.353 29.813 30.300 -0.223 0.000 0.845 137 R HN 0.158 nan 8.270 nan 0.000 0.430 138 I N 0.533 121.205 120.570 0.171 0.000 2.163 138 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 138 I C 2.754 178.942 176.117 0.119 0.000 1.085 138 I CA 1.419 62.846 61.300 0.211 0.000 1.347 138 I CB -0.314 37.785 38.000 0.164 0.000 1.044 138 I HN 0.324 nan 8.210 nan 0.000 0.408 139 Q N 0.728 120.595 119.800 0.111 0.000 2.133 139 Q HA -0.317 4.022 4.340 -0.000 0.000 0.208 139 Q C 2.285 178.314 176.000 0.049 0.000 0.991 139 Q CA 2.257 58.108 55.803 0.080 0.000 0.867 139 Q CB -0.165 28.635 28.738 0.102 0.000 0.911 139 Q HN 0.600 nan 8.270 nan 0.000 0.417 140 A N 0.446 123.300 122.820 0.057 0.000 1.859 140 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 140 A C 2.189 179.795 177.584 0.036 0.000 1.198 140 A CA 1.838 53.899 52.037 0.040 0.000 0.629 140 A CB -1.446 17.581 19.000 0.045 0.000 0.830 140 A HN 0.589 nan 8.150 nan 0.000 0.446 141 G N -1.011 107.822 108.800 0.055 0.000 2.807 141 G HA2 0.184 4.144 3.960 -0.000 0.000 0.207 141 G HA3 0.184 4.144 3.960 -0.000 0.000 0.207 141 G C 0.713 175.620 174.900 0.011 0.000 1.151 141 G CA -0.012 45.109 45.100 0.034 0.000 0.800 141 G HN 0.416 nan 8.290 nan 0.000 0.523 142 L N 1.564 122.793 121.223 0.011 0.000 2.939 142 L HA 0.188 4.528 4.340 -0.000 0.000 0.239 142 L C 0.941 177.800 176.870 -0.018 0.000 1.325 142 L CA -0.382 54.455 54.840 -0.005 0.000 1.170 142 L CB -0.452 41.607 42.059 -0.000 0.000 1.538 142 L HN 0.379 nan 8.230 nan 0.000 0.452 143 R N -0.287 120.202 120.500 -0.018 0.000 2.438 143 R HA 0.387 4.726 4.340 -0.000 0.000 0.287 143 R C -2.541 173.733 176.300 -0.043 0.000 1.077 143 R CA -1.884 54.201 56.100 -0.025 0.000 1.034 143 R CB -0.476 29.815 30.300 -0.015 0.000 0.993 143 R HN -0.088 nan 8.270 nan 0.000 0.459 144 P HA -0.089 nan 4.420 nan 0.000 0.266 144 P C -0.461 176.777 177.300 -0.104 0.000 1.186 144 P CA 0.305 63.351 63.100 -0.090 0.000 0.767 144 P CB 0.468 32.126 31.700 -0.071 0.000 0.820 145 Q N -1.235 118.438 119.800 -0.212 0.000 2.217 145 Q HA -0.240 4.100 4.340 -0.000 0.000 0.170 145 Q C 0.494 176.482 176.000 -0.020 0.000 0.597 145 Q CA 1.905 57.584 55.803 -0.207 0.000 1.426 145 Q CB -2.459 26.261 28.738 -0.030 0.000 1.504 145 Q HN 0.686 nan 8.270 nan 0.000 0.860 146 S N 0.639 116.319 115.700 -0.033 0.000 2.587 146 S HA 0.336 4.806 4.470 -0.000 0.000 0.260 146 S C 0.203 174.839 174.600 0.059 0.000 1.353 146 S CA 0.025 58.236 58.200 0.019 0.000 0.995 146 S CB 0.740 63.936 63.200 -0.007 0.000 0.912 146 S HN 0.380 nan 8.310 nan 0.000 0.568 147 R N 1.076 121.611 120.500 0.058 0.000 2.360 147 R HA 0.677 5.017 4.340 -0.000 0.000 0.318 147 R C -1.198 175.110 176.300 0.013 0.000 0.950 147 R CA -0.945 55.195 56.100 0.066 0.000 0.837 147 R CB 0.726 31.059 30.300 0.055 0.000 1.165 147 R HN 0.509 nan 8.270 nan 0.000 0.458 148 L N 3.955 125.183 121.223 0.008 0.000 2.295 148 L HA 0.476 4.816 4.340 -0.000 0.000 0.285 148 L C -1.308 175.542 176.870 -0.033 0.000 1.035 148 L CA -0.968 53.857 54.840 -0.025 0.000 0.806 148 L CB 1.584 43.626 42.059 -0.028 0.000 1.214 148 L HN 0.745 nan 8.230 nan 0.000 0.426 149 L N 6.468 127.660 121.223 -0.052 0.000 2.305 149 L HA 0.621 4.960 4.340 -0.000 0.000 0.284 149 L C -1.077 175.752 176.870 -0.068 0.000 1.013 149 L CA -0.077 54.728 54.840 -0.058 0.000 0.819 149 L CB 1.113 43.138 42.059 -0.057 0.000 1.227 149 L HN 0.585 nan 8.230 nan 0.000 0.417 150 I N 5.701 126.227 120.570 -0.073 0.000 2.377 150 I HA 0.375 4.544 4.170 -0.000 0.000 0.293 150 I C -0.662 175.406 176.117 -0.081 0.000 0.987 150 I CA -0.916 60.338 61.300 -0.076 0.000 1.185 150 I CB 1.872 39.821 38.000 -0.085 0.000 1.341 150 I HN 0.274 nan 8.210 nan 0.000 0.455 151 V N 5.453 125.326 119.914 -0.068 0.000 2.294 151 V HA 0.762 4.882 4.120 -0.000 0.000 0.272 151 V C 0.320 176.379 176.094 -0.060 0.000 1.027 151 V CA -0.362 61.899 62.300 -0.064 0.000 0.823 151 V CB 0.594 32.387 31.823 -0.049 0.000 1.030 151 V HN 1.058 nan 8.190 nan 0.000 0.457 152 G N 3.164 111.921 108.800 -0.072 0.000 3.088 152 G HA2 0.222 4.181 3.960 -0.000 0.000 0.620 152 G HA3 0.222 4.181 3.960 -0.000 0.000 0.620 152 G C 0.124 174.982 174.900 -0.069 0.000 1.375 152 G CA -0.451 44.615 45.100 -0.058 0.000 1.016 152 G HN 1.021 nan 8.290 nan 0.000 0.590 153 G N 0.560 109.329 108.800 -0.052 0.000 3.496 153 G HA2 0.597 4.557 3.960 -0.000 0.000 0.273 153 G HA3 0.597 4.557 3.960 -0.000 0.000 0.273 153 G C 1.005 175.906 174.900 0.002 0.000 1.279 153 G CA 1.001 46.078 45.100 -0.039 0.000 1.041 153 G HN 1.193 nan 8.290 nan 0.000 0.539 154 G N -0.338 108.452 108.800 -0.017 0.000 2.494 154 G HA2 0.301 4.261 3.960 -0.000 0.000 0.270 154 G HA3 0.301 4.261 3.960 -0.000 0.000 0.270 154 G C 1.363 176.253 174.900 -0.017 0.000 1.423 154 G CA 0.442 45.534 45.100 -0.014 0.000 1.055 154 G HN 0.366 nan 8.290 nan 0.000 0.536 155 V N -1.357 118.535 119.914 -0.035 0.000 2.591 155 V HA 0.033 4.153 4.120 -0.000 0.000 0.249 155 V C 2.579 178.647 176.094 -0.044 0.000 1.053 155 V CA 0.984 63.264 62.300 -0.034 0.000 1.068 155 V CB -0.790 30.983 31.823 -0.083 0.000 0.689 155 V HN 0.553 nan 8.190 nan 0.000 0.462 156 I N 1.629 122.166 120.570 -0.056 0.000 2.286 156 I HA -0.060 4.109 4.170 -0.000 0.000 0.245 156 I C 2.569 178.663 176.117 -0.039 0.000 1.104 156 I CA 1.533 62.805 61.300 -0.047 0.000 1.397 156 I CB -0.542 37.430 38.000 -0.047 0.000 1.072 156 I HN 0.421 nan 8.210 nan 0.000 0.417 157 G N 0.733 109.503 108.800 -0.049 0.000 2.421 157 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 157 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 157 G C 1.617 176.460 174.900 -0.094 0.000 1.171 157 G CA 0.493 45.553 45.100 -0.067 0.000 0.775 157 G HN 0.312 nan 8.290 nan 0.000 0.543 158 L N -0.116 121.049 121.223 -0.097 0.000 2.217 158 L HA 0.082 4.422 4.340 -0.000 0.000 0.211 158 L C 2.718 179.580 176.870 -0.013 0.000 1.107 158 L CA 0.679 55.418 54.840 -0.169 0.000 0.783 158 L CB -0.261 41.747 42.059 -0.086 0.000 0.919 158 L HN 0.253 nan 8.230 nan 0.000 0.442 159 E N 0.135 120.348 120.200 0.022 0.000 2.152 159 E HA -0.162 4.187 4.350 -0.000 0.000 0.192 159 E C 2.286 178.914 176.600 0.046 0.000 0.983 159 E CA 0.678 57.112 56.400 0.056 0.000 0.818 159 E CB 0.121 29.837 29.700 0.026 0.000 0.758 159 E HN 0.413 nan 8.360 nan 0.000 0.467 160 L N 0.301 121.530 121.223 0.011 0.000 2.131 160 L HA -0.062 4.277 4.340 -0.000 0.000 0.206 160 L C 2.374 179.248 176.870 0.007 0.000 1.087 160 L CA 0.819 55.665 54.840 0.010 0.000 0.767 160 L CB -0.288 41.767 42.059 -0.007 0.000 0.917 160 L HN 0.119 nan 8.230 nan 0.000 0.441 161 A N 0.081 122.888 122.820 -0.022 0.000 1.883 161 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 161 A C 2.448 180.065 177.584 0.056 0.000 1.186 161 A CA 1.866 53.886 52.037 -0.028 0.000 0.624 161 A CB -0.784 18.129 19.000 -0.146 0.000 0.822 161 A HN 0.511 nan 8.150 nan 0.000 0.444 162 A N -1.374 121.529 122.820 0.138 0.000 1.908 162 A HA -0.113 4.206 4.320 -0.000 0.000 0.218 162 A C 2.314 179.960 177.584 0.103 0.000 1.181 162 A CA 2.366 54.519 52.037 0.192 0.000 0.627 162 A CB -1.269 17.890 19.000 0.265 0.000 0.818 162 A HN 0.426 nan 8.150 nan 0.000 0.445 163 T N -0.238 114.361 114.554 0.076 0.000 2.904 163 T HA 0.109 4.459 4.350 -0.000 0.000 0.267 163 T C 2.135 176.850 174.700 0.026 0.000 1.059 163 T CA 1.259 63.388 62.100 0.048 0.000 1.137 163 T CB -0.278 68.616 68.868 0.044 0.000 0.879 163 T HN 0.576 nan 8.240 nan 0.000 0.467 164 A N 1.744 124.576 122.820 0.020 0.000 1.872 164 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 164 A C 2.402 179.980 177.584 -0.009 0.000 1.187 164 A CA 0.842 52.879 52.037 -0.000 0.000 0.614 164 A CB -0.286 18.710 19.000 -0.006 0.000 0.826 164 A HN 0.236 nan 8.150 nan 0.000 0.442 165 R N -0.908 119.597 120.500 0.008 0.000 2.092 165 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 165 R C 1.968 178.265 176.300 -0.004 0.000 1.119 165 R CA 1.605 57.705 56.100 0.001 0.000 0.970 165 R CB -1.117 29.196 30.300 0.022 0.000 0.864 165 R HN 0.470 nan 8.270 nan 0.000 0.440 166 T N 0.191 114.754 114.554 0.015 0.000 3.098 166 T HA 0.040 4.390 4.350 -0.000 0.000 0.266 166 T C 0.827 175.525 174.700 -0.005 0.000 1.145 166 T CA 0.925 63.033 62.100 0.013 0.000 1.092 166 T CB -0.033 68.855 68.868 0.033 0.000 0.908 166 T HN 0.299 nan 8.240 nan 0.000 0.526 167 A N -0.578 122.230 122.820 -0.019 0.000 2.749 167 A HA 0.619 4.939 4.320 -0.000 0.000 0.299 167 A C 1.505 179.054 177.584 -0.058 0.000 1.105 167 A CA 0.301 52.319 52.037 -0.031 0.000 0.987 167 A CB -0.498 18.486 19.000 -0.027 0.000 1.180 167 A HN 0.541 nan 8.150 nan 0.000 0.528 168 G N -0.937 107.820 108.800 -0.073 0.000 2.196 168 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.268 168 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.268 168 G C 0.422 175.190 174.900 -0.221 0.000 0.975 168 G CA 0.530 45.556 45.100 -0.124 0.000 0.648 168 G HN 0.955 nan 8.290 nan 0.000 0.538 169 V N 0.258 120.071 119.914 -0.169 0.000 2.834 169 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 169 V C 0.734 176.705 176.094 -0.204 0.000 1.066 169 V CA -0.538 61.647 62.300 -0.192 0.000 1.052 169 V CB 1.245 33.019 31.823 -0.082 0.000 1.021 169 V HN 0.405 nan 8.190 nan 0.000 0.480 170 H N 0.893 119.951 119.070 -0.020 0.000 2.473 170 H HA 0.633 5.188 4.556 -0.000 0.000 0.327 170 H C -0.632 174.677 175.328 -0.032 0.000 1.105 170 H CA -0.588 55.444 56.048 -0.025 0.000 1.280 170 H CB 1.554 31.301 29.762 -0.025 0.000 1.450 170 H HN 0.429 nan 8.280 nan 0.000 0.492 171 V