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 2fkm_1_X DATA FIRST_RESID 10 DATA SEQUENCE PASIFRAYDI RGVVGDTLTA ETAYWIGRAI GSESLARGEP CVAVGRDGRL DATA SEQUENCE SGPELVKQLI QGLVDCGCQV SDVGMVPTPV LYYAANVLEG KSGVMLTGDH DATA SEQUENCE NPPDYNGFKI VVAGETLANE QIQALRERIE KNDLASGVGS VEQVDILPRY DATA SEQUENCE FKQIRDDIAM AKPMKVVVDC GNGVAGVIAP QLIEALGCSV IPLYCEVDGN DATA SEQUENCE FPNHHPDPGK PENLKDLIAK VKAENADLGL AFDGDGDRVG VVTNTGTIIY DATA SEQUENCE PDRLLMLFAK DVVSRNPGAD IIFDVKCTRR LIALISGYGG RPVMWKTGHS DATA SEQUENCE LIKKKMKETG ALLAGEMSGH VFFKERWFGF DDGIYSAARL LEILSQDQRD DATA SEQUENCE SEHVFSAFPS DISTPEINIT VTEDSKFAII EALQRDAQWG EGNITTLDGV DATA SEQUENCE RVDYPKGWGL VRASNTTPVL VLRFEADTEE ELERIKTVFR NQLKAVDSSL DATA SEQUENCE PVPF 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.460 177.300 0.267 0.000 1.155 10 P CA 0.000 63.197 63.100 0.161 0.000 0.800 10 P CB 0.000 31.775 31.700 0.125 0.000 0.726 11 A N 0.600 123.536 122.820 0.193 0.000 2.067 11 A HA 0.207 4.526 4.320 -0.000 0.000 0.219 11 A C 2.335 180.087 177.584 0.281 0.000 1.158 11 A CA 2.456 54.635 52.037 0.236 0.000 0.661 11 A CB -0.513 18.530 19.000 0.073 0.000 0.801 11 A HN 1.637 nan 8.150 nan 0.000 0.452 12 S N 0.824 116.635 115.700 0.185 0.000 2.440 12 S HA -0.183 4.287 4.470 -0.000 0.000 0.238 12 S C 1.751 176.430 174.600 0.131 0.000 1.010 12 S CA 1.313 59.596 58.200 0.138 0.000 0.972 12 S CB -0.932 62.327 63.200 0.097 0.000 0.774 12 S HN 0.921 nan 8.310 nan 0.000 0.501 13 I N -3.038 117.610 120.570 0.131 0.000 3.251 13 I HA 0.356 4.526 4.170 -0.000 0.000 0.277 13 I C -0.337 175.706 176.117 -0.123 0.000 1.268 13 I CA -0.146 61.148 61.300 -0.010 0.000 1.449 13 I CB -0.347 37.594 38.000 -0.099 0.000 1.083 13 I HN 0.011 nan 8.210 nan 0.000 0.464 14 F N 3.918 123.909 119.950 0.067 0.000 2.405 14 F HA 0.472 4.999 4.527 -0.000 0.000 0.358 14 F C 0.821 176.644 175.800 0.039 0.000 1.151 14 F CA -0.418 57.615 58.000 0.055 0.000 1.161 14 F CB 0.257 39.278 39.000 0.034 0.000 1.245 14 F HN -0.063 nan 8.300 nan 0.000 0.545 15 R N 1.261 121.838 120.500 0.129 0.000 2.705 15 R HA 0.690 5.030 4.340 -0.000 0.000 0.246 15 R C 1.103 177.410 176.300 0.011 0.000 1.142 15 R CA -0.485 55.644 56.100 0.049 0.000 1.114 15 R CB 0.580 30.884 30.300 0.006 0.000 1.256 15 R HN 0.574 nan 8.270 nan 0.000 0.536 16 A N 0.403 123.144 122.820 -0.131 0.000 1.902 16 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 16 A C 1.241 178.806 177.584 -0.033 0.000 1.181 16 A CA 1.483 53.421 52.037 -0.165 0.000 0.623 16 A CB -0.428 18.348 19.000 -0.373 0.000 0.818 16 A HN 0.670 nan 8.150 nan 0.000 0.443 17 Y N -0.190 120.136 120.300 0.044 0.000 2.481 17 Y HA 0.269 4.819 4.550 -0.000 0.000 0.258 17 Y C 0.409 176.345 175.900 0.061 0.000 1.103 17 Y CA -0.630 57.461 58.100 -0.016 0.000 1.287 17 Y CB 0.087 38.523 38.460 -0.040 0.000 1.108 17 Y HN 0.598 nan 8.280 nan 0.000 0.529 18 D N -1.458 119.077 120.400 0.226 0.000 2.992 18 D HA 0.235 4.874 4.640 -0.000 0.000 0.349 18 D C -1.152 175.240 176.300 0.153 0.000 1.393 18 D CA -0.643 53.493 54.000 0.227 0.000 0.887 18 D CB 0.611 41.588 40.800 0.296 0.000 1.447 18 D HN -0.099 nan 8.370 nan 0.000 0.524 19 I N -0.673 119.990 120.570 0.156 0.000 2.441 19 I HA 0.644 4.814 4.170 -0.000 0.000 0.295 19 I C -0.457 175.728 176.117 0.113 0.000 0.994 19 I CA -0.780 60.559 61.300 0.066 0.000 1.144 19 I CB 1.712 39.723 38.000 0.019 0.000 1.314 19 I HN 0.323 nan 8.210 nan 0.000 0.445 20 R N 3.653 124.189 120.500 0.060 0.000 2.522 20 R HA 0.755 5.095 4.340 -0.000 0.000 0.283 20 R C -1.208 175.152 176.300 0.100 0.000 1.074 20 R CA -0.398 55.755 56.100 0.090 0.000 0.925 20 R CB 1.979 32.337 30.300 0.096 0.000 1.205 20 R HN 0.817 nan 8.270 nan 0.000 0.436 21 G N 0.958 109.822 108.800 0.107 0.000 2.684 21 G HA2 0.605 4.564 3.960 -0.000 0.000 0.290 21 G HA3 0.605 4.564 3.960 -0.000 0.000 0.290 21 G C -1.469 173.382 174.900 -0.082 0.000 1.425 21 G CA -0.217 44.909 45.100 0.043 0.000 0.822 21 G HN 0.694 nan 8.290 nan 0.000 0.482 22 V N 0.471 120.246 119.914 -0.232 0.000 2.385 22 V HA 0.588 4.708 4.120 -0.000 0.000 0.269 22 V C 0.708 176.687 176.094 -0.191 0.000 1.043 22 V CA -0.782 61.265 62.300 -0.421 0.000 0.906 22 V CB 1.153 32.687 31.823 -0.482 0.000 0.995 22 V HN 0.616 nan 8.190 nan 0.000 0.467 23 V N 6.445 126.268 119.914 -0.152 0.000 2.493 23 V HA 0.488 4.608 4.120 -0.000 0.000 0.292 23 V C 1.597 177.658 176.094 -0.055 0.000 1.016 23 V CA 1.781 64.040 62.300 -0.069 0.000 1.097 23 V CB -0.137 31.658 31.823 -0.047 0.000 0.947 23 V HN 1.859 nan 8.190 nan 0.000 0.479 24 G N 2.935 111.720 108.800 -0.024 0.000 2.659 24 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.212 24 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.212 24 G C 0.433 175.326 174.900 -0.011 0.000 1.226 24 G CA 0.977 46.069 45.100 -0.014 0.000 0.739 24 G HN 0.876 nan 8.290 nan 0.000 0.528 25 D N 0.140 120.520 120.400 -0.034 0.000 2.119 25 D HA 0.234 4.874 4.640 -0.000 0.000 0.231 25 D C 2.503 178.800 176.300 -0.004 0.000 0.999 25 D CA 3.304 57.289 54.000 -0.025 0.000 0.915 25 D CB -1.319 39.450 40.800 -0.052 0.000 1.017 25 D HN 1.174 nan 8.370 nan 0.000 0.437 26 T N -2.357 112.188 114.554 -0.016 0.000 3.067 26 T HA 0.297 4.647 4.350 -0.000 0.000 0.257 26 T C 0.384 175.105 174.700 0.034 0.000 1.105 26 T CA 0.247 62.357 62.100 0.016 0.000 1.104 26 T CB 0.205 69.080 68.868 0.012 0.000 0.925 26 T HN 0.293 nan 8.240 nan 0.000 0.498 27 L N 3.160 124.395 121.223 0.019 0.000 2.345 27 L HA 0.565 4.905 4.340 -0.000 0.000 0.274 27 L C -0.221 176.683 176.870 0.056 0.000 0.999 27 L CA -0.387 54.487 54.840 0.056 0.000 0.849 27 L CB 1.323 43.412 42.059 0.050 0.000 1.220 27 L HN 0.322 nan 8.230 nan 0.000 0.422 28 T N 0.993 115.599 114.554 0.087 0.000 2.949 28 T HA 0.715 5.065 4.350 -0.000 0.000 0.287 28 T C 1.211 175.971 174.700 0.101 0.000 1.034 28 T CA -0.190 61.957 62.100 0.078 0.000 1.018 28 T CB 1.486 70.402 68.868 0.080 0.000 1.135 28 T HN 0.553 nan 8.240 nan 0.000 0.532 29 A N 0.423 123.289 122.820 0.076 0.000 1.908 29 A HA 0.054 4.373 4.320 -0.000 0.000 0.218 29 A C 2.566 180.208 177.584 0.097 0.000 1.181 29 A CA 2.372 54.455 52.037 0.076 0.000 0.627 29 A CB -1.852 17.171 19.000 0.038 0.000 0.818 29 A HN 1.185 nan 8.150 nan 0.000 0.445 30 E N -0.475 119.786 120.200 0.103 0.000 2.077 30 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 30 E C 2.050 178.808 176.600 0.264 0.000 0.989 30 E CA 2.264 58.748 56.400 0.140 0.000 0.800 30 E CB -1.778 28.029 29.700 0.180 0.000 0.746 30 E HN 0.887 nan 8.360 nan 0.000 0.452 31 T N -1.495 113.215 114.554 0.260 0.000 2.821 31 T HA 0.219 4.569 4.350 -0.000 0.000 0.267 31 T C 2.383 177.211 174.700 0.213 0.000 1.046 31 T CA 1.499 63.773 62.100 0.290 0.000 1.139 31 T CB -0.274 68.725 68.868 0.219 0.000 0.871 31 T HN 0.586 nan 8.240 nan 0.000 0.454 32 A N 0.817 123.758 122.820 0.201 0.000 1.933 32 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 32 A C 2.130 179.763 177.584 0.081 0.000 1.175 32 A CA 1.559 53.727 52.037 0.219 0.000 0.628 32 A CB -1.196 17.991 19.000 0.311 0.000 0.814 32 A HN 0.613 nan 8.150 nan 0.000 0.444 33 Y N -1.047 119.213 120.300 -0.067 0.000 2.114 33 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 33 Y C 2.109 177.857 175.900 -0.254 0.000 1.143 33 Y CA 2.008 59.965 58.100 -0.239 0.000 1.135 33 Y CB -0.543 37.650 38.460 -0.444 0.000 0.980 33 Y HN 0.441 nan 8.280 nan 0.000 0.499 34 W N 0.122 121.427 121.300 0.009 0.000 2.402 34 W HA -0.100 4.560 4.660 -0.000 0.000 0.286 34 W C 2.269 178.708 176.519 -0.134 0.000 1.221 34 W CA 0.840 58.143 57.345 -0.071 0.000 1.257 34 W CB -0.239 29.275 29.460 0.090 0.000 1.120 34 W HN 0.058 nan 8.180 nan 0.000 0.551 35 I N 0.171 120.763 120.570 0.036 0.000 2.226 35 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 35 I C 2.713 178.703 176.117 -0.211 0.000 1.100 35 I CA 1.560 62.772 61.300 -0.146 0.000 1.374 35 I CB -1.049 36.644 38.000 -0.511 0.000 1.057 35 I HN 0.067 nan 8.210 nan 0.000 0.413 36 G N 0.655 109.307 108.800 -0.246 0.000 2.418 36 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 36 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 36 G C 1.784 176.553 174.900 -0.218 0.000 1.158 36 G CA 0.335 45.302 45.100 -0.222 0.000 0.771 36 G HN 0.171 nan 8.290 nan 0.000 0.545 37 R N 0.718 121.037 120.500 -0.302 0.000 2.096 37 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 37 R C 2.937 179.214 176.300 -0.038 0.000 1.127 37 R CA 1.289 57.284 56.100 -0.175 0.000 0.968 37 R CB -0.945 29.287 30.300 -0.113 0.000 0.861 37 R HN 0.370 nan 8.270 nan 0.000 0.440 38 A N 1.092 123.909 122.820 -0.005 0.000 1.873 38 A HA -0.096 4.223 4.320 -0.000 0.000 0.215 38 A C 2.308 179.887 177.584 -0.008 0.000 1.186 38 A CA 1.086 53.131 52.037 0.014 0.000 0.616 38 A CB -0.439 18.585 19.000 0.040 0.000 0.823 38 A HN 0.175 nan 8.150 nan 0.000 0.442 39 I N -0.335 120.215 120.570 -0.033 0.000 2.202 39 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 39 I C 2.716 178.820 176.117 -0.020 0.000 1.091 39 I CA 1.114 62.400 61.300 -0.024 0.000 1.368 39 I CB -0.624 37.353 38.000 -0.037 0.000 1.058 39 I HN 0.391 nan 8.210 nan 0.000 0.410 40 G N -0.037 108.741 108.800 -0.037 0.000 2.418 40 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 40 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 40 G C 1.765 176.655 174.900 -0.016 0.000 1.158 40 G CA 1.006 46.088 45.100 -0.030 0.000 0.771 40 G HN 0.356 nan 8.290 nan 0.000 0.545 41 S N 0.384 116.077 115.700 -0.012 0.000 2.368 41 S HA -0.076 4.393 4.470 -0.000 0.000 0.224 41 S C 2.185 176.784 174.600 -0.001 0.000 1.029 41 S CA 1.491 59.690 58.200 -0.002 0.000 0.988 41 S CB -0.152 63.052 63.200 0.007 0.000 0.838 41 S HN 0.480 nan 8.310 nan 0.000 0.462 42 E N 1.684 121.883 120.200 -0.001 0.000 2.072 42 E HA -0.065 4.284 4.350 -0.000 0.000 0.191 42 E C 2.170 178.771 176.600 0.001 0.000 0.985 42 E CA 1.332 57.733 56.400 0.001 0.000 0.801 42 E CB -0.651 29.052 29.700 0.006 0.000 0.750 42 E HN 0.277 nan 8.360 nan 0.000 0.452 43 S N -0.661 115.039 115.700 0.000 0.000 2.359 43 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 43 S C 1.890 176.489 174.600 -0.002 0.000 1.035 43 S CA 1.363 59.563 58.200 -0.000 0.000 1.018 43 S CB -0.350 62.849 63.200 -0.002 0.000 0.876 43 S HN 0.350 nan 8.310 nan 0.000 0.448 44 L N 0.821 122.042 121.223 -0.003 0.000 2.093 44 L HA -0.041 4.298 4.340 -0.000 0.000 0.208 44 L C 2.798 179.667 176.870 -0.002 0.000 1.085 44 L CA 1.056 55.894 54.840 -0.002 0.000 0.755 44 L CB -0.599 41.459 42.059 -0.002 0.000 0.904 44 L HN 0.376 nan 8.230 nan 0.000 0.435 45 A N 0.161 122.980 122.820 -0.002 0.000 2.019 45 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 45 A C 2.139 179.722 177.584 -0.002 0.000 1.164 45 A CA 1.231 53.267 52.037 -0.002 0.000 0.644 45 A CB -0.375 18.623 19.000 -0.002 0.000 0.805 45 A HN 0.379 nan 8.150 nan 0.000 0.449 46 R N -1.156 119.343 120.500 -0.002 0.000 2.356 46 R HA 0.246 4.586 4.340 -0.000 0.000 0.234 46 R C 1.000 177.298 176.300 -0.003 0.000 0.929 46 R CA 0.430 56.529 56.100 -0.002 0.000 1.084 46 R CB -0.131 30.168 30.300 -0.001 0.000 1.105 46 R HN 0.622 nan 8.270 nan 0.000 0.515 47 G N 2.069 110.867 108.800 -0.003 0.000 2.176 47 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.252 47 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.252 47 G C -0.274 174.623 174.900 -0.004 0.000 1.024 47 G CA 0.320 45.418 45.100 -0.004 0.000 0.755 47 G HN 0.350 nan 8.290 nan 0.000 0.507 48 E N 0.334 120.532 120.200 -0.004 0.000 2.207 48 E HA 0.542 4.892 4.350 -0.000 0.000 0.250 48 E C -0.986 175.611 176.600 -0.006 0.000 0.890 48 E CA -2.329 54.067 56.400 -0.006 0.000 0.749 48 E CB 1.447 31.144 29.700 -0.006 0.000 1.193 48 E HN 0.123 nan 8.360 nan 0.000 0.423 49 P HA 0.025 nan 4.420 nan 0.000 0.231 49 P C -0.153 177.142 177.300 -0.009 0.000 1.168 49 P CA 0.049 63.145 63.100 -0.007 0.000 0.779 49 P CB 0.280 31.977 31.700 -0.006 0.000 0.844 50 C N 1.218 120.512 119.300 -0.011 0.000 2.285 50 C HA 0.512 4.972 4.460 -0.000 0.000 0.335 50 C C 0.269 175.251 174.990 -0.014 0.000 1.267 50 C CA -0.395 58.615 59.018 -0.013 0.000 1.762 50 C CB 0.546 28.276 27.740 -0.017 0.000 2.365 50 C HN -0.004 nan 8.230 nan 0.000 0.527 51 V N 3.398 123.305 119.914 -0.012 0.000 2.577 51 V HA 0.710 4.830 4.120 -0.000 0.000 0.303 51 V C 0.288 176.375 176.094 -0.010 0.000 1.042 51 V CA -0.410 61.885 62.300 -0.008 0.000 0.872 51 V CB 1.541 33.362 31.823 -0.003 0.000 0.998 51 V HN 1.012 nan 8.190 nan 0.000 0.423 52 A N 4.190 127.002 122.820 -0.013 0.000 2.316 52 A HA 0.866 5.185 4.320 -0.000 0.000 0.284 52 A C -0.572 177.010 177.584 -0.004 0.000 1.115 52 A CA -0.455 51.571 52.037 -0.018 0.000 0.812 52 A CB 1.189 20.168 19.000 -0.036 0.000 1.064 52 A HN 0.812 nan 8.150 nan 0.000 0.489 53 V N 1.372 121.281 119.914 -0.008 0.000 2.623 53 V HA 0.712 4.832 4.120 -0.000 0.000 0.304 53 V C 0.520 176.602 176.094 -0.019 0.000 1.054 53 V CA 0.129 62.430 62.300 0.002 0.000 0.882 53 V CB 1.708 33.539 31.823 0.013 0.000 1.002 53 V HN 1.325 nan 8.190 nan 0.000 0.424 54 G N 3.953 112.735 108.800 -0.031 0.000 2.658 54 G HA2 0.883 4.842 3.960 -0.000 0.000 0.292 54 G HA3 0.883 4.842 3.960 -0.000 0.000 0.292 54 G C -1.140 173.723 174.900 -0.062 0.000 1.320 54 G CA -0.919 44.146 45.100 -0.059 0.000 0.933 54 G HN 0.834 nan 8.290 nan 0.000 0.476 55 R N -0.591 119.865 120.500 -0.073 0.000 2.799 55 R HA 0.642 4.982 4.340 -0.000 0.000 0.270 55 R C -1.219 175.034 176.300 -0.078 0.000 1.010 55 R CA -0.831 55.223 56.100 -0.077 0.000 0.916 55 R CB 1.746 32.007 30.300 -0.065 0.000 1.228 55 R HN 0.558 nan 8.270 nan 0.000 0.469 56 D N 0.343 120.703 120.400 -0.067 0.000 2.507 56 D HA 0.177 4.817 4.640 -0.000 0.000 0.280 56 D C 0.850 177.128 176.300 -0.037 0.000 1.219 56 D CA -0.450 53.524 54.000 -0.044 0.000 1.085 56 D CB 0.043 40.836 40.800 -0.011 0.000 1.134 56 D HN 0.676 nan 8.370 nan 0.000 0.583 57 G N -1.248 107.540 108.800 -0.020 0.000 3.124 57 G HA2 0.023 3.983 3.960 -0.000 0.000 0.212 57 G HA3 0.023 3.983 3.960 -0.000 0.000 0.212 57 G C 0.470 175.312 174.900 -0.098 0.000 1.181 57 G CA -0.343 44.717 45.100 -0.066 0.000 0.803 57 G HN 0.208 nan 8.290 nan 0.000 0.529 58 R N -1.688 118.786 120.500 -0.042 0.000 2.582 58 R HA 0.459 4.799 4.340 -0.000 0.000 0.271 58 R C 1.962 178.230 176.300 -0.055 0.000 1.078 58 R CA 0.091 56.170 56.100 -0.035 0.000 1.127 58 R CB 0.706 31.030 30.300 0.040 0.000 1.038 58 R HN 0.063 nan 8.270 nan 0.000 0.500 59 L N 1.161 122.352 121.223 -0.053 0.000 2.083 59 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 59 L C 2.212 179.063 176.870 -0.033 0.000 1.083 59 L CA 2.457 57.268 54.840 -0.048 0.000 0.752 59 L CB -1.687 40.348 42.059 -0.041 0.000 0.899 59 L HN 0.896 nan 8.230 nan 0.000 0.433 60 S N -0.869 114.816 115.700 -0.024 0.000 2.515 60 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 60 S C 2.231 176.812 174.600 -0.032 0.000 0.987 60 S CA 0.954 59.139 58.200 -0.024 0.000 0.936 60 S CB -0.947 62.240 63.200 -0.022 0.000 0.766 60 S HN 0.942 nan 8.310 nan 0.000 0.528 61 G N 3.290 112.066 108.800 -0.040 0.000 2.529 61 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 61 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 61 G C -0.605 174.274 174.900 -0.035 0.000 1.177 61 G CA 1.126 46.197 45.100 -0.047 0.000 0.773 61 G HN 0.516 nan 8.290 nan 0.000 0.573 62 P HA -0.018 nan 4.420 nan 0.000 0.215 62 P C 2.088 179.380 177.300 -0.013 0.000 1.157 62 P CA 2.716 65.803 63.100 -0.022 0.000 0.874 62 P CB -0.280 31.405 31.700 -0.024 0.000 0.790 63 E N 0.124 120.317 120.200 -0.012 0.000 2.007 63 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 63 E C 2.040 178.646 176.600 0.010 0.000 0.999 63 E CA 1.621 58.019 56.400 -0.003 0.000 0.811 63 E CB -1.730 27.968 29.700 -0.004 0.000 0.762 63 E HN 0.185 nan 8.360 nan 0.000 0.450 64 L N -0.007 121.221 121.223 0.009 0.000 2.141 64 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 64 L C 2.798 179.702 176.870 0.056 0.000 1.094 64 L CA 1.043 55.906 54.840 0.037 0.000 0.763 64 L CB -0.265 41.799 42.059 0.008 0.000 0.908 64 L HN 0.324 nan 8.230 nan 0.000 0.437 65 V N 0.715 120.642 119.914 0.022 0.000 2.515 65 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 