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 3k1q_1_V DATA FIRST_RESID 10 DATA SEQUENCE TYNITGDGNS FTPTSDMTST AAPAIDLKPG VLNPTGKLWR PVGTSVATID DATA SEQUENCE SLAIVSDRFG QYSFVNEGMR ETFSKALFDI NMWQPLFQAT KTGCGPIVLS DATA SEQUENCE SFTTTTSGYV GATAGDALDN PVTNGVFIST VQIMNLQRTI AARMRDVALW DATA SEQUENCE QKHLDTAMTM LTPDISAGSA SCNWKSLLAF AKDILPLDNL CLTYPNEFYN DATA SEQUENCE VAIHRYPALK PGNPDTKLPD AQAHPLGEVA GAFNAATSEV GSLVGSSSTL DATA SEQUENCE SQAISTMAGK DLDLIEADTP LPVSVFTPSL APRSYRPAFI KPEDAKWIAE DATA SEQUENCE FNNSSLIRKT LTYSGATYTV QLGPGPTRVI DMNAMIDSVL TLDVSGTILP DATA SEQUENCE YDTNPDLSTS VPAFVLIQTS VPIQQVTTAA NITAITVVSA AGASAINLAI DATA SEQUENCE NVRGQPRFNM LHLQATFERE TITGIPYIYG LGTFLIPSPT SSSNFSNPTL DATA SEQUENCE MDGLLTVTPV LLRETTYKGE VVDAIVPATV MANQTSEEVA SALANDAIVL DATA SEQUENCE VSNHLNKLAN VVGDAIPVAS RTDDSATSAI VSRLAVQHKL SQVGQASPTP DATA SEQUENCE PDYPLLWRRA KRAASMFVSN PSLALQVGIP VLTQSGMLSA LTSGVGTALR DATA SEQUENCE TGSLGKGVTD ASEKLRARQS LTVAKQAFFD QIGSLWPGK 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 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.610 174.700 -0.149 0.000 1.109 10 T CA 0.000 62.025 62.100 -0.125 0.000 1.349 10 T CB 0.000 68.731 68.868 -0.229 0.000 0.612 11 Y N 2.234 122.560 120.300 0.043 0.000 2.360 11 Y HA 0.675 5.225 4.550 0.000 0.000 0.337 11 Y C 0.259 176.163 175.900 0.006 0.000 1.039 11 Y CA -1.485 56.633 58.100 0.030 0.000 1.109 11 Y CB 0.470 38.957 38.460 0.045 0.000 1.201 11 Y HN 0.774 nan 8.280 nan 0.000 0.458 12 N N 3.764 122.473 118.700 0.014 0.000 2.256 12 N HA -0.137 4.603 4.740 0.000 0.000 0.277 12 N C 0.915 176.455 175.510 0.050 0.000 1.362 12 N CA 0.493 53.541 53.050 -0.004 0.000 0.861 12 N CB 0.353 38.843 38.487 0.005 0.000 1.136 12 N HN 0.879 nan 8.380 nan 0.000 0.492 13 I N 1.068 121.580 120.570 -0.097 0.000 2.614 13 I HA -0.057 4.113 4.170 0.000 0.000 0.258 13 I C 1.264 177.187 176.117 -0.323 0.000 1.189 13 I CA 0.873 62.021 61.300 -0.253 0.000 1.462 13 I CB -0.605 37.066 38.000 -0.549 0.000 1.092 13 I HN 0.547 nan 8.210 nan 0.000 0.442 14 T N -0.529 113.908 114.554 -0.195 0.000 3.624 14 T HA 0.595 4.945 4.350 0.000 0.000 0.231 14 T C 0.502 175.140 174.700 -0.104 0.000 0.865 14 T CA -0.164 61.839 62.100 -0.162 0.000 0.926 14 T CB -0.985 67.811 68.868 -0.121 0.000 1.189 14 T HN 0.478 nan 8.240 nan 0.000 0.640 15 G N 0.748 109.490 108.800 -0.098 0.000 2.735 15 G HA2 0.621 4.581 3.960 0.000 0.000 0.301 15 G HA3 0.621 4.581 3.960 0.000 0.000 0.301 15 G C -1.326 173.542 174.900 -0.053 0.000 1.279 15 G CA -0.956 44.112 45.100 -0.053 0.000 1.019 15 G HN 0.512 nan 8.290 nan 0.000 0.497 16 D N -1.795 118.591 120.400 -0.024 0.000 2.252 16 D HA 0.530 5.170 4.640 0.000 0.000 0.245 16 D C 0.691 176.997 176.300 0.010 0.000 1.009 16 D CA -0.050 53.944 54.000 -0.011 0.000 0.870 16 D CB 1.784 42.577 40.800 -0.011 0.000 1.251 16 D HN 1.339 nan 8.370 nan 0.000 0.460 17 G N 2.233 111.050 108.800 0.029 0.000 2.316 17 G HA2 -0.253 3.707 3.960 0.000 0.000 0.203 17 G HA3 -0.253 3.707 3.960 0.000 0.000 0.203 17 G C 0.039 174.992 174.900 0.089 0.000 0.999 17 G CA -0.063 45.064 45.100 0.046 0.000 0.649 17 G HN 0.851 nan 8.290 nan 0.000 0.489 18 N N 1.423 120.201 118.700 0.130 0.000 2.434 18 N HA 0.412 5.152 4.740 0.000 0.000 0.268 18 N C 0.002 175.776 175.510 0.439 0.000 1.256 18 N CA 0.805 54.023 53.050 0.280 0.000 0.914 18 N CB 1.298 39.940 38.487 0.258 0.000 1.088 18 N HN 0.301 nan 8.380 nan 0.000 0.478 19 S N 2.464 118.360 115.700 0.325 0.000 2.548 19 S HA 0.295 4.765 4.470 0.000 0.000 0.277 19 S C -0.852 173.742 174.600 -0.010 0.000 1.315 19 S CA -0.759 57.543 58.200 0.170 0.000 1.050 19 S CB -0.264 62.968 63.200 0.053 0.000 0.918 19 S HN 0.548 nan 8.310 nan 0.000 0.497 20 F N 5.175 124.933 119.950 -0.319 0.000 2.366 20 F HA 0.380 4.907 4.527 0.000 0.000 0.357 20 F C 0.232 175.778 175.800 -0.424 0.000 1.107 20 F CA -0.526 57.060 58.000 -0.690 0.000 1.208 20 F CB 0.584 39.128 39.000 -0.760 0.000 1.464 20 F HN 0.561 nan 8.300 nan 0.000 0.501 21 T N 2.925 117.182 114.554 -0.496 0.000 3.250 21 T HA 0.404 4.754 4.350 0.000 0.000 0.391 21 T C -3.010 171.410 174.700 -0.467 0.000 1.502 21 T CA -2.294 59.563 62.100 -0.405 0.000 1.320 21 T CB 0.580 69.327 68.868 -0.201 0.000 1.102 21 T HN 0.255 nan 8.240 nan 0.000 0.610 22 P HA 0.258 nan 4.420 nan 0.000 0.276 22 P C -0.103 177.054 177.300 -0.238 0.000 1.264 22 P CA 0.183 63.018 63.100 -0.442 0.000 0.769 22 P CB 0.565 31.940 31.700 -0.541 0.000 0.840 23 T N -1.309 113.140 114.554 -0.176 0.000 2.893 23 T HA 0.312 4.662 4.350 0.000 0.000 0.291 23 T C 1.369 176.023 174.700 -0.078 0.000 1.028 23 T CA -0.470 61.566 62.100 -0.106 0.000 0.995 23 T CB 1.186 69.998 68.868 -0.092 0.000 1.051 23 T HN 0.221 nan 8.240 nan 0.000 0.470 24 S N 0.473 116.144 115.700 -0.049 0.000 2.400 24 S HA -0.239 4.231 4.470 0.000 0.000 0.232 24 S C 1.504 176.089 174.600 -0.026 0.000 1.025 24 S CA 1.495 59.677 58.200 -0.030 0.000 0.993 24 S CB -0.774 62.415 63.200 -0.017 0.000 0.808 24 S HN 0.857 nan 8.310 nan 0.000 0.478 25 D N 1.116 121.495 120.400 -0.036 0.000 2.144 25 D HA -0.086 4.554 4.640 0.000 0.000 0.199 25 D C 0.872 177.147 176.300 -0.042 0.000 0.984 25 D CA 0.992 54.969 54.000 -0.038 0.000 0.834 25 D CB -0.028 40.746 40.800 -0.042 0.000 0.955 25 D HN 0.458 nan 8.370 nan 0.000 0.465 26 M N 0.917 120.483 119.600 -0.058 0.000 3.043 26 M HA 0.122 4.602 4.480 0.000 0.000 0.309 26 M C -0.625 175.649 176.300 -0.044 0.000 1.202 26 M CA -0.187 55.072 55.300 -0.068 0.000 0.869 26 M CB 1.487 34.014 32.600 -0.121 0.000 1.327 26 M HN -0.314 nan 8.290 nan 0.000 0.524 27 T N 0.981 115.525 114.554 -0.016 0.000 2.750 27 T HA 0.139 4.489 4.350 0.000 0.000 0.286 27 T C 0.649 175.375 174.700 0.042 0.000 0.911 27 T CA 0.084 62.185 62.100 0.003 0.000 1.130 27 T CB 0.109 68.985 68.868 0.013 0.000 0.873 27 T HN 0.452 nan 8.240 nan 0.000 0.536 28 S N 2.995 118.731 115.700 0.060 0.000 2.963 28 S HA 0.010 4.480 4.470 0.000 0.000 0.360 28 S C 0.667 175.343 174.600 0.126 0.000 1.198 28 S CA 0.388 58.689 58.200 0.168 0.000 0.962 28 S CB 0.065 63.327 63.200 0.103 0.000 0.628 28 S HN 0.927 nan 8.310 nan 0.000 0.446 29 T N 0.203 114.837 114.554 0.134 0.000 2.927 29 T HA 0.563 4.913 4.350 0.000 0.000 0.350 29 T C -1.008 173.721 174.700 0.047 0.000 1.746 29 T CA 0.158 62.312 62.100 0.090 0.000 1.081 29 T CB 0.857 69.765 68.868 0.066 0.000 1.551 29 T HN 1.122 nan 8.240 nan 0.000 0.489 30 A N 1.647 124.493 122.820 0.043 0.000 2.548 30 A HA 1.002 5.322 4.320 0.000 0.000 0.282 30 A C -0.815 176.786 177.584 0.028 0.000 1.288 30 A CA -0.207 51.836 52.037 0.009 0.000 0.748 30 A CB 0.829 19.846 19.000 0.028 0.000 1.339 30 A HN 1.590 nan 8.150 nan 0.000 0.475 31 A N 0.649 123.487 122.820 0.030 0.000 2.511 31 A HA 0.628 4.948 4.320 0.000 0.000 0.340 31 A C -1.855 175.765 177.584 0.061 0.000 1.396 31 A CA -1.249 50.815 52.037 0.044 0.000 0.887 31 A CB -0.422 18.601 19.000 0.038 0.000 1.145 31 A HN 0.439 nan 8.150 nan 0.000 0.497 32 P HA 0.107 nan 4.420 nan 