N 2.464 122.436 119.914 0.096 0.000 2.588 171 V HA 0.372 4.492 4.120 -0.000 0.000 0.304 171 V C -0.198 175.888 176.094 -0.013 0.000 1.042 171 V CA -0.725 61.587 62.300 0.020 0.000 0.877 171 V CB 1.893 33.712 31.823 -0.007 0.000 0.996 171 V HN 0.712 nan 8.190 nan 0.000 0.425 172 S N 3.841 119.519 115.700 -0.037 0.000 2.526 172 S HA 0.827 5.297 4.470 -0.000 0.000 0.293 172 S C -0.968 173.579 174.600 -0.089 0.000 1.092 172 S CA -0.484 57.678 58.200 -0.063 0.000 0.980 172 S CB 1.658 64.825 63.200 -0.055 0.000 1.048 172 S HN 0.683 nan 8.310 nan 0.000 0.483 173 L N 3.627 124.775 121.223 -0.125 0.000 2.431 173 L HA 0.753 5.093 4.340 -0.000 0.000 0.266 173 L C -1.601 175.154 176.870 -0.193 0.000 0.978 173 L CA -0.603 54.143 54.840 -0.157 0.000 0.822 173 L CB 1.634 43.578 42.059 -0.193 0.000 1.310 173 L HN 0.438 nan 8.230 nan 0.000 0.409 174 V N 3.195 123.011 119.914 -0.163 0.000 2.448 174 V HA 0.562 4.682 4.120 -0.000 0.000 0.295 174 V C -0.717 175.285 176.094 -0.154 0.000 1.025 174 V CA -0.511 61.694 62.300 -0.159 0.000 0.859 174 V CB 1.720 33.485 31.823 -0.098 0.000 0.988 174 V HN 0.755 nan 8.190 nan 0.000 0.431 175 E N 2.330 122.423 120.200 -0.178 0.000 2.256 175 E HA 0.436 4.786 4.350 -0.000 0.000 0.268 175 E C 0.738 177.338 176.600 -0.000 0.000 0.877 175 E CA -0.090 56.255 56.400 -0.092 0.000 0.757 175 E CB 2.172 31.803 29.700 -0.115 0.000 1.183 175 E HN 0.701 nan 8.360 nan 0.000 0.418 176 T N 1.127 115.697 114.554 0.026 0.000 2.951 176 T HA 0.023 4.372 4.350 -0.000 0.000 0.268 176 T C 0.649 175.399 174.700 0.084 0.000 1.073 176 T CA 0.442 62.569 62.100 0.045 0.000 1.134 176 T CB 0.000 68.885 68.868 0.028 0.000 0.884 176 T HN 0.316 nan 8.240 nan 0.000 0.479 177 Q N 1.537 121.407 119.800 0.117 0.000 2.260 177 Q HA 0.268 4.608 4.340 -0.000 0.000 0.238 177 Q C -1.831 174.300 176.000 0.218 0.000 0.948 177 Q CA -2.556 53.327 55.803 0.133 0.000 0.895 177 Q CB 1.204 30.010 28.738 0.113 0.000 1.218 177 Q HN 0.144 nan 8.270 nan 0.000 0.470 178 P HA -0.106 nan 4.420 nan 0.000 0.234 178 P C -0.236 176.921 177.300 -0.239 0.000 1.167 178 P CA 1.083 64.184 63.100 0.003 0.000 0.763 178 P CB 0.461 32.141 31.700 -0.033 0.000 0.835 179 R N -1.946 118.529 120.500 -0.041 0.000 2.781 179 R HA 0.622 4.962 4.340 -0.000 0.000 0.269 179 R C -0.842 175.635 176.300 0.295 0.000 1.025 179 R CA -1.115 54.931 56.100 -0.090 0.000 0.914 179 R CB 0.577 30.837 30.300 -0.067 0.000 1.236 179 R HN -0.210 nan 8.270 nan 0.000 0.465 180 L N 1.198 122.624 121.223 0.338 0.000 2.431 180 L HA 0.414 4.754 4.340 -0.000 0.000 0.260 180 L C 0.685 177.658 176.870 0.172 0.000 1.098 180 L CA -0.893 54.120 54.840 0.290 0.000 0.800 180 L CB 0.518 42.753 42.059 0.293 0.000 1.210 180 L HN 0.794 nan 8.230 nan 0.000 0.465 181 M N -0.207 119.471 119.600 0.131 0.000 2.375 181 M HA -0.279 4.200 4.480 -0.000 0.000 0.197 181 M C 1.284 177.642 176.300 0.098 0.000 0.414 181 M CA 0.544 55.908 55.300 0.106 0.000 0.442 181 M CB -1.509 31.173 32.600 0.136 0.000 1.527 181 M HN 0.805 nan 8.290 nan 0.000 0.864 182 S N -0.469 115.284 115.700 0.089 0.000 2.407 182 S HA -0.215 4.255 4.470 -0.000 0.000 0.235 182 S C 1.547 176.183 174.600 0.060 0.000 1.036 182 S CA 1.665 59.909 58.200 0.074 0.000 1.013 182 S CB -0.285 62.956 63.200 0.068 0.000 0.820 182 S HN 0.714 nan 8.310 nan 0.000 0.476 183 R N 1.713 122.241 120.500 0.046 0.000 2.096 183 R HA -0.021 4.319 4.340 -0.000 0.000 0.229 183 R C 0.838 177.164 176.300 0.044 0.000 1.134 183 R CA 1.594 57.710 56.100 0.027 0.000 0.917 183 R CB -0.253 30.040 30.300 -0.012 0.000 0.832 183 R HN 0.419 nan 8.270 nan 0.000 0.430 184 A N -0.417 122.442 122.820 0.065 0.000 3.308 184 A HA 0.620 4.940 4.320 -0.000 0.000 0.275 184 A C -1.100 176.623 177.584 0.231 0.000 0.950 184 A CA -0.116 51.999 52.037 0.131 0.000 0.987 184 A CB 0.836 19.895 19.000 0.098 0.000 1.146 184 A HN 0.392 nan 8.150 nan 0.000 0.488 185 A N 0.757 123.681 122.820 0.175 0.000 2.515 185 A HA 0.887 5.207 4.320 -0.000 0.000 0.298 185 A C -3.314 174.352 177.584 0.137 0.000 1.059 185 A CA -1.575 50.569 52.037 0.178 0.000 0.698 185 A CB 1.123 20.233 19.000 0.183 0.000 1.289 185 A HN 0.192 nan 8.150 nan 0.000 0.404 186 P HA 0.324 nan 4.420 nan 0.000 0.271 186 P C 0.935 178.298 177.300 0.105 0.000 1.218 186 P CA 0.413 63.578 63.100 0.109 0.000 0.780 186 P CB 0.977 32.743 31.700 0.111 0.000 0.901 187 A N 2.473 125.341 122.820 0.079 0.000 1.933 187 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 187 A C 2.061 179.691 177.584 0.077 0.000 1.175 187 A CA 2.218 54.295 52.037 0.067 0.000 0.628 187 A CB -1.877 17.147 19.000 0.040 0.000 0.814 187 A HN 0.540 nan 8.150 nan 0.000 0.444 188 T N 0.136 114.733 114.554 0.071 0.000 2.665 188 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 188 T C 1.833 176.613 174.700 0.134 0.000 1.035 188 T CA 1.767 63.904 62.100 0.063 0.000 1.151 188 T CB -0.407 68.480 68.868 0.031 0.000 0.862 188 T HN 0.413 nan 8.240 nan 0.000 0.438 189 L N 1.192 122.528 121.223 0.188 0.000 2.056 189 L HA 0.140 4.480 4.340 -0.000 0.000 0.207 189 L C 2.546 179.588 176.870 0.287 0.000 1.078 189 L CA 1.880 56.893 54.840 0.288 0.000 0.749 189 L CB -0.980 41.221 42.059 0.237 0.000 0.901 189 L HN 0.198 nan 8.230 nan 0.000 0.433 190 A N -0.436 122.505 122.820 0.201 0.000 1.877 190 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 190 A C 1.960 179.650 177.584 0.178 0.000 1.186 190 A CA 1.827 53.973 52.037 0.182 0.000 0.620 190 A CB -0.927 18.151 19.000 0.130 0.000 0.822 190 A HN 0.554 nan 8.150 nan 0.000 0.443 191 D N -0.939 119.547 120.400 0.144 0.000 2.133 191 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 191 D C 1.593 178.013 176.300 0.200 0.000 0.997 191 D CA 1.394 55.464 54.000 0.117 0.000 0.840 191 D CB -0.499 40.351 40.800 0.084 0.000 0.947 191 D HN 0.466 nan 8.370 nan 0.000 0.452 192 F N 1.629 121.642 119.950 0.106 0.000 2.084 192 F HA -0.177 4.350 4.527 -0.000 0.000 0.296 192 F C 2.303 178.217 175.800 0.191 0.000 1.111 192 F CA 0.848 58.935 58.000 0.144 0.000 1.224 192 F CB -0.563 38.558 39.000 0.200 0.000 0.991 192 F HN -0.225 nan 8.300 nan 0.000 0.471 193 V N 0.842 120.858 119.914 0.170 0.000 2.324 193 V HA -0.376 3.744 4.120 -0.000 0.000 0.250 193 V C 2.748 178.957 176.094 0.190 0.000 1.060 193 V CA 1.977 64.340 62.300 0.104 0.000 1.042 193 V CB -1.774 30.187 31.823 0.230 0.000 0.650 193 V HN 0.509 nan 8.190 nan 0.000 0.450 194 A N -0.328 122.624 122.820 0.221 0.000 1.877 194 A HA -0.225 4.094 4.320 -0.000 0.000 0.216 194 A C 2.395 180.074 177.584 0.158 0.000 1.186 194 A CA 1.843 54.040 52.037 0.266 0.000 0.620 194 A CB -0.530 18.629 19.000 0.264 0.000 0.822 194 A HN 0.484 nan 8.150 nan 0.000 0.443 195 R N -2.030 118.510 120.500 0.067 0.000 2.083 195 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 195 R C 2.187 178.439 176.300 -0.080 0.000 1.137 195 R CA 1.916 58.018 56.100 0.004 0.000 0.951 195 R CB -0.704 29.602 30.300 0.010 0.000 0.851 195 R HN 0.727 nan 8.270 nan 0.000 0.434 196 Y N 1.198 121.290 120.300 -0.345 0.000 2.097 196 Y HA -0.301 4.249 4.550 -0.000 0.000 0.282 196 Y C 2.452 178.201 175.900 -0.252 0.000 1.152 196 Y CA 1.751 59.606 58.100 -0.408 0.000 1.136 196 Y CB -0.458 37.608 38.460 -0.657 0.000 0.975 196 Y HN 0.138 nan 8.280 nan 0.000 0.498 197 H N -0.291 118.671 119.070 -0.180 0.000 2.321 197 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 197 H C 2.419 177.634 175.328 -0.189 0.000 1.087 197 H CA 1.393 57.315 56.048 -0.210 0.000 1.319 197 H CB -0.911 28.850 29.762 -0.003 0.000 1.379 197 H HN 0.515 nan 8.280 nan 0.000 0.501 198 A N 1.323 124.159 122.820 0.028 0.000 1.917 198 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 198 A C 2.695 180.240 177.584 -0.065 0.000 1.182 198 A CA 2.159 54.197 52.037 0.002 0.000 0.633 198 A CB -0.904 18.118 19.000 0.038 0.000 0.819 198 A HN 0.470 nan 8.150 nan 0.000 0.448 199 A N -1.546 121.194 122.820 -0.133 0.000 2.015 199 A HA -0.107 4.212 4.320 -0.000 0.000 0.219 199 A C 1.918 179.385 177.584 -0.194 0.000 1.163 199 A CA 1.448 53.393 52.037 -0.153 0.000 0.646 199 A CB -0.280 18.616 19.000 -0.174 0.000 0.806 199 A HN 0.495 nan 8.150 nan 0.000 0.448 200 Q N -1.335 118.289 119.800 -0.294 0.000 2.444 200 Q HA 0.177 4.517 4.340 -0.000 0.000 0.206 200 Q C 1.076 177.013 176.000 -0.105 0.000 0.948 200 Q CA 0.798 56.451 55.803 -0.249 0.000 0.946 200 Q CB 0.220 28.727 28.738 -0.385 0.000 1.027 200 Q HN 0.990 nan 8.270 nan 0.000 0.513 201 G N -0.140 108.618 108.800 -0.071 0.000 2.148 201 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.203 201 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.203 201 G C -0.025 174.873 174.900 -0.004 0.000 0.993 201 G CA 0.002 45.089 45.100 -0.021 0.000 0.661 201 G HN 0.172 nan 8.290 nan 0.000 0.518 202 V N 1.191 121.099 119.914 -0.009 0.000 2.498 202 V HA 0.460 4.580 4.120 -0.000 0.000 0.279 202 V C 0.287 176.367 176.094 -0.024 0.000 1.048 202 V CA -0.377 61.916 62.300 -0.011 0.000 0.967 202 V CB 1.774 33.593 31.823 -0.006 0.000 0.988 202 V HN 0.301 nan 8.190 nan 0.000 0.473 203 D N 4.945 125.319 120.400 -0.042 0.000 2.453 203 D HA 0.266 4.906 4.640 -0.000 0.000 0.223 203 D C -0.279 175.965 176.300 -0.092 0.000 1.183 203 D CA -0.105 53.864 54.000 -0.052 0.000 0.933 203 D CB 0.208 40.977 40.800 -0.052 0.000 1.038 203 D HN 0.382 nan 8.370 nan 0.000 0.513 204 L N 4.193 125.358 121.223 -0.097 0.000 2.331 204 L HA 0.345 4.684 4.340 -0.000 0.000 0.278 204 L C 0.663 177.382 176.870 -0.252 0.000 1.106 204 L CA -0.304 54.394 54.840 -0.237 0.000 0.824 204 L CB 0.650 42.585 42.059 -0.206 0.000 1.142 204 L HN 0.021 nan 8.230 nan 0.000 0.443 205 R N 4.264 124.542 120.500 -0.370 0.000 2.312 205 R HA 0.400 4.740 4.340 -0.000 0.000 0.310 205 R C -0.957 175.161 176.300 -0.304 0.000 1.064 205 R CA -0.516 55.449 56.100 -0.225 0.000 0.983 205 R CB 0.436 30.653 30.300 -0.138 0.000 1.139 205 R HN 0.295 nan 8.270 nan 0.000 0.536 206 F N 1.263 121.214 119.950 0.001 0.000 2.370 206 F HA 0.168 4.695 4.527 -0.000 0.000 0.324 206 F C 1.388 177.190 175.800 0.003 0.000 1.116 206 F CA -0.216 57.786 58.000 0.004 0.000 1.123 206 F CB 0.827 39.833 39.000 0.010 0.000 1.238 206 F HN 0.456 nan 8.300 nan 0.000 0.536 207 E N -0.713 119.620 120.200 0.221 0.000 3.065 207 E HA -0.276 4.073 4.350 -0.000 0.000 0.277 207 E C -0.152 176.486 176.600 0.063 0.000 1.008 207 E CA 0.506 56.977 56.400 0.118 0.000 0.864 207 E CB -1.078 28.684 29.700 0.104 0.000 1.439 207 E HN 0.459 nan 8.360 nan 0.000 0.445 208 R N 0.223 120.746 120.500 0.038 0.000 2.758 208 R HA 0.579 4.919 4.340 -0.000 0.000 0.265 208 R C -0.635 175.661 176.300 -0.007 0.000 1.016 208 R CA -0.047 56.057 56.100 0.006 0.000 1.040 208 R CB 1.539 31.829 30.300 -0.016 0.000 1.152 208 R HN 0.120 nan 8.270 nan 0.000 0.503 209 S N -0.526 115.167 115.700 -0.011 0.000 2.543 209 S HA 0.315 4.784 4.470 -0.000 0.000 0.273 209 S C -1.122 173.468 174.600 -0.017 0.000 1.152 209 S CA -1.021 57.170 58.200 -0.014 0.000 0.910 209 S CB 1.398 64.595 63.200 -0.004 0.000 1.105 209 S HN 0.232 nan 8.310 nan 0.000 0.465 210 V N 3.148 123.049 119.914 -0.022 0.000 2.485 210 V HA 0.202 4.322 4.120 -0.000 0.000 0.287 210 V C 1.742 177.827 176.094 -0.015 0.000 1.022 210 V CA 0.892 63.180 62.300 -0.021 0.000 1.067 210 V CB 0.620 32.428 31.823 -0.025 0.000 0.967 210 V HN 1.194 nan 8.190 nan 0.000 0.479 211 T N 1.195 115.741 114.554 -0.013 0.000 3.022 211 T HA 0.501 4.851 4.350 -0.000 0.000 0.250 211 T C 0.711 175.406 174.700 -0.009 0.000 1.060 211 T CA 0.464 62.559 62.100 -0.009 0.000 1.013 211 T CB 0.542 69.406 68.868 -0.007 0.000 0.982 211 T HN 1.051 nan 8.240 nan 0.000 0.508 212 G N 0.646 109.440 108.800 -0.011 0.000 2.392 212 G HA2 0.485 4.445 3.960 -0.000 0.000 0.260 212 G HA3 0.485 4.445 3.960 -0.000 0.000 0.260 212 G C -1.643 173.250 174.900 -0.012 0.000 1.226 212 G CA -0.222 44.872 45.100 -0.010 0.000 0.913 212 G HN 1.126 nan 8.290 nan 0.000 0.483 213 S N -1.740 113.953 115.700 -0.011 0.000 2.586 213 S HA 0.522 4.991 4.470 -0.000 0.000 0.296 213 S C -1.544 173.050 174.600 -0.009 0.000 1.120 213 S CA -0.506 57.687 58.200 -0.012 0.000 0.927 213 S CB 1.333 64.525 63.200 -0.013 0.000 1.114 213 S HN 1.531 nan 8.310 nan 0.000 0.453 214 V N 2.285 122.194 119.914 -0.009 0.000 2.380 214 V HA 0.557 4.677 4.120 -0.000 0.000 0.272 214 V C -0.169 175.920 176.094 -0.008 0.000 1.011 214 V CA -0.063 62.232 62.300 -0.007 0.000 0.826 214 V CB 0.496 32.314 31.823 -0.007 0.000 1.040 214 V HN 1.211 nan 8.190 nan 0.000 0.441 215 D N 4.163 124.559 120.400 -0.007 0.000 2.800 215 D HA -0.099 4.541 4.640 -0.000 0.000 0.248 215 D C 1.041 177.337 176.300 -0.008 0.000 1.091 215 D CA 1.871 55.867 54.000 -0.006 0.000 0.746 215 D CB -1.083 39.714 40.800 -0.005 0.000 1.062 215 D HN 1.508 nan 8.370 nan 0.000 0.431 216 G N -1.321 107.473 108.800 -0.010 0.000 2.147 216 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.244 216 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.244 216 G C 0.168 175.058 174.900 -0.016 0.000 1.005 216 G CA 0.224 45.316 45.100 -0.013 0.000 0.713 216 G HN 1.081 nan 8.290 nan 0.000 0.515 217 V N -0.494 119.411 119.914 -0.016 0.000 2.888 217 V HA 0.651 4.770 4.120 -0.000 0.000 0.309 217 V C 0.124 176.207 176.094 -0.019 0.000 1.114 217 V CA -0.880 61.409 62.300 -0.018 0.000 0.940 217 V CB 2.357 34.171 31.823 -0.016 0.000 1.021 217 V HN 0.387 nan 8.190 nan 0.000 0.426 218 V N 4.874 124.774 119.914 -0.023 0.000 2.427 218 V HA 0.480 4.600 4.120 -0.000 0.000 0.286 218 V C -0.088 175.993 176.094 -0.021 0.000 1.034 218 V CA -0.636 61.650 62.300 -0.023 0.000 0.893 218 V CB 1.632 33.437 31.823 -0.029 0.000 0.982 218 V HN 0.571 nan 8.190 nan 0.000 0.452 219 L N 5.203 126.415 121.223 -0.018 0.000 2.312 219 L HA 0.524 4.864 4.340 -0.000 0.000 0.281 219 L C -0.594 176.267 176.870 -0.016 0.000 1.070 219 L CA -0.369 54.462 54.840 -0.015 0.000 0.805 219 L CB 1.374 43.426 42.059 -0.012 0.000 1.174 219 L HN 0.426 nan 8.230 nan 0.000 0.434 220 L N 1.867 123.081 121.223 -0.015 0.000 2.333 220 L HA 0.280 4.620 4.340 -0.000 0.000 0.269 220 L C 0.839 177.704 176.870 -0.009 0.000 1.010 220 L CA -0.303 54.529 54.840 -0.014 0.000 0.818 220 L CB 1.376 43.425 42.059 -0.018 0.000 1.306 220 L HN 0.562 nan 8.230 nan 0.000 0.430 221 D N -0.588 119.808 120.400 -0.006 0.000 2.371 221 D HA -0.132 4.508 4.640 -0.000 0.000 0.234 221 D C 0.347 176.648 176.300 0.001 0.000 1.049 221 D CA 0.332 54.331 54.000 -0.002 0.000 0.907 221 D CB -0.239 40.562 40.800 0.001 0.000 0.891 221 D HN 0.585 nan 8.370 nan 0.000 0.531 222 D N -0.841 119.559 120.400 -0.001 0.000 2.643 222 D HA 0.183 4.823 4.640 -0.000 0.000 0.244 222 D C 1.517 177.817 176.300 -0.001 0.000 1.257 222 D CA 0.014 54.015 54.000 0.002 0.000 0.831 222 D CB -0.294 40.508 40.800 0.004 0.000 1.043 222 D HN 0.180 nan 8.370 nan 0.000 0.488 223 G N 0.741 109.540 108.800 -0.002 0.000 2.343 223 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.264 223 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.264 223 G C 0.767 175.663 174.900 -0.006 0.000 0.989 223 G CA 1.444 46.542 45.100 -0.003 0.000 0.627 223 G HN 0.817 nan 8.290 nan 0.000 0.549 224 T N -1.590 112.960 114.554 -0.007 0.000 2.865 224 T HA 0.756 5.106 4.350 -0.000 0.000 0.302 224 T C 0.376 175.068 174.700 -0.013 0.000 1.078 224 T CA 0.454 62.548 62.100 -0.010 0.000 0.942 224 T CB 1.160 70.022 68.868 -0.011 0.000 1.387 224 T HN 1.209 nan 8.240 nan 0.000 0.557 225 R N -1.079 119.411 120.500 -0.016 0.000 2.733 225 R HA 0.779 5.119 4.340 -0.000 0.000 0.272 225 R C -1.509 174.777 176.300 -0.024 0.000 1.029 225 R CA -1.050 55.039 56.100 -0.019 0.000 0.888 225 R CB 1.143 31.433 30.300 -0.017 0.000 1.251 225 R HN 0.628 nan 8.270 nan 0.000 0.464 226 I N 0.288 120.842 120.570 -0.027 0.000 2.692 226 I HA 0.581 4.751 4.170 -0.000 0.000 0.293 226 I C -0.776 175.324 176.117 -0.029 0.000 1.200 226 I CA -1.142 60.139 61.300 -0.031 0.000 1.036 226 I CB 2.380 40.357 38.000 -0.038 0.000 1.258 226 I HN 0.853 nan 8.210 nan 0.000 0.421 227 A N 4.239 127.042 122.820 -0.029 0.000 2.304 227 A HA 0.966 5.286 4.320 -0.000 0.000 0.301 227 A C -0.398 177.170 177.584 -0.026 0.000 1.132 227 A CA -0.284 51.737 52.037 -0.025 0.000 0.819 227 A CB 1.193 20.180 19.000 -0.023 0.000 1.094 227 A HN 0.988 nan 8.150 nan 0.000 0.492 228 A N 1.157 123.962 122.820 -0.025 0.000 2.566 228 A HA 0.580 4.900 4.320 -0.000 0.000 0.297 228 A C -0.501 177.066 177.584 -0.028 0.000 1.059 228 A CA -0.506 51.515 52.037 -0.028 0.000 0.691 228 A CB 0.873 19.849 19.000 -0.040 0.000 1.282 228 A HN 0.606 nan 8.150 nan 0.000 0.401 229 D N 0.608 120.993 120.400 -0.024 0.000 2.323 229 D HA 0.132 4.772 4.640 -0.000 0.000 0.209 229 D C 0.430 176.701 176.300 -0.048 0.000 0.973 229 D CA 1.722 55.708 54.000 -0.025 0.000 0.874 229 D CB 0.276 41.069 40.800 -0.011 0.000 0.930 229 D HN 0.656 nan 8.370 nan 0.000 0.521 230 M N -0.038 119.517 119.600 -0.074 0.000 2.389 230 M HA 0.250 4.730 4.480 -0.000 0.000 0.291 230 M C -2.427 173.783 176.300 -0.150 0.000 1.128 230 M CA -0.478 54.737 55.300 -0.142 0.000 0.942 230 M CB 1.961 34.469 32.600 -0.153 0.000 1.783 230 M HN -0.375 nan 8.290 nan 0.000 0.501 231 V N 4.293 124.091 119.914 -0.194 0.000 2.417 231 V HA 0.705 4.825 4.120 -0.000 0.000 0.291 231 V C -0.716 175.278 176.094 -0.167 0.000 1.024 231 V CA -0.717 61.497 62.300 -0.144 0.000 0.861 231 V CB 1.628 33.393 31.823 -0.097 0.000 0.985 231 V HN 0.691 nan 8.190 nan 0.000 0.436 232 V N 5.321 125.171 119.914 -0.107 0.000 2.378 232 V HA 0.393 4.513 4.120 -0.000 0.000 0.288 232 V C -0.135 175.934 176.094 -0.041 0.000 1.016 232 V CA -0.605 61.656 62.300 -0.064 0.000 0.840 232 V CB 1.959 33.756 31.823 -0.043 0.000 0.994 232 V HN 0.651 nan 8.190 nan 0.000 0.431 233 V N 3.866 123.768 119.914 -0.021 0.000 2.406 233 V HA 0.639 4.759 4.120 -0.000 0.000 0.272 233 V C 0.950 177.033 176.094 -0.020 0.000 1.043 233 V CA 0.077 62.364 62.300 -0.022 0.000 0.915 233 V CB 1.344 33.160 31.823 -0.012 0.000 0.988 233 V HN 0.989 nan 8.190 nan 0.000 0.466 234 G N 4.878 113.660 108.800 -0.030 0.000 4.713 234 G HA2 0.463 4.422 3.960 -0.000 0.000 0.318 234 G HA3 0.463 4.422 3.960 -0.000 0.000 0.318 234 G C 0.093 174.973 174.900 -0.034 0.000 1.435 234 G CA -0.247 44.834 45.100 -0.032 0.000 0.965 234 G HN 0.865 nan 8.290 nan 0.000 0.542 235 I N -0.846 119.707 120.570 -0.029 0.000 3.736 235 I HA 0.608 4.778 4.170 -0.000 0.000 0.338 235 I C 0.695 176.797 176.117 -0.026 0.000 1.558 235 I CA -0.264 61.020 61.300 -0.026 0.000 1.147 235 I CB 0.070 38.058 38.000 -0.021 0.000 1.275 235 I HN 0.440 nan 8.210 nan 0.000 0.454 236 G N 1.314 110.093 108.800 -0.034 0.000 2.661 236 G HA2 0.034 3.993 3.960 -0.000 0.000 0.685 236 G HA3 0.034 3.993 3.960 -0.000 0.000 0.685 236 G C -0.685 174.192 174.900 -0.038 0.000 1.298 236 G CA -0.428 44.648 45.100 -0.039 0.000 0.855 236 G HN 0.900 nan 8.290 nan 0.000 0.560 237 V N -2.284 117.603 119.914 -0.044 0.000 3.181 237 V HA 0.961 5.081 4.120 -0.000 0.000 0.314 237 V C 0.119 176.188 176.094 -0.041 0.000 1.173 237 V CA -1.293 60.981 62.300 -0.043 0.000 1.052 237 V CB 1.941 33.733 31.823 -0.052 0.000 