65 V C 3.004 179.122 176.094 0.040 0.000 1.058 65 V CA 2.293 64.612 62.300 0.032 0.000 1.064 65 V CB -0.246 31.576 31.823 -0.001 0.000 0.675 65 V HN 0.512 nan 8.190 nan 0.000 0.461 66 K N -1.311 119.105 120.400 0.028 0.000 2.097 66 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 66 K C 1.898 178.526 176.600 0.047 0.000 1.049 66 K CA 1.750 58.052 56.287 0.026 0.000 0.933 66 K CB -0.619 31.889 32.500 0.013 0.000 0.717 66 K HN 0.598 nan 8.250 nan 0.000 0.442 67 Q N -0.402 119.438 119.800 0.066 0.000 2.083 67 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 67 Q C 2.268 178.327 176.000 0.099 0.000 0.969 67 Q CA 1.307 57.174 55.803 0.106 0.000 0.838 67 Q CB -0.560 28.244 28.738 0.111 0.000 0.900 67 Q HN 0.502 nan 8.270 nan 0.000 0.436 68 L N 0.852 122.138 121.223 0.104 0.000 1.990 68 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 68 L C 2.133 179.013 176.870 0.016 0.000 1.072 68 L CA 1.667 56.559 54.840 0.086 0.000 0.755 68 L CB -0.773 41.409 42.059 0.206 0.000 0.889 68 L HN 0.141 nan 8.230 nan 0.000 0.432 69 I N -0.875 119.714 120.570 0.032 0.000 2.163 69 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 69 I C 2.585 178.703 176.117 0.002 0.000 1.085 69 I CA 1.562 62.869 61.300 0.012 0.000 1.347 69 I CB -0.302 37.708 38.000 0.016 0.000 1.044 69 I HN 0.420 nan 8.210 nan 0.000 0.408 70 Q N 1.013 120.834 119.800 0.034 0.000 2.124 70 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 70 Q C 2.089 178.099 176.000 0.018 0.000 0.977 70 Q CA 1.983 57.831 55.803 0.074 0.000 0.850 70 Q CB -0.617 28.212 28.738 0.151 0.000 0.901 70 Q HN 0.501 nan 8.270 nan 0.000 0.429 71 G N 0.107 108.791 108.800 -0.194 0.000 2.418 71 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.217 71 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.217 71 G C 1.316 176.041 174.900 -0.291 0.000 1.158 71 G CA 0.892 45.622 45.100 -0.617 0.000 0.771 71 G HN 0.375 nan 8.290 nan 0.000 0.545 72 L N 0.116 121.248 121.223 -0.153 0.000 2.017 72 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 72 L C 2.996 179.833 176.870 -0.055 0.000 1.073 72 L CA 0.542 55.331 54.840 -0.085 0.000 0.745 72 L CB -0.580 41.451 42.059 -0.046 0.000 0.894 72 L HN 0.074 nan 8.230 nan 0.000 0.432 73 V N -0.356 119.536 119.914 -0.036 0.000 2.407 73 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 73 V C 1.697 177.789 176.094 -0.004 0.000 1.055 73 V CA 1.736 64.028 62.300 -0.012 0.000 1.049 73 V CB -0.524 31.300 31.823 0.001 0.000 0.662 73 V HN 0.424 nan 8.190 nan 0.000 0.455 74 D N -1.300 119.097 120.400 -0.006 0.000 2.378 74 D HA -0.046 4.594 4.640 -0.000 0.000 0.227 74 D C 1.714 178.019 176.300 0.009 0.000 1.012 74 D CA 0.634 54.647 54.000 0.021 0.000 0.905 74 D CB -0.135 40.709 40.800 0.072 0.000 0.895 74 D HN 0.463 nan 8.370 nan 0.000 0.532 75 C N -0.944 118.347 119.300 -0.015 0.000 2.673 75 C HA 0.373 4.833 4.460 -0.000 0.000 0.264 75 C C 1.854 176.845 174.990 0.001 0.000 1.304 75 C CA 0.422 59.437 59.018 -0.005 0.000 1.727 75 C CB -0.357 27.371 27.740 -0.020 0.000 1.932 75 C HN 0.514 nan 8.230 nan 0.000 0.563 76 G N -0.429 108.371 108.800 -0.000 0.000 2.144 76 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 76 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 76 G C 0.029 174.927 174.900 -0.003 0.000 0.988 76 G CA -0.003 45.098 45.100 0.001 0.000 0.659 76 G HN 0.474 nan 8.290 nan 0.000 0.522 77 C N 0.745 120.040 119.300 -0.009 0.000 2.605 77 C HA 0.741 5.201 4.460 -0.000 0.000 0.404 77 C C 1.065 176.050 174.990 -0.008 0.000 1.284 77 C CA 0.710 59.722 59.018 -0.010 0.000 2.199 77 C CB 0.658 28.389 27.740 -0.015 0.000 2.647 77 C HN 1.058 nan 8.230 nan 0.000 0.604 78 Q N 1.928 121.723 119.800 -0.008 0.000 2.421 78 Q HA 0.517 4.856 4.340 -0.000 0.000 0.242 78 Q C -0.683 175.311 176.000 -0.010 0.000 1.024 78 Q CA -0.193 55.605 55.803 -0.008 0.000 0.891 78 Q CB 0.527 29.260 28.738 -0.008 0.000 1.222 78 Q HN 0.723 nan 8.270 nan 0.000 0.483 79 V N 2.114 122.023 119.914 -0.009 0.000 2.465 79 V HA 0.425 4.544 4.120 -0.000 0.000 0.279 79 V C 0.345 176.433 176.094 -0.010 0.000 1.045 79 V CA -0.465 61.830 62.300 -0.009 0.000 0.938 79 V CB 1.841 33.660 31.823 -0.006 0.000 0.986 79 V HN 0.854 nan 8.190 nan 0.000 0.467 80 S N 3.387 119.079 115.700 -0.012 0.000 2.423 80 S HA 0.218 4.688 4.470 -0.000 0.000 0.317 80 S C -0.341 174.250 174.600 -0.014 0.000 1.065 80 S CA -0.478 57.713 58.200 -0.015 0.000 1.111 80 S CB 0.488 63.676 63.200 -0.021 0.000 0.968 80 S HN 0.820 nan 8.310 nan 0.000 0.474 81 D N 2.980 123.372 120.400 -0.012 0.000 2.339 81 D HA 0.141 4.781 4.640 -0.000 0.000 0.241 81 D C 0.942 177.231 176.300 -0.018 0.000 1.183 81 D CA -0.508 53.484 54.000 -0.014 0.000 0.859 81 D CB 1.008 41.802 40.800 -0.011 0.000 1.067 81 D HN 0.345 nan 8.370 nan 0.000 0.484 82 V N 2.032 121.931 119.914 -0.025 0.000 3.596 82 V HA 0.467 4.587 4.120 -0.000 0.000 0.289 82 V C 1.213 177.283 176.094 -0.039 0.000 1.336 82 V CA 0.507 62.789 62.300 -0.030 0.000 1.137 82 V CB -0.641 31.161 31.823 -0.035 0.000 0.966 82 V HN 0.707 nan 8.190 nan 0.000 0.428 83 G N 1.089 109.867 108.800 -0.037 0.000 2.539 83 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.256 83 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.256 83 G C -0.135 174.732 174.900 -0.054 0.000 1.233 83 G CA 0.306 45.382 45.100 -0.041 0.000 0.936 83 G HN 0.753 nan 8.290 nan 0.000 0.571 84 M N 1.387 120.952 119.600 -0.058 0.000 2.077 84 M HA 0.545 5.024 4.480 -0.000 0.000 0.348 84 M C 0.241 176.490 176.300 -0.084 0.000 1.252 84 M CA -0.552 54.708 55.300 -0.067 0.000 1.096 84 M CB 0.244 32.808 32.600 -0.060 0.000 1.568 84 M HN 1.361 nan 8.290 nan 0.000 0.456 85 V N 3.264 123.115 119.914 -0.105 0.000 3.114 85 V HA 0.783 4.902 4.120 -0.000 0.000 0.308 85 V C -2.994 173.001 176.094 -0.164 0.000 1.168 85 V CA -2.281 59.932 62.300 -0.144 0.000 1.015 85 V CB 1.516 33.237 31.823 -0.169 0.000 1.050 85 V HN 0.620 nan 8.190 nan 0.000 0.433 86 P HA 0.258 nan 4.420 nan 0.000 0.269 86 P C 0.957 178.095 177.300 -0.270 0.000 1.215 86 P CA 0.271 63.249 63.100 -0.203 0.000 0.780 86 P CB 0.542 32.113 31.700 -0.214 0.000 0.898 87 T N 3.478 117.868 114.554 -0.274 0.000 2.653 87 T HA -0.113 4.236 4.350 -0.000 0.000 0.268 87 T C -0.785 173.475 174.700 -0.732 0.000 1.035 87 T CA 2.229 64.045 62.100 -0.472 0.000 1.154 87 T CB -1.739 66.886 68.868 -0.405 0.000 0.862 87 T HN 0.582 nan 8.240 nan 0.000 0.441 88 P HA 0.038 nan 4.420 nan 0.000 0.222 88 P C 1.499 178.623 177.300 -0.293 0.000 1.147 88 P CA 0.662 63.620 63.100 -0.236 0.000 0.790 88 P CB -0.217 31.655 31.700 0.287 0.000 0.780 89 V N 0.804 120.475 119.914 -0.406 0.000 2.548 89 V HA -0.147 3.972 4.120 -0.000 0.000 0.249 89 V C 2.607 178.560 176.094 -0.234 0.000 1.055 89 V CA 1.073 63.103 62.300 -0.450 0.000 1.065 89 V CB -1.093 30.366 31.823 -0.608 0.000 0.681 89 V HN 0.086 nan 8.190 nan 0.000 0.462 90 L N -0.438 120.600 121.223 -0.308 0.000 2.046 90 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 90 L C 2.578 179.335 176.870 -0.188 0.000 1.077 90 L CA 2.406 57.108 54.840 -0.230 0.000 0.747 90 L CB -0.890 41.021 42.059 -0.246 0.000 0.896 90 L HN 0.319 nan 8.230 nan 0.000 0.432 91 Y N -0.818 119.243 120.300 -0.398 0.000 2.224 91 Y HA -0.277 4.273 4.550 -0.000 0.000 0.289 91 Y C 2.661 178.116 175.900 -0.742 0.000 1.146 91 Y CA 1.079 58.793 58.100 -0.643 0.000 1.182 91 Y CB -1.554 36.220 38.460 -1.142 0.000 0.983 91 Y HN 0.266 nan 8.280 nan 0.000 0.524 92 Y N 0.551 120.448 120.300 -0.670 0.000 2.128 92 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 92 Y C 2.499 178.213 175.900 -0.310 0.000 1.154 92 Y CA 1.570 59.425 58.100 -0.408 0.000 1.149 92 Y CB -0.673 37.773 38.460 -0.025 0.000 0.976 92 Y HN 0.031 nan 8.280 nan 0.000 0.505 93 A N 0.543 123.248 122.820 -0.192 0.000 1.908 93 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 93 A C 2.330 179.769 177.584 -0.242 0.000 1.181 93 A CA 1.939 53.851 52.037 -0.209 0.000 0.627 93 A CB -1.508 17.444 19.000 -0.080 0.000 0.818 93 A HN 0.627 nan 8.150 nan 0.000 0.445 94 A N -0.708 121.996 122.820 -0.193 0.000 2.209 94 A HA -0.048 4.272 4.320 -0.000 0.000 0.212 94 A C 1.734 179.209 177.584 -0.182 0.000 1.158 94 A CA 1.123 53.075 52.037 -0.141 0.000 0.742 94 A CB -0.447 18.515 19.000 -0.064 0.000 0.790 94 A HN 0.633 nan 8.150 nan 0.000 0.472 95 N N -0.514 117.986 118.700 -0.332 0.000 2.388 95 N HA -0.010 4.730 4.740 -0.000 0.000 0.176 95 N C 1.378 176.668 175.510 -0.366 0.000 1.062 95 N CA 1.446 54.286 53.050 -0.350 0.000 0.895 95 N CB 0.668 38.820 38.487 -0.558 0.000 1.018 95 N HN 0.490 nan 8.380 nan 0.000 0.456 96 V N -1.925 117.694 119.914 -0.492 0.000 3.635 96 V HA 0.326 4.446 4.120 -0.000 0.000 0.266 96 V C 1.147 177.122 176.094 -0.197 0.000 1.316 96 V CA 0.001 62.088 62.300 -0.354 0.000 1.060 96 V CB -0.061 31.454 31.823 -0.513 0.000 0.820 96 V HN -0.085 nan 8.190 nan 0.000 0.447 97 L N 0.285 121.398 121.223 -0.182 0.000 2.600 97 L HA 0.565 4.905 4.340 -0.000 0.000 0.221 97 L C 2.501 179.327 176.870 -0.073 0.000 1.197 97 L CA 0.556 55.335 54.840 -0.102 0.000 0.838 97 L CB 0.038 42.044 42.059 -0.088 0.000 1.474 97 L HN 0.269 nan 8.230 nan 0.000 0.514 98 E N 0.345 120.516 120.200 -0.048 0.000 2.106 98 E HA 0.030 4.379 4.350 -0.000 0.000 0.192 98 E C 0.904 177.483 176.600 -0.035 0.000 0.984 98 E CA 0.998 57.378 56.400 -0.034 0.000 0.806 98 E CB -0.651 29.035 29.700 -0.023 0.000 0.750 98 E HN 0.773 nan 8.360 nan 0.000 0.458 99 G N -0.627 108.150 108.800 -0.039 0.000 2.412 99 G HA2 0.459 4.419 3.960 -0.000 0.000 0.318 99 G HA3 0.459 4.419 3.960 -0.000 0.000 0.318 99 G C 0.268 175.143 174.900 -0.042 0.000 1.146 99 G CA -0.417 44.663 45.100 -0.033 0.000 0.882 99 G HN 0.051 nan 8.290 nan 0.000 0.501 100 K N 0.567 120.949 120.400 -0.030 0.000 2.437 100 K HA 0.219 4.539 4.320 -0.000 0.000 0.205 100 K C 0.380 176.969 176.600 -0.018 0.000 1.026 100 K CA -0.053 56.217 56.287 -0.029 0.000 1.153 100 K CB 0.735 33.225 32.500 -0.017 0.000 0.863 100 K HN 0.266 nan 8.250 nan 0.000 0.502 101 S N 0.154 115.845 115.700 -0.014 0.000 2.549 101 S HA 0.759 5.229 4.470 -0.000 0.000 0.297 101 S C 0.093 174.697 174.600 0.006 0.000 1.115 101 S CA -0.689 57.512 58.200 0.001 0.000 1.059 101 S CB 2.088 65.290 63.200 0.003 0.000 1.046 101 S HN 0.380 nan 8.310 nan 0.000 0.506 102 G N 0.497 109.318 108.800 0.034 0.000 2.720 102 G HA2 0.579 4.538 3.960 -0.000 0.000 0.295 102 G HA3 0.579 4.538 3.960 -0.000 0.000 0.295 102 G C -1.863 173.092 174.900 0.091 0.000 1.437 102 G CA -0.474 44.655 45.100 0.048 0.000 0.886 102 G HN 0.630 nan 8.290 nan 0.000 0.509 103 V N 1.333 121.299 119.914 0.086 0.000 2.588 103 V HA 0.675 4.794 4.120 -0.000 0.000 0.304 103 V C -0.356 175.797 176.094 0.097 0.000 1.042 103 V CA -0.741 61.638 62.300 0.131 0.000 0.877 103 V CB 1.695 33.610 31.823 0.154 0.000 0.996 103 V HN 0.837 nan 8.190 nan 0.000 0.425 104 M N 5.680 125.339 119.600 0.098 0.000 2.167 104 M HA 0.576 5.056 4.480 -0.000 0.000 0.333 104 M C -1.178 175.114 176.300 -0.013 0.000 1.030 104 M CA -0.686 54.614 55.300 0.001 0.000 0.963 104 M CB 1.234 33.789 32.600 -0.074 0.000 1.589 104 M HN 0.610 nan 8.290 nan 0.000 0.431 105 L N 5.502 126.679 121.223 -0.078 0.000 2.342 105 L HA 0.625 4.965 4.340 -0.000 0.000 0.285 105 L C -0.646 176.111 176.870 -0.188 0.000 1.095 105 L CA 0.824 55.525 54.840 -0.231 0.000 0.843 105 L CB 0.284 42.219 42.059 -0.207 0.000 1.201 105 L HN 0.873 nan 8.230 nan 0.000 0.445 106 T N 2.171 116.605 114.554 -0.198 0.000 2.932 106 T HA 0.557 4.906 4.350 -0.000 0.000 0.318 106 T C 0.501 175.146 174.700 -0.091 0.000 1.265 106 T CA -0.075 61.959 62.100 -0.110 0.000 1.036 106 T CB 1.370 70.195 68.868 -0.071 0.000 1.209 106 T HN 0.560 nan 8.240 nan 0.000 0.484 107 G N 1.839 110.617 108.800 -0.038 0.000 3.159 107 G HA2 0.350 4.310 3.960 -0.000 0.000 0.232 107 G HA3 0.350 4.310 3.960 -0.000 0.000 0.232 107 G C 0.613 175.472 174.900 -0.069 0.000 1.116 107 G CA 0.787 45.878 45.100 -0.015 0.000 0.767 107 G HN 0.937 nan 8.290 nan 0.000 0.547 108 D N 0.812 121.182 120.400 -0.050 0.000 4.230 108 D HA -0.285 4.355 4.640 -0.000 0.000 0.138 108 D C 1.127 177.371 176.300 -0.094 0.000 0.772 108 D CA 1.913 55.872 54.000 -0.069 0.000 1.136 108 D CB -1.251 39.473 40.800 -0.127 0.000 0.547 108 D HN 0.494 nan 8.370 nan 0.000 0.537 109 H N 0.911 119.903 119.070 -0.129 0.000 2.581 109 H HA 0.422 4.978 4.556 -0.000 0.000 0.275 109 H C 0.374 175.534 175.328 -0.280 0.000 1.126 109 H CA -0.365 55.530 56.048 -0.254 0.000 1.097 109 H CB -0.772 28.882 29.762 -0.181 0.000 1.626 109 H HN 0.180 nan 8.280 nan 0.000 0.565 110 N N 2.584 121.068 118.700 -0.360 0.000 2.340 110 N HA 0.062 4.802 4.740 -0.000 0.000 0.236 110 N C -2.334 173.034 175.510 -0.238 0.000 1.296 110 N CA -1.139 51.676 53.050 -0.392 0.000 0.896 110 N CB 0.426 38.546 38.487 -0.612 0.000 1.127 110 N HN 0.153 nan 8.380 nan 0.000 0.442 111 P HA -0.012 nan 4.420 nan 0.000 0.270 111 P C -1.916 175.530 177.300 0.243 0.000 1.221 111 P CA -0.700 62.445 63.100 0.076 0.000 0.788 111 P CB -0.019 31.794 31.700 0.188 0.000 0.904 112 P HA -0.201 nan 4.420 nan 0.000 0.217 112 P C 1.039 178.467 177.300 0.213 0.000 1.151 112 P CA 2.361 65.643 63.100 0.303 0.000 0.849 112 P CB -0.812 31.025 31.700 0.229 0.000 0.787 113 D N -3.023 117.484 120.400 0.179 0.000 2.363 113 D HA -0.073 4.567 4.640 -0.000 0.000 0.220 113 D C 0.298 176.572 176.300 -0.043 0.000 0.994 113 D CA 0.249 54.271 54.000 0.037 0.000 0.890 113 D CB -0.905 39.866 40.800 -0.049 0.000 0.906 113 D HN 0.175 nan 8.370 nan 0.000 0.530 114 Y N -0.202 120.108 120.300 0.016 0.000 2.335 114 Y HA 0.560 5.110 4.550 -0.000 0.000 0.323 114 Y C 0.655 176.538 175.900 -0.028 0.000 1.224 114 Y CA -0.812 57.283 58.100 -0.009 0.000 1.241 114 Y CB 1.446 39.893 38.460 -0.021 0.000 1.235 114 Y HN 0.057 nan 8.280 nan 0.000 0.492 115 N N -0.790 117.959 118.700 0.082 0.000 3.039 115 N HA 0.719 5.459 4.740 -0.000 0.000 0.257 115 N C -0.841 174.606 175.510 -0.105 0.000 1.497 115 N CA 0.037 53.063 53.050 -0.040 0.000 0.861 115 N CB 2.196 40.616 38.487 -0.113 0.000 1.479 115 N HN 0.842 nan 8.380 nan 0.000 0.547 116 G N -0.710 107.901 108.800 -0.315 0.000 2.341 116 G HA2 0.518 4.477 3.960 -0.000 0.000 0.299 116 G HA3 0.518 4.477 3.960 -0.000 0.000 0.299 116 G C -2.221 172.306 174.900 -0.621 0.000 1.274 116 G CA -0.578 44.338 45.100 -0.307 0.000 0.853 116 G HN 0.251 nan 8.290 nan 0.000 0.493 117 F N 0.442 120.407 119.950 0.024 0.000 2.573 117 F HA 0.588 5.114 4.527 -0.000 0.000 0.316 117 F C 0.128 175.984 175.800 0.092 0.000 1.148 117 F CA -0.738 57.286 58.000 0.041 0.000 0.940 117 F CB 2.782 41.794 39.000 0.020 0.000 1.214 117 F HN 0.109 nan 8.300 nan 0.000 0.448 118 K N 4.530 125.089 120.400 0.266 0.000 2.274 118 K HA 0.761 5.081 4.320 -0.000 0.000 0.262 118 K C -1.180 175.601 176.600 0.302 0.000 0.961 118 K CA -0.560 55.913 56.287 0.309 0.000 0.833 118 K CB 2.182 34.880 32.500 0.329 0.000 1.102 118 K HN 0.526 nan 8.250 nan 0.000 0.436 119 I N 2.662 123.392 120.570 0.267 0.000 2.466 119 I HA 0.285 4.454 4.170 -0.000 0.000 0.289 119 I C -0.760 175.442 176.117 0.142 0.000 1.026 119 I CA -1.129 60.285 61.300 0.190 0.000 1.078 119 I CB 2.001 40.089 38.000 0.146 0.000 1.249 119 I HN 0.153 nan 8.210 nan 0.000 0.429 120 V N 6.697 126.677 119.914 0.111 0.000 2.495 120 V HA 0.533 4.652 4.120 -0.000 0.000 0.298 120 V C -0.271 175.847 176.094 0.040 0.000 1.031 120 V CA -0.726 61.605 62.300 0.052 0.000 0.871 120 V CB 2.080 33.913 31.823 0.017 0.000 0.988 120 V HN 0.425 nan 8.190 nan 0.000 0.432 121 V N 3.485 123.415 119.914 0.027 0.000 2.483 121 V HA 0.692 4.812 4.120 -0.000 0.000 0.297 121 V C 0.577 176.676 176.094 0.009 0.000 1.027 121 V CA -0.122 62.188 62.300 0.018 0.000 0.855 121 V CB 1.213 33.047 31.823 0.020 0.000 0.995 121 V HN 1.353 nan 8.190 nan 0.000 0.424 122 A N 3.915 126.737 122.820 0.003 0.000 2.745 122 A HA 0.057 4.377 4.320 -0.000 0.000 0.296 122 A C 1.738 179.322 177.584 -0.000 0.000 1.500 122 A CA 1.432 53.469 52.037 -0.001 0.000 0.766 122 A CB -1.513 17.487 19.000 -0.001 0.000 1.030 122 A HN 2.700 nan 8.150 nan 0.000 0.489 123 G N -3.680 105.120 108.800 -0.000 0.000 2.195 123 G HA2 0.399 4.358 