0.000 0.213 32 P C 0.523 177.856 177.300 0.055 0.000 1.170 32 P CA 1.736 64.878 63.100 0.070 0.000 0.889 32 P CB 0.325 32.064 31.700 0.066 0.000 0.782 33 A N -1.274 121.571 122.820 0.042 0.000 2.572 33 A HA 0.640 4.960 4.320 0.000 0.000 0.295 33 A C -1.133 176.471 177.584 0.033 0.000 1.072 33 A CA -0.585 51.472 52.037 0.033 0.000 0.691 33 A CB 0.799 19.816 19.000 0.028 0.000 1.291 33 A HN 0.066 nan 8.150 nan 0.000 0.404 34 I N -1.706 118.887 120.570 0.038 0.000 2.797 34 I HA 0.695 4.865 4.170 0.000 0.000 0.307 34 I C -0.322 175.823 176.117 0.046 0.000 1.033 34 I CA -0.865 60.463 61.300 0.048 0.000 1.071 34 I CB 1.243 39.287 38.000 0.072 0.000 1.255 34 I HN 0.482 nan 8.210 nan 0.000 0.445 35 D N 2.585 123.004 120.400 0.032 0.000 2.412 35 D HA 0.188 4.828 4.640 0.000 0.000 0.257 35 D C -0.376 175.946 176.300 0.038 0.000 1.217 35 D CA 0.573 54.586 54.000 0.022 0.000 0.897 35 D CB 0.514 41.313 40.800 -0.002 0.000 1.132 35 D HN 0.667 nan 8.370 nan 0.000 0.493 36 L N 3.969 125.216 121.223 0.040 0.000 3.186 36 L HA 0.268 4.608 4.340 0.000 0.000 0.292 36 L C 0.026 176.911 176.870 0.025 0.000 1.303 36 L CA -0.469 54.402 54.840 0.051 0.000 0.940 36 L CB -0.068 42.038 42.059 0.079 0.000 1.358 36 L HN 0.225 nan 8.230 nan 0.000 0.581 37 K N 0.486 120.891 120.400 0.008 0.000 2.350 37 K HA 0.219 4.539 4.320 0.000 0.000 0.279 37 K C -1.632 174.968 176.600 -0.001 0.000 1.027 37 K CA -1.314 54.974 56.287 0.002 0.000 0.969 37 K CB 1.285 33.782 32.500 -0.005 0.000 0.954 37 K HN -0.003 nan 8.250 nan 0.000 0.474 38 P HA -0.191 nan 4.420 nan 0.000 0.214 38 P C 0.990 178.287 177.300 -0.004 0.000 1.163 38 P CA 1.628 64.728 63.100 0.001 0.000 0.889 38 P CB 0.036 31.738 31.700 0.003 0.000 0.790 39 G N -0.499 108.298 108.800 -0.004 0.000 2.547 39 G HA2 -0.304 3.656 3.960 0.000 0.000 0.221 39 G HA3 -0.304 3.656 3.960 0.000 0.000 0.221 39 G C 1.623 176.516 174.900 -0.012 0.000 1.140 39 G CA 1.111 46.208 45.100 -0.005 0.000 0.760 39 G HN 0.223 nan 8.290 nan 0.000 0.583 40 V N 0.561 120.463 119.914 -0.019 0.000 2.871 40 V HA 0.031 4.151 4.120 0.000 0.000 0.256 40 V C 2.800 178.862 176.094 -0.054 0.000 1.082 40 V CA 0.971 63.250 62.300 -0.035 0.000 1.105 40 V CB -0.064 31.737 31.823 -0.037 0.000 0.713 40 V HN 0.359 nan 8.190 nan 0.000 0.473 41 L N 0.323 121.521 121.223 -0.042 0.000 2.187 41 L HA -0.188 4.152 4.340 0.000 0.000 0.213 41 L C 2.310 179.147 176.870 -0.055 0.000 1.100 41 L CA 1.633 56.440 54.840 -0.056 0.000 0.765 41 L CB -0.800 41.244 42.059 -0.025 0.000 0.904 41 L HN 0.470 nan 8.230 nan 0.000 0.437 42 N N 0.556 119.239 118.700 -0.029 0.000 2.004 42 N HA -0.110 4.630 4.740 0.000 0.000 0.196 42 N C -1.429 174.079 175.510 -0.003 0.000 1.064 42 N CA 0.581 53.626 53.050 -0.009 0.000 0.855 42 N CB -0.912 37.582 38.487 0.011 0.000 1.056 42 N HN 0.044 nan 8.380 nan 0.000 0.423 43 P HA -0.142 nan 4.420 nan 0.000 0.191 43 P C -0.493 176.853 177.300 0.077 0.000 0.906 43 P CA 0.953 64.079 63.100 0.043 0.000 1.011 43 P CB -0.122 31.598 31.700 0.033 0.000 1.090 44 T N 0.909 115.534 114.554 0.117 0.000 3.553 44 T HA 0.225 4.575 4.350 0.000 0.000 0.144 44 T C 0.322 175.109 174.700 0.145 0.000 0.676 44 T CA 0.478 62.647 62.100 0.114 0.000 0.824 44 T CB -0.662 68.270 68.868 0.107 0.000 0.880 44 T HN 0.226 nan 8.240 nan 0.000 0.260 45 G N 3.164 112.082 108.800 0.197 0.000 2.299 45 G HA2 0.437 4.397 3.960 0.000 0.000 0.256 45 G HA3 0.437 4.397 3.960 0.000 0.000 0.256 45 G C -0.297 174.755 174.900 0.252 0.000 1.259 45 G CA 0.140 45.384 45.100 0.239 0.000 0.943 45 G HN 0.559 nan 8.290 nan 0.000 0.479 46 K N 2.310 122.856 120.400 0.243 0.000 2.237 46 K HA 0.319 4.639 4.320 0.000 0.000 0.270 46 K C -0.147 176.530 176.600 0.127 0.000 1.015 46 K CA -0.593 55.749 56.287 0.092 0.000 0.949 46 K CB 0.967 33.403 32.500 -0.107 0.000 0.976 46 K HN 0.333 nan 8.250 nan 0.000 0.472 47 L N 5.043 126.289 121.223 0.038 0.000 2.290 47 L HA 0.414 4.754 4.340 0.000 0.000 0.284 47 L C -1.120 175.769 176.870 0.032 0.000 1.078 47 L CA -0.017 54.915 54.840 0.152 0.000 0.815 47 L CB 0.235 42.404 42.059 0.184 0.000 1.162 47 L HN 0.689 nan 8.230 nan 0.000 0.435 48 W N 4.327 125.698 121.300 0.119 0.000 3.307 48 W HA 0.731 5.391 4.660 0.000 0.000 0.325 48 W C -0.619 176.013 176.519 0.188 0.000 1.255 48 W CA -0.827 56.580 57.345 0.104 0.000 1.006 48 W CB 0.771 30.285 29.460 0.089 0.000 1.608 48 W HN 0.128 nan 8.180 nan 0.000 0.620 49 R N 0.595 121.334 120.500 0.398 0.000 2.604 49 R HA 0.256 4.596 4.340 0.000 0.000 0.270 49 R C -2.789 173.544 176.300 0.055 0.000 1.052 49 R CA -2.521 53.743 56.100 0.274 0.000 0.902 49 R CB 0.969 31.371 30.300 0.170 0.000 1.233 49 R HN 0.063 nan 8.270 nan 0.000 0.455 50 P HA 0.021 nan 4.420 nan 0.000 0.244 50 P C 0.474 177.756 177.300 -0.029 0.000 1.723 50 P CA 0.362 63.396 63.100 -0.110 0.000 1.110 50 P CB 0.107 31.759 31.700 -0.081 0.000 1.972 51 V N 1.859 121.756 119.914 -0.029 0.000 0.588 51 V HA -0.376 3.744 4.120 0.000 0.000 0.092 51 V C 1.730 177.834 176.094 0.016 0.000 1.830 51 V CA 2.579 64.877 62.300 -0.003 0.000 3.401 51 V CB -2.313 29.502 31.823 -0.012 0.000 0.689 51 V HN 0.597 nan 8.190 nan 0.000 0.712 52 G N -1.938 106.874 108.800 0.020 0.000 3.990 52 G HA2 0.219 4.179 3.960 0.000 0.000 0.213 52 G HA3 0.219 4.179 3.960 0.000 0.000 0.213 52 G C 0.169 175.086 174.900 0.029 0.000 0.849 52 G CA 0.897 46.014 45.100 0.028 0.000 0.857 52 G HN 1.467 nan 8.290 nan 0.000 0.484 53 T N 0.964 115.530 114.554 0.021 0.000 2.698 53 T HA 0.540 4.890 4.350 0.000 0.000 0.295 53 T C 1.398 176.116 174.700 0.031 0.000 1.007 53 T CA 0.712 62.825 62.100 0.021 0.000 0.980 53 T CB 0.883 69.758 68.868 0.012 0.000 1.036 53 T HN 1.001 nan 8.240 nan 0.000 0.526 54 S N -0.438 115.279 115.700 0.029 0.000 2.650 54 S HA 0.187 4.657 4.470 0.000 0.000 0.251 54 S C 0.371 174.996 174.600 0.041 0.000 1.325 54 S CA -0.952 57.270 58.200 0.036 0.000 0.967 54 S CB -0.338 62.877 63.200 0.026 0.000 1.000 54 S HN 0.677 nan 8.310 nan 0.000 0.584 55 V N 1.494 121.435 119.914 0.045 0.000 2.326 55 V HA 0.529 4.649 4.120 0.000 0.000 0.249 55 V C 0.860 176.973 176.094 0.033 0.000 1.114 55 V CA 0.675 63.008 62.300 0.055 0.000 1.028 55 V CB -0.948 30.912 31.823 0.062 0.000 1.170 55 V HN 1.046 nan 8.190 nan 0.000 0.494 56 A N 3.395 126.228 122.820 0.022 0.000 1.472 56 A HA 0.086 4.406 4.320 0.000 0.000 0.214 56 A C 1.622 179.197 177.584 -0.014 0.000 1.836 56 A CA 0.596 52.636 52.037 0.005 0.000 1.436 56 A CB -0.023 18.979 19.000 0.003 0.000 1.362 56 A HN 0.596 nan 8.150 nan 0.000 0.359 57 T N 0.669 115.210 114.554 -0.022 0.000 3.541 57 T HA 0.125 4.475 4.350 0.000 0.000 0.255 57 T C 1.421 176.059 174.700 -0.104 0.000 1.158 57 T CA 0.843 62.913 62.100 -0.051 0.000 1.000 57 T CB -1.077 67.766 68.868 -0.043 0.000 1.008 57 T HN 0.377 nan 8.240 nan 0.000 0.568 58 I N 2.926 123.430 120.570 -0.110 0.000 2.229 58 I HA -0.337 3.833 4.170 0.000 0.000 0.250 58 I C 2.693 178.680 176.117 -0.216 0.000 1.096 58 I CA 1.980 63.169 61.300 -0.185 0.000 