1.123 237 V HN 1.227 nan 8.190 nan 0.000 0.454 238 L N 1.271 122.469 121.223 -0.041 0.000 2.431 238 L HA 0.808 5.147 4.340 -0.000 0.000 0.266 238 L C 0.315 177.155 176.870 -0.049 0.000 0.978 238 L CA -0.847 53.968 54.840 -0.042 0.000 0.822 238 L CB 1.911 43.950 42.059 -0.032 0.000 1.310 238 L HN 1.030 nan 8.230 nan 0.000 0.409 239 A N 2.042 124.826 122.820 -0.060 0.000 2.511 239 A HA 0.151 4.470 4.320 -0.000 0.000 0.242 239 A C 0.105 177.655 177.584 -0.056 0.000 1.069 239 A CA 0.009 52.004 52.037 -0.069 0.000 0.763 239 A CB -0.324 18.621 19.000 -0.092 0.000 1.001 239 A HN 0.876 nan 8.150 nan 0.000 0.498 240 N N 1.625 120.294 118.700 -0.053 0.000 3.124 240 N HA 0.150 4.890 4.740 -0.000 0.000 0.284 240 N C -0.497 174.992 175.510 -0.035 0.000 1.209 240 N CA -0.087 52.940 53.050 -0.038 0.000 1.149 240 N CB 0.429 38.895 38.487 -0.035 0.000 1.434 240 N HN 0.690 nan 8.380 nan 0.000 0.529 241 D N -0.033 120.345 120.400 -0.037 0.000 2.402 241 D HA 0.082 4.722 4.640 -0.000 0.000 0.216 241 D C 1.423 177.718 176.300 -0.010 0.000 1.128 241 D CA -0.331 53.652 54.000 -0.029 0.000 0.833 241 D CB -0.044 40.721 40.800 -0.057 0.000 0.971 241 D HN 0.231 nan 8.370 nan 0.000 0.503 242 A N 0.894 123.708 122.820 -0.010 0.000 1.903 242 A HA -0.212 4.107 4.320 -0.000 0.000 0.219 242 A C 2.004 179.584 177.584 -0.007 0.000 1.191 242 A CA 1.303 53.334 52.037 -0.010 0.000 0.638 242 A CB -0.725 18.270 19.000 -0.009 0.000 0.823 242 A HN 0.278 nan 8.150 nan 0.000 0.451 243 L N -0.745 120.494 121.223 0.027 0.000 2.046 243 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 243 L C 2.969 179.856 176.870 0.028 0.000 1.077 243 L CA 1.953 56.822 54.840 0.048 0.000 0.747 243 L CB -0.808 41.366 42.059 0.192 0.000 0.896 243 L HN 0.408 nan 8.230 nan 0.000 0.432 244 A N -1.260 121.626 122.820 0.110 0.000 1.968 244 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 244 A C 2.463 180.051 177.584 0.007 0.000 1.169 244 A CA 1.098 53.204 52.037 0.116 0.000 0.638 244 A CB -0.414 18.649 19.000 0.104 0.000 0.812 244 A HN 0.292 nan 8.150 nan 0.000 0.446 245 R N -0.692 119.800 120.500 -0.013 0.000 2.096 245 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 245 R C 2.304 178.570 176.300 -0.056 0.000 1.127 245 R CA 1.220 57.305 56.100 -0.025 0.000 0.968 245 R CB -0.277 30.009 30.300 -0.022 0.000 0.861 245 R HN 0.523 nan 8.270 nan 0.000 0.440 246 A N 0.280 123.044 122.820 -0.093 0.000 1.975 246 A HA 0.094 4.413 4.320 -0.000 0.000 0.215 246 A C 1.916 179.380 177.584 -0.199 0.000 1.170 246 A CA 1.080 53.040 52.037 -0.128 0.000 0.656 246 A CB -0.010 18.912 19.000 -0.131 0.000 0.821 246 A HN 0.324 nan 8.150 nan 0.000 0.449 247 A N -1.293 121.341 122.820 -0.310 0.000 2.276 247 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 247 A C 1.660 179.141 177.584 -0.172 0.000 1.230 247 A CA 1.014 52.804 52.037 -0.411 0.000 0.844 247 A CB -1.121 17.280 19.000 -0.998 0.000 0.860 247 A HN 1.768 nan 8.150 nan 0.000 0.486 248 G N -1.466 107.274 108.800 -0.100 0.000 2.148 248 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.254 248 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.254 248 G C 0.074 174.977 174.900 0.004 0.000 0.981 248 G CA 0.406 45.483 45.100 -0.039 0.000 0.670 248 G HN 0.381 nan 8.290 nan 0.000 0.528 249 L N 0.714 121.953 121.223 0.027 0.000 2.476 249 L HA 0.614 4.954 4.340 -0.000 0.000 0.264 249 L C 1.230 178.144 176.870 0.073 0.000 1.224 249 L CA 0.747 55.627 54.840 0.066 0.000 0.821 249 L CB 0.500 42.619 42.059 0.100 0.000 1.101 249 L HN 0.547 nan 8.230 nan 0.000 0.488 250 A N 1.345 124.233 122.820 0.114 0.000 2.309 250 A HA 0.573 4.893 4.320 -0.000 0.000 0.290 250 A C -0.375 177.374 177.584 0.275 0.000 1.206 250 A CA -0.248 51.906 52.037 0.195 0.000 0.850 250 A CB -0.458 18.667 19.000 0.208 0.000 1.118 250 A HN 0.861 nan 8.150 nan 0.000 0.523 251 C N 0.577 119.999 119.300 0.204 0.000 3.307 251 C HA 0.818 5.278 4.460 -0.000 0.000 0.333 251 C C -1.194 173.795 174.990 -0.001 0.000 1.291 251 C CA -0.764 58.224 59.018 -0.050 0.000 1.273 251 C CB 1.461 29.125 27.740 -0.128 0.000 1.580 251 C HN 0.806 nan 8.230 nan 0.000 0.481 252 D N 1.150 121.433 120.400 -0.194 0.000 2.472 252 D HA 0.339 4.979 4.640 -0.000 0.000 0.248 252 D C -0.315 175.917 176.300 -0.113 0.000 1.271 252 D CA 0.512 54.492 54.000 -0.034 0.000 0.888 252 D CB 0.352 41.253 40.800 0.168 0.000 1.337 252 D HN 1.008 nan 8.370 nan 0.000 0.526 253 D N 2.495 122.836 120.400 -0.098 0.000 2.705 253 D HA -0.003 4.637 4.640 -0.000 0.000 0.240 253 D C -0.135 176.076 176.300 -0.148 0.000 1.137 253 D CA 2.054 55.999 54.000 -0.091 0.000 0.677 253 D CB -1.131 39.638 40.800 -0.053 0.000 1.049 253 D HN 0.878 nan 8.370 nan 0.000 0.427 254 G N -0.312 108.367 108.800 -0.202 0.000 2.351 254 G HA2 0.236 4.195 3.960 -0.000 0.000 0.472 254 G HA3 0.236 4.195 3.960 -0.000 0.000 0.472 254 G C -0.449 174.219 174.900 -0.387 0.000 1.570 254 G CA -0.518 44.433 45.100 -0.248 0.000 0.921 254 G HN 0.435 nan 8.290 nan 0.000 0.674 255 I N 1.467 121.870 120.570 -0.279 0.000 2.371 255 I HA 0.345 4.514 4.170 -0.000 0.000 0.290 255 I C 0.201 176.186 176.117 -0.219 0.000 1.028 255 I CA -0.500 60.656 61.300 -0.241 0.000 1.345 255 I CB 0.686 38.627 38.000 -0.099 0.000 1.407 255 I HN 0.341 nan 8.210 nan 0.000 0.501 256 F N 6.586 126.587 119.950 0.085 0.000 2.504 256 F HA 0.341 4.868 4.527 -0.001 0.000 0.369 256 F C 0.517 176.407 175.800 0.150 0.000 1.082 256 F CA -0.320 57.789 58.000 0.181 0.000 1.216 256 F CB 0.678 39.767 39.000 0.147 0.000 1.108 256 F HN 0.207 nan 8.300 nan 0.000 0.554 257 V N -0.271 119.864 119.914 0.369 0.000 3.078 257 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 257 V C -1.007 175.229 176.094 0.236 0.000 1.138 257 V CA -1.189 61.235 62.300 0.206 0.000 1.007 257 V CB 1.940 33.807 31.823 0.072 0.000 1.045 257 V HN 0.607 nan 8.190 nan 0.000 0.432 258 D N 1.838 122.325 120.400 0.145 0.000 2.529 258 D HA 0.638 5.277 4.640 -0.000 0.000 0.273 258 D C 1.186 177.478 176.300 -0.013 0.000 1.197 258 D CA -0.161 53.894 54.000 0.091 0.000 1.070 258 D CB 1.121 41.927 40.800 0.011 0.000 1.134 258 D HN 0.866 nan 8.370 nan 0.000 0.590 259 A N -1.165 121.568 122.820 -0.145 0.000 2.186 259 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 259 A C 1.259 178.800 177.584 -0.071 0.000 1.159 259 A CA 0.985 52.935 52.037 -0.145 0.000 0.680 259 A CB -1.169 17.669 19.000 -0.271 0.000 0.787 259 A HN 0.629 nan 8.150 nan 0.000 0.467 260 Y N -1.752 118.541 120.300 -0.012 0.000 2.458 260 Y HA 0.339 4.889 4.550 -0.000 0.000 0.256 260 Y C 1.781 177.759 175.900 0.131 0.000 1.159 260 Y CA -0.036 58.032 58.100 -0.052 0.000 1.261 260 Y CB 0.440 38.806 38.460 -0.156 0.000 1.119 260 Y HN 0.441 nan 8.280 nan 0.000 0.524 261 G N 1.565 110.494 108.800 0.216 0.000 2.143 261 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.248 261 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.248 261 G C 0.098 175.086 174.900 0.147 0.000 0.991 261 G CA -0.312 44.897 45.100 0.182 0.000 0.689 261 G HN 0.314 nan 8.290 nan 0.000 0.522 262 R N 1.180 121.708 120.500 0.047 0.000 2.389 262 R HA 0.513 4.852 4.340 -0.000 0.000 0.295 262 R C 1.358 177.588 176.300 -0.117 0.000 1.075 262 R CA 0.701 56.665 56.100 -0.227 0.000 1.005 262 R CB 0.581 30.805 30.300 -0.128 0.000 0.987 262 R HN 0.415 nan 8.270 nan 0.000 0.452 263 T N -1.531 112.918 114.554 -0.176 0.000 2.862 263 T HA 0.084 4.434 4.350 -0.000 0.000 0.276 263 T C 1.431 176.112 174.700 -0.032 0.000 0.974 263 T CA -0.318 61.755 62.100 -0.044 0.000 0.966 263 T CB 1.419 70.266 68.868 -0.035 0.000 1.072 263 T HN 0.660 nan 8.240 nan 0.000 0.538 264 T N -2.279 112.290 114.554 0.025 0.000 3.163 264 T HA 0.042 4.391 4.350 -0.000 0.000 0.260 264 T C 0.835 175.542 174.700 0.011 0.000 1.156 264 T CA -0.140 61.970 62.100 0.018 0.000 1.072 264 T CB -1.146 67.743 68.868 0.035 0.000 0.937 264 T HN 0.709 nan 8.240 nan 0.000 0.528 265 C N 4.412 123.718 119.300 0.011 0.000 2.281 265 C HA 0.569 5.028 4.460 -0.000 0.000 0.325 265 C C -2.405 172.589 174.990 0.005 0.000 1.282 265 C CA -2.877 56.160 59.018 0.032 0.000 1.640 265 C CB 0.543 28.337 27.740 0.090 0.000 2.288 265 C HN 0.330 nan 8.230 nan 0.000 0.507 266 P HA 0.152 nan 4.420 nan 0.000 0.265 266 P C 0.017 177.382 177.300 0.108 0.000 1.193 266 P CA 1.163 64.288 63.100 0.042 0.000 0.765 266 P CB 0.422 32.166 31.700 0.072 0.000 0.823 267 D N -0.471 119.997 120.400 0.115 0.000 3.028 267 D HA -0.113 4.527 4.640 -0.000 0.000 0.207 267 D C -0.475 175.964 176.300 0.232 0.000 1.100 267 D CA 0.847 55.010 54.000 0.271 0.000 0.995 267 D CB -1.324 39.729 40.800 0.422 0.000 1.108 267 D HN 0.176 nan 8.370 nan 0.000 0.421 268 V N 1.329 121.250 119.914 0.012 0.000 2.444 268 V HA 0.485 4.605 4.120 -0.000 0.000 0.294 268 V C -0.138 175.832 176.094 -0.206 0.000 1.022 268 V CA -0.713 61.541 62.300 -0.077 0.000 0.850 268 V CB 1.486 33.249 31.823 -0.099 0.000 0.992 268 V HN -0.047 nan 8.190 nan 0.000 0.426 269 Y N 2.129 122.334 120.300 -0.159 0.000 2.602 269 Y HA 0.888 5.438 4.550 -0.001 0.000 0.330 269 Y C 0.380 176.156 175.900 -0.207 0.000 1.114 269 Y CA -0.809 57.203 58.100 -0.147 0.000 1.182 269 Y CB 2.151 40.512 38.460 -0.166 0.000 1.305 269 Y HN 0.735 nan 8.280 nan 0.000 0.502 270 A N 1.478 124.283 122.820 -0.025 0.000 2.547 270 A HA 0.882 5.202 4.320 -0.000 0.000 0.297 270 A C -1.961 175.546 177.584 -0.128 0.000 1.056 270 A CA -0.635 51.336 52.037 -0.111 0.000 0.688 270 A CB 1.106 20.053 19.000 -0.089 0.000 1.282 270 A HN 0.702 nan 8.150 nan 0.000 0.400 271 L N -0.554 120.561 121.223 -0.180 0.000 2.600 271 L HA 1.030 5.370 4.340 -0.000 0.000 0.257 271 L C 0.530 177.295 176.870 -0.175 0.000 1.048 271 L CA -0.012 54.716 54.840 -0.187 0.000 0.869 271 L CB 0.977 42.897 42.059 -0.232 0.000 1.482 271 L HN 2.458 nan 8.230 nan 0.000 0.408 272 G N 0.117 108.811 108.800 -0.176 0.000 2.568 272 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.222 272 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.222 272 G C -0.053 174.766 174.900 -0.135 0.000 1.321 272 G CA 0.429 45.434 45.100 -0.158 0.000 0.893 272 G HN 0.822 nan 8.290 nan 0.000 0.569 273 D N -0.669 119.657 120.400 -0.123 0.000 2.218 273 D HA -0.011 4.629 4.640 -0.000 0.000 0.204 273 D C 2.390 178.626 176.300 -0.107 0.000 0.976 273 D CA 1.328 55.262 54.000 -0.110 0.000 0.853 273 D CB -0.077 40.663 40.800 -0.100 0.000 0.939 273 D HN 0.535 nan 8.370 nan 0.000 0.481 274 V N 0.392 120.241 119.914 -0.109 0.000 3.444 274 V HA -0.017 4.103 4.120 -0.000 0.000 0.271 274 V C 0.644 176.665 176.094 -0.122 0.000 1.188 274 V CA 1.228 63.464 62.300 -0.107 0.000 1.168 274 V CB -0.637 31.127 31.823 -0.098 0.000 0.810 274 V HN 0.299 nan 8.190 nan 0.000 0.500 275 T N -0.835 113.644 114.554 -0.125 0.000 2.912 275 T HA 0.557 4.907 4.350 -0.000 0.000 0.288 275 T C -0.422 174.198 174.700 -0.134 0.000 1.030 275 T CA -0.922 61.098 62.100 -0.133 0.000 1.020 275 T CB 1.755 70.557 68.868 -0.110 0.000 1.056 275 T HN 0.335 nan 8.240 nan 0.000 0.480 276 R N 2.431 122.845 120.500 -0.145 0.000 2.265 276 R HA 0.448 4.788 4.340 -0.000 0.000 0.328 276 R C 0.022 176.256 176.300 -0.111 0.000 0.969 276 R CA -0.675 55.374 56.100 -0.085 0.000 0.832 276 R CB 1.575 31.834 30.300 -0.069 0.000 1.139 276 R HN 0.854 nan 8.270 nan 0.000 0.457 277 Q N 1.768 121.355 119.800 -0.356 0.000 2.633 277 Q HA 0.469 4.809 4.340 -0.000 0.000 0.292 277 Q C -0.760 174.578 176.000 -1.103 0.000 1.089 277 Q CA -1.220 54.119 55.803 -0.773 0.000 0.811 277 Q CB 1.764 30.314 28.738 -0.315 0.000 1.472 277 Q HN 0.351 nan 8.270 nan 0.000 0.464 278 R N 1.195 121.053 120.500 -1.070 0.000 2.340 278 R HA 0.163 4.503 4.340 -0.000 0.000 0.300 278 R C -0.776 175.408 176.300 -0.194 0.000 1.069 278 R CA -0.331 55.462 56.100 -0.513 0.000 0.984 278 R CB 0.588 30.800 30.300 -0.146 0.000 1.003 278 R HN 0.622 nan 8.270 nan 0.000 0.459 279 N N 6.213 124.865 118.700 -0.081 0.000 2.437 279 N HA 0.120 4.860 4.740 -0.000 0.000 0.243 279 N C -1.867 173.635 175.510 -0.014 0.000 1.041 279 N CA -2.241 50.790 53.050 -0.031 0.000 0.940 279 N CB 1.438 39.930 38.487 0.008 0.000 1.133 279 N HN 0.457 nan 8.380 nan 0.000 0.506 280 P HA -0.129 nan 4.420 nan 0.000 0.223 280 P C 1.205 178.503 177.300 -0.003 0.000 1.144 280 P CA 0.987 64.070 63.100 -0.027 0.000 0.783 280 P CB 0.544 32.206 31.700 -0.062 0.000 0.771 281 L N -0.486 120.743 121.223 0.009 0.000 2.249 281 L HA 0.021 4.361 4.340 -0.000 0.000 0.207 281 L C 2.382 179.271 176.870 0.030 0.000 1.090 281 L CA 1.668 56.521 54.840 0.022 0.000 0.802 281 L CB -0.610 41.470 42.059 0.035 0.000 0.947 281 L HN 0.097 nan 8.230 nan 0.000 0.453 282 S N -1.249 114.473 115.700 0.036 0.000 2.524 282 S HA 0.159 4.629 4.470 -0.000 0.000 0.215 282 S C 1.567 176.197 174.600 0.049 0.000 0.986 282 S CA 0.401 58.627 58.200 0.043 0.000 0.911 282 S CB 0.697 63.928 63.200 0.050 0.000 0.805 282 S HN 0.456 nan 8.310 nan 0.000 0.501 283 G N 2.155 110.984 108.800 0.049 0.000 2.186 283 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.266 283 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.266 283 G C 0.116 175.081 174.900 0.108 0.000 0.982 283 G CA 0.543 45.682 45.100 0.065 0.000 0.670 283 G HN 0.588 nan 8.290 nan 0.000 0.533 284 R N -0.810 119.758 120.500 0.114 0.000 2.643 284 R HA 0.665 5.005 4.340 -0.000 0.000 0.272 284 R C -0.485 175.957 176.300 0.237 0.000 0.995 284 R CA -1.236 54.964 56.100 0.167 0.000 1.032 284 R CB 0.516 30.887 30.300 0.118 0.000 1.126 284 R HN 0.035 nan 8.270 nan 0.000 0.505 285 F N 1.439 121.422 119.950 0.055 0.000 2.396 285 F HA 0.245 4.771 4.527 -0.000 0.000 0.343 285 F C 0.390 176.246 175.800 0.094 0.000 1.104 285 F CA 0.140 58.195 58.000 0.092 0.000 1.161 285 F CB 0.854 39.938 39.000 0.140 0.000 1.146 285 F HN 0.479 nan 8.300 nan 0.000 0.522 286 E N 1.481 121.730 120.200 0.082 0.000 2.429 286 E HA 0.305 4.655 4.350 -0.000 0.000 0.280 286 E C -1.380 175.208 176.600 -0.019 0.000 1.068 286 E CA -1.284 55.151 56.400 0.058 0.000 0.837 286 E CB 1.338 31.063 29.700 0.042 0.000 1.357 286 E HN 0.398 nan 8.360 nan 0.000 0.455 287 R N 1.753 122.240 120.500 -0.023 0.000 2.196 287 R HA 0.341 4.681 4.340 -0.000 0.000 0.340 287 R C -0.847 175.418 176.300 -0.058 0.000 1.043 287 R CA -0.309 55.756 56.100 -0.058 0.000 0.883 287 R CB 0.207 30.468 30.300 -0.065 0.000 1.078 287 R HN 0.529 nan 8.270 nan 0.000 0.462 288 I N 5.545 126.077 120.570 -0.063 0.000 2.287 288 I HA 0.092 4.262 4.170 -0.000 0.000 0.290 288 I C 0.169 176.238 176.117 -0.079 0.000 1.069 288 I CA -0.117 61.151 61.300 -0.053 0.000 1.237 288 I CB 1.217 39.208 38.000 -0.015 0.000 1.418 288 I HN 0.564 nan 8.210 nan 0.000 0.481 289 E N 4.550 124.686 120.200 -0.106 0.000 2.364 289 E HA 0.124 4.474 4.350 -0.000 0.000 0.270 289 E C -0.015 176.497 176.600 -0.147 0.000 1.398 289 E CA -0.408 55.918 56.400 -0.124 0.000 1.721 289 E CB -0.024 29.600 29.700 -0.127 0.000 1.525 289 E HN 0.607 nan 8.360 nan 0.000 0.446 290 T N -3.933 110.547 114.554 -0.124 0.000 2.912 290 T HA 0.144 4.494 4.350 -0.000 0.000 0.288 290 T C 0.358 175.038 174.700 -0.033 0.000 1.030 290 T CA -0.968 61.064 62.100 -0.112 0.000 1.020 290 T CB 1.534 70.333 68.868 -0.116 0.000 1.056 290 T HN 0.426 nan 8.240 nan 0.000 0.480 291 W N 2.284 123.488 121.300 -0.160 0.000 2.304 291 W HA -0.240 4.420 4.660 -0.000 0.000 0.315 291 W C 2.564 179.066 176.519 -0.028 0.000 1.233 291 W CA 2.987 60.314 57.345 -0.029 0.000 1.261 291 W CB -0.475 29.081 29.460 0.160 0.000 1.150 291 W HN 0.902 nan 8.180 nan 0.000 0.494 292 S N -0.438 115.379 115.700 0.195 0.000 2.383 292 S HA -0.313 4.157 4.470 -0.000 0.000 0.229 292 S C 1.628 176.194 174.600 -0.057 0.000 1.030 292 S CA 1.616 59.823 58.200 0.011 0.000 1.002 292 S CB -1.155 61.737 63.200 -0.514 0.000 0.829 292 S HN 0.555 nan 8.310 nan 0.000 0.467 293 N N 2.151 120.808 118.700 -0.072 0.000 2.142 293 N HA 0.055 4.795 4.740 -0.000 0.000 0.186 293 N C 1.872 177.278 175.510 -0.173 0.000 1.023 293 N CA 1.295 54.318 53.050 -0.045 0.000 0.852 293 N CB -0.679 37.793 38.487 -0.025 0.000 0.998 293 N HN 0.483 nan 8.380 nan 0.000 0.424 294 A N 0.314 123.009 122.820 -0.208 0.000 1.892 294 A HA -0.259 4.060 4.320 -0.000 0.000 0.218 294 A C 2.180 179.592 177.584 -0.287 0.000 1.188 294 A CA 1.758 53.644 52.037 -0.251 0.000 0.631 294 A CB -0.906 17.928 19.000 -0.276 0.000 0.822 294 A HN 0.568 nan 8.150 nan 0.000 0.447 295 Q N -0.912 118.659 119.800 -0.382 0.000 2.033 295 Q HA -0.164 4.176 4.340 -0.000 0.000 0.196 295 Q C 1.908 177.806 176.000 -0.171 0.000 0.970 295 Q CA 1.411 57.012 55.803 -0.336 0.000 0.828 295 Q CB -0.157 28.247 28.738 -0.557 0.000 0.895 295 Q HN 0.648 nan 8.270 nan 0.000 0.440 296 N N 0.716 119.356 118.700 -0.100 0.000 2.104 296 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 296 N C 1.584 176.983 175.510 -0.185 0.000 1.024 296 N CA 1.333 54.398 53.050 0.024 0.000 0.853 296 N CB -0.342 38.305 38.487 0.267 0.000 1.008 296 N HN 0.352 nan 8.380 nan 0.000 0.424 297 Q N 0.184 119.662 119.800 -0.537 0.000 2.119 297 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 297 Q C 1.919 177.702 176.000 -0.362 0.000 0.972 297 Q CA 1.469 56.718 55.803 -0.922 0.000 0.847 297 Q CB -0.284 27.913 28.738 -0.903 0.000 0.903 297 Q HN 0.382 nan 8.270 nan 0.000 0.433 298 G N 1.332 110.013 108.800 -0.199 0.000 2.459 298 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 298 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 298 G C 1.408 176.364 174.900 0.094 0.000 1.183 298 G CA 1.002 46.097 45.100 -0.008 0.000 0.776 298 G HN 0.360 nan 8.290 nan 0.000 0.552 299 I N 1.514 122.095 120.570 0.017 0.000 2.163 299 I HA -0.224 3.945 4.170 -0.000 0.000 0.243 299 I C 3.334 179.488 176.117 0.061 0.000 1.085 299 I CA 1.075 62.393 61.300 0.030 0.000 1.347 299 I CB -0.291 37.726 38.000 0.028 0.000 1.044 299 I HN 0.260 nan 8.210 nan 0.000 0.408 300 A N 0.542 123.399 122.820 0.063 0.000 1.859 300 A HA -0.200 4.119 4.320 -0.000 0.000 0.217 300 A C 2.406 180.083 177.584 0.154 0.000 1.198 300 A CA 2.307 54.427 52.037 0.139 0.000 0.629 300 A CB -1.173 17.954 19.000 0.212 0.000 0.830 300 A HN 0.248 nan 8.150 nan 0.000 0.446 301 V N -0.147 119.839 119.914 0.119 0.000 2.392 301 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 301 V C 2.998 179.214 176.094 0.203 0.000 1.059 301 V CA 2.002 64.404 62.300 0.169 0.000 1.051 301 V CB -1.376 30.507 31.823 0.100 0.000 0.658 301 V HN 0.646 nan 8.190 nan 0.000 0.455 302 A N 0.259 123.209 122.820 0.217 0.000 1.898 302 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 302 A C 2.333 179.887 177.584 -0.051 0.000 1.181 302 A CA 1.926 53.965 52.037 0.003 0.000 0.620 302 A CB -0.516 18.305 19.000 -0.299 0.000 0.819 302 A HN 0.446 nan 8.150 nan 0.000 0.442 303 R N -0.864 119.645 120.500 0.013 0.000 2.105 303 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 303 R C 2.002 178.314 176.300 0.021 0.000 1.135 303 R CA 2.180 58.289 56.100 0.016 0.000 0.967 303 R CB -0.667 29.670 30.300 0.062 0.000 0.861 303 R HN 0.783 nan 8.270 nan 0.000 0.442 304 H N -0.972 118.091 119.070 -0.012 0.000 2.482 304 H HA 0.134 4.690 4.556 -0.000 0.000 0.286 