3.960 -0.000 0.000 0.246 123 G HA3 0.399 4.358 3.960 -0.000 0.000 0.246 123 G C 0.319 175.221 174.900 0.003 0.000 0.984 123 G CA 1.451 46.552 45.100 0.003 0.000 0.633 123 G HN 2.578 nan 8.290 nan 0.000 0.525 124 E N 0.543 120.744 120.200 0.002 0.000 2.176 124 E HA 0.715 5.065 4.350 -0.000 0.000 0.267 124 E C -0.061 176.543 176.600 0.007 0.000 0.893 124 E CA 0.120 56.522 56.400 0.004 0.000 0.761 124 E CB 0.985 30.688 29.700 0.005 0.000 1.133 124 E HN 0.588 nan 8.360 nan 0.000 0.409 125 T N 3.514 118.070 114.554 0.003 0.000 2.761 125 T HA 0.344 4.693 4.350 -0.000 0.000 0.296 125 T C 0.624 175.344 174.700 0.034 0.000 0.934 125 T CA -0.268 61.841 62.100 0.015 0.000 1.091 125 T CB -0.274 68.594 68.868 0.000 0.000 0.896 125 T HN 0.447 nan 8.240 nan 0.000 0.515 126 L N 2.822 124.080 121.223 0.058 0.000 2.426 126 L HA 0.588 4.928 4.340 -0.000 0.000 0.271 126 L C 0.579 177.493 176.870 0.073 0.000 1.169 126 L CA -0.421 54.457 54.840 0.064 0.000 0.836 126 L CB 0.368 42.474 42.059 0.079 0.000 1.112 126 L HN 0.729 nan 8.230 nan 0.000 0.465 127 A N 2.173 125.034 122.820 0.068 0.000 2.609 127 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 127 A C -0.140 177.485 177.584 0.069 0.000 1.096 127 A CA -0.611 51.476 52.037 0.084 0.000 0.684 127 A CB 1.459 20.513 19.000 0.089 0.000 1.282 127 A HN 0.775 nan 8.150 nan 0.000 0.412 128 N N 0.585 119.323 118.700 0.063 0.000 1.347 128 N HA -0.268 4.472 4.740 -0.000 0.000 0.141 128 N C 1.313 176.840 175.510 0.029 0.000 0.677 128 N CA 1.944 55.013 53.050 0.032 0.000 1.016 128 N CB -0.764 37.733 38.487 0.017 0.000 1.268 128 N HN 1.014 nan 8.380 nan 0.000 0.487 129 E N 2.076 122.284 120.200 0.012 0.000 2.204 129 E HA -0.168 4.181 4.350 -0.000 0.000 0.195 129 E C 1.460 178.066 176.600 0.011 0.000 0.990 129 E CA 1.715 58.116 56.400 0.002 0.000 0.821 129 E CB -0.471 29.224 29.700 -0.008 0.000 0.750 129 E HN 0.718 nan 8.360 nan 0.000 0.477 130 Q N -0.096 119.720 119.800 0.027 0.000 2.172 130 Q HA -0.008 4.331 4.340 -0.000 0.000 0.200 130 Q C 2.221 178.254 176.000 0.055 0.000 0.964 130 Q CA 1.018 56.841 55.803 0.033 0.000 0.855 130 Q CB 0.069 28.830 28.738 0.037 0.000 0.918 130 Q HN 0.308 nan 8.270 nan 0.000 0.444 131 I N 0.599 121.220 120.570 0.085 0.000 2.406 131 I HA -0.180 3.989 4.170 -0.000 0.000 0.249 131 I C 2.071 178.273 176.117 0.141 0.000 1.122 131 I CA 1.034 62.428 61.300 0.157 0.000 1.431 131 I CB -0.955 37.162 38.000 0.195 0.000 1.087 131 I HN 0.248 nan 8.210 nan 0.000 0.424 132 Q N 0.977 120.806 119.800 0.048 0.000 2.170 132 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 132 Q C 2.403 178.329 176.000 -0.123 0.000 0.976 132 Q CA 1.632 57.394 55.803 -0.069 0.000 0.858 132 Q CB -0.535 28.173 28.738 -0.050 0.000 0.907 132 Q HN 0.522 nan 8.270 nan 0.000 0.433 133 A N 0.638 123.426 122.820 -0.054 0.000 2.019 133 A HA -0.110 4.209 4.320 -0.000 0.000 0.219 133 A C 2.208 179.753 177.584 -0.065 0.000 1.164 133 A CA 0.867 52.870 52.037 -0.056 0.000 0.644 133 A CB -0.559 18.427 19.000 -0.024 0.000 0.805 133 A HN 0.314 nan 8.150 nan 0.000 0.449 134 L N -1.136 120.066 121.223 -0.036 0.000 2.027 134 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 134 L C 2.755 179.556 176.870 -0.116 0.000 1.074 134 L CA 1.688 56.525 54.840 -0.005 0.000 0.745 134 L CB -0.533 41.605 42.059 0.132 0.000 0.898 134 L HN 0.470 nan 8.230 nan 0.000 0.433 135 R N 0.796 121.036 120.500 -0.434 0.000 2.083 135 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 135 R C 2.082 178.177 176.300 -0.343 0.000 1.137 135 R CA 1.852 57.517 56.100 -0.725 0.000 0.951 135 R CB -0.151 29.324 30.300 -1.375 0.000 0.851 135 R HN 0.401 nan 8.270 nan 0.000 0.434 136 E N -0.200 119.844 120.200 -0.260 0.000 2.110 136 E HA -0.190 4.159 4.350 -0.000 0.000 0.193 136 E C 2.251 178.780 176.600 -0.118 0.000 0.988 136 E CA 1.083 57.385 56.400 -0.163 0.000 0.804 136 E CB -0.017 29.608 29.700 -0.126 0.000 0.745 136 E HN 0.345 nan 8.360 nan 0.000 0.458 137 R N 0.329 120.771 120.500 -0.097 0.000 2.081 137 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 137 R C 2.382 178.638 176.300 -0.073 0.000 1.131 137 R CA 1.144 57.207 56.100 -0.063 0.000 0.960 137 R CB -0.252 30.029 30.300 -0.031 0.000 0.856 137 R HN 0.205 nan 8.270 nan 0.000 0.436 138 I N 0.620 121.138 120.570 -0.086 0.000 2.179 138 I HA -0.260 3.909 4.170 -0.000 0.000 0.242 138 I C 2.091 178.096 176.117 -0.186 0.000 1.088 138 I CA 1.476 62.701 61.300 -0.125 0.000 1.357 138 I CB -0.299 37.651 38.000 -0.085 0.000 1.051 138 I HN 0.208 nan 8.210 nan 0.000 0.409 139 E N 1.013 121.117 120.200 -0.160 0.000 2.051 139 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 139 E C 2.029 178.552 176.600 -0.128 0.000 0.991 139 E CA 1.232 57.544 56.400 -0.148 0.000 0.799 139 E CB -0.068 29.554 29.700 -0.131 0.000 0.748 139 E HN 0.423 nan 8.360 nan 0.000 0.449 140 K N 0.510 120.846 120.400 -0.107 0.000 2.432 140 K HA -0.024 4.296 4.320 -0.000 0.000 0.196 140 K C 0.383 176.935 176.600 -0.080 0.000 1.038 140 K CA 0.208 56.446 56.287 -0.083 0.000 0.986 140 K CB -0.146 32.314 32.500 -0.066 0.000 0.782 140 K HN 0.166 nan 8.250 nan 0.000 0.485 141 N N 1.811 120.449 118.700 -0.103 0.000 2.721 141 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 141 N C -1.022 174.465 175.510 -0.038 0.000 1.072 141 N CA 0.152 53.150 53.050 -0.087 0.000 0.710 141 N CB -0.657 37.776 38.487 -0.090 0.000 0.993 141 N HN 0.143 nan 8.380 nan 0.000 0.547 142 D N 1.374 121.753 120.400 -0.035 0.000 2.713 142 D HA 0.290 4.929 4.640 -0.000 0.000 0.229 142 D C -0.487 175.814 176.300 0.001 0.000 1.136 142 D CA 0.106 54.096 54.000 -0.017 0.000 1.010 142 D CB -0.132 40.653 40.800 -0.025 0.000 1.084 142 D HN 0.340 nan 8.370 nan 0.000 0.495 143 L N 1.227 122.463 121.223 0.021 0.000 2.386 143 L HA 0.654 4.993 4.340 -0.000 0.000 0.271 143 L C 0.407 177.306 176.870 0.049 0.000 0.993 143 L CA -1.339 53.531 54.840 0.050 0.000 0.819 143 L CB 1.949 44.074 42.059 0.109 0.000 1.294 143 L HN 0.087 nan 8.230 nan 0.000 0.414 144 A N 2.074 124.916 122.820 0.038 0.000 2.386 144 A HA 0.646 4.966 4.320 -0.000 0.000 0.248 144 A C -0.094 177.517 177.584 0.045 0.000 1.082 144 A CA -0.058 51.998 52.037 0.031 0.000 0.789 144 A CB 0.374 19.383 19.000 0.016 0.000 1.025 144 A HN 0.644 nan 8.150 nan 0.000 0.490 145 S N -0.329 115.396 115.700 0.041 0.000 2.557 145 S HA 0.836 5.305 4.470 -0.000 0.000 0.291 145 S C 0.002 174.620 174.600 0.031 0.000 1.116 145 S CA 0.012 58.240 58.200 0.047 0.000 0.992 145 S CB 1.887 65.122 63.200 0.058 0.000 1.028 145 S HN 1.683 nan 8.310 nan 0.000 0.484 146 G N 0.351 109.167 108.800 0.028 0.000 2.506 146 G HA2 0.486 4.446 3.960 -0.000 0.000 0.292 146 G HA3 0.486 4.446 3.960 -0.000 0.000 0.292 146 G C -1.947 172.963 174.900 0.018 0.000 1.425 146 G CA -0.520 44.591 45.100 0.019 0.000 0.788 146 G HN 0.598 nan 8.290 nan 0.000 0.490 147 V N 1.735 121.657 119.914 0.013 0.000 2.259 147 V HA 0.602 4.722 4.120 -0.000 0.000 0.267 147 V C 1.207 177.305 176.094 0.006 0.000 1.051 147 V CA 0.289 62.596 62.300 0.011 0.000 0.830 147 V CB 0.339 32.168 31.823 0.009 0.000 1.080 147 V HN 1.074 nan 8.190 nan 0.000 0.467 148 G N 3.625 112.428 108.800 0.005 0.000 2.553 148 G HA2 0.580 4.540 3.960 -0.000 0.000 0.278 148 G HA3 0.580 4.540 3.960 -0.000 0.000 0.278 148 G C 0.002 174.903 174.900 0.000 0.000 1.349 148 G CA 0.091 45.191 45.100 0.001 0.000 1.037 148 G HN 0.814 nan 8.290 nan 0.000 0.508 149 S N -2.354 113.345 115.700 -0.002 0.000 2.569 149 S HA 0.692 5.162 4.470 -0.000 0.000 0.280 149 S C -1.188 173.410 174.600 -0.003 0.000 1.111 149 S CA -0.744 57.454 58.200 -0.002 0.000 0.887 149 S CB 2.091 65.289 63.200 -0.003 0.000 1.095 149 S HN 0.677 nan 8.310 nan 0.000 0.476 150 V N 0.810 120.722 119.914 -0.003 0.000 2.540 150 V HA 0.877 4.997 4.120 -0.000 0.000 0.302 150 V C 0.084 176.175 176.094 -0.005 0.000 1.035 150 V CA -0.290 62.008 62.300 -0.004 0.000 0.873 150 V CB 1.009 32.830 31.823 -0.003 0.000 0.992 150 V HN 1.203 nan 8.190 nan 0.000 0.428 151 E N 3.160 123.356 120.200 -0.006 0.000 2.210 151 E HA 0.624 4.974 4.350 -0.000 0.000 0.266 151 E C -0.660 175.936 176.600 -0.007 0.000 0.883 151 E CA -0.979 55.417 56.400 -0.006 0.000 0.761 151 E CB 1.576 31.272 29.700 -0.007 0.000 1.156 151 E HN 0.613 nan 8.360 nan 0.000 0.412 152 Q N 0.756 120.552 119.800 -0.007 0.000 2.293 152 Q HA 0.402 4.742 4.340 -0.000 0.000 0.263 152 Q C -0.448 175.549 176.000 -0.006 0.000 1.002 152 Q CA -0.285 55.513 55.803 -0.008 0.000 0.910 152 Q CB 1.267 30.000 28.738 -0.008 0.000 1.185 152 Q HN 0.439 nan 8.270 nan 0.000 0.401 153 V N 2.514 122.424 119.914 -0.007 0.000 2.487 153 V HA 0.153 4.273 4.120 -0.000 0.000 0.298 153 V C -0.407 175.688 176.094 0.001 0.000 1.028 153 V CA -0.913 61.386 62.300 -0.002 0.000 0.860 153 V CB 2.077 33.898 31.823 -0.003 0.000 0.991 153 V HN 0.585 nan 8.190 nan 0.000 0.427 154 D N 3.383 123.788 120.400 0.009 0.000 2.456 154 D HA 0.315 4.954 4.640 -0.000 0.000 0.219 154 D C 0.344 176.666 176.300 0.036 0.000 1.126 154 D CA -0.160 53.846 54.000 0.010 0.000 0.890 154 D CB 1.261 42.064 40.800 0.005 0.000 1.025 154 D HN 0.412 nan 8.370 nan 0.000 0.511 155 I N 3.957 124.553 120.570 0.043 0.000 3.462 155 I HA 0.102 4.272 4.170 -0.000 0.000 0.290 155 I C 2.305 178.504 176.117 0.136 0.000 1.236 155 I CA 0.498 61.860 61.300 0.105 0.000 1.418 155 I CB -0.114 37.946 38.000 0.101 0.000 1.102 155 I HN 0.416 nan 8.210 nan 0.000 0.441 156 L N 0.837 122.098 121.223 0.063 0.000 2.012 156 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 156 L C 0.266 177.230 176.870 0.157 0.000 1.073 156 L CA 2.605 57.489 54.840 0.073 0.000 0.748 156 L CB -3.326 38.734 42.059 0.001 0.000 0.891 156 L HN 0.224 nan 8.230 nan 0.000 0.431 157 P HA -0.120 nan 4.420 nan 0.000 0.218 157 P C 1.989 179.417 177.300 0.214 0.000 1.148 157 P CA 2.318 65.475 63.100 0.096 0.000 0.822 157 P CB -0.236 31.481 31.700 0.029 0.000 0.784 158 R N -0.730 119.905 120.500 0.224 0.000 2.062 158 R HA -0.176 4.164 4.340 -0.000 0.000 0.229 158 R C 2.289 178.750 176.300 0.269 0.000 1.128 158 R CA 1.871 58.136 56.100 0.276 0.000 0.960 158 R CB -2.426 28.073 30.300 0.331 0.000 0.855 158 R HN 0.258 nan 8.270 nan 0.000 0.432 159 Y N 0.011 120.308 120.300 -0.005 0.000 2.097 159 Y HA -0.208 4.342 4.550 -0.000 0.000 0.282 159 Y C 2.151 178.033 175.900 -0.029 0.000 1.152 159 Y CA 2.304 60.171 58.100 -0.388 0.000 1.136 159 Y CB -0.570 37.664 38.460 -0.377 0.000 0.975 159 Y HN 0.322 nan 8.280 nan 0.000 0.498 160 F N 1.260 121.268 119.950 0.098 0.000 2.095 160 F HA -0.224 4.302 4.527 -0.000 0.000 0.298 160 F C 2.397 178.188 175.800 -0.015 0.000 1.104 160 F CA 3.150 61.173 58.000 0.038 0.000 1.232 160 F CB -0.802 38.250 39.000 0.086 0.000 0.987 160 F HN 0.026 nan 8.300 nan 0.000 0.475 161 K N 0.065 120.628 120.400 0.271 0.000 2.097 161 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 161 K C 1.847 178.481 176.600 0.056 0.000 1.050 161 K CA 1.489 57.865 56.287 0.149 0.000 0.938 161 K CB -1.234 31.394 32.500 0.213 0.000 0.718 161 K HN 0.544 nan 8.250 nan 0.000 0.442 162 Q N 0.318 120.170 119.800 0.086 0.000 2.045 162 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 162 Q C 1.991 178.041 176.000 0.083 0.000 0.991 162 Q CA 2.359 58.248 55.803 0.143 0.000 0.851 162 Q CB -0.306 28.581 28.738 0.247 0.000 0.911 162 Q HN 0.681 nan 8.270 nan 0.000 0.418 163 I N -0.469 120.061 120.570 -0.066 0.000 2.133 163 I HA -0.246 3.924 4.170 -0.000 0.000 0.238 163 I C 2.669 178.683 176.117 -0.172 0.000 1.074 163 I CA 1.308 62.523 61.300 -0.140 0.000 1.342 163 I CB -0.495 37.314 38.000 -0.319 0.000 1.053 163 I HN 0.255 nan 8.210 nan 0.000 0.404 164 R N 1.107 121.451 120.500 -0.260 0.000 2.096 164 R HA -0.235 4.105 4.340 -0.000 0.000 0.240 164 R C 1.665 177.886 176.300 -0.131 0.000 1.139 164 R CA 2.254 58.200 56.100 -0.257 0.000 0.952 164 R CB -0.256 29.817 30.300 -0.377 0.000 0.854 164 R HN 0.320 nan 8.270 nan 0.000 0.436 165 D N -0.341 120.017 120.400 -0.071 0.000 2.312 165 D HA -0.103 4.537 4.640 -0.000 0.000 0.211 165 D C 0.872 177.161 176.300 -0.019 0.000 0.964 165 D CA 1.042 55.028 54.000 -0.024 0.000 0.877 165 D CB -0.087 40.723 40.800 0.016 0.000 0.924 165 D HN 0.319 nan 8.370 nan 0.000 0.515 166 D N -0.864 119.521 120.400 -0.024 0.000 2.369 166 D HA 0.039 4.679 4.640 -0.000 0.000 0.211 166 D C -0.079 176.181 176.300 -0.066 0.000 1.077 166 D CA -0.041 53.949 54.000 -0.017 0.000 0.842 166 D CB 0.565 41.386 40.800 0.034 0.000 0.947 166 D HN -0.084 nan 8.370 nan 0.000 0.509 167 I N 1.542 122.049 120.570 -0.105 0.000 2.359 167 I HA 0.507 4.676 4.170 -0.000 0.000 0.294 167 I C -0.209 175.845 176.117 -0.105 0.000 0.987 167 I CA -0.869 60.346 61.300 -0.143 0.000 1.225 167 I CB 1.201 39.079 38.000 -0.204 0.000 1.366 167 I HN -0.099 nan 8.210 nan 0.000 0.466 168 A N 8.037 130.802 122.820 -0.093 0.000 2.545 168 A HA 0.632 4.952 4.320 -0.000 0.000 0.300 168 A C -0.251 177.294 177.584 -0.064 0.000 1.252 168 A CA -0.608 51.389 52.037 -0.067 0.000 0.753 168 A CB 0.565 19.535 19.000 -0.051 0.000 1.144 168 A HN 0.706 nan 8.150 nan 0.000 0.457 169 M N 1.819 121.381 119.600 -0.063 0.000 2.235 169 M HA 0.344 4.824 4.480 -0.000 0.000 0.351 169 M C 1.391 177.668 176.300 -0.039 0.000 1.178 169 M CA -0.013 55.256 55.300 -0.052 0.000 1.143 169 M CB 1.611 34.181 32.600 -0.051 0.000 1.530 169 M HN 0.741 nan 8.290 nan 0.000 0.461 170 A N 3.564 126.364 122.820 -0.034 0.000 1.871 170 A HA 0.028 4.348 4.320 -0.000 0.000 0.211 170 A C 0.725 178.295 177.584 -0.024 0.000 1.207 170 A CA 0.928 52.949 52.037 -0.028 0.000 0.620 170 A CB 0.120 19.104 19.000 -0.027 0.000 0.860 170 A HN 0.807 nan 8.150 nan 0.000 0.450 171 K N 0.362 120.748 120.400 -0.023 0.000 2.221 171 K HA 0.582 4.902 4.320 -0.000 0.000 0.243 171 K C -3.175 173.414 176.600 -0.018 0.000 0.968 171 K CA -2.099 54.176 56.287 -0.019 0.000 0.846 171 K CB 1.687 34.176 32.500 -0.019 0.000 1.141 171 K HN -0.004 nan 8.250 nan 0.000 0.434 172 P HA 0.177 nan 4.420 nan 0.000 0.275 172 P C -1.051 176.243 177.300 -0.010 0.000 1.228 172 P CA -0.238 62.855 63.100 -0.012 0.000 0.786 172 P CB 0.803 32.497 31.700 -0.009 0.000 0.927 173 M N 1.449 121.044 119.600 -0.008 0.000 2.457 173 M HA 0.370 4.850 4.480 -0.000 0.000 0.300 173 M C -0.044 176.256 176.300 -0.001 0.000 1.141 173 M CA -0.765 54.532 55.300 -0.004 0.000 0.901 173 M CB 3.295 35.893 32.600 -0.004 0.000 1.687 173 M HN 0.207 nan 8.290 nan 0.000 0.449 174 K N 2.357 122.757 120.400 0.001 0.000 2.213 174 K HA 0.685 5.004 4.320 -0.000 0.000 0.270 174 K C -1.770 174.832 176.600 0.003 0.000 1.002 174 K CA -0.461 55.828 56.287 0.002 0.000 0.868 174 K CB 1.069 33.569 32.500 0.000 0.000 1.093 174 K HN 0.554 nan 8.250 nan 0.000 0.454 175 V N 4.521 124.438 119.914 0.006 0.000 2.638 175 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 175 V C -0.569 175.528 176.094 0.006 0.000 1.052 175 V CA -1.117 61.187 62.300 0.007 0.000 0.885 175 V CB 1.813 33.646 31.823 0.016 0.000 0.999 175 V HN 0.523 nan 8.190 nan 0.000 0.424 176 V N 4.950 124.860 119.914 -0.005 0.000 2.498 176 V HA 0.429 4.549 4.120 -0.000 0.000 0.279 176 V C -0.069 176.026 176.094 0.002 0.000 1.048 176 V CA -0.335 61.959 62.300 -0.010 0.000 0.967 176 V CB 1.584 33.391 31.823 -0.026 0.000 0.988 176 V HN 0.616 nan 8.190 nan 0.000 0.473 177 V N 4.048 123.977 119.914 0.026 0.000 2.409 177 V HA 0.396 4.516 4.120 -0.000 0.000 0.290 177 V C -0.604 175.544 176.094 0.090 0.000 1.017 177 V CA -0.507 61.843 62.300 0.084 0.000 0.841 177 V CB 1.760 33.677 31.823 0.157 0.000 1.003 177 V HN 0.908 nan 8.190 nan 0.000 0.426 178 D N 3.419 123.879 120.400 0.101 0.000 2.381 178 D HA 0.319 4.959 4.640 -0.000 0.000 0.235 178 D C 0.335 176.786 176.300 0.251 0.000 1.068 178 D CA -0.251 53.845 54.000 0.161 0.000 0.832 178 D CB 1.856 42.767 40.800 0.184 0.000 1.101 178 D HN 0.523 nan 8.370 nan 0.000 0.515 179 C N 2.208 121.668 119.300 0.268 0.000 2.906 179 C HA 0.374 4.834 4.460 -0.000 0.000 0.274 179 C C 1.618 176.739 174.990 0.218 0.000 1.257 179 C CA 0.120 59.305 59.018 0.278 0.000 1.695 179 C CB -0.771 27.096 27.740 0.211 0.000 1.958 179 C HN 0.893 nan 8.230 nan 0.000 0.619 180 G N 2.373 111.291 108.800 0.196 0.000 2.283 180 