1.358 58 I CB -0.708 37.246 38.000 -0.077 0.000 1.047 58 I HN 0.467 nan 8.210 nan 0.000 0.422 59 D N 0.297 120.615 120.400 -0.137 0.000 2.239 59 D HA -0.151 4.489 4.640 0.000 0.000 0.202 59 D C 0.664 176.877 176.300 -0.145 0.000 0.993 59 D CA 1.035 54.959 54.000 -0.125 0.000 0.874 59 D CB -0.120 40.631 40.800 -0.081 0.000 0.922 59 D HN 0.357 nan 8.370 nan 0.000 0.464 60 S N -0.258 115.346 115.700 -0.159 0.000 2.561 60 S HA 0.571 5.041 4.470 0.000 0.000 0.303 60 S C -0.367 174.124 174.600 -0.182 0.000 1.110 60 S CA -0.851 57.266 58.200 -0.138 0.000 1.034 60 S CB 1.903 65.057 63.200 -0.076 0.000 1.010 60 S HN 0.166 nan 8.310 nan 0.000 0.482 61 L N 2.168 123.289 121.223 -0.171 0.000 2.386 61 L HA 0.874 5.214 4.340 0.000 0.000 0.271 61 L C -0.188 176.822 176.870 0.233 0.000 0.993 61 L CA -1.032 53.768 54.840 -0.066 0.000 0.819 61 L CB 1.786 43.680 42.059 -0.275 0.000 1.294 61 L HN 0.664 nan 8.230 nan 0.000 0.414 62 A N 3.025 125.997 122.820 0.253 0.000 2.304 62 A HA 0.762 5.082 4.320 0.000 0.000 0.323 62 A C -0.223 177.480 177.584 0.198 0.000 1.195 62 A CA -0.636 51.535 52.037 0.223 0.000 0.826 62 A CB 0.601 19.644 19.000 0.071 0.000 1.184 62 A HN 0.716 nan 8.150 nan 0.000 0.496 63 I N 1.958 122.482 120.570 -0.077 0.000 2.710 63 I HA 0.344 4.514 4.170 0.000 0.000 0.286 63 I C 0.865 176.828 176.117 -0.257 0.000 1.181 63 I CA -0.605 60.476 61.300 -0.365 0.000 1.430 63 I CB -0.245 37.325 38.000 -0.716 0.000 1.367 63 I HN 0.598 nan 8.210 nan 0.000 0.577 64 V N 2.466 122.232 119.914 -0.246 0.000 3.803 64 V HA 0.008 4.128 4.120 0.000 0.000 0.300 64 V C 0.925 176.758 176.094 -0.434 0.000 1.111 64 V CA -0.009 62.132 62.300 -0.266 0.000 1.189 64 V CB 0.609 32.321 31.823 -0.186 0.000 1.118 64 V HN 1.003 nan 8.190 nan 0.000 0.486 65 S N 1.244 116.651 115.700 -0.488 0.000 3.517 65 S HA 0.114 4.584 4.470 0.000 0.000 0.284 65 S C 0.967 175.053 174.600 -0.856 0.000 1.260 65 S CA 0.020 57.842 58.200 -0.630 0.000 0.975 65 S CB -1.139 61.704 63.200 -0.595 0.000 1.540 65 S HN 1.046 nan 8.310 nan 0.000 0.506 66 D N 4.500 124.378 120.400 -0.870 0.000 2.178 66 D HA -0.210 4.430 4.640 0.000 0.000 0.201 66 D C 1.700 177.602 176.300 -0.664 0.000 0.980 66 D CA 0.794 54.129 54.000 -1.108 0.000 0.842 66 D CB -0.287 40.039 40.800 -0.789 0.000 0.948 66 D HN 0.530 nan 8.370 nan 0.000 0.472 67 R N -0.308 119.826 120.500 -0.611 0.000 2.224 67 R HA -0.235 4.105 4.340 0.000 0.000 0.255 67 R C 1.052 177.117 176.300 -0.392 0.000 1.130 67 R CA 2.623 58.390 56.100 -0.556 0.000 0.957 67 R CB -0.471 29.377 30.300 -0.754 0.000 0.907 67 R HN 0.524 nan 8.270 nan 0.000 0.446 68 F N -5.001 114.911 119.950 -0.062 0.000 3.083 68 F HA 0.548 5.075 4.527 0.000 0.000 0.355 68 F C 0.149 176.000 175.800 0.086 0.000 1.194 68 F CA -0.143 57.875 58.000 0.029 0.000 1.027 68 F CB 0.187 39.198 39.000 0.018 0.000 1.386 68 F HN 0.084 nan 8.300 nan 0.000 0.513 69 G N -0.032 108.717 108.800 -0.084 0.000 2.619 69 G HA2 0.332 4.292 3.960 0.000 0.000 0.146 69 G HA3 0.332 4.292 3.960 0.000 0.000 0.146 69 G C -1.383 173.023 174.900 -0.823 0.000 1.192 69 G CA -0.723 44.340 45.100 -0.063 0.000 1.063 69 G HN -0.031 nan 8.290 nan 0.000 0.538 70 Q N 0.717 119.501 119.800 -1.693 0.000 3.970 70 Q HA -0.034 4.306 4.340 0.000 0.000 0.367 70 Q C -0.807 174.636 176.000 -0.930 0.000 1.189 70 Q CA 0.977 55.724 55.803 -1.759 0.000 1.212 70 Q CB -1.007 27.241 28.738 -0.817 0.000 1.037 70 Q HN 0.452 nan 8.270 nan 0.000 0.474 71 Y N -0.811 119.085 120.300 -0.674 0.000 2.780 71 Y HA 0.414 4.964 4.550 0.000 0.000 0.340 71 Y C 1.289 177.195 175.900 0.011 0.000 1.216 71 Y CA -1.178 56.831 58.100 -0.153 0.000 1.245 71 Y CB 0.608 39.082 38.460 0.024 0.000 1.492 71 Y HN 0.242 nan 8.280 nan 0.000 0.660 72 S N 0.634 116.476 115.700 0.236 0.000 2.560 72 S HA -0.069 4.401 4.470 0.000 0.000 0.276 72 S C -0.607 174.052 174.600 0.097 0.000 1.350 72 S CA -0.426 57.862 58.200 0.146 0.000 1.024 72 S CB -0.223 63.041 63.200 0.108 0.000 0.864 72 S HN 0.361 nan 8.310 nan 0.000 0.536 73 F N 3.082 123.115 119.950 0.139 0.000 2.539 73 F HA 0.046 4.573 4.527 0.000 0.000 0.393 73 F C 0.315 176.157 175.800 0.070 0.000 1.032 73 F CA -0.036 58.027 58.000 0.106 0.000 1.120 73 F CB -0.197 38.855 39.000 0.086 0.000 1.014 73 F HN 0.218 nan 8.300 nan 0.000 0.546 74 V N 5.803 125.019 119.914 -1.162 0.000 2.763 74 V HA -0.132 3.988 4.120 0.000 0.000 0.306 74 V C 0.704 176.595 176.094 -0.339 0.000 1.059 74 V CA -0.546 61.403 62.300 -0.585 0.000 1.138 74 V CB 0.348 31.884 31.823 -0.478 0.000 0.940 74 V HN 0.675 nan 8.190 nan 0.000 0.489 75 N N 3.309 121.896 118.700 -0.188 0.000 2.399 75 N HA -0.049 4.691 4.740 0.000 0.000 0.284 75 N C 1.246 176.689 175.510 -0.113 0.000 1.283 75 N CA 0.489 53.471 53.050 -0.114 0.000 0.972 75 N CB 0.033 38.432 38.487 -0.146 0.000 1.328 75 N HN 0.834 nan 8.380 nan 0.000 0.486 76 E N 2.544 122.736 120.200 -0.014 0.000 2.172 76 E HA -0.289 4.061 4.350 0.000 0.000 0.213 76 E C 1.371 177.929 176.600 -0.069 0.000 1.051 76 E CA 1.966 58.364 56.400 -0.003 0.000 0.860 76 E CB -0.114 29.621 29.700 0.058 0.000 0.755 76 E HN 0.783 nan 8.360 nan 0.000 0.462 77 G N 0.509 109.253 108.800 -0.094 0.000 2.394 77 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 77 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 77 G C 1.492 176.249 174.900 -0.239 0.000 1.165 77 G CA 0.718 45.739 45.100 -0.131 0.000 0.784 77 G HN 0.267 nan 8.290 nan 0.000 0.535 78 M N 1.155 120.560 119.600 -0.325 0.000 2.132 78 M HA -0.072 4.408 4.480 0.000 0.000 0.263 78 M C 2.868 178.815 176.300 -0.588 0.000 1.065 78 M CA 1.739 56.667 55.300 -0.620 0.000 1.122 78 M CB -0.148 32.094 32.600 -0.596 0.000 1.365 78 M HN 0.355 nan 8.290 nan 0.000 0.411 79 R N 0.049 120.361 120.500 -0.314 0.000 2.094 79 R HA -0.194 4.146 4.340 0.000 0.000 0.239 79 R C 1.738 177.946 176.300 -0.153 0.000 1.137 79 R CA 2.065 58.050 56.100 -0.191 0.000 0.943 79 R CB -1.203 29.020 30.300 -0.128 0.000 0.850 79 R HN 0.500 nan 8.270 nan 0.000 0.433 80 E N 0.678 120.790 120.200 -0.147 0.000 2.051 80 E HA -0.171 4.179 4.350 0.000 0.000 0.192 80 E C 2.292 178.806 176.600 -0.143 0.000 0.991 80 E CA 2.054 58.382 56.400 -0.120 0.000 0.799 80 E CB -0.218 29.432 29.700 -0.084 0.000 0.748 80 E HN 0.670 nan 8.360 nan 0.000 0.449 81 T N 0.139 114.595 114.554 -0.163 0.000 2.622 81 T HA -0.193 4.157 4.350 0.000 0.000 0.266 81 T C 1.829 176.554 174.700 0.041 0.000 1.047 81 T CA 1.183 63.218 62.100 -0.107 0.000 1.159 81 T CB -0.624 68.151 68.868 -0.155 0.000 0.863 81 T HN -0.031 nan 8.240 nan 0.000 0.422 82 F N 1.994 121.834 119.950 -0.183 0.000 2.120 82 F HA -0.025 4.502 4.527 0.000 0.000 0.300 82 F C 3.210 178.835 175.800 -0.292 0.000 1.095 82 F CA 0.500 58.371 58.000 -0.214 0.000 1.249 82 F CB -1.665 37.217 39.000 -0.197 0.000 0.995 82 F HN 0.318 nan 8.300 nan 0.000 0.480 83 S N -0.108 115.491 115.700 -0.168 0.000 2.370 83 S HA -0.176 4.294 4.470 0.000 0.000 0.226 83 S C 2.219 176.238 174.600 -0.969 0.000 1.033 83 S CA 1.183 59.115 58.200 -0.446 0.000 1.011 83 S CB -0.121 62.863 63.200 -0.361 0.000 0.852 83 S HN 0.160 nan 8.310 nan 0.000 0.457 84 K N 1.688 121.643 120.400 -0.742 0.000 2.063 84 K HA 0.011 4.331 4.320 0.000 0.000 0.208 84 K C 2.374 178.782 176.600 -0.319 0.000 1.048 84 K CA 1.351 57.255 56.287 -0.639 0.000 0.928 84 K CB -1.319 31.049 32.500 -0.219 0.000 0.713 84 K HN 0.465 nan 8.250 nan 0.000 0.442 85 A N 1.679 124.382 122.820 -0.194 0.000 1.883 85 A HA -0.175 4.145 4.320 0.000 0.000 0.217 85 A C 2.251 179.778 177.584 -0.095 0.000 1.186 85 A CA 1.556 53.532 52.037 -0.101 0.000 0.624 85 A CB -0.713 18.226 19.000 -0.102 0.000 0.822 85 A HN 0.235 nan 8.150 nan 0.000 0.444 86 L N -0.663 120.464 121.223 -0.160 0.000 2.127 86 L HA -0.123 4.217 4.340 0.000 0.000 0.211 86 L C 2.178 179.118 176.870 0.116 0.000 1.089 86 L CA 1.690 56.492 54.840 -0.064 0.000 0.757 86 L CB -0.705 41.300 42.059 -0.090 0.000 0.899 86 L HN 0.500 nan 8.230 nan 0.000 0.434 87 F N -0.567 119.361 119.950 -0.037 0.000 2.186 87 F HA -0.222 4.305 4.527 0.000 0.000 0.299 87 F C 2.071 177.846 175.800 -0.042 0.000 1.090 87 F CA 0.468 58.443 58.000 -0.042 0.000 1.307 87 F CB -0.534 38.441 39.000 -0.043 0.000 1.019 87 F HN 0.160 nan 8.300 nan 0.000 0.489 88 D N 1.193 121.686 120.400 0.155 0.000 2.154 88 D HA -0.238 4.402 4.640 0.000 0.000 0.190 88 D C 2.163 178.602 176.300 0.231 0.000 1.003 88 D CA 1.619 55.684 54.000 0.108 0.000 0.849 88 D CB -0.243 40.637 40.800 0.133 0.000 0.942 88 D HN 0.095 nan 8.370 nan 0.000 0.446 89 I N 0.748 121.438 120.570 0.200 0.000 2.286 89 I HA -0.206 3.964 4.170 0.000 0.000 0.248 89 I C 1.629 177.797 176.117 0.086 0.000 1.115 89 I CA 1.236 62.606 61.300 0.116 0.000 1.392 89 I CB -1.335 36.552 38.000 -0.189 0.000 1.065 89 I HN 0.155 nan 8.210 nan 0.000 0.418 90 N N 1.116 119.854 118.700 0.063 0.000 2.205 90 N HA -0.190 4.550 4.740 0.000 0.000 0.186 90 N C 1.823 177.364 175.510 0.052 0.000 1.015 90 N CA 1.115 54.189 53.050 0.039 0.000 0.862 90 N CB -0.251 38.254 38.487 0.030 0.000 0.986 90 N HN 0.392 nan 8.380 nan 0.000 0.429 91 M N -0.719 118.906 119.600 0.041 0.000 2.267 91 M HA -0.126 4.354 4.480 0.000 0.000 0.263 91 M C 0.807 177.157 176.300 0.083 0.000 1.063 91 M CA 1.257 56.512 55.300 -0.075 0.000 1.090 91 M CB -0.078 32.330 32.600 -0.320 0.000 1.392 91 M HN 0.283 nan 8.290 nan 0.000 0.422 92 W N 0.509 121.909 121.300 0.168 0.000 3.102 92 W HA 0.218 4.878 4.660 0.000 0.000 0.401 92 W C 1.564 178.272 176.519 0.315 0.000 1.070 92 W CA -0.330 57.198 57.345 0.306 0.000 1.921 92 W CB -0.421 29.372 29.460 0.555 0.000 1.118 92 W HN 0.418 nan 8.180 nan 0.000 0.647 93 Q N 1.563 121.566 119.800 0.339 0.000 2.096 93 Q HA -0.218 4.122 4.340 0.000 0.000 0.208 93 Q C -0.129 176.000 176.000 0.215 0.000 0.993 93 Q CA 2.443 58.377 55.803 0.219 0.000 0.862 93 Q CB -0.880 27.914 28.738 0.093 0.000 0.915 93 Q HN 0.022 nan 8.270 nan 0.000 0.416 94 P HA -0.182 nan 4.420 nan 0.000 0.218 94 P C 1.247 178.581 177.300 0.057 0.000 1.148 94 P CA 1.015 64.176 63.100 0.101 0.000 0.822 94 P CB 0.007 31.752 31.700 0.075 0.000 0.784 95 L N -1.429 119.849 121.223 0.092 0.000 2.068 95 L HA 0.076 4.416 4.340 0.000 0.000 0.204 95 L C 2.529 179.320 176.870 -0.132 0.000 1.076 95 L CA 1.409 56.168 54.840 -0.134 0.000 0.753 95 L CB -1.540 40.352 42.059 -0.279 0.000 0.910 95 L HN -0.263 nan 8.230 nan 0.000 0.439 96 F N 0.343 120.329 119.950 0.061 0.000 2.063 96 F HA -0.348 4.179 4.527 0.000 0.000 0.298 96 F C 2.741 178.565 175.800 0.040 0.000 1.109 96 F CA 2.251 60.344 58.000 0.155 0.000 1.212 96 F CB -0.560 38.559 39.000 0.199 0.000 0.973 96 F HN 0.207 nan 8.300 nan 0.000 0.480 97 Q N -0.657 119.276 119.800 0.222 0.000 2.096 97 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 97 Q C 2.405 178.419 176.000 0.023 0.000 0.982 97 Q CA 1.661 57.528 55.803 0.107 0.000 0.850 97 Q CB -0.421 28.367 28.738 0.082 0.000 0.901 97 Q HN 0.469 nan 8.270 nan 0.000 0.422 98 A N 0.271 123.070 122.820 -0.035 0.000 1.969 98 A HA -0.142 4.178 4.320 0.000 0.000 0.218 98 A C 2.119 179.617 177.584 -0.144 0.000 1.169 98 A CA 1.687 53.663 52.037 -0.101 0.000 0.635 98 A CB -0.740 18.160 19.000 -0.167 0.000 0.810 98 A HN 0.539 nan 8.150 nan 0.000 0.445 99 T N -3.213 111.231 114.554 -0.183 0.000 3.163 99 T HA 0.087 4.437 4.350 0.000 0.000 0.260 99 T C 0.704 175.365 174.700 -0.064 0.000 1.156 99 T CA 0.799 62.795 62.100 -0.174 0.000 1.072 99 T CB -0.385 68.351 68.868 -0.220 0.000 0.937 99 T HN 0.418 nan 8.240 nan 0.000 0.528 100 K N 1.364 121.754 120.400 -0.018 0.000 2.975 100 K HA -0.144 4.176 4.320 0.000 0.000 0.257 100 K C 0.442 177.068 176.600 0.043 0.000 1.005 100 K CA 1.203 57.501 56.287 0.018 0.000 0.738 100 K CB -2.415 30.087 32.500 0.003 0.000 1.236 100 K HN 0.773 nan 8.250 nan 0.000 0.483 101 T N -2.807 111.794 114.554 0.079 0.000 3.285 101 T HA 0.442 4.792 4.350 0.000 0.000 0.232 101 T C 1.112 175.922 174.700 0.183 0.000 0.973 101 T CA -0.191 61.969 62.100 0.100 0.000 1.023 101 T CB 0.603 69.489 68.868 0.030 0.000 1.158 101 T HN 0.623 nan 8.240 nan 0.000 0.590 102 G N 0.307 109.185 108.800 0.129 0.000 2.258 102 G HA2 -0.369 3.591 3.960 0.000 0.000 0.274 102 G HA3 -0.369 3.591 3.960 0.000 0.000 0.274 102 G C 1.339 176.318 174.900 0.131 0.000 1.021 102 G CA 0.089 45.257 45.100 0.113 0.000 0.798 102 G HN 0.816 nan 8.290 nan 0.000 0.507 103 C N 0.274 119.684 119.300 0.183 0.000 2.396 103 C HA 0.124 4.584 4.460 0.000 0.000 0.279 103 C C 2.593 177.601 174.990 0.030 0.000 1.229 103 C CA 1.358 60.468 59.018 0.154 0.000 1.801 103 C CB -1.270 26.588 27.740 0.197 0.000 2.050 103 C HN 1.758 nan 8.230 nan 0.000 0.491 104 G N 3.371 112.197 108.800 0.043 0.000 2.193 104 G HA2 0.157 4.117 3.960 0.000 0.000 0.275 104 G HA3 0.157 4.117 3.960 0.000 0.000 0.275 104 G C -1.648 173.260 174.900 0.013 0.000 0.882 104 G CA -0.184 44.933 45.100 0.028 0.000 1.135 104 G HN 0.718 nan 8.290 nan 0.000 0.349 105 P HA -0.067 nan 4.420 nan 0.000 0.253 105 P C 1.435 178.755 177.300 0.033 0.000 1.170 105 P CA -0.092 63.011 63.100 0.005 0.000 0.806 105 P CB 0.479 32.187 31.700 0.013 0.000 0.775 106 I N 3.940 124.529 120.570 0.030 0.000 2.188 106 I HA -0.367 3.803 4.170 0.000 0.000 0.246 106 I C 1.207 177.395 176.117 0.118 0.000 1.033 106 I CA 2.020 63.365 61.300 0.074 0.000 1.307 106 I CB -0.785 37.237 38.000 0.037 0.000 1.005 106 I HN 0.431 nan 8.210 nan 0.000 0.421 107 V N -1.378 118.585 119.914 0.081 0.000 5.981 107 V HA -0.247 3.873 4.120 0.000 0.000 0.233 107 V C 0.882 177.046 176.094 0.116 0.000 0.653 107 V CA 0.565 62.919 62.300 0.092 0.000 0.677 107 V CB -2.117 29.756 31.823 0.083 0.000 0.632 107 V HN 0.359 nan 8.190 nan 0.000 0.464 108 L N 3.612 124.850 121.223 0.024 0.000 2.103 108 L HA -0.202 4.138 4.340 0.000 0.000 0.215 108 L C 2.799 179.684 176.870 0.025 0.000 1.080 108 L CA 3.100 57.898 54.840 -0.070 0.000 0.764 108 L CB -0.388 41.606 42.059 -0.109 0.000 0.890 108 L HN 1.240 nan 8.230 nan 0.000 0.435 109 S N -2.394 113.332 115.700 0.043 0.000 2.407 109 S HA -0.261 4.209 4.470 0.000 0.000 0.235 109 S C 1.980 176.620 174.600 0.067 0.000 1.036 109 S CA 1.593 59.818 58.200 0.042 0.000 1.013 109 S CB -0.936 62.289 63.200 0.042 0.000 0.820 109 S HN 0.535 nan 8.310 nan 0.000 0.476 110 S N 1.442 117.218 115.700 0.128 0.000 2.402 110 S HA 0.088 4.558 4.470 0.000 0.000 0.229 110 S C 1.351 176.017 174.600 0.110 0.000 1.021 110 S CA 1.173 59.436 58.200 0.105 0.000 0.974 110 S CB -0.535 62.722 63.200 0.095 0.000 0.800 110 S HN 0.583 nan 8.310 nan 0.000 0.484 111 F N 2.235 122.136 119.950 -0.081 0.000 2.206 111 F HA 0.015 4.542 4.527 0.000 0.000 0.298 111 F C 1.965 177.619 175.800 -0.243 0.000 1.090 111 F CA 0.633 58.561 58.000 -0.120 0.000 1.323 111 F CB -1.492 37.455 39.000 -0.089 0.000 1.028 111 F HN 0.080 nan 8.300 nan 0.000 0.492 112 T N 0.349 114.883 114.554 -0.034 0.000 3.738 112 T HA 0.172 4.522 4.350 0.000 0.000 0.231 112 T C 0.211 174.760 174.700 -0.252 0.000 0.967 112 T CA -0.366 61.616 62.100 -0.197 0.000 1.227 112 T CB -1.295 67.497 68.868 -0.127 0.000 1.136 112 T HN 0.136 nan 8.240 nan 0.000 0.807 113 T N 0.678 114.915 114.554 -0.528 0.000 2.928 113 T HA 0.530 4.880 4.350 0.000 0.000 0.284 113 T C 0.589 175.166 174.700 -0.206 0.000 1.008 113 T CA -1.003 60.850 62.100 -0.411 0.000 1.057 113 T CB 1.164 69.796 68.868 -0.394 0.000 1.018 113 T HN 0.649 nan 8.240 nan 0.000 0.493 114 T N -0.182 114.425 114.554 0.089 0.000 2.902 114 T HA 0.313 4.663 4.350 0.000 0.000 0.301 114 T C 0.085 175.020 174.700 0.391 0.000 1.012 114 T CA -0.497 61.721 62.100 0.196 0.000 1.151 114 T CB 0.292 69.251 68.868 0.150 0.000 0.946 114 T HN 0.718 nan 8.240 nan 0.000 0.542 115 T N 2.303 117.083 114.554 0.377 0.000 2.807 115 T HA 0.548 4.898 4.350 0.000 0.000 0.279 115 T C -0.847 173.986 174.700 0.221 0.000 0.993 115 T CA -0.612 61.683 62.100 0.326 0.000 0.970 115 T CB 1.164 70.260 68.868 0.379 0.000 0.950 115 T HN 0.771 nan 8.240 nan 0.000 0.441 116 S N 2.927 118.717 115.700 0.149 0.000 2.779 116 S HA 0.789 5.259 4.470 0.000 0.000 0.293 116 S C 0.073 174.719 174.600 0.076 0.000 1.150 116 S CA 0.357 58.617 58.200 0.100 0.000 1.057 116 S CB 0.403 63.650 63.200 0.078 0.000 1.021 116 S HN 1.275 nan 8.310 nan 0.000 0.485 117 G N 3.510 112.333 108.800 0.039 0.000 2.534 117 G HA2 0.160 4.120 3.960 0.000 0.000 0.142 117 G HA3 0.160 4.120 3.960 0.000 0.000 0.142 117 G C -1.971 172.850 174.900 -0.131 0.000 1.178 117 G CA -0.613 44.479 45.100 -0.014 0.000 1.037 117 G HN 0.515 nan 8.290 nan 0.000 0.474 118 Y N 0.345 120.736 120.300 0.151 0.000 2.308 118 Y HA 0.539 5.089 4.550 0.000 0.000 0.329 118 Y C 0.511 176.562 175.900 0.253 0.000 1.111 118 Y CA -0.414 57.773 58.100 0.145 0.000 1.179 118 Y CB 1.968 40.474 38.460 0.076 0.000 1.201 118 Y HN 0.261 nan 8.280 nan 0.000 0.483 119 V N 3.053 123.124 119.914 0.262 0.000 2.334 119 V HA 0.863 4.983 4.120 0.000 0.000 0.281 119 V C 0.210 176.440 176.094 0.227 0.000 1.016 119 V CA -0.494 61.969 62.300 0.272 0.000 0.832 119 V CB 0.683 32.617 31.823 0.185 0.000 0.999 119 V HN 0.939 nan 8.190 nan 0.000 0.439 120 G N 2.352 111.359 108.800 0.344 0.000 2.616 120 G HA2 0.574 4.534 3.960 0.000 0.000 0.294 120 G HA3 0.574 4.534 3.960 0.000 0.000 0.294 120 G C 0.344 175.477 174.900 0.389 0.000 1.489 120 G CA 0.123 45.365 45.100 0.236 0.000 0.836 120 G HN 0.758 nan 8.290 nan 0.000 0.527 121 A N 0.147 123.107 122.820 0.233 0.000 1.884 121 A HA 0.234 4.554 4.320 0.000 0.000 0.219 121 A C 1.776 179.530 177.584 0.283 0.000 1.197 121 A CA 2.715 54.888 52.037 0.228 0.000 0.637 121 A CB -0.979 18.101 19.000 0.133 0.000 0.827 121 A HN 2.002 nan 8.150 nan 0.000 0.450 122 T N -5.225 109.427 114.554 0.164 0.000 2.918 122 T HA 0.677 5.027 4.350 0.000 0.000 0.286 122 T C 1.014 175.589 174.700 -0.207 0.000 1.026 122 T CA -0.039 62.127 62.100 0.111 0.000 1.031 122 T CB 1.687 70.582 68.868 0.045 0.000 1.046 122 T HN 0.806 nan 8.240 nan 0.000 0.479 123 A N 2.495 125.082 122.820 -0.388 0.000 1.881 123 A HA 0.005 4.325 4.320 0.000 0.000 0.219 123 A C 2.440 179.730 177.584 -0.489 0.000 1.215 123 A CA 2.777 54.335 52.037 -0.798 0.000 0.648 123 A CB -1.984 16.784 19.000 -0.386 0.000 0.832 123 A HN 1.481 nan 8.150 nan 0.000 0.455 124 G N 0.873 109.524 108.800 -0.248 0.000 2.859 124 G HA2 -0.514 3.446 3.960 0.000 0.000 0.236 124 G HA3 -0.514 3.446 3.960 0.000 0.000 0.236 124 G C 1.054 175.855 174.900 -0.164 0.000 1.207 124 G CA 2.371 47.373 45.100 -0.164 0.000 0.769 124 G HN 0.816 nan 8.290 nan 0.000 0.674 125 D N 0.887 121.209 120.400 -0.130 0.000 2.149 125 D HA 0.147 4.787 4.640 0.000 0.000 0.198 125 D C 2.421 178.651 176.300 -0.118 0.000 0.990 125 D CA 1.975 55.919 54.000 -0.094 0.000 0.839 125 D CB -0.712 40.069 40.800 -0.033 0.000 0.948 125 D HN 0.502 nan 8.370 nan 0.000 0.460 126 A N 0.414 123.087 122.820 -0.246 0.000 2.015 126 A HA -0.016 4.304 4.320 0.000 0.000 0.219 126 A C 2.334 179.788 177.584 -0.217 0.000 1.163 126 A CA 1.016 52.877 52.037 -0.294 0.000 0.646 126 A CB -0.903 17.576 19.000 -0.869 0.000 0.806 126 A HN 0.336 nan 8.150 nan 0.000 0.448 127 L N -0.404 120.629 121.223 -0.317 0.000 2.081 127 L HA -0.266 4.074 4.340 0.000 0.000 0.212 127 L C 1.855 178.699 176.870 -0.045 0.000 1.080 127 L CA 1.848 56.532 54.840 -0.260 0.000 0.754 127 L CB -0.813 41.102 42.059 -0.240 0.000 0.893 127 L HN 0.289 nan 8.230 nan 0.000 0.433 128 D N -0.852 119.540 120.400 -0.015 0.000 2.224 128 D HA -0.082 4.558 4.640 0.000 0.000 0.205 128 D C 0.714 177.057 176.300 0.071 0.000 0.965 128 D CA 0.763 54.781 54.000 0.031 0.000 0.852 128 D CB -0.129 40.667 40.800 -0.007 0.000 0.947 128 D HN 0.221 nan 8.370 nan 0.000 0.494 129 N N 0.359 119.122 118.700 0.105 0.000 2.483 129 N HA 0.276 5.016 4.740 0.000 0.000 0.267 129 N C -2.874 172.649 175.510 0.023 0.000 0.998 129 N CA -1.811 51.273 53.050 0.056 0.000 0.918 129 N CB 1.841 40.350 38.487 0.036 0.000 1.215 129 N HN -0.219 nan 8.380 nan 0.000 0.500 130 P HA 0.288 nan 4.420 nan 0.000 0.307 130 P C -1.284 175.872 177.300 -0.240 0.000 1.412 130 P CA -0.655 62.172 63.100 -0.454 0.000 0.985 130 P CB 2.110 33.289 31.700 -0.868 0.000 1.098 131 V N 3.219 123.027 119.914 -0.176 0.000 2.305 131 V HA 0.227 4.347 4.120 0.000 0.000 0.275 131 V C 0.611 176.663 176.094 -0.070 0.000 1.020 131 V CA -0.353 61.879 62.300 -0.113 0.000 0.811 131 V CB 1.065 32.821 31.823 -0.112 0.000 1.031 131 V HN 0.644 nan 8.190 nan 0.000 0.439 132 T N 1.394 115.903 114.554 -0.075 0.000 2.851 132 T HA 0.260 4.610 4.350 0.000 0.000 0.298 132 T C 0.534 175.240 174.700 0.009 0.000 0.977 132 T CA -0.161 61.921 62.100 -0.030 0.000 1.126 132 T CB 0.077 68.921 68.868 -0.040 0.000 0.916 132 T HN 0.740 nan 8.240 nan 0.000 0.529 133 N N 1.534 120.265 118.700 0.052 0.000 2.669 133 N HA -0.145 4.595 4.740 0.000 0.000 0.266 133 N C 0.613 176.195 175.510 0.120 0.000 1.024 133 N CA 0.744 53.847 53.050 0.088 0.000 0.766 133 N CB -1.005 37.522 38.487 0.066 0.000 0.898 133 N HN 1.005 nan 8.380 nan 0.000 0.548 134 G N -0.342 108.579 108.800 0.202 0.000 2.882 134 G