304 H C 1.664 176.928 175.328 -0.107 0.000 1.017 304 H CA 1.188 57.205 56.048 -0.052 0.000 1.322 304 H CB 0.125 29.872 29.762 -0.025 0.000 1.426 304 H HN 0.164 nan 8.280 nan 0.000 0.546 305 L N -0.503 120.675 121.223 -0.075 0.000 2.056 305 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 305 L C 2.122 178.866 176.870 -0.210 0.000 1.078 305 L CA 0.896 55.633 54.840 -0.172 0.000 0.749 305 L CB -0.096 41.836 42.059 -0.213 0.000 0.901 305 L HN 0.237 nan 8.230 nan 0.000 0.433 306 V N -1.108 118.698 119.914 -0.181 0.000 2.548 306 V HA -0.150 3.969 4.120 -0.000 0.000 0.249 306 V C 0.226 176.240 176.094 -0.133 0.000 1.055 306 V CA 1.274 63.491 62.300 -0.140 0.000 1.065 306 V CB -0.354 31.409 31.823 -0.099 0.000 0.681 306 V HN 0.428 nan 8.190 nan 0.000 0.462 307 D N -1.314 118.978 120.400 -0.180 0.000 2.330 307 D HA 0.282 4.922 4.640 -0.000 0.000 0.249 307 D C -2.143 173.957 176.300 -0.334 0.000 1.306 307 D CA -1.732 52.157 54.000 -0.184 0.000 0.956 307 D CB 1.815 42.554 40.800 -0.102 0.000 1.261 307 D HN -0.035 nan 8.370 nan 0.000 0.544 308 P HA -0.121 nan 4.420 nan 0.000 0.220 308 P C 1.293 178.397 177.300 -0.327 0.000 1.144 308 P CA 0.938 63.639 63.100 -0.666 0.000 0.800 308 P CB 0.313 31.801 31.700 -0.354 0.000 0.772 309 T N -1.101 113.355 114.554 -0.162 0.000 2.915 309 T HA 0.025 4.375 4.350 -0.000 0.000 0.269 309 T C 0.967 175.678 174.700 0.019 0.000 1.071 309 T CA 0.702 62.777 62.100 -0.042 0.000 1.132 309 T CB -0.565 68.285 68.868 -0.030 0.000 0.878 309 T HN 0.095 nan 8.240 nan 0.000 0.479 310 A N 2.873 125.696 122.820 0.006 0.000 2.407 310 A HA 0.460 4.780 4.320 -0.000 0.000 0.248 310 A C -2.037 175.708 177.584 0.269 0.000 1.082 310 A CA -1.329 50.772 52.037 0.108 0.000 0.785 310 A CB 0.098 19.148 19.000 0.085 0.000 1.020 310 A HN 0.203 nan 8.150 nan 0.000 0.489 311 P HA 0.215 nan 4.420 nan 0.000 0.272 311 P C 0.481 177.990 177.300 0.348 0.000 1.240 311 P CA 0.151 63.414 63.100 0.272 0.000 0.791 311 P CB 0.497 32.297 31.700 0.167 0.000 0.978 312 G N -0.054 108.958 108.800 0.352 0.000 2.616 312 G HA2 0.168 4.128 3.960 -0.000 0.000 0.268 312 G HA3 0.168 4.128 3.960 -0.000 0.000 0.268 312 G C -0.957 174.072 174.900 0.214 0.000 1.213 312 G CA -0.697 44.574 45.100 0.284 0.000 0.926 312 G HN 0.540 nan 8.290 nan 0.000 0.523 313 Y N -0.015 120.320 120.300 0.059 0.000 2.712 313 Y HA 0.252 4.802 4.550 -0.000 0.000 0.333 313 Y C 1.023 176.933 175.900 0.016 0.000 1.225 313 Y CA 0.483 58.608 58.100 0.042 0.000 1.499 313 Y CB 0.790 39.263 38.460 0.021 0.000 1.288 313 Y HN 0.442 nan 8.280 nan 0.000 0.575 314 A N 3.991 126.571 122.820 -0.400 0.000 2.664 314 A HA 0.145 4.465 4.320 -0.000 0.000 0.222 314 A C 0.082 177.391 177.584 -0.458 0.000 1.320 314 A CA -0.348 51.466 52.037 -0.370 0.000 1.029 314 A CB 0.046 18.970 19.000 -0.128 0.000 1.318 314 A HN 0.680 nan 8.150 nan 0.000 0.589 315 E N 0.599 120.419 120.200 -0.634 0.000 2.534 315 E HA 0.080 4.430 4.350 -0.000 0.000 0.264 315 E C -0.553 175.906 176.600 -0.235 0.000 0.981 315 E CA 0.568 56.797 56.400 -0.286 0.000 0.948 315 E CB 0.534 30.229 29.700 -0.010 0.000 0.934 315 E HN 0.465 nan 8.360 nan 0.000 0.459 316 L N 4.780 125.992 121.223 -0.018 0.000 2.357 316 L HA 0.305 4.645 4.340 -0.000 0.000 0.273 316 L C -1.770 175.217 176.870 0.196 0.000 1.080 316 L CA -1.958 52.908 54.840 0.043 0.000 0.803 316 L CB 0.976 43.063 42.059 0.047 0.000 1.174 316 L HN 0.290 nan 8.230 nan 0.000 0.443 317 P HA 0.103 nan 4.420 nan 0.000 0.272 317 P C -1.255 176.301 177.300 0.427 0.000 1.223 317 P CA -0.098 63.147 63.100 0.242 0.000 0.784 317 P CB 0.712 32.512 31.700 0.166 0.000 0.923 318 W N 2.054 123.530 121.300 0.294 0.000 3.079 318 W HA 0.483 5.143 4.660 -0.000 0.000 0.329 318 W C -2.684 174.134 176.519 0.497 0.000 1.181 318 W CA -1.013 56.544 57.345 0.353 0.000 1.160 318 W CB -0.025 29.616 29.460 0.301 0.000 1.423 318 W HN 0.659 nan 8.180 nan 0.000 0.566 319 Y N -0.365 120.240 120.300 0.508 0.000 2.732 319 Y HA 0.669 5.219 4.550 -0.000 0.000 0.342 319 Y C -1.645 174.518 175.900 0.437 0.000 1.203 319 Y CA -1.978 56.232 58.100 0.183 0.000 1.092 319 Y CB 0.346 38.739 38.460 -0.112 0.000 1.345 319 Y HN 0.800 nan 8.280 nan 0.000 0.458 320 W N 0.844 122.228 121.300 0.141 0.000 2.804 320 W HA 0.889 5.549 4.660 -0.000 0.000 0.352 320 W C -1.328 175.255 176.519 0.105 0.000 1.153 320 W CA -0.970 56.368 57.345 -0.011 0.000 1.119 320 W CB 1.777 31.248 29.460 0.018 0.000 1.448 320 W HN 0.834 nan 8.180 nan 0.000 0.600 321 S N 1.268 116.956 115.700 -0.020 0.000 2.652 321 S HA 0.196 4.666 4.470 -0.000 0.000 0.273 321 S C -1.962 172.680 174.600 0.069 0.000 1.172 321 S CA -0.645 57.509 58.200 -0.077 0.000 1.009 321 S CB 0.455 63.669 63.200 0.023 0.000 1.094 321 S HN 0.457 nan 8.310 nan 0.000 0.471 322 D N 4.049 124.514 120.400 0.109 0.000 2.396 322 D HA 0.287 4.926 4.640 -0.000 0.000 0.225 322 D C -0.365 175.982 176.300 0.079 0.000 1.121 322 D CA 0.039 54.108 54.000 0.116 0.000 0.853 322 D CB 1.274 42.175 40.800 0.168 0.000 1.043 322 D HN 0.558 nan 8.370 nan 0.000 0.500 323 Q N 1.516 121.344 119.800 0.047 0.000 2.523 323 Q HA 0.461 4.801 4.340 -0.000 0.000 0.251 323 Q C 0.970 176.995 176.000 0.042 0.000 1.033 323 Q CA -0.772 55.085 55.803 0.090 0.000 0.746 323 Q CB 1.728 30.540 28.738 0.124 0.000 1.189 323 Q HN 0.655 nan 8.270 nan 0.000 0.508 324 G N 2.338 111.203 108.800 0.108 0.000 2.629 324 G HA2 -0.466 3.494 3.960 -0.000 0.000 0.313 324 G HA3 -0.466 3.494 3.960 -0.000 0.000 0.313 324 G C 0.757 175.682 174.900 0.042 0.000 1.217 324 G CA 0.345 45.522 45.100 0.128 0.000 0.994 324 G HN 0.704 nan 8.290 nan 0.000 0.549 325 A N -0.084 122.761 122.820 0.041 0.000 2.238 325 A HA 0.578 4.898 4.320 -0.000 0.000 0.208 325 A C 1.139 178.606 177.584 -0.195 0.000 1.177 325 A CA 0.818 52.835 52.037 -0.033 0.000 0.804 325 A CB -0.222 18.829 19.000 0.084 0.000 0.823 325 A HN 0.680 nan 8.150 nan 0.000 0.482 326 L N 0.631 121.646 121.223 -0.347 0.000 2.262 326 L HA 0.406 4.746 4.340 -0.000 0.000 0.288 326 L C 0.213 176.984 176.870 -0.165 0.000 1.035 326 L CA -0.578 54.064 54.840 -0.330 0.000 0.820 326 L CB 1.138 42.877 42.059 -0.533 0.000 1.204 326 L HN 0.251 nan 8.230 nan 0.000 0.424 327 R N 4.869 125.289 120.500 -0.132 0.000 2.391 327 R HA 0.489 4.829 4.340 -0.000 0.000 0.310 327 R C -0.714 175.508 176.300 -0.130 0.000 1.174 327 R CA -0.128 55.920 56.100 -0.087 0.000 1.118 327 R CB 0.059 30.309 30.300 -0.085 0.000 1.134 327 R HN 0.541 nan 8.270 nan 0.000 0.524 328 I N 3.379 123.891 120.570 -0.097 0.000 2.488 328 I HA 0.295 4.465 4.170 -0.000 0.000 0.299 328 I C -0.110 175.893 176.117 -0.189 0.000 0.984 328 I CA -0.857 60.354 61.300 -0.149 0.000 1.250 328 I CB 1.814 39.762 38.000 -0.087 0.000 1.389 328 I HN 0.533 nan 8.210 nan 0.000 0.488 329 Q N 4.536 124.120 119.800 -0.360 0.000 2.269 329 Q HA 0.528 4.868 4.340 -0.000 0.000 0.263 329 Q C -1.561 174.149 176.000 -0.484 0.000 0.983 329 Q CA -0.509 54.920 55.803 -0.624 0.000 0.777 329 Q CB 3.117 30.988 28.738 -1.445 0.000 1.273 329 Q HN 0.391 nan 8.270 nan 0.000 0.440 330 V N 1.367 121.049 119.914 -0.385 0.000 2.487 330 V HA 0.911 5.031 4.120 -0.000 0.000 0.298 330 V C -0.629 175.575 176.094 0.184 0.000 1.028 330 V CA -0.569 61.642 62.300 -0.149 0.000 0.860 330 V CB 1.540 33.151 31.823 -0.352 0.000 0.991 330 V HN 0.836 nan 8.190 nan 0.000 0.427 331 A N 3.291 126.330 122.820 0.365 0.000 2.423 331 A HA 1.005 5.324 4.320 -0.000 0.000 0.304 331 A C 0.505 178.224 177.584 0.226 0.000 1.104 331 A CA 0.076 52.331 52.037 0.364 0.000 0.757 331 A CB 1.456 20.574 19.000 0.197 0.000 1.313 331 A HN 2.096 nan 8.150 nan 0.000 0.423 332 G N -0.393 108.534 108.800 0.211 0.000 2.564 332 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.273 332 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.273 332 G C 0.015 175.003 174.900 0.146 0.000 1.242 332 G CA 0.209 45.396 45.100 0.145 0.000 0.951 332 G HN 1.238 nan 8.290 nan 0.000 0.564 333 L N 0.470 121.759 121.223 0.109 0.000 2.439 333 L HA 0.564 4.903 4.340 -0.000 0.000 0.259 333 L C 2.005 178.939 176.870 0.108 0.000 1.129 333 L CA -0.116 54.786 54.840 0.102 0.000 0.803 333 L CB 1.234 43.338 42.059 0.075 0.000 1.161 333 L HN 0.945 nan 8.230 nan 0.000 0.462 334 A N 0.545 123.428 122.820 0.105 0.000 2.178 334 A HA 0.145 4.465 4.320 -0.000 0.000 0.211 334 A C 0.849 178.482 177.584 0.081 0.000 1.157 334 A CA 0.797 52.897 52.037 0.104 0.000 0.780 334 A CB -0.132 18.933 19.000 0.109 0.000 0.828 334 A HN 0.782 nan 8.150 nan 0.000 0.476 335 S N -3.771 111.970 115.700 0.068 0.000 2.776 335 S HA 0.849 5.318 4.470 -0.000 0.000 0.292 335 S C 0.026 174.654 174.600 0.046 0.000 1.187 335 S CA -0.058 58.174 58.200 0.054 0.000 0.834 335 S CB 1.149 64.378 63.200 0.047 0.000 1.199 335 S HN 1.464 nan 8.310 nan 0.000 0.514 336 G N 0.209 109.031 108.800 0.037 0.000 2.586 336 G HA2 0.314 4.273 3.960 -0.000 0.000 0.105 336 G HA3 0.314 4.273 3.960 -0.000 0.000 0.105 336 G C -0.616 174.298 174.900 0.024 0.000 1.129 336 G CA 0.259 45.378 45.100 0.031 0.000 1.127 336 G HN 0.587 nan 8.290 nan 0.000 0.532 337 D N 0.705 121.117 120.400 0.021 0.000 2.120 337 D HA 0.228 4.868 4.640 -0.000 0.000 0.202 337 D C 0.948 177.256 176.300 0.015 0.000 0.972 337 D CA 1.745 55.755 54.000 0.016 0.000 0.837 337 D CB 0.294 41.102 40.800 0.014 0.000 0.989 337 D HN 0.627 nan 8.370 nan 0.000 0.469 338 E N -1.498 118.712 120.200 0.016 0.000 2.447 338 E HA 0.391 4.741 4.350 -0.000 0.000 0.279 338 E C -1.205 175.406 176.600 0.019 0.000 1.053 338 E CA -1.027 55.381 56.400 0.014 0.000 0.840 338 