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.280 180 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.280 180 G C 0.186 175.130 174.900 0.073 0.000 1.029 180 G CA 0.761 45.826 45.100 -0.057 0.000 0.840 180 G HN 0.745 nan 8.290 nan 0.000 0.505 181 N N -2.244 116.539 118.700 0.139 0.000 2.714 181 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 181 N C 1.155 176.742 175.510 0.130 0.000 1.117 181 N CA 1.240 54.350 53.050 0.100 0.000 0.719 181 N CB -0.957 37.539 38.487 0.016 0.000 1.081 181 N HN 1.330 nan 8.380 nan 0.000 0.557 182 G N -0.921 108.017 108.800 0.231 0.000 2.535 182 G HA2 0.423 4.383 3.960 -0.000 0.000 0.303 182 G HA3 0.423 4.383 3.960 -0.000 0.000 0.303 182 G C 0.873 175.834 174.900 0.101 0.000 1.237 182 G CA -0.237 45.020 45.100 0.262 0.000 0.986 182 G HN 0.134 nan 8.290 nan 0.000 0.494 183 V N 0.568 120.522 119.914 0.067 0.000 3.141 183 V HA 0.026 4.145 4.120 -0.000 0.000 0.265 183 V C 2.744 178.816 176.094 -0.036 0.000 1.126 183 V CA 2.097 64.394 62.300 -0.005 0.000 1.141 183 V CB -0.658 31.147 31.823 -0.030 0.000 0.743 183 V HN 0.816 nan 8.190 nan 0.000 0.492 184 A N 0.098 122.901 122.820 -0.028 0.000 2.070 184 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 184 A C 2.293 179.822 177.584 -0.092 0.000 1.159 184 A CA 1.512 53.476 52.037 -0.122 0.000 0.656 184 A CB -1.007 17.882 19.000 -0.185 0.000 0.800 184 A HN 0.639 nan 8.150 nan 0.000 0.453 185 G N 0.026 108.817 108.800 -0.014 0.000 2.462 185 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.220 185 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.220 185 G C 1.489 176.381 174.900 -0.013 0.000 1.121 185 G CA 1.469 46.572 45.100 0.005 0.000 0.758 185 G HN 1.046 nan 8.290 nan 0.000 0.559 186 V N -2.187 117.707 119.914 -0.033 0.000 2.913 186 V HA 0.227 4.347 4.120 -0.000 0.000 0.260 186 V C 1.903 177.984 176.094 -0.021 0.000 1.098 186 V CA 1.859 64.138 62.300 -0.036 0.000 1.121 186 V CB -0.088 31.703 31.823 -0.053 0.000 0.714 186 V HN 0.385 nan 8.190 nan 0.000 0.487 187 I N -1.975 118.586 120.570 -0.015 0.000 5.285 187 I HA 0.387 4.557 4.170 -0.000 0.000 0.351 187 I C 2.179 178.331 176.117 0.058 0.000 1.206 187 I CA 0.806 62.138 61.300 0.053 0.000 1.527 187 I CB 0.086 38.134 38.000 0.080 0.000 1.694 187 I HN 0.110 nan 8.210 nan 0.000 0.585 188 A N 2.140 124.922 122.820 -0.063 0.000 1.898 188 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 188 A C -0.535 177.063 177.584 0.023 0.000 1.181 188 A CA 1.630 53.595 52.037 -0.119 0.000 0.620 188 A CB -1.779 16.918 19.000 -0.504 0.000 0.819 188 A HN 0.332 nan 8.150 nan 0.000 0.442 189 P HA -0.130 nan 4.420 nan 0.000 0.216 189 P C 1.238 178.590 177.300 0.087 0.000 1.153 189 P CA 1.379 64.525 63.100 0.077 0.000 0.848 189 P CB -0.061 31.677 31.700 0.062 0.000 0.787 190 Q N -0.916 118.950 119.800 0.112 0.000 2.079 190 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 190 Q C 2.074 178.248 176.000 0.289 0.000 0.974 190 Q CA 1.038 56.951 55.803 0.184 0.000 0.840 190 Q CB -1.272 27.573 28.738 0.177 0.000 0.898 190 Q HN 0.137 nan 8.270 nan 0.000 0.430 191 L N 0.297 121.670 121.223 0.249 0.000 2.017 191 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 191 L C 1.865 178.691 176.870 -0.072 0.000 1.073 191 L CA 1.634 56.475 54.840 0.002 0.000 0.745 191 L CB -0.494 41.538 42.059 -0.046 0.000 0.894 191 L HN 0.249 nan 8.230 nan 0.000 0.432 192 I N -0.371 120.199 120.570 -0.000 0.000 2.226 192 I HA -0.301 3.868 4.170 -0.000 0.000 0.245 192 I C 2.564 178.680 176.117 -0.002 0.000 1.100 192 I CA 1.670 62.968 61.300 -0.003 0.000 1.374 192 I CB -0.377 37.654 38.000 0.052 0.000 1.057 192 I HN 0.458 nan 8.210 nan 0.000 0.413 193 E N 1.291 121.510 120.200 0.032 0.000 2.085 193 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 193 E C 2.224 178.838 176.600 0.023 0.000 0.994 193 E CA 1.388 57.809 56.400 0.034 0.000 0.801 193 E CB -0.055 29.679 29.700 0.057 0.000 0.743 193 E HN 0.501 nan 8.360 nan 0.000 0.453 194 A N 0.790 123.627 122.820 0.029 0.000 2.070 194 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 194 A C 2.075 179.615 177.584 -0.072 0.000 1.159 194 A CA 0.732 52.772 52.037 0.005 0.000 0.656 194 A CB -0.439 18.559 19.000 -0.003 0.000 0.800 194 A HN 0.309 nan 8.150 nan 0.000 0.453 195 L N -1.704 119.462 121.223 -0.096 0.000 2.376 195 L HA 0.118 4.458 4.340 -0.000 0.000 0.219 195 L C 1.598 178.433 176.870 -0.058 0.000 1.133 195 L CA 0.739 55.520 54.840 -0.099 0.000 0.816 195 L CB -0.263 41.729 42.059 -0.112 0.000 0.933 195 L HN 0.582 nan 8.230 nan 0.000 0.449 196 G N -1.191 107.589 108.800 -0.034 0.000 2.147 196 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.128 196 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.128 196 G C -0.114 174.778 174.900 -0.014 0.000 1.026 196 G CA -0.440 44.648 45.100 -0.020 0.000 0.693 196 G HN 0.221 nan 8.290 nan 0.000 0.499 197 C N 0.552 119.846 119.300 -0.009 0.000 2.399 197 C HA 0.840 5.300 4.460 -0.000 0.000 0.348 197 C C 0.937 175.931 174.990 0.007 0.000 1.183 197 C CA -0.393 58.624 59.018 -0.002 0.000 2.023 197 C CB 1.620 29.361 27.740 0.001 0.000 2.361 197 C HN 0.529 nan 8.230 nan 0.000 0.521 198 S N 0.937 116.642 115.700 0.007 0.000 2.457 198 S HA 0.521 4.990 4.470 -0.000 0.000 0.289 198 S C -0.499 174.109 174.600 0.013 0.000 1.163 198 S CA -0.425 57.781 58.200 0.010 0.000 1.078 198 S CB 0.908 64.111 63.200 0.005 0.000 0.987 198 S HN 0.489 nan 8.310 nan 0.000 0.482 199 V N 4.745 124.669 119.914 0.017 0.000 2.417 199 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 199 V C -0.321 175.780 176.094 0.012 0.000 1.024 199 V CA -0.633 61.680 62.300 0.022 0.000 0.861 199 V CB 1.247 33.092 31.823 0.038 0.000 0.985 199 V HN 0.767 nan 8.190 nan 0.000 0.436 200 I N 8.440 129.012 120.570 0.004 0.000 2.291 200 I HA 0.306 4.475 4.170 -0.000 0.000 0.292 200 I C -2.056 174.051 176.117 -0.017 0.000 1.064 200 I CA -1.594 59.700 61.300 -0.011 0.000 1.269 200 I CB 1.358 39.347 38.000 -0.019 0.000 1.418 200 I HN 0.442 nan 8.210 nan 0.000 0.485 201 P HA 0.242 nan 4.420 nan 0.000 0.280 201 P C -1.021 176.221 177.300 -0.097 0.000 1.244 201 P CA -0.455 62.629 63.100 -0.026 0.000 0.784 201 P CB 1.871 33.564 31.700 -0.011 0.000 0.913 202 L N 5.641 126.788 121.223 -0.127 0.000 2.406 202 L HA 0.345 4.684 4.340 -0.000 0.000 0.272 202 L C -0.496 176.202 176.870 -0.286 0.000 0.980 202 L CA -0.652 53.963 54.840 -0.374 0.000 0.831 202 L CB 0.248 42.103 42.059 -0.341 0.000 1.253 202 L HN 0.358 nan 8.230 nan 0.000 0.406 203 Y N 2.617 122.947 120.300 0.050 0.000 3.037 203 Y HA -0.326 4.223 4.550 -0.000 0.000 0.204 203 Y C 1.390 177.309 175.900 0.031 0.000 1.275 203 Y CA 0.414 58.528 58.100 0.023 0.000 1.066 203 Y CB -1.938 36.511 38.460 -0.018 0.000 1.305 203 Y HN 0.605 nan 8.280 nan 0.000 0.499 204 C N -0.222 119.142 119.300 0.106 0.000 2.799 204 C HA 0.058 4.518 4.460 -0.000 0.000 0.267 204 C C 1.099 176.121 174.990 0.054 0.000 1.257 204 C CA -0.121 58.945 59.018 0.080 0.000 1.702 204 C CB -0.405 27.366 27.740 0.052 0.000 1.934 204 C HN 0.357 nan 8.230 nan 0.000 0.594 205 E N 1.707 121.939 120.200 0.054 0.000 2.290 205 E HA 0.190 4.539 4.350 -0.000 0.000 0.277 205 E C -0.297 176.302 176.600 -0.001 0.000 1.035 205 E CA 0.138 56.550 56.400 0.021 0.000 0.873 205 E CB 1.100 30.812 29.700 0.019 0.000 1.029 205 E HN 0.121 nan 8.360 nan 0.000 0.419 206 V N 3.721 123.619 119.914 -0.028 0.000 2.479 206 V HA 0.031 4.150 4.120 -0.000 0.000 0.281 206 V C 0.312 176.334 176.094 -0.120 0.000 1.031 206 V CA 0.184 62.445 62.300 -0.066 0.000 1.038 206 V CB 0.484 32.269 31.823 -0.063 0.000 0.981 206 V HN 0.509 nan 8.190 nan 0.000 0.478 207 D N 3.775 124.047 120.400 -0.213 0.000 2.386 207 D HA 0.317 4.957 4.640 -0.000 0.000 0.247 207 D C 1.030 176.981 176.300 -0.583 0.000 1.336 207 D CA -0.085 53.746 54.000 -0.281 0.000 0.976 207 D CB 1.730 42.416 40.800 -0.190 0.000 1.257 207 D HN 0.498 nan 8.370 nan 0.000 0.570 208 G N 2.879 111.379 108.800 -0.500 0.000 2.527 208 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.219 208 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.219 208 G C 1.193 175.757 174.900 -0.558 0.000 1.117 208 G CA 0.256 44.987 45.100 -0.613 0.000 0.759 208 G HN 0.453 nan 8.290 nan 0.000 0.556 209 N N 0.396 118.871 118.700 -0.376 0.000 2.409 209 N HA -0.027 4.713 4.740 -0.000 0.000 0.179 209 N C 0.046 175.533 175.510 -0.039 0.000 1.032 209 N CA 0.132 53.093 53.050 -0.150 0.000 0.898 209 N CB -0.098 38.337 38.487 -0.087 0.000 0.971 209 N HN 0.255 nan 8.380 nan 0.000 0.441 210 F N 0.151 120.077 119.950 -0.040 0.000 2.773 210 F HA -0.150 4.376 4.527 -0.000 0.000 0.251 210 F C -1.218 174.527 175.800 -0.091 0.000 1.020 210 F CA -0.398 57.559 58.000 -0.072 0.000 0.924 210 F CB -1.628 37.340 39.000 -0.053 0.000 0.919 210 F HN 0.171 nan 8.300 nan 0.000 0.846 211 P HA -0.113 nan 4.420 nan 0.000 0.219 211 P C 1.083 178.345 177.300 -0.065 0.000 1.150 211 P CA 1.408 64.496 63.100 -0.020 0.000 0.814 211 P CB 0.388 32.067 31.700 -0.035 0.000 0.787 212 N N 0.005 118.600 118.700 -0.176 0.000 2.129 212 N HA 0.000 4.740 4.740 -0.000 0.000 0.224 212 N C 0.659 176.049 175.510 -0.199 0.000 1.039 212 N CA 0.539 53.405 53.050 -0.307 0.000 1.101 212 N CB -0.833 37.166 38.487 -0.815 0.000 1.401 212 N HN 0.361 nan 8.380 nan 0.000 0.582 213 H N -2.290 116.609 119.070 -0.284 0.000 2.529 213 H HA 0.520 5.075 4.556 -0.000 0.000 0.348 213 H C 0.187 175.461 175.328 -0.090 0.000 1.152 213 H CA -0.686 55.277 56.048 -0.142 0.000 1.202 213 H CB -0.376 29.316 29.762 -0.118 0.000 1.562 213 H HN 0.455 nan 8.280 nan 0.000 0.515 214 H N 1.584 120.653 119.070 -0.001 0.000 2.897 214 H HA 0.205 4.761 4.556 -0.000 0.000 0.347 214 H C -2.302 172.995 175.328 -0.051 0.000 1.068 214 H CA -1.953 54.025 56.048 -0.116 0.000 1.426 214 H CB -0.220 29.469 29.762 -0.122 0.000 1.410 214 H HN 0.817 nan 8.280 nan 0.000 0.597 215 P HA 0.159 nan 4.420 nan 0.000 0.244 215 P C -1.062 176.186 177.300 -0.085 0.000 1.769 215 P CA 0.160 63.247 63.100 -0.022 0.000 1.102 215 P CB -0.201 31.509 31.700 0.016 0.000 1.937 216 D N 3.183 123.513 120.400 -0.116 0.000 2.404 216 D HA 0.246 4.885 4.640 -0.000 0.000 0.267 216 D C -1.791 174.402 176.300 -0.178 0.000 1.194 216 D CA -2.445 51.354 54.000 -0.335 0.000 0.910 216 D CB 1.091 41.645 40.800 -0.409 0.000 1.090 216 D HN -0.004 nan 8.370 nan 0.000 0.511 217 P HA 0.057 nan 4.420 nan 0.000 0.228 217 P C 1.378 178.627 177.300 -0.085 0.000 1.151 217 P CA 0.476 63.514 63.100 -0.104 0.000 0.770 217 P CB 0.329 31.963 31.700 -0.110 0.000 0.786 218 G N -0.832 107.918 108.800 -0.083 0.000 2.598 218 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.215 218 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.215 218 G C 0.693 175.604 174.900 0.019 0.000 1.131 218 G CA 0.312 45.408 45.100 -0.006 0.000 0.785 218 G HN 0.472 nan 8.290 nan 0.000 0.539 219 K N 0.824 121.208 120.400 -0.026 0.000 2.307 219 K HA 0.634 4.954 4.320 -0.000 0.000 0.263 219 K C -1.737 174.847 176.600 -0.026 0.000 0.973 219 K CA -1.778 54.502 56.287 -0.012 0.000 0.846 219 K CB 1.391 33.873 32.500 -0.030 0.000 1.100 219 K HN -0.082 nan 8.250 nan 0.000 0.438 220 P HA -0.214 nan 4.420 nan 0.000 0.218 220 P C 0.393 177.656 177.300 -0.061 0.000 1.146 220 P CA 1.275 64.360 63.100 -0.025 0.000 0.813 220 P CB 0.368 32.078 31.700 0.016 0.000 0.778 221 E N -0.861 119.307 120.200 -0.054 0.000 2.204 221 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 221 E C 1.294 177.815 176.600 -0.132 0.000 0.989 221 E CA 0.843 57.203 56.400 -0.067 0.000 0.824 221 E CB -0.856 28.820 29.700 -0.039 0.000 0.756 221 E HN 0.302 nan 8.360 nan 0.000 0.477 222 N N -0.100 118.499 118.700 -0.167 0.000 2.398 222 N HA 0.077 4.817 4.740 -0.000 0.000 0.188 222 N C 0.598 175.835 175.510 -0.455 0.000 1.122 222 N CA 0.411 53.248 53.050 -0.354 0.000 0.866 222 N CB 0.449 38.853 38.487 -0.139 0.000 0.970 222 N HN 0.224 nan 8.380 nan 0.000 0.462 223 L N -0.250 120.824 121.223 -0.248 0.000 2.766 223 L HA 0.189 4.529 4.340 -0.000 0.000 0.242 223 L C 2.245 179.030 176.870 -0.140 0.000 1.136 223 L CA 0.035 54.763 54.840 -0.186 0.000 0.933 223 L CB -0.017 41.954 42.059 -0.148 0.000 1.241 223 L HN 0.024 nan 8.230 nan 0.000 0.522 224 K N 0.122 120.440 120.400 -0.137 0.000 2.057 224 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 224 K C 1.550 178.125 176.600 -0.043 0.000 1.050 224 K CA 1.929 58.170 56.287 -0.076 0.000 0.935 224 K CB -0.608 31.857 32.500 -0.060 0.000 0.715 224 K HN 0.188 nan 8.250 nan 0.000 0.439 225 D N 0.276 120.662 120.400 -0.024 0.000 2.117 225 D HA -0.117 4.522 4.640 -0.000 0.000 0.197 225 D C 1.908 178.216 176.300 0.014 0.000 0.987 225 D CA 1.355 55.387 54.000 0.053 0.000 0.829 225 D CB -0.280 40.657 40.800 0.229 0.000 0.961 225 D HN 0.278 nan 8.370 nan 0.000 0.460 226 L N 0.794 122.011 121.223 -0.010 0.000 1.994 226 L HA -0.096 4.243 4.340 -0.000 0.000 0.208 226 L C 2.180 179.024 176.870 -0.043 0.000 1.071 226 L CA 1.366 56.189 54.840 -0.029 0.000 0.745 226 L CB -0.625 41.406 42.059 -0.045 0.000 0.892 226 L HN -0.030 nan 8.230 nan 0.000 0.431 227 I N -0.178 120.359 120.570 -0.055 0.000 2.151 227 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 227 I C 2.624 178.720 176.117 -0.035 0.000 1.080 227 I CA 1.448 62.717 61.300 -0.053 0.000 1.339 227 I CB -0.716 37.248 38.000 -0.060 0.000 1.039 227 I HN 0.410 nan 8.210 nan 0.000 0.409 228 A N 0.502 123.306 122.820 -0.025 0.000 1.883 228 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 228 A C 2.286 179.860 177.584 -0.015 0.000 1.186 228 A CA 2.259 54.288 52.037 -0.015 0.000 0.624 228 A CB -0.537 18.461 19.000 -0.004 0.000 0.822 228 A HN 0.270 nan 8.150 nan 0.000 0.444 229 K N -0.234 120.154 120.400 -0.020 0.000 2.057 229 K HA -0.041 4.279 4.320 -0.000 0.000 0.206 229 K C 1.720 178.307 176.600 -0.023 0.000 1.050 229 K CA 1.640 57.913 56.287 -0.024 0.000 0.935 229 K CB -0.746 31.731 32.500 -0.038 0.000 0.715 229 K HN 0.181 nan 8.250 nan 0.000 0.439 230 V N 1.286 121.185 119.914 -0.026 0.000 2.282 230 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 230 V C 2.159 178.244 176.094 -0.016 0.000 1.057 230 V CA 2.218 64.504 62.300 -0.023 0.000 1.032 230 V CB -0.404 31.401 31.823 -0.030 0.000 0.645 230 V HN 0.369 nan 8.190 nan 0.000 0.447 231 K N 0.054 120.444 120.400 -0.016 0.000 2.025 231 K HA -0.097 4.222 4.320 -0.000 0.000 0.207 231 K C 2.306 178.902 176.600 -0.008 0.000 1.049 231 K CA 1.455 57.736 56.287 -0.011 0.000 0.933 231 K CB -0.460 32.034 32.500 -0.011 0.000 0.714 231 K HN 0.468 nan 8.250 nan 0.000 0.438 232 A N 1.499 124.314 122.820 -0.009 0.000 1.972 232 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 232 A C 1.600 179.180 177.584 -0.007 0.000 1.169 232 A CA 1.467 53.499 52.037 -0.007 0.000 0.635 232 A CB -0.104 18.891 19.000 -0.007 0.000 0.810 232 A HN 0.164 nan 8.150 nan 0.000 0.446 233 E N -0.741 119.454 120.200 -0.009 0.000 2.481 233 E HA 0.059 4.408 4.350 -0.000 0.000 0.198 233 E C -0.451 176.145 176.600 -0.005 0.000 1.027 233 E CA -0.155 56.241 56.400 -0.008 0.000 0.900 233 E CB -0.375 29.318 29.700 -0.011 0.000 0.993 233 E HN 0.671 nan 8.360 nan 0.000 0.482 234 N N 0.949 119.646 118.700 -0.004 0.000 2.705 234 N HA -0.214 4.526 4.740 -0.000 0.000 0.255 234 N C -0.457 175.053 175.510 -0.001 0.000 1.008 234 N CA 0.488 53.538 53.050 -0.001 0.000 0.742 234 N CB -0.645 37.842 38.487 0.000 0.000 0.906 234 N HN 0.250 nan 8.380 nan 0.000 0.541 235 A N -0.200 122.618 122.820 -0.003 0.000 2.332 235 A HA 0.226 4.546 4.320 -0.000 0.000 0.258 235 A C 1.033 178.619 177.584 0.003 0.000 1.087 235 A CA -0.232 51.803 52.037 -0.002 0.000 0.802 235 A CB 0.454 19.450 19.000 -0.007 0.000 1.042 235 A HN 0.331 nan 8.150 nan 0.000 0.489 236 D N -0.936 119.467 120.400 0.005 0.000 2.323 236 D HA 0.208 4.848 4.640 -0.000 0.000 0.209 236 D C -0.168 176.143 176.300 0.018 0.000 0.973 236 D CA 1.053 55.060 54.000 0.013 0.000 0.874 236 D CB 0.145 40.951 40.800 0.011 0.000 0.930 236 D HN 0.266 nan 8.370 nan 0.000 0.521 237 L N -1.140 120.087 121.223 0.007 0.000 2.866 237 L HA 0.502 4.841 4.340 -0.000 0.000 0.262 237 L C -1.357 175.501 176.870 -0.021 0.000 0.986 237 L CA -0.601 54.240 54.840 0.002 0.000 0.925 