HA2 0.703 4.663 3.960 0.000 0.000 0.164 134 G HA3 0.703 4.663 3.960 0.000 0.000 0.164 134 G C -0.213 174.902 174.900 0.358 0.000 1.429 134 G CA 0.146 45.473 45.100 0.379 0.000 1.059 134 G HN 0.825 nan 8.290 nan 0.000 0.581 135 V N -2.214 117.945 119.914 0.408 0.000 2.851 135 V HA 0.780 4.900 4.120 0.000 0.000 0.307 135 V C -0.879 175.095 176.094 -0.200 0.000 1.129 135 V CA -1.147 61.165 62.300 0.021 0.000 0.932 135 V CB 1.130 32.891 31.823 -0.104 0.000 1.024 135 V HN 1.016 nan 8.190 nan 0.000 0.426 136 F N 3.167 123.061 119.950 -0.094 0.000 2.594 136 F HA 0.942 5.469 4.527 0.000 0.000 0.335 136 F C -0.867 174.922 175.800 -0.017 0.000 1.058 136 F CA -1.549 56.413 58.000 -0.063 0.000 0.981 136 F CB 1.839 40.874 39.000 0.058 0.000 1.289 136 F HN 0.691 nan 8.300 nan 0.000 0.490 137 I N 1.455 122.028 120.570 0.006 0.000 2.686 137 I HA 0.438 4.608 4.170 0.000 0.000 0.295 137 I C -0.933 175.328 176.117 0.240 0.000 1.114 137 I CA -0.578 60.717 61.300 -0.008 0.000 1.038 137 I CB 2.133 40.079 38.000 -0.090 0.000 1.238 137 I HN 0.880 nan 8.210 nan 0.000 0.420 138 S N 3.269 119.148 115.700 0.299 0.000 2.554 138 S HA 0.221 4.691 4.470 0.000 0.000 0.278 138 S C 1.338 175.818 174.600 -0.200 0.000 1.242 138 S CA 0.195 58.455 58.200 0.099 0.000 1.051 138 S CB 1.299 64.811 63.200 0.520 0.000 0.986 138 S HN 0.847 nan 8.310 nan 0.000 0.502 139 T N 3.087 117.316 114.554 -0.542 0.000 2.620 139 T HA -0.209 4.141 4.350 0.000 0.000 0.267 139 T C 1.790 176.472 174.700 -0.029 0.000 1.044 139 T CA 2.215 64.168 62.100 -0.245 0.000 1.161 139 T CB -1.330 67.476 68.868 -0.104 0.000 0.862 139 T HN 0.511 nan 8.240 nan 0.000 0.438 140 V N 2.284 122.237 119.914 0.065 0.000 2.231 140 V HA -0.297 3.823 4.120 0.000 0.000 0.248 140 V C 3.022 179.186 176.094 0.116 0.000 1.054 140 V CA 2.417 64.779 62.300 0.102 0.000 1.015 140 V CB -1.190 30.721 31.823 0.148 0.000 0.638 140 V HN 0.551 nan 8.190 nan 0.000 0.444 141 Q N -0.052 119.844 119.800 0.160 0.000 2.030 141 Q HA -0.208 4.132 4.340 0.000 0.000 0.204 141 Q C 2.297 178.480 176.000 0.305 0.000 0.986 141 Q CA 2.394 58.358 55.803 0.268 0.000 0.843 141 Q CB -0.489 28.441 28.738 0.320 0.000 0.904 141 Q HN 0.862 nan 8.270 nan 0.000 0.420 142 I N -1.905 118.738 120.570 0.121 0.000 2.264 142 I HA -0.289 3.881 4.170 0.000 0.000 0.248 142 I C 2.466 178.583 176.117 -0.001 0.000 1.111 142 I CA 1.014 62.317 61.300 0.006 0.000 1.382 142 I CB -0.560 37.413 38.000 -0.045 0.000 1.060 142 I HN 0.200 nan 8.210 nan 0.000 0.418 143 M N 2.395 122.009 119.600 0.023 0.000 2.110 143 M HA -0.290 4.190 4.480 0.000 0.000 0.257 143 M C 1.999 178.319 176.300 0.034 0.000 1.071 143 M CA 2.428 57.739 55.300 0.019 0.000 1.096 143 M CB -1.331 31.288 32.600 0.032 0.000 1.300 143 M HN 0.421 nan 8.290 nan 0.000 0.411 144 N N -0.148 118.607 118.700 0.091 0.000 2.188 144 N HA -0.141 4.599 4.740 0.000 0.000 0.184 144 N C 1.564 177.158 175.510 0.141 0.000 1.018 144 N CA 1.092 54.212 53.050 0.116 0.000 0.858 144 N CB -0.222 38.351 38.487 0.144 0.000 0.989 144 N HN 0.210 nan 8.380 nan 0.000 0.426 145 L N 1.562 122.886 121.223 0.167 0.000 1.971 145 L HA -0.265 4.075 4.340 0.000 0.000 0.215 145 L C 1.985 178.763 176.870 -0.155 0.000 1.072 145 L CA 1.811 56.599 54.840 -0.088 0.000 0.758 145 L CB -0.769 40.991 42.059 -0.498 0.000 0.889 145 L HN 0.220 nan 8.230 nan 0.000 0.433 146 Q N -0.737 118.967 119.800 -0.160 0.000 2.096 146 Q HA -0.311 4.029 4.340 0.000 0.000 0.208 146 Q C 2.342 178.277 176.000 -0.109 0.000 0.993 146 Q CA 2.192 57.894 55.803 -0.168 0.000 0.862 146 Q CB -0.543 28.103 28.738 -0.153 0.000 0.915 146 Q HN 0.522 nan 8.270 nan 0.000 0.416 147 R N 0.498 120.964 120.500 -0.056 0.000 2.133 147 R HA -0.220 4.120 4.340 0.000 0.000 0.245 147 R C 2.140 178.422 176.300 -0.030 0.000 1.137 147 R CA 2.366 58.449 56.100 -0.030 0.000 0.947 147 R CB -0.618 29.681 30.300 -0.000 0.000 0.865 147 R HN 0.395 nan 8.270 nan 0.000 0.437 148 T N 0.933 115.475 114.554 -0.020 0.000 2.652 148 T HA -0.165 4.185 4.350 0.000 0.000 0.267 148 T C 2.096 176.765 174.700 -0.052 0.000 1.039 148 T CA 1.778 63.867 62.100 -0.017 0.000 1.153 148 T CB -0.456 68.418 68.868 0.011 0.000 0.863 148 T HN 0.259 nan 8.240 nan 0.000 0.428 149 I N 1.869 122.379 120.570 -0.099 0.000 2.208 149 I HA -0.210 3.960 4.170 0.000 0.000 0.245 149 I C 3.111 179.168 176.117 -0.101 0.000 1.097 149 I CA 1.277 62.502 61.300 -0.126 0.000 1.363 149 I CB -0.617 37.262 38.000 -0.202 0.000 1.051 149 I HN 0.285 nan 8.210 nan 0.000 0.413 150 A N 0.664 123.427 122.820 -0.095 0.000 1.933 150 A HA -0.176 4.144 4.320 0.000 0.000 0.218 150 A C 2.527 180.075 177.584 -0.061 0.000 1.175 150 A CA 1.905 53.895 52.037 -0.077 0.000 0.628 150 A CB -0.757 18.201 19.000 -0.070 0.000 0.814 150 A HN 0.453 nan 8.150 nan 0.000 0.444 151 A N -0.390 122.402 122.820 -0.046 0.000 1.930 151 A HA -0.115 4.205 4.320 0.000 0.000 0.217 151 A C 2.231 179.802 177.584 -0.022 0.000 1.175 151 A CA 1.419 53.438 52.037 -0.031 0.000 0.627 151 A CB -0.420 18.574 19.000 -0.010 0.000 0.815 151 A HN 0.544 nan 8.150 nan 0.000 0.443 152 R N -1.071 119.431 120.500 0.003 0.000 2.073 152 R HA -0.111 4.229 4.340 0.000 0.000 0.234 152 R C 2.290 178.588 176.300 -0.004 0.000 1.134 152 R CA 1.726 57.874 56.100 0.079 0.000 0.952 152 R CB -0.376 29.910 30.300 -0.024 0.000 0.850 152 R HN 0.428 nan 8.270 nan 0.000 0.433 153 M N 0.549 120.107 119.600 -0.070 0.000 2.080 153 M HA -0.178 4.302 4.480 0.000 0.000 0.260 153 M C 2.048 178.245 176.300 -0.170 0.000 1.068 153 M CA 1.806 57.038 55.300 -0.113 0.000 1.109 153 M CB -0.821 31.737 32.600 -0.071 0.000 1.342 153 M HN 0.137 nan 8.290 nan 0.000 0.405 154 R N -0.232 120.189 120.500 -0.132 0.000 2.280 154 R HA -0.101 4.239 4.340 0.000 0.000 0.207 154 R C 1.514 177.685 176.300 -0.215 0.000 1.043 154 R CA 1.177 57.189 56.100 -0.147 0.000 1.006 154 R CB -0.489 29.759 30.300 -0.088 0.000 0.885 154 R HN 0.376 nan 8.270 nan 0.000 0.467 155 D N 0.417 120.642 120.400 -0.291 0.000 2.234 155 D HA -0.084 4.556 4.640 0.000 0.000 0.205 155 D C 1.518 177.185 176.300 -1.056 0.000 0.962 155 D CA 0.429 54.129 54.000 -0.499 0.000 0.855 155 D CB 0.323 40.850 40.800 -0.456 0.000 0.951 155 D HN 0.037 nan 8.370 nan 0.000 0.500 156 V N -0.299 118.974 119.914 -1.070 0.000 3.406 156 V HA 0.231 4.351 4.120 0.000 0.000 0.263 156 V C 2.029 177.695 176.094 -0.714 0.000 1.172 156 V CA 1.078 62.495 62.300 -1.473 0.000 1.140 156 V CB -0.229 30.772 31.823 -1.369 0.000 0.784 156 V HN 0.276 nan 8.190 nan 0.000 0.467 157 A N 0.031 122.615 122.820 -0.393 0.000 2.032 157 A HA -0.174 4.146 4.320 0.000 0.000 0.221 157 A C 2.050 179.641 177.584 0.012 0.000 1.165 157 A CA 2.078 54.035 52.037 -0.133 0.000 0.645 157 A CB -0.399 18.544 19.000 -0.095 0.000 0.807 157 A HN 0.578 nan 8.150 nan 0.000 0.453 158 L N -2.501 118.757 121.223 0.059 0.000 2.131 158 L HA -0.131 4.209 4.340 0.000 0.000 0.206 158 L C 2.565 179.774 176.870 0.565 0.000 1.087 158 L CA 0.636 55.665 54.840 0.315 0.000 0.767 158 L CB -0.487 