E CB 1.469 31.175 29.700 0.010 0.000 1.409 338 E HN -0.081 nan 8.360 nan 0.000 0.461 339 E N 1.298 121.508 120.200 0.016 0.000 2.263 339 E HA 0.437 4.786 4.350 -0.000 0.000 0.268 339 E C -1.439 175.169 176.600 0.013 0.000 0.884 339 E CA -0.763 55.649 56.400 0.021 0.000 0.766 339 E CB 1.442 31.157 29.700 0.026 0.000 1.196 339 E HN 0.536 nan 8.360 nan 0.000 0.416 340 I N 3.852 124.432 120.570 0.017 0.000 2.359 340 I HA 0.246 4.416 4.170 -0.000 0.000 0.294 340 I C -0.563 175.563 176.117 0.015 0.000 0.987 340 I CA -0.968 60.338 61.300 0.011 0.000 1.225 340 I CB 1.862 39.869 38.000 0.012 0.000 1.366 340 I HN 0.369 nan 8.210 nan 0.000 0.466 341 V N 7.333 127.246 119.914 -0.002 0.000 2.293 341 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 341 V C 0.210 176.304 176.094 0.000 0.000 1.021 341 V CA -0.658 61.637 62.300 -0.008 0.000 0.815 341 V CB 0.706 32.486 31.823 -0.071 0.000 1.025 341 V HN 0.604 nan 8.190 nan 0.000 0.448 342 R N 4.148 124.670 120.500 0.037 0.000 2.248 342 R HA 0.577 4.916 4.340 -0.000 0.000 0.337 342 R C 0.748 177.082 176.300 0.056 0.000 1.085 342 R CA 0.487 56.610 56.100 0.038 0.000 0.934 342 R CB 0.826 31.152 30.300 0.043 0.000 1.034 342 R HN 0.982 nan 8.270 nan 0.000 0.465 343 G N 2.033 110.847 108.800 0.024 0.000 2.498 343 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.651 343 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.651 343 G C -1.135 173.751 174.900 -0.024 0.000 1.284 343 G CA -0.909 44.209 45.100 0.031 0.000 0.950 343 G HN 0.518 nan 8.290 nan 0.000 0.511 344 E N -1.342 118.842 120.200 -0.026 0.000 2.202 344 E HA 0.538 4.888 4.350 -0.000 0.000 0.272 344 E C -0.338 176.128 176.600 -0.223 0.000 0.951 344 E CA -0.787 55.550 56.400 -0.106 0.000 0.813 344 E CB 1.993 31.663 29.700 -0.051 0.000 1.151 344 E HN 0.409 nan 8.360 nan 0.000 0.398 345 V N 3.600 123.270 119.914 -0.406 0.000 2.247 345 V HA 0.187 4.306 4.120 -0.000 0.000 0.262 345 V C -0.164 175.754 176.094 -0.294 0.000 1.096 345 V CA -0.220 61.656 62.300 -0.705 0.000 0.895 345 V CB 0.066 31.336 31.823 -0.920 0.000 1.141 345 V HN 0.573 nan 8.190 nan 0.000 0.478 346 S N 4.084 119.731 115.700 -0.088 0.000 2.549 346 S HA 0.591 5.061 4.470 -0.000 0.000 0.280 346 S C 0.370 175.196 174.600 0.376 0.000 1.109 346 S CA -0.783 57.501 58.200 0.139 0.000 0.905 346 S CB 2.021 65.270 63.200 0.082 0.000 1.081 346 S HN 0.340 nan 8.310 nan 0.000 0.477 347 L N 1.491 122.952 121.223 0.396 0.000 2.456 347 L HA -0.014 4.326 4.340 -0.000 0.000 0.224 347 L C 1.415 178.433 176.870 0.247 0.000 1.148 347 L CA 1.072 56.129 54.840 0.361 0.000 0.825 347 L CB -0.376 41.802 42.059 0.198 0.000 0.937 347 L HN 0.769 nan 8.230 nan 0.000 0.450 348 D N 0.303 120.815 120.400 0.186 0.000 2.269 348 D HA 0.017 4.657 4.640 -0.000 0.000 0.220 348 D C 1.143 177.519 176.300 0.126 0.000 0.962 348 D CA 0.706 54.784 54.000 0.129 0.000 0.884 348 D CB 0.344 41.198 40.800 0.090 0.000 1.023 348 D HN 0.205 nan 8.370 nan 0.000 0.484 349 A N 2.304 125.200 122.820 0.126 0.000 3.175 349 A HA 0.383 4.702 4.320 -0.000 0.000 0.289 349 A C -2.395 175.276 177.584 0.146 0.000 1.429 349 A CA -1.193 50.908 52.037 0.105 0.000 1.155 349 A CB 0.028 19.072 19.000 0.072 0.000 1.169 349 A HN -0.068 nan 8.150 nan 0.000 0.574 350 P HA 0.289 nan 4.420 nan 0.000 0.268 350 P C -0.636 176.707 177.300 0.072 0.000 1.485 350 P CA 0.404 63.642 63.100 0.231 0.000 1.102 350 P CB -0.160 31.715 31.700 0.291 0.000 1.501 351 K N 4.225 124.677 120.400 0.088 0.000 2.635 351 K HA 0.540 4.859 4.320 -0.000 0.000 0.266 351 K C -1.501 175.161 176.600 0.103 0.000 1.033 351 K CA -0.622 55.653 56.287 -0.020 0.000 0.919 351 K CB 0.700 33.203 32.500 0.006 0.000 1.289 351 K HN 0.258 nan 8.250 nan 0.000 0.463 352 F N -1.319 118.570 119.950 -0.101 0.000 2.807 352 F HA 0.606 5.132 4.527 -0.000 0.000 0.316 352 F C -1.566 174.189 175.800 -0.075 0.000 1.162 352 F CA -0.844 57.095 58.000 -0.102 0.000 0.910 352 F CB 1.547 40.450 39.000 -0.162 0.000 1.314 352 F HN 0.123 nan 8.300 nan 0.000 0.454 353 T N 2.406 117.103 114.554 0.238 0.000 2.916 353 T HA 0.714 5.063 4.350 -0.000 0.000 0.298 353 T C -1.127 173.686 174.700 0.188 0.000 1.031 353 T CA -0.619 61.564 62.100 0.138 0.000 0.993 353 T CB 1.684 70.596 68.868 0.073 0.000 1.045 353 T HN 0.670 nan 8.240 nan 0.000 0.454 354 L N 3.661 124.981 121.223 0.162 0.000 2.334 354 L HA 0.707 5.047 4.340 -0.000 0.000 0.276 354 L C -0.686 176.239 176.870 0.092 0.000 1.014 354 L CA -1.059 53.858 54.840 0.128 0.000 0.815 354 L CB 1.681 43.828 42.059 0.146 0.000 1.268 354 L HN 0.484 nan 8.230 nan 0.000 0.428 355 I N 1.936 122.546 120.570 0.066 0.000 2.498 355 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 355 I C -0.740 175.404 176.117 0.046 0.000 1.032 355 I CA -0.708 60.624 61.300 0.053 0.000 1.073 355 I CB 2.242 40.264 38.000 0.036 0.000 1.251 355 I HN 0.520 nan 8.210 nan 0.000 0.426 356 E N 6.986 127.215 120.200 0.048 0.000 2.129 356 E HA 0.495 4.845 4.350 -0.000 0.000 0.268 356 E C -1.028 175.592 176.600 0.034 0.000 0.900 356 E CA -0.732 55.695 56.400 0.044 0.000 0.755 356 E CB 2.442 32.175 29.700 0.055 0.000 1.117 356 E HN 0.316 nan 8.360 nan 0.000 0.410 357 L N 1.846 123.085 121.223 0.026 0.000 2.334 357 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 357 L C -0.018 176.864 176.870 0.020 0.000 1.020 357 L CA -0.956 53.896 54.840 0.020 0.000 0.812 357 L CB 1.038 43.106 42.059 0.015 0.000 1.264 357 L HN 0.469 nan 8.230 nan 0.000 0.439 358 Q N 1.905 121.716 119.800 0.017 0.000 2.337 358 Q HA 0.318 4.658 4.340 -0.000 0.000 0.264 358 Q C -0.750 175.257 176.000 0.013 0.000 1.007 358 Q CA -0.278 55.535 55.803 0.017 0.000 0.727 358 Q CB 0.979 29.728 28.738 0.019 0.000 1.256 358 Q HN 0.504 nan 8.270 nan 0.000 0.467 359 K N 3.414 123.820 120.400 0.011 0.000 3.035 359 K HA -0.282 4.038 4.320 -0.000 0.000 0.262 359 K C 0.570 177.174 176.600 0.007 0.000 1.024 359 K CA 0.741 57.033 56.287 0.009 0.000 0.748 359 K CB -1.774 30.731 32.500 0.008 0.000 1.247 359 K HN 1.188 nan 8.250 nan 0.000 0.482 360 G N -0.188 108.617 108.800 0.007 0.000 2.225 360 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.254 360 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.254 360 G C 0.109 175.012 174.900 0.005 0.000 0.988 360 G CA 0.479 45.582 45.100 0.006 0.000 0.625 360 G HN 0.364 nan 8.290 nan 0.000 0.527 361 R N 0.406 120.910 120.500 0.006 0.000 2.254 361 R HA 0.619 4.959 4.340 -0.000 0.000 0.318 361 R C 0.758 177.062 176.300 0.008 0.000 1.031 361 R CA -0.691 55.412 56.100 0.005 0.000 0.905 361 R CB 0.431 30.734 30.300 0.006 0.000 1.050 361 R HN 0.281 nan 8.270 nan 0.000 0.456 362 I N 5.223 125.796 120.570 0.005 0.000 2.587 362 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 362 I C 1.193 177.317 176.117 0.011 0.000 1.134 362 I CA 0.237 61.542 61.300 0.007 0.000 1.410 362 I CB 0.862 38.861 38.000 -0.001 0.000 1.392 362 I HN 0.552 nan 8.210 nan 0.000 0.545 363 V N 2.618 122.545 119.914 0.022 0.000 3.432 363 V HA 0.657 4.776 4.120 -0.000 0.000 0.298 363 V C 0.418 176.539 176.094 0.046 0.000 1.464 363 V CA 0.223 62.541 62.300 0.030 0.000 1.046 363 V CB 0.089 31.932 31.823 0.033 0.000 0.887 363 V HN 0.866 nan 8.190 nan 0.000 0.441 364 G N -0.791 108.038 108.800 0.048 0.000 2.411 364 G HA2 0.790 4.750 3.960 -0.000 0.000 0.295 364 G HA3 0.790 4.750 3.960 -0.000 0.000 0.295 364 G C -1.346 173.600 174.900 0.075 0.000 1.542 364 G CA 0.109 45.252 45.100 0.073 0.000 0.814 364 G HN 1.250 nan 8.290 nan 0.000 0.557 365 A N -0.254 122.632 122.820 0.109 0.000 2.594 365 A HA 0.950 5.270 4.320 -0.000 0.000 0.295 365 A C -0.649 177.047 177.584 0.186 0.000 1.071 365 A CA -0.481 51.633 52.037 0.127 0.000 0.685 365 A CB 1.909 20.969 19.000 0.100 0.000 1.285 365 A HN 1.292 nan 8.150 nan 0.000 0.405 366 T N 0.674 115.316 114.554 0.146 0.000 2.928 366 T HA 0.517 4.867 4.350 -0.000 0.000 0.296 366 T C -1.133 173.574 174.700 0.012 0.000 1.000 366 T CA -0.202 61.946 62.100 0.080 0.000 0.989 366 T CB 0.912 69.826 68.868 0.076 0.000 1.005 366 T HN 0.761 nan 8.240 nan 0.000 0.442 367 C N 3.523 122.755 119.300 -0.114 0.000 2.322 367 C HA 0.653 5.112 4.460 -0.000 0.000 0.324 367 C C 0.120 174.911 174.990 -0.332 0.000 1.249 367 C CA -0.727 58.179 59.018 -0.188 0.000 1.453 367 C CB 0.277 27.935 27.740 -0.136 0.000 2.145 367 C HN 0.722 nan 8.230 nan 0.000 0.466 368 V N 5.600 125.224 119.914 -0.483 0.000 2.311 368 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 368 V C -0.007 175.860 176.094 -0.378 0.000 1.022 368 V CA -0.259 61.714 62.300 -0.546 0.000 0.830 368 V CB 0.739 31.928 31.823 -1.056 0.000 1.012 368 V HN 0.972 nan 8.190 nan 0.000 0.452 369 N N 4.196 122.750 118.700 -0.243 0.000 2.738 369 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 369 N C 0.101 175.532 175.510 -0.132 0.000 1.047 369 N CA 0.731 53.687 53.050 -0.157 0.000 0.707 369 N CB -0.857 37.555 38.487 -0.125 0.000 0.937 369 N HN 0.799 nan 8.380 nan 0.000 0.545 370 N N -1.258 117.360 118.700 -0.137 0.000 2.527 370 N HA 0.309 5.048 4.740 -0.000 0.000 0.279 370 N C 0.924 176.398 175.510 -0.061 0.000 1.571 370 N CA 0.415 53.412 53.050 -0.089 0.000 0.858 370 N CB 0.145 38.579 38.487 -0.088 0.000 1.422 370 N HN 0.259 nan 8.380 nan 0.000 0.491 371 A N 0.467 123.243 122.820 -0.073 0.000 2.104 371 A HA -0.200 4.120 4.320 -0.000 0.000 0.223 371 A C 2.225 179.815 177.584 0.010 0.000 1.164 371 A CA 1.212 53.225 52.037 -0.039 0.000 0.659 371 A CB -0.290 18.671 19.000 -0.064 0.000 0.808 371 A HN 0.363 nan 8.150 nan 0.000 0.465 372 R N -0.644 119.851 120.500 -0.007 