237 L CB 1.971 44.038 42.059 0.015 0.000 1.484 237 L HN -0.106 nan 8.230 nan 0.000 0.414 238 G N 2.435 111.207 108.800 -0.047 0.000 2.513 238 G HA2 0.710 4.670 3.960 -0.000 0.000 0.317 238 G HA3 0.710 4.670 3.960 -0.000 0.000 0.317 238 G C -1.916 172.918 174.900 -0.109 0.000 1.277 238 G CA -0.500 44.559 45.100 -0.068 0.000 0.955 238 G HN 0.566 nan 8.290 nan 0.000 0.484 239 L N 1.164 122.311 121.223 -0.127 0.000 2.410 239 L HA 0.760 5.100 4.340 -0.000 0.000 0.270 239 L C 0.039 176.721 176.870 -0.313 0.000 0.983 239 L CA -0.977 53.709 54.840 -0.256 0.000 0.822 239 L CB 2.372 44.273 42.059 -0.263 0.000 1.285 239 L HN 0.668 nan 8.230 nan 0.000 0.409 240 A N 2.790 125.359 122.820 -0.420 0.000 2.355 240 A HA 0.881 5.200 4.320 -0.000 0.000 0.317 240 A C -1.371 175.910 177.584 -0.504 0.000 1.094 240 A CA -0.318 51.539 52.037 -0.300 0.000 0.764 240 A CB 0.949 19.876 19.000 -0.122 0.000 1.230 240 A HN 0.459 nan 8.150 nan 0.000 0.448 241 F N 1.517 121.494 119.950 0.043 0.000 2.492 241 F HA 0.428 4.955 4.527 -0.000 0.000 0.327 241 F C 0.744 176.559 175.800 0.025 0.000 1.079 241 F CA -0.588 57.429 58.000 0.028 0.000 0.967 241 F CB 1.642 40.666 39.000 0.040 0.000 1.169 241 F HN 0.743 nan 8.300 nan 0.000 0.472 242 D N 0.675 121.183 120.400 0.180 0.000 2.478 242 D HA 0.186 4.825 4.640 -0.000 0.000 0.269 242 D C 1.436 177.817 176.300 0.135 0.000 1.232 242 D CA -0.181 53.876 54.000 0.094 0.000 1.059 242 D CB 0.165 40.988 40.800 0.038 0.000 1.104 242 D HN 0.591 nan 8.370 nan 0.000 0.566 243 G N -0.211 108.660 108.800 0.119 0.000 2.513 243 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 243 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 243 G C 0.947 175.914 174.900 0.113 0.000 1.160 243 G CA 1.639 46.810 45.100 0.119 0.000 0.767 243 G HN 0.746 nan 8.290 nan 0.000 0.571 244 D N -1.693 118.748 120.400 0.067 0.000 2.398 244 D HA 0.279 4.919 4.640 -0.000 0.000 0.210 244 D C 1.593 177.880 176.300 -0.021 0.000 1.094 244 D CA 0.711 54.715 54.000 0.007 0.000 0.839 244 D CB -0.271 40.510 40.800 -0.032 0.000 0.963 244 D HN 0.654 nan 8.370 nan 0.000 0.506 245 G N 1.607 110.426 108.800 0.032 0.000 2.175 245 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 245 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 245 G C 0.571 175.514 174.900 0.072 0.000 0.982 245 G CA 0.452 45.574 45.100 0.036 0.000 0.641 245 G HN 0.517 nan 8.290 nan 0.000 0.527 246 D N -0.296 120.119 120.400 0.024 0.000 2.340 246 D HA 0.142 4.781 4.640 -0.000 0.000 0.220 246 D C 1.055 177.251 176.300 -0.174 0.000 1.039 246 D CA 0.202 54.207 54.000 0.009 0.000 0.866 246 D CB 0.115 40.950 40.800 0.058 0.000 0.913 246 D HN 0.542 nan 8.370 nan 0.000 0.523 247 R N -0.165 120.240 120.500 -0.158 0.000 2.637 247 R HA 0.654 4.994 4.340 -0.000 0.000 0.291 247 R C -1.376 174.937 176.300 0.023 0.000 0.963 247 R CA -1.010 54.977 56.100 -0.188 0.000 0.901 247 R CB 3.034 33.188 30.300 -0.244 0.000 1.160 247 R HN -0.016 nan 8.270 nan 0.000 0.457 248 V N 1.229 121.141 119.914 -0.004 0.000 2.680 248 V HA 0.816 4.936 4.120 -0.000 0.000 0.309 248 V C -0.567 175.444 176.094 -0.138 0.000 1.052 248 V CA -0.378 61.864 62.300 -0.097 0.000 0.908 248 V CB 2.018 33.824 31.823 -0.028 0.000 1.001 248 V HN 0.896 nan 8.190 nan 0.000 0.431 249 G N 4.184 112.843 108.800 -0.234 0.000 2.482 249 G HA2 0.673 4.632 3.960 -0.000 0.000 0.317 249 G HA3 0.673 4.632 3.960 -0.000 0.000 0.317 249 G C -1.673 173.075 174.900 -0.252 0.000 1.241 249 G CA -0.559 44.416 45.100 -0.209 0.000 0.967 249 G HN 0.856 nan 8.290 nan 0.000 0.482 250 V N 0.990 120.747 119.914 -0.263 0.000 2.709 250 V HA 0.654 4.774 4.120 -0.000 0.000 0.308 250 V C -0.579 175.344 176.094 -0.285 0.000 1.062 250 V CA -0.680 61.464 62.300 -0.260 0.000 0.901 250 V CB 1.960 33.619 31.823 -0.273 0.000 1.003 250 V HN 0.598 nan 8.190 nan 0.000 0.425 251 V N 2.899 122.687 119.914 -0.210 0.000 2.709 251 V HA 0.561 4.681 4.120 -0.000 0.000 0.308 251 V C 0.338 176.365 176.094 -0.112 0.000 1.062 251 V CA -0.441 61.751 62.300 -0.180 0.000 0.901 251 V CB 2.603 34.339 31.823 -0.145 0.000 1.003 251 V HN 1.062 nan 8.190 nan 0.000 0.425 252 T N 0.620 115.118 114.554 -0.093 0.000 2.788 252 T HA 0.134 4.484 4.350 -0.000 0.000 0.280 252 T C 1.340 176.035 174.700 -0.008 0.000 0.984 252 T CA 0.003 62.096 62.100 -0.013 0.000 0.972 252 T CB 0.451 69.328 68.868 0.015 0.000 1.039 252 T HN 0.754 nan 8.240 nan 0.000 0.530 253 N N 0.477 119.191 118.700 0.022 0.000 2.348 253 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 253 N C 1.444 176.958 175.510 0.007 0.000 1.019 253 N CA 1.790 54.850 53.050 0.017 0.000 0.880 253 N CB -1.088 37.420 38.487 0.035 0.000 0.965 253 N HN 0.853 nan 8.380 nan 0.000 0.437 254 T N -5.311 109.244 114.554 0.002 0.000 3.122 254 T HA 0.456 4.806 4.350 -0.000 0.000 0.250 254 T C 1.275 175.960 174.700 -0.025 0.000 1.067 254 T CA 0.295 62.391 62.100 -0.007 0.000 0.966 254 T CB -0.036 68.828 68.868 -0.006 0.000 1.002 254 T HN 0.404 nan 8.240 nan 0.000 0.542 255 G N 1.128 109.904 108.800 -0.039 0.000 2.176 255 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.253 255 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.253 255 G C 0.164 175.015 174.900 -0.082 0.000 0.979 255 G CA 0.007 45.073 45.100 -0.058 0.000 0.641 255 G HN 0.684 nan 8.290 nan 0.000 0.530 256 T N 1.519 116.023 114.554 -0.083 0.000 2.867 256 T HA 0.404 4.754 4.350 -0.000 0.000 0.297 256 T C 1.043 175.626 174.700 -0.195 0.000 0.989 256 T CA 0.245 62.278 62.100 -0.112 0.000 1.159 256 T CB 0.866 69.680 68.868 -0.091 0.000 0.928 256 T HN 0.332 nan 8.240 nan 0.000 0.538 257 I N 4.538 124.957 120.570 -0.252 0.000 2.452 257 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 257 I C 0.218 175.986 176.117 -0.582 0.000 1.079 257 I CA -0.381 60.648 61.300 -0.451 0.000 1.387 257 I CB 0.434 38.087 38.000 -0.579 0.000 1.404 257 I HN 0.367 nan 8.210 nan 0.000 0.522 258 I N 8.000 128.212 120.570 -0.597 0.000 2.291 258 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 258 I C 0.068 175.851 176.117 -0.556 0.000 1.050 258 I CA -0.498 60.434 61.300 -0.614 0.000 1.245 258 I CB -0.251 37.193 38.000 -0.926 0.000 1.405 258 I HN 0.387 nan 8.210 nan 0.000 0.478 259 Y N 7.847 128.024 120.300 -0.205 0.000 2.379 259 Y HA 0.112 4.662 4.550 -0.000 0.000 0.337 259 Y C -1.029 174.795 175.900 -0.127 0.000 1.238 259 Y CA -1.048 56.973 58.100 -0.131 0.000 1.405 259 Y CB 0.074 38.488 38.460 -0.076 0.000 1.310 259 Y HN 0.442 nan 8.280 nan 0.000 0.569 260 P HA -0.180 nan 4.420 nan 0.000 0.219 260 P C 0.715 178.046 177.300 0.052 0.000 1.146 260 P CA 1.787 64.919 63.100 0.054 0.000 0.808 260 P CB 0.159 31.927 31.700 0.113 0.000 0.779 261 D N -1.099 119.340 120.400 0.066 0.000 2.224 261 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 261 D C 1.983 178.258 176.300 -0.041 0.000 0.965 261 D CA 1.245 55.260 54.000 0.025 0.000 0.852 261 D CB -1.037 39.783 40.800 0.034 0.000 0.947 261 D HN 0.071 nan 8.370 nan 0.000 0.494 262 R N 0.602 121.075 120.500 -0.045 0.000 2.093 262 R HA 0.151 4.490 4.340 -0.000 0.000 0.224 262 R C 2.381 178.594 176.300 -0.144 0.000 1.101 262 R CA 1.121 57.161 56.100 -0.099 0.000 0.979 262 R CB -1.684 28.572 30.300 -0.072 0.000 0.877 262 R HN 0.271 nan 8.270 nan 0.000 0.441 263 L N 0.257 121.372 121.223 -0.180 0.000 2.012 263 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 263 L C 2.331 179.003 176.870 -0.330 0.000 1.073 263 L CA 1.878 56.573 54.840 -0.242 0.000 0.748 263 L CB -0.568 41.345 42.059 -0.243 0.000 0.891 263 L HN 0.354 nan 8.230 nan 0.000 0.431 264 L N -1.057 120.098 121.223 -0.113 0.000 2.127 264 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 264 L C 2.382 179.209 176.870 -0.071 0.000 1.089 264 L CA 1.794 56.643 54.840 0.015 0.000 0.757 264 L CB -0.408 41.694 42.059 0.071 0.000 0.899 264 L HN 0.334 nan 8.230 nan 0.000 0.434 265 M N -1.975 117.503 119.600 -0.203 0.000 2.117 265 M HA -0.232 4.248 4.480 -0.000 0.000 0.262 265 M C 2.111 178.175 176.300 -0.393 0.000 1.065 265 M CA 1.619 56.731 55.300 -0.314 0.000 1.114 265 M CB -0.464 31.831 32.600 -0.507 0.000 1.361 265 M HN 0.306 nan 8.290 nan 0.000 0.408 266 L N -0.360 120.578 121.223 -0.476 0.000 2.093 266 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 266 L C 1.955 178.788 176.870 -0.062 0.000 1.085 266 L CA 1.792 56.433 54.840 -0.332 0.000 0.755 266 L CB -0.475 41.364 42.059 -0.365 0.000 0.904 266 L HN 0.081 nan 8.230 nan 0.000 0.435 267 F N -0.131 119.812 119.950 -0.012 0.000 2.146 267 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 267 F C 2.551 178.346 175.800 -0.009 0.000 1.096 267 F CA 0.730 58.750 58.000 0.034 0.000 1.275 267 F CB -1.580 37.434 39.000 0.022 0.000 1.008 267 F HN 0.179 nan 8.300 nan 0.000 0.480 268 A N -0.012 122.899 122.820 0.151 0.000 1.877 268 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 268 A C 2.314 179.916 177.584 0.030 0.000 1.186 268 A CA 1.851 53.938 52.037 0.083 0.000 0.620 268 A CB -0.832 18.210 19.000 0.070 0.000 0.822 268 A HN 0.332 nan 8.150 nan 0.000 0.443 269 K N -0.493 119.899 120.400 -0.015 0.000 2.074 269 K HA -0.283 4.036 4.320 -0.000 0.000 0.209 269 K C 1.698 178.163 176.600 -0.225 0.000 1.048 269 K CA 2.198 58.327 56.287 -0.264 0.000 0.926 269 K CB -0.273 32.156 32.500 -0.117 0.000 0.713 269 K HN 0.461 nan 8.250 nan 0.000 0.444 270 D N -0.708 119.670 120.400 -0.038 0.000 2.120 270 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 270 D C 1.820 178.132 176.300 0.019 0.000 0.972 270 D CA 0.932 54.934 54.000 0.003 0.000 0.837 270 D CB 0.253 41.111 40.800 0.096 0.000 0.989 270 D HN 0.047 nan 8.370 nan 0.000 0.469 271 V N -0.055 119.897 119.914 0.063 0.000 2.261 271 V HA -0.196 3.923 4.120 -0.000 0.000 0.246 271 V C 2.534 178.643 176.094 0.026 0.000 1.047 271 V CA 1.206 63.543 62.300 0.063 0.000 1.015 271 V CB -0.432 31.438 31.823 0.078 0.000 0.642 271 V HN 0.135 nan 8.190 nan 0.000 0.446 272 V N 1.098 121.018 119.914 0.010 0.000 2.392 272 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 272 V C 2.776 178.864 176.094 -0.009 0.000 1.059 272 V CA 2.211 64.520 62.300 0.016 0.000 1.051 272 V CB -0.941 30.914 31.823 0.054 0.000 0.658 272 V HN 0.785 nan 8.190 nan 0.000 0.455 273 S N 0.959 116.617 115.700 -0.070 0.000 2.374 273 S HA -0.282 4.187 4.470 -0.000 0.000 0.227 273 S C 2.041 176.631 174.600 -0.017 0.000 1.037 273 S CA 1.733 59.894 58.200 -0.065 0.000 1.024 273 S CB -0.489 62.650 63.200 -0.102 0.000 0.861 273 S HN 0.628 nan 8.310 nan 0.000 0.456 274 R N 1.326 121.822 120.500 -0.006 0.000 2.276 274 R HA 0.263 4.603 4.340 -0.000 0.000 0.196 274 R C -0.092 176.215 176.300 0.013 0.000 0.961 274 R CA 0.400 56.503 56.100 0.005 0.000 1.024 274 R CB -0.031 30.275 30.300 0.009 0.000 0.940 274 R HN 0.461 nan 8.270 nan 0.000 0.480 275 N N 1.097 119.807 118.700 0.017 0.000 2.750 275 N HA 0.216 4.956 4.740 -0.000 0.000 0.253 275 N C -2.836 172.690 175.510 0.026 0.000 1.408 275 N CA -1.281 51.782 53.050 0.021 0.000 0.780 275 N CB 1.813 40.315 38.487 0.025 0.000 1.191 275 N HN -0.115 nan 8.380 nan 0.000 0.511 276 P HA 0.054 nan 4.420 nan 0.000 0.264 276 P C 1.083 178.401 177.300 0.031 0.000 1.183 276 P CA 0.929 64.049 63.100 0.034 0.000 0.763 276 P CB 0.537 32.254 31.700 0.029 0.000 0.807 277 G N 1.710 110.533 108.800 0.038 0.000 2.176 277 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.253 277 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.253 277 G C 0.475 175.391 174.900 0.026 0.000 0.979 277 G CA -0.004 45.114 45.100 0.030 0.000 0.641 277 G HN 0.860 nan 8.290 nan 0.000 0.530 278 A N 0.113 122.951 122.820 0.030 0.000 2.498 278 A HA 0.491 4.811 4.320 -0.000 0.000 0.239 278 A C 0.245 177.844 177.584 0.024 0.000 1.068 278 A CA 0.756 52.807 52.037 0.023 0.000 0.766 278 A CB 0.155 19.172 19.000 0.028 0.000 1.003 278 A HN 0.424 nan 8.150 nan 0.000 0.497 279 D N 0.817 121.221 120.400 0.007 0.000 2.350 279 D HA 0.461 5.101 4.640 -0.000 0.000 0.249 279 D C -0.216 176.091 176.300 0.012 0.000 1.119 279 D CA 0.512 54.512 54.000 0.000 0.000 0.886 279 D CB 0.680 41.459 40.800 -0.035 0.000 1.195 279 D HN 0.282 nan 8.370 nan 0.000 0.437 280 I N 3.252 123.848 120.570 0.043 0.000 2.499 280 I HA 0.352 4.521 4.170 -0.000 0.000 0.288 280 I C -0.301 175.884 176.117 0.113 0.000 1.048 280 I CA -0.513 60.832 61.300 0.076 0.000 1.062 280 I CB 1.335 39.404 38.000 0.116 0.000 1.238 280 I HN 0.297 nan 8.210 nan 0.000 0.426 281 I N 6.703 127.304 120.570 0.051 0.000 2.437 281 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 281 I C -0.678 175.495 176.117 0.094 0.000 0.984 281 I CA -0.642 60.627 61.300 -0.052 0.000 1.214 281 I CB 1.528 39.441 38.000 -0.145 0.000 1.365 281 I HN 0.432 nan 8.210 nan 0.000 0.469 282 F N 2.224 122.169 119.950 -0.007 0.000 2.631 282 F HA 0.547 5.073 4.527 -0.000 0.000 0.308 282 F C -0.728 175.071 175.800 -0.000 0.000 1.097 282 F CA -1.363 56.638 58.000 0.001 0.000 0.952 282 F CB 0.613 39.602 39.000 -0.019 0.000 1.307 282 F HN 0.441 nan 8.300 nan 0.000 0.450 283 D N 0.850 121.312 120.400 0.102 0.000 2.411 283 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 283 D C 1.253 177.558 176.300 0.009 0.000 1.201 283 D CA -0.152 53.844 54.000 -0.008 0.000 0.996 283 D CB 1.527 42.331 40.800 0.006 0.000 1.101 283 D HN 0.713 nan 8.370 nan 0.000 0.504 284 V N -2.013 117.857 119.914 -0.075 0.000 3.078 284 V HA -0.110 4.010 4.120 -0.000 0.000 0.265 284 V C 1.640 177.686 176.094 -0.080 0.000 1.122 284 V CA 1.068 63.308 62.300 -0.100 0.000 1.141 284 V CB -1.123 30.628 31.823 -0.122 0.000 0.735 284 V HN 0.444 nan 8.190 nan 0.000 0.498 285 K N -0.424 119.982 120.400 0.010 0.000 2.444 285 K HA 0.237 4.557 4.320 -0.000 0.000 0.193 285 K C 0.504 177.188 176.600 0.140 0.000 1.024 285 K CA 0.072 56.424 56.287 0.107 0.000 1.077 285 K CB 0.045 32.600 32.500 0.092 0.000 0.833 285 K HN 0.524 nan 8.250 nan 0.000 0.517 286 C N 1.182 120.489 119.300 0.012 0.000 2.401 286 C HA 0.160 4.619 4.460 -0.000 0.000 0.365 286 C C 1.029 175.893 174.990 -0.209 0.000 1.250 286 C CA -1.018 57.999 59.018 -0.001 0.000 2.131 286 C CB 0.857 28.621 27.740 0.041 0.000 2.445 286 C HN 0.337 nan 8.230 nan 0.000 0.550 287 T N 1.930 116.491 114.554 0.012 0.000 2.923 287 T HA -0.044 4.306 4.350 -0.000 0.000 0.304 287 T C 1.598 176.114 174.700 -0.307 0.000 1.044 287 T CA 0.308 62.450 62.100 0.069 0.000 1.141 287 T CB 0.268 69.220 68.868 0.140 0.000 1.023 287 T HN 0.865 nan 8.240 nan 0.000 0.533 288 R N 4.297 124.556 120.500 -0.401 0.000 2.200 288 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 288 R C 1.896 178.093 176.300 -0.172 0.000 1.127 288 R CA 0.937 56.832 56.100 -0.341 0.000 0.989 288 R CB -0.128 30.062 30.300 -0.184 0.000 0.869 288 R HN 0.463 nan 8.270 nan 0.000 0.459 289 R N 0.701 121.157 120.500 -0.074 0.000 2.193 289 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 289 R C 1.999 178.227 176.300 -0.120 0.000 1.110 289 R CA 0.658 56.731 56.100 -0.044 0.000 0.988 289 R CB -0.604 29.709 30.300 0.022 0.000 0.871 289 R HN 0.279 nan 8.270 nan 0.000 0.458 290 L N 0.788 121.862 121.223 -0.249 0.000 2.109 290 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 290 L C 2.026 178.649 176.870 -0.411 0.000 1.086 290 L CA 1.275 55.895 54.840 -0.366 0.000 0.760 290 L CB -0.350 41.365 42.059 -0.574 0.000 0.910 290 L HN 0.014 nan 8.230 nan 0.000 0.437 291 I N -0.726 119.586 120.570 -0.430 0.000 2.142 291 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 291 I C 2.603 178.663 176.117 -0.094 0.000 1.078 291 I CA 1.202 62.373 61.300 -0.216 0.000 1.343 291 I CB -0.755 37.184 38.000 -0.103 0.000 1.046 291 I HN 0.284 nan 8.210 nan 0.000 0.405 292 A N 1.058 123.825 122.820 -0.087 0.000 1.859 292 A HA -0.265 4.054 4.320 -0.000 0.000 0.217 292 A C 2.391 179.939 177.584 -0.060 0.000 1.198 292 A CA 2.053 54.058 52.037 -0.054 0.000 0.629 292 A CB -1.119 17.858 19.000 -0.039 0.000 0.830 292 A HN 0.465 nan 8.150 nan 0.000 0.446 293 L N -0.506 120.685 121.223 -0.052 0.000 2.012 293 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 293 L C 2.410 179.307 176.870 0.045 0.000 1.073 293 L CA 1.956 56.784 54.840 -0.019 0.000 0.748 293 L CB -0.279 41.822 42.059 0.071 0.000 0.891 293 L HN 0.472 nan 8.230 nan 