41.783 42.059 0.352 0.000 0.917 158 L HN 0.558 nan 8.230 nan 0.000 0.441 159 W N 0.790 122.190 121.300 0.167 0.000 2.379 159 W HA -0.113 4.547 4.660 0.000 0.000 0.307 159 W C 2.680 179.454 176.519 0.425 0.000 1.200 159 W CA 0.253 57.764 57.345 0.276 0.000 1.297 159 W CB -1.237 28.148 29.460 -0.125 0.000 1.140 159 W HN 0.163 nan 8.180 nan 0.000 0.507 160 Q N 0.459 120.503 119.800 0.406 0.000 2.062 160 Q HA -0.243 4.097 4.340 0.000 0.000 0.209 160 Q C 2.306 178.526 176.000 0.367 0.000 0.996 160 Q CA 1.895 57.947 55.803 0.414 0.000 0.859 160 Q CB -0.561 28.333 28.738 0.261 0.000 0.920 160 Q HN 0.049 nan 8.270 nan 0.000 0.415 161 K N 0.430 120.995 120.400 0.276 0.000 2.020 161 K HA -0.219 4.101 4.320 0.000 0.000 0.212 161 K C 1.879 178.574 176.600 0.158 0.000 1.050 161 K CA 1.920 58.307 56.287 0.166 0.000 0.929 161 K CB -0.376 32.187 32.500 0.105 0.000 0.714 161 K HN 0.392 nan 8.250 nan 0.000 0.443 162 H N 0.131 119.324 119.070 0.205 0.000 2.319 162 H HA -0.160 4.396 4.556 0.000 0.000 0.299 162 H C 1.937 177.313 175.328 0.079 0.000 1.092 162 H CA 1.807 57.917 56.048 0.104 0.000 1.302 162 H CB -0.152 29.665 29.762 0.091 0.000 1.373 162 H HN 0.102 nan 8.280 nan 0.000 0.497 163 L N 0.928 122.413 121.223 0.437 0.000 2.013 163 L HA -0.237 4.103 4.340 0.000 0.000 0.212 163 L C 1.451 178.493 176.870 0.286 0.000 1.073 163 L CA 1.964 57.065 54.840 0.435 0.000 0.753 163 L CB -0.477 41.983 42.059 0.669 0.000 0.890 163 L HN 0.226 nan 8.230 nan 0.000 0.432 164 D N -0.758 119.795 120.400 0.256 0.000 2.133 164 D HA -0.222 4.418 4.640 0.000 0.000 0.195 164 D C 2.263 178.621 176.300 0.096 0.000 0.997 164 D CA 2.072 56.167 54.000 0.159 0.000 0.840 164 D CB -0.639 40.252 40.800 0.152 0.000 0.947 164 D HN 0.649 nan 8.370 nan 0.000 0.452 165 T N -0.998 113.605 114.554 0.083 0.000 2.708 165 T HA -0.072 4.278 4.350 0.000 0.000 0.266 165 T C 2.121 176.853 174.700 0.054 0.000 1.037 165 T CA 1.812 63.938 62.100 0.043 0.000 1.146 165 T CB -0.529 68.340 68.868 0.001 0.000 0.865 165 T HN 0.114 nan 8.240 nan 0.000 0.435 166 A N 2.763 125.624 122.820 0.068 0.000 1.873 166 A HA -0.069 4.251 4.320 0.000 0.000 0.218 166 A C 2.549 180.191 177.584 0.096 0.000 1.193 166 A CA 2.330 54.417 52.037 0.084 0.000 0.629 166 A CB -0.868 18.187 19.000 0.091 0.000 0.826 166 A HN 0.500 nan 8.150 nan 0.000 0.447 167 M N 0.353 119.994 119.600 0.070 0.000 2.358 167 M HA -0.094 4.386 4.480 0.000 0.000 0.264 167 M C 2.004 178.313 176.300 0.016 0.000 1.064 167 M CA 1.998 57.298 55.300 0.000 0.000 1.093 167 M CB -1.803 30.734 32.600 -0.104 0.000 1.401 167 M HN 0.740 nan 8.290 nan 0.000 0.440 168 T N -3.023 111.557 114.554 0.044 0.000 3.039 168 T HA 0.067 4.417 4.350 0.000 0.000 0.250 168 T C 1.735 176.482 174.700 0.078 0.000 1.052 168 T CA 0.044 62.177 62.100 0.054 0.000 1.125 168 T CB -0.222 68.670 68.868 0.040 0.000 0.908 168 T HN 0.156 nan 8.240 nan 0.000 0.473 169 M N 1.369 121.013 119.600 0.074 0.000 2.426 169 M HA 0.162 4.642 4.480 0.000 0.000 0.261 169 M C -0.052 176.312 176.300 0.106 0.000 1.068 169 M CA 1.223 56.569 55.300 0.077 0.000 1.066 169 M CB -0.927 31.706 32.600 0.056 0.000 1.399 169 M HN 0.323 nan 8.290 nan 0.000 0.449 170 L N 0.755 122.063 121.223 0.141 0.000 2.448 170 L HA 0.154 4.494 4.340 0.000 0.000 0.257 170 L C 0.082 177.100 176.870 0.246 0.000 1.504 170 L CA -0.492 54.479 54.840 0.218 0.000 0.852 170 L CB 0.854 42.983 42.059 0.117 0.000 1.051 170 L HN -0.151 nan 8.230 nan 0.000 0.518 171 T N 3.904 118.592 114.554 0.223 0.000 2.576 171 T HA 0.017 4.367 4.350 0.000 0.000 0.251 171 T C -1.342 173.439 174.700 0.135 0.000 1.050 171 T CA -0.306 61.883 62.100 0.148 0.000 1.286 171 T CB 0.275 69.199 68.868 0.092 0.000 1.028 171 T HN 0.276 nan 8.240 nan 0.000 0.509 172 P HA 0.184 nan 4.420 nan 0.000 0.269 172 P C -0.784 176.375 177.300 -0.234 0.000 1.601 172 P CA -0.079 62.884 63.100 -0.229 0.000 0.831 172 P CB -0.218 31.258 31.700 -0.374 0.000 1.688 173 D N 0.697 121.048 120.400 -0.082 0.000 2.464 173 D HA 0.270 4.910 4.640 0.000 0.000 0.243 173 D C -0.213 176.072 176.300 -0.026 0.000 1.104 173 D CA -0.163 53.795 54.000 -0.071 0.000 0.883 173 D CB 0.776 41.551 40.800 -0.041 0.000 1.050 173 D HN -0.009 nan 8.370 nan 0.000 0.524 174 I N 2.685 123.220 120.570 -0.059 0.000 2.388 174 I HA 0.059 4.229 4.170 0.000 0.000 0.281 174 I C 1.457 177.556 176.117 -0.030 0.000 1.046 174 I CA -0.257 61.031 61.300 -0.020 0.000 1.187 174 I CB 1.000 38.995 38.000 -0.008 0.000 1.351 174 I HN 0.297 nan 8.210 nan 0.000 0.472 175 S N 3.951 119.644 115.700 -0.012 0.000 2.469 175 S HA 0.079 4.549 4.470 0.000 0.000 0.238 175 S C 0.888 175.485 174.600 -0.004 0.000 0.998 175 S CA 0.397 58.592 58.200 -0.007 0.000 0.957 175 S CB 0.108 63.308 63.200 -0.001 0.000 0.764 175 S HN 0.674 nan 8.310 nan 0.000 0.514 176 A N -0.100 122.718 122.820 -0.004 0.000 2.530 176 A HA 0.702 5.022 4.320 0.000 0.000 0.279 176 A C 0.710 178.293 177.584 -0.001 0.000 1.109 176 A CA -0.207 51.829 52.037 -0.002 0.000 0.763 176 A CB 0.360 19.361 19.000 0.001 0.000 1.257 176 A HN 1.370 nan 8.150 nan 0.000 0.424 177 G N 1.505 110.301 108.800 -0.006 0.000 2.650 177 G HA2 0.232 4.192 3.960 0.000 0.000 0.264 177 G HA3 0.232 4.192 3.960 0.000 0.000 0.264 177 G C 0.221 175.111 174.900 -0.017 0.000 1.263 177 G CA 0.341 45.436 45.100 -0.007 0.000 0.960 177 G HN 2.661 nan 8.290 nan 0.000 0.548 178 S N -0.894 114.802 115.700 -0.007 0.000 2.563 178 S HA 0.875 5.345 4.470 0.000 0.000 0.279 178 S C -0.569 174.043 174.600 0.020 0.000 1.155 178 S CA 0.636 58.826 58.200 -0.017 0.000 0.928 178 S CB 1.389 64.578 63.200 -0.018 0.000 1.107 178 S HN 2.473 nan 8.310 nan 0.000 0.462 179 A N 1.371 124.197 122.820 0.010 0.000 2.380 179 A HA 0.970 5.290 4.320 0.000 0.000 0.315 179 A C -0.308 177.290 177.584 0.024 0.000 1.101 179 A CA -0.863 51.234 52.037 0.101 0.000 0.771 179 A CB 1.994 21.172 19.000 0.297 0.000 1.287 179 A HN 1.206 nan 8.150 nan 0.000 0.436 180 S N -0.722 115.058 115.700 0.135 0.000 2.546 180 S HA 0.657 5.127 4.470 0.000 0.000 0.272 180 S C -1.368 173.351 174.600 0.198 0.000 1.140 180 S CA -0.277 58.002 58.200 0.132 0.000 0.920 180 S CB 1.257 64.495 63.200 0.063 0.000 1.083 180 S HN 1.795 nan 8.310 nan 0.000 0.476 181 C N 3.953 123.366 119.300 0.188 0.000 3.285 181 C HA 0.584 5.044 4.460 0.000 0.000 0.325 181 C C -0.831 174.106 174.990 -0.088 0.000 1.304 181 C CA -0.843 58.170 59.018 -0.007 0.000 1.319 181 C CB 1.229 28.831 27.740 -0.230 0.000 1.640 181 C HN 0.976 nan 8.230 nan 0.000 0.477 182 N N 2.300 120.954 118.700 -0.078 0.000 2.394 182 N HA -0.038 4.702 4.740 0.000 0.000 0.277 182 N C 0.833 176.324 175.510 -0.032 0.000 1.346 182 N CA 0.380 53.407 53.050 -0.037 0.000 0.910 182 N CB 0.110 38.566 38.487 -0.051 0.000 1.201 182 N HN 0.891 nan 8.380 nan 0.000 0.488 183 W N 3.752 124.959 121.300 -0.155 0.000 2.363 183 W HA -0.214 4.446 4.660 0.000 0.000 0.296 183 W C 1.625 178.062 176.519 -0.138 0.000 1.212 183 W CA 0.246 57.510 57.345 -0.136 0.000 1.260 183 W CB 