0.000 2.091 372 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 372 R C 1.343 177.648 176.300 0.009 0.000 1.136 372 R CA 1.763 57.860 56.100 -0.005 0.000 0.959 372 R CB -0.353 29.940 30.300 -0.012 0.000 0.856 372 R HN 0.525 nan 8.270 nan 0.000 0.437 373 D N -0.326 120.089 120.400 0.024 0.000 2.183 373 D HA -0.125 4.515 4.640 -0.000 0.000 0.203 373 D C 1.478 177.820 176.300 0.071 0.000 0.969 373 D CA 0.612 54.633 54.000 0.034 0.000 0.842 373 D CB -0.230 40.592 40.800 0.036 0.000 0.957 373 D HN 0.048 nan 8.370 nan 0.000 0.484 374 F N 2.055 121.949 119.950 -0.094 0.000 2.046 374 F HA -0.214 4.312 4.527 -0.000 0.000 0.297 374 F C 2.288 177.999 175.800 -0.148 0.000 1.123 374 F CA 1.391 59.318 58.000 -0.121 0.000 1.199 374 F CB -0.739 38.173 39.000 -0.146 0.000 0.972 374 F HN -0.039 nan 8.300 nan 0.000 0.474 375 A N 0.910 123.658 122.820 -0.119 0.000 1.873 375 A HA -0.197 4.122 4.320 -0.000 0.000 0.218 375 A C -0.122 177.335 177.584 -0.212 0.000 1.193 375 A CA 2.251 54.152 52.037 -0.226 0.000 0.629 375 A CB -2.389 16.538 19.000 -0.122 0.000 0.826 375 A HN 0.395 nan 8.150 nan 0.000 0.447 376 P HA -0.119 nan 4.420 nan 0.000 0.216 376 P C 1.658 178.882 177.300 -0.127 0.000 1.153 376 P CA 0.926 63.962 63.100 -0.106 0.000 0.848 376 P CB -0.215 31.448 31.700 -0.063 0.000 0.787 377 L N -0.808 120.333 121.223 -0.138 0.000 2.131 377 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 377 L C 3.000 179.747 176.870 -0.205 0.000 1.092 377 L CA 1.307 56.067 54.840 -0.133 0.000 0.759 377 L CB -0.452 41.555 42.059 -0.086 0.000 0.903 377 L HN -0.097 nan 8.230 nan 0.000 0.435 378 R N -0.505 119.783 120.500 -0.354 0.000 2.092 378 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 378 R C 2.334 178.500 176.300 -0.224 0.000 1.119 378 R CA 0.952 56.820 56.100 -0.387 0.000 0.970 378 R CB -0.207 29.719 30.300 -0.623 0.000 0.864 378 R HN 0.284 nan 8.270 nan 0.000 0.440 379 R N 0.573 120.961 120.500 -0.188 0.000 2.066 379 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 379 R C 2.281 178.529 176.300 -0.087 0.000 1.131 379 R CA 1.171 57.199 56.100 -0.120 0.000 0.955 379 R CB -0.294 29.946 30.300 -0.100 0.000 0.851 379 R HN 0.096 nan 8.270 nan 0.000 0.432 380 L N 0.227 121.400 121.223 -0.083 0.000 2.141 380 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 380 L C 2.281 179.121 176.870 -0.050 0.000 1.094 380 L CA 0.885 55.691 54.840 -0.056 0.000 0.763 380 L CB -0.341 41.689 42.059 -0.048 0.000 0.908 380 L HN 0.253 nan 8.230 nan 0.000 0.437 381 L N -0.225 120.958 121.223 -0.066 0.000 2.109 381 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 381 L C 2.677 179.522 176.870 -0.041 0.000 1.086 381 L CA 1.358 56.170 54.840 -0.047 0.000 0.760 381 L CB -0.398 41.628 42.059 -0.054 0.000 0.910 381 L HN 0.285 nan 8.230 nan 0.000 0.437 382 A N -0.164 122.621 122.820 -0.057 0.000 1.986 382 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 382 A C 1.834 179.399 177.584 -0.032 0.000 1.171 382 A CA 2.059 54.069 52.037 -0.045 0.000 0.640 382 A CB -0.711 18.255 19.000 -0.057 0.000 0.811 382 A HN 0.494 nan 8.150 nan 0.000 0.451 383 V N -4.409 115.487 119.914 -0.031 0.000 3.319 383 V HA 0.576 4.696 4.120 -0.000 0.000 0.317 383 V C 0.948 177.032 176.094 -0.016 0.000 1.411 383 V CA 0.447 62.734 62.300 -0.021 0.000 1.112 383 V CB -0.843 30.967 31.823 -0.021 0.000 1.031 383 V HN 1.533 nan 8.190 nan 0.000 0.448 384 G N 1.208 109.998 108.800 -0.016 0.000 2.371 384 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.299 384 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.299 384 G C 0.407 175.302 174.900 -0.009 0.000 1.014 384 G CA 0.428 45.522 45.100 -0.009 0.000 1.097 384 G HN 1.826 nan 8.290 nan 0.000 0.512 385 A N -0.361 122.451 122.820 -0.013 0.000 2.483 385 A HA 0.613 4.933 4.320 -0.000 0.000 0.238 385 A C 0.845 178.424 177.584 -0.007 0.000 1.070 385 A CA 0.679 52.708 52.037 -0.012 0.000 0.770 385 A CB 0.422 19.411 19.000 -0.017 0.000 1.008 385 A HN 0.572 nan 8.150 nan 0.000 0.497 386 K N 2.117 122.513 120.400 -0.006 0.000 2.877 386 K HA 0.279 4.599 4.320 -0.000 0.000 0.176 386 K C -2.423 174.175 176.600 -0.003 0.000 1.075 386 K CA -1.174 55.111 56.287 -0.003 0.000 0.939 386 K CB 0.636 33.135 32.500 -0.002 0.000 1.237 386 K HN 0.684 nan 8.250 nan 0.000 0.607 387 P HA 0.024 nan 4.420 nan 0.000 0.274 387 P C 0.396 177.695 177.300 -0.002 0.000 1.246 387 P CA -0.324 62.773 63.100 -0.005 0.000 0.795 387 P CB 0.954 32.650 31.700 -0.006 0.000 1.006 388 D N 1.029 121.428 120.400 -0.003 0.000 2.799 388 D HA -0.289 4.351 4.640 -0.000 0.000 0.309 388 D C 1.341 177.641 176.300 -0.001 0.000 1.223 388 D CA 2.337 56.336 54.000 -0.002 0.000 1.133 388 D CB 0.102 40.901 40.800 -0.002 0.000 1.548 388 D HN 0.726 nan 8.370 nan 0.000 0.547 389 R N -2.923 117.577 120.500 -0.000 0.000 1.602 389 R HA -0.102 4.238 4.340 -0.000 0.000 0.246 389 R C 1.664 177.965 176.300 0.000 0.000 0.480 389 R CA 1.019 57.120 56.100 0.001 0.000 1.872 389 R CB -1.491 28.810 30.300 0.001 0.000 1.442 389 R HN 0.246 nan 8.270 nan 0.000 0.372 390 A N 0.950 123.769 122.820 -0.001 0.000 1.903 390 A HA 0.354 4.674 4.320 -0.000 0.000 0.213 390 A C 2.035 179.618 177.584 -0.001 0.000 1.185 390 A CA 1.523 53.559 52.037 -0.001 0.000 0.628 390 A CB -0.392 18.607 19.000 -0.002 0.000 0.830 390 A HN 0.510 nan 8.150 nan 0.000 0.446 391 A N -1.028 121.791 122.820 -0.001 0.000 2.119 391 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 391 A C 1.925 179.508 177.584 -0.001 0.000 1.153 391 A CA 1.269 53.305 52.037 -0.001 0.000 0.692 391 A CB -0.368 18.630 19.000 -0.002 0.000 0.799 391 A HN 0.440 nan 8.150 nan 0.000 0.458 392 L N -1.468 119.755 121.223 0.000 0.000 2.418 392 L HA 0.206 4.545 4.340 -0.000 0.000 0.218 392 L C 2.342 179.215 176.870 0.005 0.000 1.125 392 L CA 1.405 56.246 54.840 0.002 0.000 0.835 392 L CB -0.106 41.954 42.059 0.003 0.000 0.953 392 L HN 0.312 nan 8.230 nan 0.000 0.454 393 A N -1.639 121.183 122.820 0.003 0.000 2.252 393 A HA 0.127 4.446 4.320 -0.000 0.000 0.213 393 A C 0.341 177.926 177.584 0.001 0.000 1.188 393 A CA 0.372 52.410 52.037 0.002 0.000 0.863 393 A CB -0.293 18.706 19.000 -0.001 0.000 0.893 393 A HN 0.450 nan 8.150 nan 0.000 0.495 394 D N -0.974 119.427 120.400 0.001 0.000 2.350 394 D HA 0.444 5.084 4.640 -0.000 0.000 0.245 394 D C -2.751 173.550 176.300 0.001 0.000 1.036 394 D CA -2.149 51.851 54.000 0.000 0.000 0.848 394 D CB 1.294 42.093 40.800 -0.001 0.000 1.307 394 D HN -0.182 nan 8.370 nan 0.000 0.469 395 P HA -0.000 nan 4.420 nan 0.000 0.067 395 P C -0.730 176.571 177.300 0.001 0.000 0.748 395 P CA 0.566 63.667 63.100 0.002 0.000 0.984 395 P CB -0.853 30.848 31.700 0.002 0.000 1.664 396 A N 0.783 123.603 122.820 0.000 0.000 2.269 396 A HA 0.603 4.923 4.320 -0.000 0.000 0.327 396 A C 0.253 177.835 177.584 -0.003 0.000 1.112 396 A CA -0.370 51.666 52.037 -0.002 0.000 0.865 396 A CB 0.735 19.734 19.000 -0.002 0.000 1.227 396 A HN 0.122 nan 8.150 nan 0.000 0.498 397 T N 1.213 115.764 114.554 -0.005 0.000 2.738 397 T HA 0.245 4.595 4.350 -0.000 0.000 0.298 397 T C 0.131 174.825 174.700 -0.009 0.000 0.962 397 T CA -0.106 61.990 62.100 -0.007 0.000 0.972 397 T CB 0.457 69.320 68.868 -0.008 0.000 0.928 397 T HN 0.587 nan 8.240 nan 0.000 0.474 398 D N 2.606 123.000 120.400 -0.010 0.000 2.117 398 D HA -0.095 4.544 4.640 -0.000 0.000 0.197 398 D C 2.093 178.380 176.300 -0.021 0.000 0.987 398 D CA 0.652 54.643 54.000 -0.015 0.000 0.829 398 D CB -0.128 40.663 40.800 -0.014 0.000 0.961 398 D HN 0.405 nan 8.370 nan 0.000 0.460 399 L N 0.570 121.781 121.223 -0.021 0.000 2.051 399 L HA -0.290 4.050 4.340 -0.000 0.000 0.214 399 L C 2.560 179.417 176.870 -0.022 0.000 1.076 399 L CA 2.722 57.546 54.840 -0.025 0.000 0.758 399 L CB -0.384 41.662 42.059 -0.022 0.000 0.890 399 L HN 0.033 nan 8.230 nan 0.000 0.433 400 R N -0.131 120.359 120.500 -0.017 0.000 2.055 400 R HA -0.038 4.302 4.340 -0.000 0.000 0.228 400 R C 2.492 178.783 176.300 -0.015 0.000 1.143 400 R CA 2.271 58.363 56.100 -0.015 0.000 0.945 400 R CB -1.812 28.481 30.300 -0.011 0.000 0.841 400 R HN 0.518 nan 8.270 nan 0.000 0.429 401 K N 0.377 120.769 120.400 -0.015 0.000 2.113 401 K HA 0.147 4.466 4.320 -0.000 0.000 0.208 401 K C 2.746 179.335 176.600 -0.019 0.000 1.047 401 K CA 2.516 58.794 56.287 -0.015 0.000 0.928 401 K CB -1.728 30.764 32.500 -0.013 0.000 0.716 401 K HN 0.977 nan 8.250 nan 0.000 0.446 402 L N -0.045 121.163 121.223 -0.024 0.000 2.109 402 L HA 0.484 4.824 4.340 -0.000 0.000 0.207 402 L C 3.005 179.859 176.870 -0.027 0.000 1.086 402 L CA 2.415 57.236 54.840 -0.031 0.000 0.760 402 L CB -1.773 40.261 42.059 -0.042 0.000 0.910 402 L HN 0.710 nan 8.230 nan 0.000 0.437 403 A N -0.511 122.295 122.820 -0.023 0.000 1.933 403 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 403 A C 2.805 180.379 177.584 -0.016 0.000 1.175 403 A CA 2.178 54.203 52.037 -0.019 0.000 0.628 403 A CB -0.895 18.095 19.000 -0.017 0.000 0.814 403 A HN 1.241 nan 8.150 nan 0.000 0.444 404 A N 0.068 122.880 122.820 -0.014 0.000 1.858 404 A HA 0.319 4.639 4.320 -0.000 0.000 0.216 404 A C 1.774 179.351 177.584 -0.012 0.000 1.190 404 A CA 1.580 53.610 52.037 -0.012 0.000 0.617 404 A CB -1.108 17.885 19.000 -0.011 0.000 0.827 404 A HN 1.085 nan 8.150 nan 0.000 0.443 405 A N 0.000 122.812 122.820 -0.014 0.000 2.254 405 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 405 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 405 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 405 A HN 0.000 nan 8.150 nan 0.000 0.486