0.000 0.431 294 I N -0.791 119.810 120.570 0.052 0.000 2.163 294 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 294 I C 2.475 178.649 176.117 0.095 0.000 1.085 294 I CA 1.598 62.963 61.300 0.108 0.000 1.347 294 I CB -0.340 37.706 38.000 0.076 0.000 1.044 294 I HN 0.223 nan 8.210 nan 0.000 0.408 295 S N 0.491 116.213 115.700 0.037 0.000 2.383 295 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 295 S C 2.092 176.688 174.600 -0.005 0.000 1.026 295 S CA 1.233 59.447 58.200 0.023 0.000 0.981 295 S CB -0.607 62.597 63.200 0.007 0.000 0.818 295 S HN 0.649 nan 8.310 nan 0.000 0.472 296 G N -0.341 108.414 108.800 -0.075 0.000 2.443 296 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 296 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 296 G C 0.792 175.580 174.900 -0.187 0.000 1.131 296 G CA 0.381 45.377 45.100 -0.173 0.000 0.775 296 G HN 0.514 nan 8.290 nan 0.000 0.547 297 Y N 0.206 120.525 120.300 0.032 0.000 2.466 297 Y HA 0.350 4.900 4.550 -0.000 0.000 0.272 297 Y C 1.992 177.909 175.900 0.028 0.000 1.169 297 Y CA -0.419 57.702 58.100 0.034 0.000 1.285 297 Y CB 0.245 38.731 38.460 0.044 0.000 1.078 297 Y HN 0.269 nan 8.280 nan 0.000 0.523 298 G N -0.433 108.448 108.800 0.135 0.000 2.131 298 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.223 298 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.223 298 G C 0.613 175.562 174.900 0.082 0.000 0.990 298 G CA -0.112 45.041 45.100 0.088 0.000 0.671 298 G HN 0.720 nan 8.290 nan 0.000 0.521 299 G N -0.933 107.926 108.800 0.099 0.000 2.522 299 G HA2 0.625 4.585 3.960 -0.000 0.000 0.304 299 G HA3 0.625 4.585 3.960 -0.000 0.000 0.304 299 G C -0.105 174.833 174.900 0.064 0.000 1.210 299 G CA -0.478 44.671 45.100 0.082 0.000 0.960 299 G HN 0.549 nan 8.290 nan 0.000 0.497 300 R N 1.056 121.589 120.500 0.055 0.000 2.275 300 R HA 0.384 4.723 4.340 -0.000 0.000 0.326 300 R C -2.482 173.861 176.300 0.072 0.000 0.973 300 R CA -1.737 54.390 56.100 0.046 0.000 0.854 300 R CB 1.741 32.051 30.300 0.017 0.000 1.156 300 R HN 0.282 nan 8.270 nan 0.000 0.487 301 P HA 0.071 nan 4.420 nan 0.000 0.281 301 P C -0.898 176.469 177.300 0.112 0.000 1.252 301 P CA -0.206 63.035 63.100 0.235 0.000 0.778 301 P CB 1.524 33.401 31.700 0.295 0.000 0.895 302 V N 5.370 125.276 119.914 -0.013 0.000 2.376 302 V HA 0.308 4.428 4.120 -0.000 0.000 0.287 302 V C 0.490 176.207 176.094 -0.628 0.000 1.015 302 V CA -0.598 61.570 62.300 -0.220 0.000 0.834 302 V CB 1.337 33.043 31.823 -0.195 0.000 1.001 302 V HN 0.609 nan 8.190 nan 0.000 0.428 303 M N 5.773 125.003 119.600 -0.617 0.000 2.185 303 M HA 0.406 4.886 4.480 -0.000 0.000 0.357 303 M C -0.959 175.226 176.300 -0.191 0.000 1.260 303 M CA 0.117 54.935 55.300 -0.803 0.000 1.124 303 M CB 1.057 33.391 32.600 -0.443 0.000 1.600 303 M HN 0.822 nan 8.290 nan 0.000 0.467 304 W N 4.141 125.160 121.300 -0.469 0.000 3.098 304 W HA 0.389 5.049 4.660 -0.000 0.000 0.367 304 W C -0.956 175.444 176.519 -0.198 0.000 1.163 304 W CA -0.918 56.258 57.345 -0.282 0.000 1.113 304 W CB 1.589 30.889 29.460 -0.267 0.000 1.501 304 W HN 0.492 nan 8.180 nan 0.000 0.598 305 K N 1.520 121.235 120.400 -1.140 0.000 2.355 305 K HA 0.141 4.461 4.320 -0.000 0.000 0.270 305 K C 0.147 176.536 176.600 -0.351 0.000 1.003 305 K CA 0.371 56.192 56.287 -0.777 0.000 0.957 305 K CB 0.613 32.532 32.500 -0.968 0.000 0.939 305 K HN 0.157 nan 8.250 nan 0.000 0.482 306 T N 1.376 115.809 114.554 -0.202 0.000 2.926 306 T HA 0.355 4.705 4.350 -0.000 0.000 0.307 306 T C 0.290 174.878 174.700 -0.187 0.000 1.059 306 T CA 0.347 62.382 62.100 -0.108 0.000 1.122 306 T CB 0.759 69.618 68.868 -0.014 0.000 0.972 306 T HN 0.792 nan 8.240 nan 0.000 0.545 307 G N 1.800 110.392 108.800 -0.346 0.000 3.313 307 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.659 307 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.659 307 G C 0.073 174.634 174.900 -0.565 0.000 1.286 307 G CA -0.041 44.487 45.100 -0.954 0.000 1.077 307 G HN 1.057 nan 8.290 nan 0.000 0.551 308 H N 0.619 119.402 119.070 -0.478 0.000 2.387 308 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 308 H C 2.450 177.808 175.328 0.050 0.000 1.099 308 H CA 2.341 58.362 56.048 -0.045 0.000 1.315 308 H CB 0.016 29.713 29.762 -0.108 0.000 1.380 308 H HN 0.393 nan 8.280 nan 0.000 0.513 309 S N 0.921 116.232 115.700 -0.649 0.000 2.383 309 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 309 S C 2.116 176.657 174.600 -0.098 0.000 1.026 309 S CA 1.255 59.288 58.200 -0.278 0.000 0.981 309 S CB -0.229 62.827 63.200 -0.239 0.000 0.818 309 S HN 0.357 nan 8.310 nan 0.000 0.472 310 L N 1.004 122.166 121.223 -0.102 0.000 2.109 310 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 310 L C 2.226 179.156 176.870 0.100 0.000 1.086 310 L CA 0.765 55.636 54.840 0.052 0.000 0.760 310 L CB -0.595 41.483 42.059 0.031 0.000 0.910 310 L HN 0.280 nan 8.230 nan 0.000 0.437 311 I N 0.338 120.875 120.570 -0.055 0.000 2.252 311 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 311 I C 2.460 178.392 176.117 -0.308 0.000 1.102 311 I CA 1.532 62.702 61.300 -0.217 0.000 1.385 311 I CB -0.717 36.938 38.000 -0.575 0.000 1.064 311 I HN 0.281 nan 8.210 nan 0.000 0.414 312 K N 0.918 121.197 120.400 -0.201 0.000 2.057 312 K HA -0.172 4.147 4.320 -0.000 0.000 0.207 312 K C 2.133 178.697 176.600 -0.059 0.000 1.049 312 K CA 1.299 57.548 56.287 -0.062 0.000 0.931 312 K CB -0.031 32.534 32.500 0.108 0.000 0.714 312 K HN 0.246 nan 8.250 nan 0.000 0.440 313 K N 0.769 121.142 120.400 -0.046 0.000 2.032 313 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 313 K C 2.106 178.630 176.600 -0.128 0.000 1.048 313 K CA 1.444 57.700 56.287 -0.052 0.000 0.927 313 K CB -0.083 32.413 32.500 -0.006 0.000 0.712 313 K HN -0.106 nan 8.250 nan 0.000 0.441 314 K N 0.792 121.075 120.400 -0.195 0.000 2.152 314 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 314 K C 1.980 178.410 176.600 -0.284 0.000 1.048 314 K CA 1.253 57.308 56.287 -0.386 0.000 0.933 314 K CB 0.003 32.128 32.500 -0.626 0.000 0.721 314 K HN 0.041 nan 8.250 nan 0.000 0.447 315 M N 0.310 119.787 119.600 -0.205 0.000 2.108 315 M HA -0.181 4.298 4.480 -0.000 0.000 0.261 315 M C 2.408 178.646 176.300 -0.104 0.000 1.066 315 M CA 2.338 57.553 55.300 -0.141 0.000 1.107 315 M CB -0.898 31.647 32.600 -0.091 0.000 1.356 315 M HN 0.279 nan 8.290 nan 0.000 0.406 316 K N 0.640 120.985 120.400 -0.092 0.000 2.103 316 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 316 K C 1.612 178.155 176.600 -0.095 0.000 1.052 316 K CA 1.498 57.743 56.287 -0.071 0.000 0.945 316 K CB -0.985 31.484 32.500 -0.051 0.000 0.722 316 K HN 0.597 nan 8.250 nan 0.000 0.443 317 E N 0.131 120.247 120.200 -0.141 0.000 2.274 317 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 317 E C 1.983 178.487 176.600 -0.161 0.000 0.996 317 E CA 1.592 57.896 56.400 -0.159 0.000 0.840 317 E CB 0.190 29.754 29.700 -0.226 0.000 0.772 317 E HN 0.818 nan 8.360 nan 0.000 0.491 318 T N -4.037 110.418 114.554 -0.165 0.000 2.969 318 T HA 0.266 4.616 4.350 -0.000 0.000 0.250 318 T C 1.547 176.188 174.700 -0.098 0.000 1.021 318 T CA 0.370 62.382 62.100 -0.148 0.000 1.003 318 T CB 0.783 69.542 68.868 -0.182 0.000 1.040 318 T HN 0.181 nan 8.240 nan 0.000 0.492 319 G N 1.965 110.715 108.800 -0.083 0.000 2.160 319 G HA2 -0.000 3.959 3.960 -0.000 0.000 0.244 319 G HA3 -0.000 3.959 3.960 -0.000 0.000 0.244 319 G C 0.288 175.162 174.900 -0.043 0.000 1.022 319 G CA -0.026 45.043 45.100 -0.053 0.000 0.741 319 G HN 1.203 nan 8.290 nan 0.000 0.508 320 A N -0.587 122.198 122.820 -0.057 0.000 2.498 320 A HA 0.606 4.926 4.320 -0.000 0.000 0.239 320 A C 1.466 179.042 177.584 -0.013 0.000 1.068 320 A CA 0.590 52.602 52.037 -0.042 0.000 0.766 320 A CB 0.265 19.224 19.000 -0.068 0.000 1.003 320 A HN 0.825 nan 8.150 nan 0.000 0.497 321 L N 0.937 122.161 121.223 0.002 0.000 2.509 321 L HA 0.231 4.571 4.340 -0.000 0.000 0.222 321 L C -0.009 176.871 176.870 0.017 0.000 1.123 321 L CA 0.409 55.264 54.840 0.024 0.000 0.856 321 L CB -0.187 41.891 42.059 0.033 0.000 0.985 321 L HN 0.654 nan 8.230 nan 0.000 0.456 322 L N -0.591 120.620 121.223 -0.019 0.000 2.545 322 L HA 0.756 5.095 4.340 -0.000 0.000 0.258 322 L C -1.533 175.318 176.870 -0.032 0.000 0.942 322 L CA -0.257 54.529 54.840 -0.091 0.000 0.855 322 L CB 1.818 43.779 42.059 -0.162 0.000 1.374 322 L HN -0.138 nan 8.230 nan 0.000 0.411 323 A N 2.076 124.902 122.820 0.011 0.000 2.566 323 A HA 1.038 5.358 4.320 -0.000 0.000 0.292 323 A C -0.690 177.058 177.584 0.274 0.000 1.112 323 A CA -0.084 51.987 52.037 0.057 0.000 0.707 323 A CB 1.842 20.727 19.000 -0.192 0.000 1.302 323 A HN 1.357 nan 8.150 nan 0.000 0.409 324 G N -0.249 108.722 108.800 0.284 0.000 2.718 324 G HA2 0.601 4.560 3.960 -0.000 0.000 0.295 324 G HA3 0.601 4.560 3.960 -0.000 0.000 0.295 324 G C -1.531 173.583 174.900 0.356 0.000 1.421 324 G CA -0.517 44.829 45.100 0.409 0.000 0.902 324 G HN 0.682 nan 8.290 nan 0.000 0.501 325 E N 0.698 121.143 120.200 0.408 0.000 2.244 325 E HA 0.288 4.637 4.350 -0.000 0.000 0.266 325 E C 0.801 177.551 176.600 0.249 0.000 0.914 325 E CA -1.168 55.412 56.400 0.300 0.000 0.794 325 E CB 2.426 32.323 29.700 0.329 0.000 1.210 325 E HN 0.406 nan 8.360 nan 0.000 0.414 326 M N 1.746 121.460 119.600 0.189 0.000 2.267 326 M HA -0.147 4.332 4.480 -0.000 0.000 0.263 326 M C 1.704 178.103 176.300 0.164 0.000 1.063 326 M CA 1.767 57.161 55.300 0.157 0.000 1.090 326 M CB -0.201 32.471 32.600 0.120 0.000 1.392 326 M HN 0.475 nan 8.290 nan 0.000 0.422 327 S N -1.488 114.331 115.700 0.199 0.000 2.522 327 S HA 0.323 4.793 4.470 -0.000 0.000 0.227 327 S C 1.615 176.321 174.600 0.176 0.000 0.986 327 S CA 0.431 58.752 58.200 0.202 0.000 0.929 327 S CB -0.446 62.917 63.200 0.273 0.000 0.769 327 S HN 0.828 nan 8.310 nan 0.000 0.529 328 G N 0.195 109.113 108.800 0.196 0.000 2.192 328 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.193 328 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.193 328 G C -0.334 174.606 174.900 0.067 0.000 0.999 328 G CA -0.395 44.767 45.100 0.103 0.000 0.659 328 G HN 0.641 nan 8.290 nan 0.000 0.503 329 H N 0.169 119.314 119.070 0.125 0.000 2.819 329 H HA 0.532 5.088 4.556 -0.000 0.000 0.303 329 H C 0.089 175.437 175.328 0.033 0.000 1.058 329 H CA 0.236 56.285 56.048 0.001 0.000 1.471 329 H CB 1.428 31.193 29.762 0.004 0.000 1.480 329 H HN 0.188 nan 8.280 nan 0.000 0.517 330 V N 5.091 125.015 119.914 0.017 0.000 2.588 330 V HA 0.285 4.405 4.120 -0.000 0.000 0.304 330 V C -0.897 175.236 176.094 0.065 0.000 1.042 330 V CA -0.866 61.541 62.300 0.179 0.000 0.877 330 V CB 1.038 33.021 31.823 0.268 0.000 0.996 330 V HN 0.523 nan 8.190 nan 0.000 0.425 331 F N 4.259 124.282 119.950 0.121 0.000 2.382 331 F HA 0.622 5.148 4.527 -0.000 0.000 0.361 331 F C -0.414 175.401 175.800 0.025 0.000 1.109 331 F CA -1.118 56.988 58.000 0.176 0.000 1.031 331 F CB 0.827 39.924 39.000 0.160 0.000 1.234 331 F HN 0.255 nan 8.300 nan 0.000 0.445 332 F N 2.758 122.864 119.950 0.260 0.000 2.411 332 F HA 0.391 4.918 4.527 -0.000 0.000 0.350 332 F C 1.351 177.278 175.800 0.212 0.000 1.114 332 F CA -0.483 57.632 58.000 0.191 0.000 1.135 332 F CB 1.591 40.697 39.000 0.178 0.000 1.120 332 F HN 0.358 nan 8.300 nan 0.000 0.495 333 K N 1.684 122.243 120.400 0.264 0.000 2.214 333 K HA 0.017 4.337 4.320 -0.000 0.000 0.201 333 K C 0.462 177.146 176.600 0.140 0.000 1.049 333 K CA 0.465 56.846 56.287 0.156 0.000 0.978 333 K CB 0.014 32.562 32.500 0.081 0.000 0.842 333 K HN 0.550 nan 8.250 nan 0.000 0.474 334 E N 1.803 122.106 120.200 0.172 0.000 2.480 334 E HA -0.078 4.272 4.350 -0.000 0.000 0.258 334 E C -0.613 176.093 176.600 0.177 0.000 0.984 334 E CA 0.350 56.836 56.400 0.143 0.000 0.930 334 E CB 0.133 29.923 29.700 0.148 0.000 0.936 334 E HN 0.269 nan 8.360 nan 0.000 0.466 335 R N 1.568 122.117 120.500 0.081 0.000 4.000 335 R HA -0.221 4.119 4.340 -0.000 0.000 0.362 335 R C -0.114 176.247 176.300 0.102 0.000 1.183 335 R CA 1.666 57.807 56.100 0.068 0.000 1.011 335 R CB -1.570 28.786 30.300 0.094 0.000 1.501 335 R HN 0.742 nan 8.270 nan 0.000 0.553 336 W N -1.893 119.207 121.300 -0.334 0.000 3.690 336 W HA 0.364 5.024 4.660 -0.000 0.000 0.395 336 W C -0.559 175.550 176.519 -0.683 0.000 1.113 336 W CA -0.612 56.385 57.345 -0.581 0.000 1.158 336 W CB 0.498 29.647 29.460 -0.517 0.000 1.555 336 W HN -0.178 nan 8.180 nan 0.000 0.628 337 F N 0.543 120.117 119.950 -0.627 0.000 2.728 337 F HA 0.308 4.835 4.527 -0.000 0.000 0.314 337 F C 1.401 177.062 175.800 -0.232 0.000 1.094 337 F CA 0.769 58.495 58.000 -0.456 0.000 1.217 337 F CB 0.643 39.318 39.000 -0.540 0.000 1.056 337 F HN 0.569 nan 8.300 nan 0.000 0.577 338 G N 1.054 109.842 108.800 -0.020 0.000 2.141 338 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.231 338 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.231 338 G C 0.073 175.147 174.900 0.290 0.000 0.984 338 G CA 0.029 45.224 45.100 0.158 0.000 0.660 338 G HN 0.295 nan 8.290 nan 0.000 0.525 339 F N 0.970 121.156 119.950 0.393 0.000 2.450 339 F HA 0.731 5.258 4.527 -0.000 0.000 0.328 339 F C 0.289 176.347 175.800 0.430 0.000 1.068 339 F CA -2.168 56.061 58.000 0.381 0.000 1.007 339 F CB 0.565 39.706 39.000 0.235 0.000 1.251 339 F HN 0.089 nan 8.300 nan 0.000 0.492 340 D N 0.437 121.104 120.400 0.445 0.000 2.382 340 D HA 0.287 4.927 4.640 -0.000 0.000 0.245 340 D C -1.037 175.537 176.300 0.457 0.000 1.120 340 D CA -0.034 53.931 54.000 -0.059 0.000 0.890 340 D CB 1.396 41.802 40.800 -0.656 0.000 1.201 340 D HN 0.674 nan 8.370 nan 0.000 0.433 341 D N 0.482 121.092 120.400 0.350 0.000 2.300 341 D HA 0.183 4.823 4.640 -0.000 0.000 0.218 341 D C 1.022 177.517 176.300 0.326 0.000 1.326 341 D CA -0.603 53.673 54.000 0.460 0.000 0.942 341 D CB 0.961 42.215 40.800 0.757 0.000 1.495 341 D HN 0.396 nan 8.370 nan 0.000 0.545 342 G N 2.436 111.399 108.800 0.272 0.000 2.432 342 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 342 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 342 G C 1.566 176.746 174.900 0.467 0.000 1.135 342 G CA 0.688 45.999 45.100 0.352 0.000 0.767 342 G HN 0.566 nan 8.290 nan 0.000 0.550 343 I N -1.153 119.583 120.570 0.277 0.000 2.286 343 I HA -0.050 4.120 4.170 -0.000 0.000 0.245 343 I C 2.377 178.551 176.117 0.094 0.000 1.104 343 I CA 0.737 62.109 61.300 0.121 0.000 1.397 343 I CB -0.257 37.734 38.000 -0.015 0.000 1.072 343 I HN 0.165 nan 8.210 nan 0.000 0.417 344 Y N 1.532 121.786 120.300 -0.076 0.000 2.224 344 Y HA -0.250 4.300 4.550 -0.000 0.000 0.289 344 Y C 2.702 178.340 175.900 -0.437 0.000 1.146 344 Y CA 1.630 59.463 58.100 -0.446 0.000 1.182 344 Y CB -0.230 37.721 38.460 -0.849 0.000 0.983 344 Y HN 0.048 nan 8.280 nan 0.000 0.524 345 S N 0.216 115.804 115.700 -0.186 0.000 2.383 345 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 345 S C 2.290 176.892 174.600 0.004 0.000 1.026 345 S CA 0.892 59.016 58.200 -0.127 0.000 0.981 345 S CB -0.756 62.604 63.200 0.267 0.000 0.818 345 S HN 0.626 nan 8.310 nan 0.000 0.472 346 A N 1.810 124.684 122.820 0.090 0.000 1.883 346 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 346 A C 2.376 179.943 177.584 -0.029 0.000 1.186 346 A CA 1.827 53.930 52.037 0.110 0.000 0.624 346 A CB -1.167 18.002 19.000 0.282 0.000 0.822 346 A HN 0.523 nan 8.150 nan 0.000 0.444 347 A N -0.638 122.067 122.820 -0.192 0.000 1.902 347 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 347 A C 2.209 179.564 177.584 -0.382 0.000 1.181 347 A CA 1.489 53.344 52.037 -0.304 0.000 0.623 347 A CB -0.446 18.294 19.000 -0.434 0.000 0.818 347 A HN 0.397 nan 8.150 nan 0.000 0.443 348 R N -0.892 119.233 120.500 -0.624 0.000 2.096 348 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 348 R C 2.045 178.306 176.300 -0.065 0.000 1.127 348 R CA 1.321 57.071 56.100 -0.583 0.000 0.968 348 R CB -1.273 28.307 30.300 -1.200 0.000 0.861 348 R HN 0.546 nan 8.270 nan 0.000 0.440 349 L N 1.058 122.379 121.223 0.164 0.000 1.994 349 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 349 L C 2.175 179.094 176.870 0.081 0.000 1.071 349 L CA 1.587 56.591 54.840 0.274 0.000 0.745 349 L CB -0.683 41.537 42.059 0.267 0.000 0.892 349 L HN 0.063 nan 8.230 nan 0.000 0.431 350 L N -0.424 120.810 121.223 0.017 0.000 2.042 350 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 350 L C 2.611 179.459 176.870 -0.036 0.000 1.076 350 L CA 1.764 56.596 54.840 -0.013 0.000 0.749 350 L CB -0.676 41.364 42.059 -0.032 0.000 0.893 350 L HN 0.482 nan 8.230 nan 0.000 0.432 351 E N 0.839 120.997 120.200 -0.069 0.000 2.058 351 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 351 E C 2.248 178.822 176.600 -0.042 0.000 0.997 351 E CA 1.644 57.998 56.400 -0.077 0.000 0.801 351 E CB -0.080 29.544 29.700 -0.127 0.000 0.746 351 E HN 0.470 nan 8.360 nan 0.000 0.450 352 I N 0.678 121.241 120.570 -0.012 0.000 2.163 352 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 352 I C 2.475 178.575 176.117 -0.029 0.000 1.081 352 I CA 0.837 62.136 61.300 -0.003 0.000 1.353 352 I CB -0.211 37.814 38.000 0.042 0.000 1.054 352 I HN 0.182 nan 8.210 nan 0.000 0.407 353 L N 0.492 121.697 121.223 -0.030 0.000 2.079 353 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 353 L C 2.755 179.605 176.870 -0.033 0.000 1.081 353 L CA 1.717 56.531 54.840 -0.044 0.000 0.752 353 L CB -0.751 41.295 42.059 -0.021 0.000 0.896 353 L HN 0.396 nan 8.230 nan 0.000 0.433 354 S N -0.821 114.862 115.700 -0.028 0.000 2.447 354 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 354 S C 1.766 176.348 174.600 -0.030 0.000 1.006 354 S CA 0.793 58.977 58.200 -0.028 0.000 0.957 354 S CB -0.293 62.889 63.200 -0.030 0.000 0.773 354 S HN 0.527 nan 8.310 nan 0.000 0.507 355 Q N 0.677 120.458 119.800 -0.033 0.000 2.378 355 Q HA 0.156 4.496 4.340 -0.000 0.000 0.205 355 Q C 0.029 176.009 176.000 -0.035 0.000 0.954 355 Q CA 0.491 56.275 55.803 -0.032 0.000 0.901 355 Q CB 0.004 28.723 28.738 -0.031 0.000 0.981 355 Q HN 0.548 nan 8.270 nan 0.000 0.483 356 D N -0.489 119.888 120.400 -0.039 0.000 2.198 356 D HA 0.117 4.757 4.640 -0.000 0.000 0.245 356 D C 0.684 176.961 176.300 -0.039 0.000 1.079 356 D CA 0.147 54.121 54.000 -0.044 0.000 0.854 356 D CB 1.475 42.242 40.800 -0.056 0.000 1.148 356 D HN 0.149 nan 8.370 nan 0.000 0.456 357 Q N 3.759 123.534 119.800 -0.041 0.000 2.311 357 Q HA -0.044 4.296 4.340 -0.000 0.000 0.203 357 Q C 1.116 177.088 176.000 -0.047 0.000 0.954 357 Q CA 0.811 56.590 55.803 -0.041 0.000 0.885 357 Q CB -0.234 28.478 28.738 -0.043 0.000 0.963 357 Q HN 0.467 nan 8.270 nan 0.000 0.471 358 R N 2.066 122.536 120.500 -0.049 0.000 2.582 358 R HA 0.327 4.667 4.340 -0.000 0.000 0.271 358 R C -0.397 175.898 176.300 -0.008 0.000 1.078 358 R CA -0.152 55.920 56.100 -0.046 0.000 1.127 358 R CB 0.483 30.767 30.300 -0.026 0.000 1.038 358 R HN 0.693 nan 8.270 nan 0.000 0.500 359 D N -0.025 120.391 120.400 0.026 0.000 2.371 359 D HA -0.061 4.578 4.640 -0.000 0.000 0.242 359 D C 0.789 177.147 176.300 0.096 0.000 1.218 359 D CA -0.330 53.711 54.000 0.068 0.000 0.945 359 D CB 0.560 41.418 40.800 0.098 0.000 1.137 359 D HN 0.437 nan 8.370 nan 0.000 0.464 360 S N -0.643 115.113 115.700 0.093 0.000 2.399 360 S HA -0.263 4.207 4.470 -0.000 0.000 0.231 360 S C 1.647 176.371 174.600 0.208 0.000 1.022 360 S CA 1.172 59.449 58.200 0.128 0.000 0.983 360 S CB -0.515 62.782 63.200 0.162 0.000 0.803 360 S HN 0.593 nan 8.310 nan 0.000 0.480 361 E N 1.590 121.882 120.200 0.154 0.000 2.077 361 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 361 E C 1.678 178.286 176.600 0.014 0.000 0.989 361 E CA 1.717 58.167 56.400 0.082 0.000 0.800 361 E CB -0.550 29.148 29.700 -0.003 0.000 0.746 361 E HN 0.802 nan 8.360 nan 0.000 0.452 362 H N -1.217 117.882 119.070 0.049 0.000 2.470 362 H HA 0.081 4.637 4.556 -0.000 0.000 0.289 362 H C 1.954 177.272 175.328 -0.017 0.000 1.033 362 H CA 1.049 57.106 56.048 0.015 0.000 1.331 362 H CB 0.171 29.927 29.762 -0.009 0.000 1.414 362 H HN 0.013 nan 8.280 nan 0.000 0.545 363 V N 0.119 120.064 119.914 0.051 0.000 2.255 363 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 363 V C 1.806 177.857 176.094 -0.073 0.000 1.051 363 V CA 1.899 64.136 62.300 -0.105 0.000 1.018 363 V CB -0.585 31.077 31.823 -0.267 0.000 0.641 363 V HN 0.354 nan 8.190 nan 0.000 0.445 364 F N 0.916 120.945 119.950 0.130 0.000 2.234 364 F HA -0.107 4.420 4.527 -0.000 0.000 0.296 364 F C 2.707 178.606 175.800 0.165 0.000 1.089 364 F CA 1.191 59.305 58.000 0.190 0.000 1.343 364 F CB -0.430 38.603 39.000 0.055 0.000 1.040 364 F HN 0.238 nan 8.300 nan 0.000 0.498 365 S N 0.185 116.011 115.700 0.211 0.000 2.474 365 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 365 S C 1.996 176.638 174.600 0.070 0.000 0.997 365 S CA 0.655 58.912 58.200 0.095 0.000 0.949 365 S CB -0.573 62.601 63.200 -0.043 0.000 0.766 365 S HN 0.245 nan 8.310 nan 0.000 0.517 366 A N 0.749 123.585 122.820 0.026 0.000 2.014 366 A HA 0.322 4.642 4.320 -0.000 0.000 0.218 366 A C 0.638 178.128 177.584 -0.155 0.000 1.163 366 A CA 0.159 52.129 52.037 -0.113 0.000 0.652 366 A CB -0.603 18.244 19.000 -0.255 0.000 0.808 366 A HN 0.513 nan 8.150 nan 0.000 0.449 367 F N 0.345 120.322 119.950 0.045 0.000 2.406 367 F HA 0.375 4.902 4.527 -0.000 0.000 0.327 367 F C -1.870 173.959 175.800 0.049 0.000 1.153 367 F CA -2.171 55.861 58.000 0.052 0.000 1.218 367 F CB 0.023 39.068 39.000 0.075 0.000 1.215 367 F HN -0.033 nan 8.300 nan 0.000 0.570 368 P HA 0.089 nan 4.420 nan 0.000 0.268 368 P C -0.932 176.455 177.300 0.144 0.000 1.204 368 P CA -0.030 63.157 63.100 0.145 0.000 0.768 368 P CB 0.991 32.760 31.700 0.115 0.000 0.842 369 S N 1.775 117.540 115.700 0.108 0.000 2.526 369 S HA 0.452 4.922 4.470 -0.000 0.000 0.293 369 S C -1.002 173.640 174.600 0.069 0.000 1.092 369 S CA -0.666 57.589 58.200 0.092 0.000 0.980 369 S CB 0.777 64.029 63.200 0.087 0.000 1.048 369 S HN 0.284 nan 8.310 nan 0.000 0.483 370 D N 1.675 122.113 120.400 0.064 0.000 2.497 370 D HA 0.438 5.078 4.640 -0.000 0.000 0.243 370 D C -0.490 175.822 176.300 0.020 0.000 1.039 370 D CA -0.466 53.562 54.000 0.047 0.000 1.052 370 D CB 1.268 42.107 40.800 0.066 0.000 1.344 370 D HN 0.416 nan 8.370 nan 0.000 0.553 371 I N 0.734 121.304 120.570 0.000 0.000 2.441 371 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 371 I C 0.493 176.574 176.117 -0.059 0.000 1.049 371 I CA 0.520 61.806 61.300 -0.023 0.000 1.381 371 I CB 1.025 39.011 38.000 -0.023 0.000 1.409 371 I HN 0.010 nan 8.210 nan 0.000 0.523 372 S N 3.858 119.514 115.700 -0.074 0.000 2.546 372 S HA 0.529 4.998 4.470 -0.000 0.000 0.272 372 S C -0.320 174.201 174.600 -0.132 0.000 1.140 372 S CA -0.747 57.377 58.200 -0.126 0.000 0.920 372 S CB 1.191 64.325 63.200 -0.110 0.000 1.083 372 S HN 0.733 nan 8.310 nan 0.000 0.476 373 T N 2.795 117.255 114.554 -0.156 0.000 2.849 373 T HA 0.620 4.970 4.350 -0.000 0.000 0.284 373 T C -2.324 172.257 174.700 -0.198 0.000 1.004 373 T CA -1.259 60.762 62.100 -0.132 0.000 1.021 373 T CB 0.418 69.239 68.868 -0.078 0.000 1.013 373 T HN 0.502 nan 8.240 nan 0.000 0.527 374 P HA 0.290 nan 4.420 nan 0.000 0.275 374 P C 0.039 177.228 177.300 -0.186 0.000 1.270 374 P CA -0.163 62.803 63.100 -0.222 0.000 0.791 374 P CB -0.188 31.428 31.700 -0.139 0.000 1.089 375 E N 0.359 120.463 120.200 -0.160 0.000 2.417 375 E HA 0.199 4.548 4.350 -0.000 0.000 0.261 375 E C 0.007 176.556 176.600 -0.085 0.000 1.000 375 E CA -0.064 56.266 56.400 -0.117 0.000 0.919 375 E CB -0.813 28.849 29.700 -0.064 0.000 0.955 375 E HN 0.363 nan 8.360 nan 0.000 0.455 376 I N 2.732 123.243 120.570 -0.099 0.000 2.437 376 I HA 0.297 4.467 4.170 -0.000 0.000 0.298 376 I C 0.351 176.463 176.117 -0.009 0.000 0.984 376 I CA -0.450 60.828 61.300 -0.036 0.000 1.214 376 I CB 1.796 39.773 38.000 -0.038 0.000 1.365 376 I HN 0.612 nan 8.210 nan 0.000 0.469 377 N N 6.212 124.933 118.700 0.036 0.000 2.284 377 N HA 0.605 5.345 4.740 -0.000 0.000 0.300 377 N C -1.271 174.286 175.510 0.079 0.000 1.047 377 N CA -0.664 52.412 53.050 0.045 0.000 0.821 377 N CB 2.366 40.872 38.487 0.033 0.000 1.337 377 N HN 0.363 nan 8.380 nan 0.000 0.482 378 I N 1.719 122.341 120.570 0.086 0.000 2.382 378 I HA 0.194 4.364 4.170 -0.000 0.000 0.286 378 I C -0.112 176.038 176.117 0.055 0.000 1.002 378 I CA -0.565 60.791 61.300 0.093 0.000 1.135 378 I CB 1.711 39.793 38.000 0.137 0.000 1.288 378 I HN 0.361 nan 8.210 nan 0.000 0.448 379 T N 6.425 121.004 114.554 0.041 0.000 2.799 379 T HA 0.343 4.693 4.350 -0.000 0.000 0.296 379 T C 0.306 175.017 174.700 0.019 0.000 0.947 379 T CA -0.370 61.743 62.100 0.022 0.000 1.141 379 T CB 0.703 69.583 68.868 0.020 0.000 0.891 379 T HN 0.461 nan 8.240 nan 0.000 0.533 380 V N 0.906 120.822 119.914 0.003 0.000 3.184 380 V HA 0.870 4.989 4.120 -0.000 0.000 0.308 380 V C 0.398 176.483 176.094 -0.016 0.000 1.243 380 V CA -1.235 61.064 62.300 -0.001 0.000 1.058 380 V CB 1.300 33.123 31.823 -0.000 0.000 1.183 380 V HN 0.820 nan 8.190 nan 0.000 0.471 381 T N -2.456 112.089 114.554 -0.016 0.000 2.904 381 T HA 0.369 4.719 4.350 -0.000 0.000 0.290 381 T C 0.701 175.375 174.700 -0.044 0.000 1.018 381 T CA 0.578 62.667 62.100 -0.018 0.000 1.075 381 T CB 1.349 70.214 68.868 -0.005 0.000 0.986 381 T HN 0.940 nan 8.240 nan 0.000 0.523 382 E N 0.606 120.782 120.200 -0.041 0.000 2.153 382 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 382 E C 1.404 177.976 176.600 -0.046 0.000 0.988 382 E CA 1.269 57.630 56.400 -0.065 0.000 0.811 382 E CB -0.261 29.422 29.700 -0.029 0.000 0.746 382 E HN 0.705 nan 8.360 nan 0.000 0.466 383 D N -0.789 119.605 120.400 -0.009 0.000 2.178 383 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 383 D C 1.804 178.116 176.300 0.020 0.000 0.980 383 D CA 1.568 55.579 54.000 0.018 0.000 0.842 383 D CB -0.132 40.680 40.800 0.021 0.000 0.948 383 D HN 0.308 nan 8.370 nan 0.000 0.472 384 S N -0.170 115.525 115.700 -0.007 0.000 2.502 384 S HA -0.002 4.468 4.470 -0.000 0.000 0.215 384 S C 1.705 176.294 174.600 -0.018 0.000 1.009 384 S CA -0.110 58.093 58.200 0.004 0.000 0.908 384 S CB 0.235 63.439 63.200 0.006 0.000 0.801 384 S HN 0.279 nan 8.310 nan 0.000 0.505 385 K N 0.652 120.984 120.400 -0.112 0.000 2.026 385 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 385 K C 1.367 177.878 176.600 -0.149 0.000 1.048 385 K CA 1.436 57.606 56.287 -0.194 0.000 0.929 385 K CB -0.701 31.572 32.500 -0.378 0.000 0.713 385 K HN 0.322 nan 8.250 nan 0.000 0.439 386 F N 1.796 121.760 119.950 0.024 0.000 2.206 386 F HA 0.121 4.648 4.527 -0.000 0.000 0.298 386 F C 2.774 178.590 175.800 0.026 0.000 1.090 386 F CA 0.646 58.658 58.000 0.019 0.000 1.323 386 F CB -0.763 38.242 39.000 0.008 0.000 1.028 386 F HN 0.162 nan 8.300 nan 0.000 0.492 387 A N 0.495 123.433 122.820 0.197 0.000 1.902 387 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 387 A C 2.296 179.941 177.584 0.102 0.000 1.181 387 A CA 1.573 53.685 52.037 0.125 0.000 0.623 387 A CB -1.111 17.944 19.000 0.092 0.000 0.818 387 A HN 0.353 nan 8.150 nan 0.000 0.443 388 I N -0.058 120.566 120.570 0.089 0.000 2.163 388 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 388 I C 2.220 178.406 176.117 0.116 0.000 1.085 388 I CA 1.086 62.439 61.300 0.089 0.000 1.347 388 I CB -0.322 37.724 38.000 0.076 0.000 1.044 388 I HN 0.251 nan 8.210 nan 0.000 0.408 389 I N 0.789 121.434 120.570 0.126 0.000 2.163 389 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 389 I C 2.490 178.683 176.117 0.127 0.000 1.085 389 I CA 1.724 63.106 61.300 0.137 0.000 1.347 389 I CB -1.348 36.741 38.000 0.148 0.000 1.044 389 I HN 0.329 nan 8.210 nan 0.000 0.408 390 E N 0.840 121.112 120.200 0.119 0.000 2.085 390 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 390 E C 2.333 178.989 176.600 0.094 0.000 0.994 390 E CA 1.456 57.913 56.400 0.094 0.000 0.801 390 E CB -0.183 29.566 29.700 0.082 0.000 0.743 390 E HN 0.511 nan 8.360 nan 0.000 0.453 391 A N 1.138 124.015 122.820 0.095 0.000 1.883 391 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 391 A C 2.202 179.856 177.584 0.115 0.000 1.186 391 A CA 1.225 53.314 52.037 0.086 0.000 0.624 391 A CB -0.720 18.324 19.000 0.072 0.000 0.822 391 A HN 0.147 nan 8.150 nan 0.000 0.444 392 L N -0.916 120.406 121.223 0.164 0.000 2.083 392 L HA -0.268 4.072 4.340 -0.000 0.000 0.209 392 L C 2.903 179.985 176.870 0.354 0.000 1.083 392 L CA 1.673 56.683 54.840 0.283 0.000 0.752 392 L CB -0.551 41.722 42.059 0.357 0.000 0.899 392 L HN 0.498 nan 8.230 nan 0.000 0.433 393 Q N -0.753 119.175 119.800 0.214 0.000 2.083 393 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 393 Q C 2.397 178.486 176.000 0.147 0.000 0.969 393 Q CA 1.114 57.016 55.803 0.165 0.000 0.838 393 Q CB -0.017 28.772 28.738 0.085 0.000 0.900 393 Q HN 0.404 nan 8.270 nan 0.000 0.436 394 R N 0.312 120.879 120.500 0.111 0.000 2.057 394 R HA -0.092 4.247 4.340 -0.000 0.000 0.229 394 R C 1.500 177.842 176.300 0.070 0.000 1.136 394 R CA 1.487 57.634 56.100 0.078 0.000 0.952 394 R CB 0.086 30.420 30.300 0.057 0.000 0.848 394 R HN 0.272 nan 8.270 nan 0.000 0.430 395 D N 0.211 120.647 120.400 0.061 0.000 2.201 395 D HA 0.048 4.687 4.640 -0.000 0.000 0.209 395 D C 0.305 176.589 176.300 -0.026 0.000 0.961 395 D CA 0.456 54.466 54.000 0.017 0.000 0.861 395 D CB -0.147 40.657 40.800 0.006 0.000 0.997 395 D HN 0.123 nan 8.370 nan 0.000 0.486 396 A N 0.644 123.441 122.820 -0.039 0.000 2.450 396 A HA 0.468 4.788 4.320 -0.000 0.000 0.255 396 A C 0.499 177.911 177.584 -0.287 0.000 1.096 396 A CA -0.025 51.846 52.037 -0.277 0.000 0.778 396 A CB -0.221 18.470 19.000 -0.515 0.000 1.031 396 A HN 0.180 nan 8.150 nan 0.000 0.494 397 Q N 1.567 121.167 119.800 -0.334 0.000 2.337 397 Q HA 0.403 4.743 4.340 -0.000 0.000 0.255 397 Q C -0.174 175.642 176.000 -0.307 0.000 0.997 397 Q CA -0.161 55.527 55.803 -0.192 0.000 0.925 397 Q CB -0.150 28.519 28.738 -0.115 0.000 1.212 397 Q HN 0.916 nan 8.270 nan 0.000 0.436 398 W N 2.081 123.385 121.300 0.007 0.000 3.123 398 W HA 0.436 5.096 4.660 -0.000 0.000 0.383 398 W C 1.479 178.041 176.519 0.071 0.000 1.102 398 W CA 0.392 57.752 57.345 0.025 0.000 1.865 398 W CB 0.514 29.976 29.460 0.004 0.000 1.111 398 W HN 1.390 nan 8.180 nan 0.000 0.621 399 G N 1.572 110.498 108.800 0.211 0.000 2.596 399 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.304 399 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.304 399 G C 0.490 175.494 174.900 0.173 0.000 1.189 399 G CA 2.766 47.966 45.100 0.167 0.000 0.986 399 G HN 0.678 nan 8.290 nan 0.000 0.548 400 E N -3.115 117.184 120.200 0.164 0.000 2.132 400 E HA 0.466 4.815 4.350 -0.000 0.000 0.283 400 E C 2.220 178.925 176.600 0.174 0.000 1.061 400 E CA 1.301 57.808 56.400 0.177 0.000 2.129 400 E CB -1.250 28.590 29.700 0.233 0.000 2.736 400 E HN 2.455 nan 8.360 nan 0.000 1.135 401 G N 1.286 110.214 108.800 0.214 0.000 2.683 401 G HA2 0.413 4.373 3.960 -0.000 0.000 0.260 401 G HA3 0.413 4.373 3.960 -0.000 0.000 0.260 401 G C 0.039 174.942 174.900 0.006 0.000 1.238 401 G CA 0.330 45.477 45.100 0.077 0.000 0.934 401 G HN 0.466 nan 8.290 nan 0.000 0.534 402 N N -0.184 118.489 118.700 -0.045 0.000 2.434 402 N HA 0.070 4.810 4.740 -0.000 0.000 0.268 402 N C -0.185 175.276 175.510 -0.081 0.000 1.256 402 N CA 0.422 53.447 53.050 -0.042 0.000 0.914 402 N CB 0.845 39.306 38.487 -0.044 0.000 1.088 402 N HN 0.276 nan 8.380 nan 0.000 0.478 403 I N 1.556 122.094 120.570 -0.055 0.000 2.336 403 I HA 0.182 4.351 4.170 -0.000 0.000 0.292 403 I C 0.286 176.349 176.117 -0.090 0.000 0.991 403 I CA -0.328 60.914 61.300 -0.096 0.000 1.227 403 I CB 1.233 39.193 38.000 -0.066 0.000 1.366 403 I HN 0.192 nan 8.210 nan 0.000 0.466 404 T N 3.049 117.530 114.554 -0.121 0.000 2.807 404 T HA 0.350 4.700 4.350 -0.000 0.000 0.279 404 T C 0.607 175.237 174.700 -0.117 0.000 0.993 404 T CA -0.567 61.474 62.100 -0.098 0.000 0.970 404 T CB 1.377 70.187 68.868 -0.097 0.000 0.950 404 T HN 0.752 nan 8.240 nan 0.000 0.441 405 T N -0.412 114.090 114.554 -0.088 0.000 3.200 405 T HA 0.126 4.476 4.350 -0.000 0.000 0.284 405 T C 1.686 176.331 174.700 -0.091 0.000 1.009 405 T CA -0.407 61.641 62.100 -0.086 0.000 0.907 405 T CB -0.497 68.339 68.868 -0.054 0.000 1.120 405 T HN 0.399 nan 8.240 nan 0.000 0.534 406 L N -1.103 120.052 121.223 -0.114 0.000 2.201 406 L HA 0.407 4.747 4.340 -0.000 0.000 0.212 406 L C 0.242 176.943 176.870 -0.282 0.000 1.105 406 L CA 1.264 55.992 54.840 -0.187 0.000 0.775 406 L CB -0.471 41.470 42.059 -0.197 0.000 0.913 406 L HN 0.126 nan 8.230 nan 0.000 0.440 407 D N -0.263 120.004 120.400 -0.222 0.000 2.319 407 D HA 0.465 5.104 4.640 -0.000 0.000 0.237 407 D C 0.345 176.588 176.300 -0.095 0.000 1.353 407 D CA 0.726 54.618 54.000 -0.181 0.000 0.992 407 D CB 0.820 41.471 40.800 -0.248 0.000 1.368 407 D HN 0.486 nan 8.370 nan 0.000 0.564 408 G N 1.255 110.028 108.800 -0.045 0.000 2.525 408 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.248 408 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.248 408 G C -0.981 173.885 174.900 -0.058 0.000 1.238 408 G CA -0.099 44.994 45.100 -0.012 0.000 0.926 408 G HN 0.838 nan 8.290 nan 0.000 0.574 409 V N 1.133 121.000 119.914 -0.078 0.000 2.407 409 V HA 0.702 4.822 4.120 -0.000 0.000 0.291 409 V C 0.393 176.387 176.094 -0.167 0.000 1.018 409 V CA -0.099 62.057 62.300 -0.239 0.000 0.842 409 V CB 1.442 32.957 31.823 -0.513 0.000 0.996 409 V HN 0.939 nan 8.190 nan 0.000 0.426 410 R N 3.880 124.282 120.500 -0.164 0.000 2.562 410 R HA 0.828 5.168 4.340 -0.000 0.000 0.298 410 R C -1.775 174.455 176.300 -0.117 0.000 0.961 410 R CA -0.397 55.668 56.100 -0.058 0.000 0.881 410 R CB 2.047 32.312 30.300 -0.058 0.000 1.159 410 R HN 0.492 nan 8.270 nan 0.000 0.450 411 V N 3.451 123.353 119.914 -0.019 0.000 2.487 411 V HA 0.321 4.440 4.120 -0.000 0.000 0.298 411 V C -1.027 174.886 176.094 -0.303 0.000 1.028 411 V CA -0.831 61.357 62.300 -0.187 0.000 0.860 411 V CB 1.903 33.638 31.823 -0.147 0.000 0.991 411 V HN 0.844 nan 8.190 nan 0.000 0.427 412 D N 3.319 123.517 120.400 -0.337 0.000 2.303 412 D HA 0.613 5.253 4.640 -0.000 0.000 0.236 412 D C -0.956 175.146 176.300 -0.330 0.000 1.068 412 D CA -0.086 53.779 54.000 -0.225 0.000 0.830 412 D CB 1.269 42.012 40.800 -0.095 0.000 1.109 412 D HN 0.437 nan 8.370 nan 0.000 0.496 413 Y N 1.613 122.028 120.300 0.191 0.000 2.618 413 Y HA 0.349 4.899 4.550 -0.000 0.000 0.326 413 Y C -1.220 174.755 175.900 0.124 0.000 1.168 413 Y CA -2.168 56.023 58.100 0.151 0.000 1.269 413 Y CB -0.174 38.381 38.460 0.158 0.000 1.388 413 Y HN 0.295 nan 8.280 nan 0.000 0.528 414 P HA -0.082 nan 4.420 nan 0.000 0.216 414 P C 0.775 178.174 177.300 0.164 0.000 1.150 414 P CA 2.350 65.553 63.100 0.172 0.000 0.837 414 P CB 0.165 31.947 31.700 0.135 0.000 0.786 415 K N -0.667 119.846 120.400 0.189 0.000 2.478 415 K HA 0.585 4.904 4.320 -0.000 0.000 0.205 415 K C 0.604 177.311 176.600 0.177 0.000 1.033 415 K CA 0.451 56.826 56.287 0.147 0.000 1.091 415 K CB 0.374 32.931 32.500 0.095 0.000 0.844 415 K HN 0.371 nan 8.250 nan 0.000 0.507 416 G N -0.243 108.726 108.800 0.282 0.000 2.430 416 G HA2 0.577 4.536 3.960 -0.000 0.000 0.300 416 G HA3 0.577 4.536 3.960 -0.000 0.000 0.300 416 G C -1.769 173.435 174.900 0.508 0.000 1.330 416 G CA -0.034 45.250 45.100 0.307 0.000 0.813 416 G HN 0.698 nan 8.290 nan 0.000 0.487 417 W N -0.855 120.575 121.300 0.217 0.000 3.005 417 W HA 0.775 5.435 4.660 -0.000 0.000 0.343 417 W C -0.610 175.963 176.519 0.090 0.000 1.243 417 W CA -1.051 56.373 57.345 0.130 0.000 1.186 417 W CB 1.217 30.665 29.460 -0.020 0.000 1.453 417 W HN 1.532 nan 8.180 nan 0.000 0.575 418 G N 0.909 109.820 108.800 0.185 0.000 2.660 418 G HA2 0.694 4.654 3.960 -0.000 0.000 0.294 418 G HA3 0.694 4.654 3.960 -0.000 0.000 0.294 418 G C -2.681 172.046 174.900 -0.288 0.000 1.369 418 G CA -0.947 43.895 45.100 -0.430 0.000 0.912 418 G HN 0.765 nan 8.290 nan 0.000 0.479 419 L N 0.958 121.766 121.223 -0.691 0.000 2.455 419 L HA 0.857 5.196 4.340 -0.000 0.000 0.264 419 L C -1.435 175.284 176.870 -0.253 0.000 0.968 419 L CA -0.954 53.760 54.840 -0.209 0.000 0.827 419 L CB 2.303 44.365 42.059 0.004 0.000 1.317 419 L HN 0.676 nan 8.230 nan 0.000 0.407 420 V N 5.780 125.746 119.914 0.086 0.000 2.577 420 V HA 0.830 4.950 4.120 -0.000 0.000 0.303 420 V C -0.986 175.147 176.094 0.064 0.000 1.042 420 V CA -0.245 62.118 62.300 0.104 0.000 0.872 420 V CB 1.712 33.724 31.823 0.316 0.000 0.998 420 V HN 1.026 nan 8.190 nan 0.000 0.423 421 R N 5.300 125.820 120.500 0.034 0.000 2.836 421 R HA 0.928 5.268 4.340 -0.000 0.000 0.269 421 R C -0.829 175.497 176.300 0.043 0.000 1.010 421 R CA -0.616 55.508 56.100 0.040 0.000 0.930 421 R CB 2.020 32.330 30.300 0.016 0.000 1.218 421 R HN 0.809 nan 8.270 nan 0.000 0.473 422 A N 1.223 124.079 122.820 0.061 0.000 2.328 422 A HA 0.352 4.671 4.320 -0.000 0.000 0.284 422 A C 0.119 177.717 177.584 0.023 0.000 1.160 422 A CA -0.422 51.612 52.037 -0.005 0.000 0.818 422 A CB 0.974 19.924 19.000 -0.083 0.000 1.087 422 A HN 0.686 nan 8.150 nan 0.000 0.504 423 S N 1.653 117.340 115.700 -0.021 0.000 2.562 423 S HA 0.047 4.516 4.470 -0.000 0.000 0.281 423 S C 0.770 175.373 174.600 0.004 0.000 1.333 423 S CA -0.399 57.815 58.200 0.022 0.000 1.052 423 S CB 0.023 63.228 63.200 0.008 0.000 0.884 423 S HN 0.680 nan 8.310 nan 0.000 0.506 424 N N 1.972 120.695 118.700 0.039 0.000 2.230 424 N HA 0.048 4.787 4.740 -0.000 0.000 0.202 424 N C 0.952 176.363 175.510 -0.165 0.000 1.119 424 N CA 0.718 53.721 53.050 -0.078 0.000 0.851 424 N CB 0.574 38.880 38.487 -0.302 0.000 0.990 424 N HN 0.830 nan 8.380 nan 0.000 0.497 425 T N -3.471 111.049 114.554 -0.056 0.000 2.958 425 T HA 0.103 4.453 4.350 -0.000 0.000 0.256 425 T C 0.787 175.482 174.700 -0.008 0.000 0.983 425 T CA -0.002 62.082 62.100 -0.026 0.000 0.924 425 T CB 0.452 69.351 68.868 0.051 0.000 1.136 425 T HN 0.087 nan 8.240 nan 0.000 0.506 426 T N -0.262 114.284 114.554 -0.013 0.000 2.883 426 T HA 0.575 4.925 4.350 -0.000 0.000 0.301 426 T C -3.265 171.406 174.700 -0.048 0.000 1.158 426 T CA -1.807 60.284 62.100 -0.016 0.000 1.007 426 T CB 1.996 70.865 68.868 0.002 0.000 1.186 426 T HN -0.201 nan 8.240 nan 0.000 0.499 427 P HA 0.286 nan 4.420 nan 0.000 0.225 427 P C -0.101 177.165 177.300 -0.058 0.000 1.768 427 P CA -0.180 62.877 63.100 -0.071 0.000 0.943 427 P CB -0.614 31.061 31.700 -0.043 0.000 1.936 428 V N -1.342 118.537 119.914 -0.060 0.000 2.962 428 V HA 0.551 4.671 4.120 -0.000 0.000 0.313 428 V C -0.720 175.356 176.094 -0.030 0.000 1.099 428 V CA -1.397 60.888 62.300 -0.026 0.000 0.971 428 V CB 2.507 34.331 31.823 0.002 0.000 1.028 428 V HN -0.086 nan 8.190 nan 0.000 0.430 429 L N 3.075 124.301 121.223 0.006 0.000 2.307 429 L HA 0.671 5.011 4.340 -0.000 0.000 0.282 429 L C -0.561 176.326 176.870 0.030 0.000 1.051 429 L CA -0.784 54.072 54.840 0.026 0.000 0.804 429 L CB 1.796 43.898 42.059 0.072 0.000 1.197 429 L HN 0.553 nan 8.230 nan 0.000 0.431 430 V N 4.724 124.645 119.914 0.012 0.000 2.417 430 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 430 V C -0.202 175.845 176.094 -0.079 0.000 1.024 430 V CA -0.452 61.837 62.300 -0.018 0.000 0.861 430 V CB 1.847 33.667 31.823 -0.005 0.000 0.985 430 V HN 0.452 nan 8.190 nan 0.000 0.436 431 L N 5.414 126.538 121.223 -0.166 0.000 2.370 431 L HA 0.748 5.087 4.340 -0.000 0.000 0.266 431 L C -0.133 176.419 176.870 -0.529 0.000 1.002 431 L CA -0.445 54.152 54.840 -0.406 0.000 0.818 431 L CB 2.132 43.900 42.059 -0.484 0.000 1.325 431 L HN 0.477 nan 8.230 nan 0.000 0.418 432 R N 1.255 121.250 120.500 -0.842 0.000 2.651 432 R HA 0.716 5.056 4.340 -0.000 0.000 0.278 432 R C -1.902 173.537 176.300 -1.436 0.000 1.010 432 R CA -0.703 54.908 56.100 -0.814 0.000 0.896 432 R CB 2.247 32.304 30.300 -0.406 0.000 1.211 432 R HN 0.395 nan 8.270 nan 0.000 0.456 433 F N 0.681 120.187 119.950 -0.741 0.000 2.556 433 F HA 0.450 4.977 4.527 -0.000 0.000 0.314 433 F C 0.090 175.405 175.800 -0.808 0.000 1.106 433 F CA -0.658 56.843 58.000 -0.831 0.000 0.911 433 F CB 2.313 40.977 39.000 -0.559 0.000 1.190 433 F HN 0.186 nan 8.300 nan 0.000 0.448 434 E N 1.521 121.229 120.200 -0.821 0.000 2.314 434 E HA 0.842 5.192 4.350 -0.000 0.000 0.272 434 E C -1.377 175.071 176.600 -0.254 0.000 0.884 434 E CA -0.999 55.090 56.400 -0.518 0.000 0.753 434 E CB 2.876 32.233 29.700 -0.571 0.000 1.213 434 E HN 0.741 nan 8.360 nan 0.000 0.432 435 A N 2.158 124.922 122.820 -0.093 0.000 2.609 435 A HA 0.361 4.681 4.320 -0.000 0.000 0.291 435 A C -0.220 177.373 177.584 0.017 0.000 1.096 435 A CA -0.570 51.463 52.037 -0.006 0.000 0.684 435 A CB 1.205 20.197 19.000 -0.013 0.000 1.282 435 A HN 0.561 nan 8.150 nan 0.000 0.412 436 D N 0.523 120.947 120.400 0.040 0.000 2.149 436 D HA -0.009 4.631 4.640 -0.000 0.000 0.198 436 D C 1.102 177.413 176.300 0.018 0.000 0.990 436 D CA 2.568 56.590 54.000 0.037 0.000 0.839 436 D CB -0.004 40.821 40.800 0.042 0.000 0.948 436 D HN 0.819 nan 8.370 nan 0.000 0.460 437 T N -2.915 111.644 114.554 0.008 0.000 2.906 437 T HA 0.311 4.661 4.350 -0.000 0.000 0.295 437 T C 0.824 175.515 174.700 -0.015 0.000 1.061 437 T CA -0.865 61.234 62.100 -0.001 0.000 1.000 437 T CB 2.537 71.405 68.868 -0.000 0.000 1.103 437 T HN -0.252 nan 8.240 nan 0.000 0.486 438 E N 0.789 120.979 120.200 -0.017 0.000 2.110 438 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 438 E C 1.739 178.320 176.600 -0.032 0.000 0.988 438 E CA 1.293 57.677 56.400 -0.027 0.000 0.804 438 E CB -0.049 29.638 29.700 -0.022 0.000 0.745 438 E HN 0.907 nan 8.360 nan 0.000 0.458 439 E N 0.947 121.132 120.200 -0.025 0.000 2.058 439 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 439 E C 2.203 178.782 176.600 -0.036 0.000 0.997 439 E CA 1.940 58.323 56.400 -0.028 0.000 0.801 439 E CB 0.072 29.761 29.700 -0.020 0.000 0.746 439 E HN 0.318 nan 8.360 nan 0.000 0.450 440 E N 1.173 121.354 120.200 -0.032 0.000 2.106 440 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 440 E C 1.958 178.526 176.600 -0.053 0.000 0.984 440 E CA 1.213 57.590 56.400 -0.039 0.000 0.806 440 E CB -0.993 28.697 29.700 -0.017 0.000 0.750 440 E HN 0.282 nan 8.360 nan 0.000 0.458 441 L N 0.590 121.780 121.223 -0.055 0.000 2.012 441 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 441 L C 2.411 179.206 176.870 -0.126 0.000 1.073 441 L CA 2.708 57.497 54.840 -0.085 0.000 0.748 441 L CB -0.233 41.778 42.059 -0.080 0.000 0.891 441 L HN 0.373 nan 8.230 nan 0.000 0.431 442 E N -0.825 119.317 120.200 -0.097 0.000 2.208 442 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 442 E C 2.277 178.827 176.600 -0.084 0.000 0.988 442 E CA 0.766 57.107 56.400 -0.099 0.000 0.828 442 E CB -0.016 29.645 29.700 -0.065 0.000 0.763 442 E HN 0.356 nan 8.360 nan 0.000 0.478 443 R N -0.121 120.338 120.500 -0.069 0.000 2.075 443 R HA -0.052 4.287 4.340 -0.000 0.000 0.232 443 R C 2.313 178.592 176.300 -0.036 0.000 1.126 443 R CA 1.383 57.450 56.100 -0.055 0.000 0.963 443 R CB -0.357 29.904 30.300 -0.066 0.000 0.858 443 R HN 0.312 nan 8.270 nan 0.000 0.435 444 I N 0.938 121.479 120.570 -0.048 0.000 2.252 444 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 444 I C 2.281 178.410 176.117 0.019 0.000 1.102 444 I CA 1.286 62.626 61.300 0.067 0.000 1.385 444 I CB -0.277 37.801 38.000 0.129 0.000 1.064 444 I HN 0.088 nan 8.210 nan 0.000 0.414 445 K N 0.438 120.640 120.400 -0.331 0.000 2.044 445 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 445 K C 2.149 178.785 176.600 0.060 0.000 1.049 445 K CA 2.139 58.154 56.287 -0.453 0.000 0.927 445 K CB -0.433 31.860 32.500 -0.344 0.000 0.713 445 K HN 0.332 nan 8.250 nan 0.000 0.443 446 T N 1.167 115.739 114.554 0.031 0.000 2.652 446 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 446 T C 2.048 176.820 174.700 0.120 0.000 1.039 446 T CA 1.400 63.528 62.100 0.048 0.000 1.153 446 T CB -0.292 68.578 68.868 0.003 0.000 0.863 446 T HN -0.045 nan 8.240 nan 0.000 0.428 447 V N 0.820 120.840 119.914 0.176 0.000 2.252 447 V HA -0.192 3.927 4.120 -0.000 0.000 0.249 447 V C 2.170 178.416 176.094 0.254 0.000 1.056 447 V CA 1.827 64.243 62.300 0.193 0.000 1.022 447 V CB -0.786 31.213 31.823 0.292 0.000 0.641 447 V HN 0.380 nan 8.190 nan 0.000 0.445 448 F N 0.011 120.168 119.950 0.345 0.000 2.171 448 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 448 F C 2.600 178.639 175.800 0.400 0.000 1.090 448 F CA 1.956 60.268 58.000 0.520 0.000 1.293 448 F CB -0.483 38.946 39.000 0.715 0.000 1.013 448 F HN -0.023 nan 8.300 nan 0.000 0.486 449 R N 0.429 121.199 120.500 0.450 0.000 2.081 449 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 449 R C 2.007 178.338 176.300 0.050 0.000 1.131 449 R CA 1.677 57.850 56.100 0.121 0.000 0.960 449 R CB -0.287 29.940 30.300 -0.121 0.000 0.856 449 R HN 0.189 nan 8.270 nan 0.000 0.436 450 N N 0.625 119.344 118.700 0.032 0.000 2.120 450 N HA -0.165 4.574 4.740 -0.000 0.000 0.188 450 N C 1.718 177.190 175.510 -0.064 0.000 1.024 450 N CA 1.172 54.203 53.050 -0.032 0.000 0.852 450 N CB -0.241 38.215 38.487 -0.052 0.000 1.003 450 N HN 0.316 nan 8.380 nan 0.000 0.424 451 Q N 0.318 120.060 119.800 -0.097 0.000 2.172 451 Q HA 0.046 4.386 4.340 -0.000 0.000 0.200 451 Q C 2.296 178.277 176.000 -0.032 0.000 0.964 451 Q CA 0.505 56.190 55.803 -0.197 0.000 0.855 451 Q CB -0.163 28.272 28.738 -0.505 0.000 0.918 451 Q HN 0.431 nan 8.270 nan 0.000 0.444 452 L N 0.541 121.816 121.223 0.086 0.000 2.072 452 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 452 L C 2.248 179.150 176.870 0.053 0.000 1.079 452 L CA 0.949 55.862 54.840 0.122 0.000 0.752 452 L CB -0.220 41.964 42.059 0.207 0.000 0.906 452 L HN 0.036 nan 8.230 nan 0.000 0.436 453 K N 0.044 120.456 120.400 0.021 0.000 2.365 453 K HA -0.003 4.317 4.320 -0.000 0.000 0.199 453 K C 1.992 178.583 176.600 -0.016 0.000 1.045 453 K CA 1.034 57.318 56.287 -0.005 0.000 0.962 453 K CB -0.134 32.351 32.500 -0.025 0.000 0.759 453 K HN 0.250 nan 8.250 nan 0.000 0.469 454 A N 0.799 123.602 122.820 -0.028 0.000 1.968 454 A HA -0.069 4.250 4.320 -0.000 0.000 0.217 454 A C 2.370 179.942 177.584 -0.021 0.000 1.169 454 A CA 1.045 53.057 52.037 -0.041 0.000 0.638 454 A CB -0.285 18.668 19.000 -0.079 0.000 0.812 454 A HN 0.043 nan 8.150 nan 0.000 0.446 455 V N -0.053 119.860 119.914 -0.001 0.000 2.346 455 V HA -0.015 4.105 4.120 -0.000 0.000 0.244 455 V C 0.548 176.653 176.094 0.017 0.000 1.037 455 V CA 1.812 64.122 62.300 0.017 0.000 1.029 455 V CB -0.354 31.495 31.823 0.044 0.000 0.663 455 V HN 0.673 nan 8.190 nan 0.000 0.454 456 D N -1.491 118.920 120.400 0.018 0.000 2.591 456 D HA 0.137 4.777 4.640 -0.000 0.000 0.222 456 D C 0.825 177.130 176.300 0.008 0.000 1.360 456 D CA 0.428 54.436 54.000 0.015 0.000 0.967 456 D CB 1.655 42.468 40.800 0.023 0.000 1.456 456 D HN 0.117 nan 8.370 nan 0.000 0.588 457 S N 1.599 117.299 115.700 -0.001 0.000 2.500 457 S HA -0.157 4.312 4.470 -0.000 0.000 0.239 457 S C 1.672 176.268 174.600 -0.007 0.000 0.989 457 S CA 1.174 59.369 58.200 -0.008 0.000 0.951 457 S CB -0.264 62.929 63.200 -0.012 0.000 0.759 457 S HN 0.405 nan 8.310 nan 0.000 0.523 458 S N 0.801 116.500 115.700 -0.001 0.000 2.527 458 S HA 0.252 4.721 4.470 -0.000 0.000 0.222 458 S C 0.588 175.191 174.600 0.004 0.000 0.985 458 S CA -0.514 57.686 58.200 0.000 0.000 0.921 458 S CB -0.728 62.474 63.200 0.004 0.000 0.772 458 S HN 0.510 nan 8.310 nan 0.000 0.529 459 L N 2.717 123.947 121.223 0.011 0.000 2.499 459 L HA 0.240 4.580 4.340 -0.000 0.000 0.273 459 L C -2.292 174.585 176.870 0.011 0.000 1.195 459 L CA -1.740 53.114 54.840 0.023 0.000 0.882 459 L CB 0.100 42.185 42.059 0.044 0.000 1.133 459 L HN 0.102 nan 8.230 nan 0.000 0.483 460 P HA -0.001 nan 4.420 nan 0.000 0.264 460 P C -0.860 176.440 177.300 -0.000 0.000 1.193 460 P CA -0.022 63.083 63.100 0.009 0.000 0.763 460 P CB 0.576 32.294 31.700 0.030 0.000 0.810 461 V N 1.948 121.814 119.914 -0.080 0.000 2.380 461 V HA 0.366 4.486 4.120 -0.000 0.000 0.268 461 V C -1.837 174.098 176.094 -0.265 0.000 1.008 461 V CA -1.572 60.580 62.300 -0.247 0.000 0.823 461 V CB 1.349 32.937 31.823 -0.392 0.000 1.053 461 V HN 0.424 nan 8.190 nan 0.000 0.446 462 P HA 0.182 nan 4.420 nan 0.000 0.249 462 P C 0.102 177.448 177.300 0.077 0.000 1.229 462 P CA 0.381 63.497 63.100 0.026 0.000 0.788 462 P CB -0.133 31.639 31.700 0.121 0.000 1.072 463 F N 0.000 119.959 119.950 0.015 0.000 2.286 463 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 463 F CA 0.000 57.988 58.000 -0.020 0.000 1.383 463 F CB 0.000 39.001 39.000 0.001 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574