0.254 29.749 29.460 0.058 0.000 1.131 183 W HN 0.591 nan 8.180 nan 0.000 0.530 184 K N -0.013 120.414 120.400 0.044 0.000 2.001 184 K HA -0.221 4.099 4.320 0.000 0.000 0.214 184 K C 1.998 178.459 176.600 -0.232 0.000 1.050 184 K CA 2.075 58.282 56.287 -0.133 0.000 0.934 184 K CB -0.867 31.560 32.500 -0.122 0.000 0.718 184 K HN -0.019 nan 8.250 nan 0.000 0.443 185 S N 1.632 117.195 115.700 -0.227 0.000 2.368 185 S HA -0.189 4.281 4.470 0.000 0.000 0.226 185 S C 2.066 176.533 174.600 -0.222 0.000 1.044 185 S CA 1.510 59.532 58.200 -0.297 0.000 1.062 185 S CB -0.463 62.609 63.200 -0.213 0.000 0.931 185 S HN 0.160 nan 8.310 nan 0.000 0.440 186 L N 1.092 122.229 121.223 -0.143 0.000 1.970 186 L HA -0.146 4.194 4.340 0.000 0.000 0.212 186 L C 2.369 179.232 176.870 -0.011 0.000 1.071 186 L CA 1.293 56.083 54.840 -0.084 0.000 0.751 186 L CB -0.806 41.133 42.059 -0.200 0.000 0.889 186 L HN 0.262 nan 8.230 nan 0.000 0.432 187 L N -0.383 120.803 121.223 -0.062 0.000 2.051 187 L HA -0.283 4.057 4.340 0.000 0.000 0.214 187 L C 2.786 179.596 176.870 -0.100 0.000 1.076 187 L CA 1.469 56.202 54.840 -0.177 0.000 0.758 187 L CB -0.901 40.918 42.059 -0.400 0.000 0.890 187 L HN 0.325 nan 8.230 nan 0.000 0.433 188 A N -0.952 121.777 122.820 -0.152 0.000 1.930 188 A HA -0.145 4.175 4.320 0.000 0.000 0.215 188 A C 2.231 179.929 177.584 0.191 0.000 1.176 188 A CA 0.923 52.928 52.037 -0.054 0.000 0.632 188 A CB -0.714 18.160 19.000 -0.210 0.000 0.819 188 A HN 0.367 nan 8.150 nan 0.000 0.445 189 F N 0.343 120.184 119.950 -0.181 0.000 2.186 189 F HA -0.138 4.389 4.527 0.000 0.000 0.299 189 F C 2.740 178.610 175.800 0.116 0.000 1.090 189 F CA 0.474 58.548 58.000 0.123 0.000 1.307 189 F CB 0.021 39.031 39.000 0.017 0.000 1.019 189 F HN 0.336 nan 8.300 nan 0.000 0.489 190 A N 0.481 123.418 122.820 0.195 0.000 1.884 190 A HA -0.303 4.017 4.320 0.000 0.000 0.219 190 A C 2.007 179.664 177.584 0.122 0.000 1.197 190 A CA 2.214 54.315 52.037 0.106 0.000 0.637 190 A CB -0.730 18.307 19.000 0.061 0.000 0.827 190 A HN 0.381 nan 8.150 nan 0.000 0.450 191 K N -1.161 119.315 120.400 0.127 0.000 2.432 191 K HA -0.064 4.256 4.320 0.000 0.000 0.196 191 K C 1.221 177.901 176.600 0.133 0.000 1.038 191 K CA 1.010 57.358 56.287 0.101 0.000 0.986 191 K CB -0.041 32.498 32.500 0.066 0.000 0.782 191 K HN 0.559 nan 8.250 nan 0.000 0.485 192 D N 0.199 120.739 120.400 0.233 0.000 2.305 192 D HA -0.027 4.613 4.640 0.000 0.000 0.206 192 D C 1.358 177.773 176.300 0.191 0.000 0.974 192 D CA 0.651 54.777 54.000 0.210 0.000 0.871 192 D CB 0.427 41.395 40.800 0.280 0.000 0.947 192 D HN -0.041 nan 8.370 nan 0.000 0.516 193 I N 0.182 120.884 120.570 0.220 0.000 3.445 193 I HA 0.144 4.314 4.170 0.000 0.000 0.288 193 I C 0.864 177.033 176.117 0.086 0.000 1.198 193 I CA 0.081 61.474 61.300 0.155 0.000 1.417 193 I CB -0.876 37.207 38.000 0.139 0.000 1.205 193 I HN -0.011 nan 8.210 nan 0.000 0.448 194 L N 3.205 124.471 121.223 0.071 0.000 2.514 194 L HA 0.058 4.398 4.340 0.000 0.000 0.280 194 L C -1.927 174.961 176.870 0.030 0.000 1.223 194 L CA -1.169 53.696 54.840 0.042 0.000 0.864 194 L CB -0.282 41.796 42.059 0.031 0.000 1.118 194 L HN -0.092 nan 8.230 nan 0.000 0.494 195 P HA 0.053 nan 4.420 nan 0.000 0.267 195 P C 0.681 177.989 177.300 0.013 0.000 1.209 195 P CA -0.121 62.991 63.100 0.021 0.000 0.763 195 P CB 0.682 32.396 31.700 0.024 0.000 0.816 196 L N 2.354 123.580 121.223 0.005 0.000 2.051 196 L HA -0.251 4.089 4.340 0.000 0.000 0.214 196 L C 1.643 178.506 176.870 -0.012 0.000 1.076 196 L CA 1.748 56.583 54.840 -0.009 0.000 0.758 196 L CB -0.604 41.449 42.059 -0.010 0.000 0.890 196 L HN 0.463 nan 8.230 nan 0.000 0.433 197 D N -0.411 119.996 120.400 0.012 0.000 2.351 197 D HA -0.091 4.549 4.640 0.000 0.000 0.216 197 D C 0.443 176.786 176.300 0.070 0.000 0.968 197 D CA 0.464 54.483 54.000 0.031 0.000 0.899 197 D CB -0.525 40.300 40.800 0.043 0.000 0.907 197 D HN 0.424 nan 8.370 nan 0.000 0.514 198 N N 0.684 119.430 118.700 0.077 0.000 2.454 198 N HA 0.005 4.745 4.740 0.000 0.000 0.254 198 N C 1.374 176.815 175.510 -0.115 0.000 1.228 198 N CA -0.047 53.079 53.050 0.128 0.000 0.900 198 N CB 0.817 39.365 38.487 0.101 0.000 1.089 198 N HN 0.009 nan 8.380 nan 0.000 0.449 199 L N 0.490 121.453 121.223 -0.434 0.000 2.191 199 L HA -0.215 4.125 4.340 0.000 0.000 0.212 199 L C 1.733 178.406 176.870 -0.328 0.000 1.103 199 L CA 0.721 55.290 54.840 -0.452 0.000 0.769 199 L CB -0.350 41.400 42.059 -0.517 0.000 0.908 199 L HN 0.710 nan 8.230 nan 0.000 0.438 200 C N -0.264 118.717 119.300 -0.532 0.000 2.413 200 C HA -0.151 4.309 4.460 0.000 0.000 0.277 200 C C 2.563 177.420 174.990 -0.221 0.000 1.265 200 C CA 0.352 59.055 59.018 -0.525 0.000 1.752 200 C CB -0.786 26.670 27.740 -0.474 0.000 1.998 200 C HN 0.415 nan 8.230 nan 0.000 0.489 201 L N 1.270 122.375 121.223 -0.198 0.000 2.313 201 L HA -0.041 4.299 4.340 0.000 0.000 0.214 201 L C 2.714 179.444 176.870 -0.234 0.000 1.119 201 L CA 1.953 56.696 54.840 -0.162 0.000 0.809 201 L CB -1.059 40.932 42.059 -0.112 0.000 0.933 201 L HN 0.499 nan 8.230 nan 0.000 0.449 202 T N -3.805 110.494 114.554 -0.425 0.000 2.851 202 T HA -0.156 4.194 4.350 0.000 0.000 0.262 202 T C 1.109 175.345 174.700 -0.773 0.000 1.043 202 T CA 0.974 62.631 62.100 -0.738 0.000 1.140 202 T CB -0.507 67.607 68.868 -1.256 0.000 0.872 202 T HN 0.282 nan 8.240 nan 0.000 0.446 203 Y N 1.771 122.128 120.300 0.094 0.000 2.781 203 Y HA 0.346 4.896 4.550 0.000 0.000 0.326 203 Y C -1.701 174.355 175.900 0.259 0.000 1.019 203 Y CA -2.735 55.460 58.100 0.159 0.000 1.372 203 Y CB 0.355 38.884 38.460 0.116 0.000 1.260 203 Y HN 0.233 nan 8.280 nan 0.000 0.546 204 P HA -0.233 nan 4.420 nan 0.000 0.215 204 P C 1.039 178.444 177.300 0.174 0.000 1.163 204 P CA 1.731 64.906 63.100 0.124 0.000 0.894 204 P CB 0.347 32.041 31.700 -0.009 0.000 0.791 205 N N -1.122 117.628 118.700 0.082 0.000 2.036 205 N HA -0.196 4.544 4.740 0.000 0.000 0.195 205 N C 1.749 177.295 175.510 0.061 0.000 1.037 205 N CA 1.411 54.470 53.050 0.015 0.000 0.855 205 N CB -0.326 38.127 38.487 -0.056 0.000 1.033 205 N HN 0.085 nan 8.380 nan 0.000 0.423 206 E N -0.064 120.187 120.200 0.086 0.000 2.051 206 E HA -0.168 4.182 4.350 0.000 0.000 0.192 206 E C 2.009 178.705 176.600 0.160 0.000 0.991 206 E CA 0.988 57.416 56.400 0.046 0.000 0.799 206 E CB -0.518 29.120 29.700 -0.104 0.000 0.748 206 E HN 0.459 nan 8.360 nan 0.000 0.449 207 F N -0.015 120.057 119.950 0.202 0.000 2.126 207 F HA -0.257 4.270 4.527 0.000 0.000 0.299 207 F C 2.500 178.474 175.800 0.291 0.000 1.096 207 F CA 1.306 59.466 58.000 0.267 0.000 1.255 207 F CB -0.424 38.719 39.000 0.239 0.000 0.997 207 F HN 0.076 nan 8.300 nan 0.000 0.479 208 Y N 0.867 121.363 120.300 0.327 0.000 2.128 208 Y HA -0.333 4.217 4.550 0.000 0.000 0.284 208 Y C 2.368 178.397 175.900 0.216 0.000 1.154 208 Y CA 2.056 60.304 58.100 0.247 0.000 1.149 208 Y CB -0.690 37.869 38.460 0.165 0.000 0.976 208 Y HN 0.037 nan 8.280 nan 0.000 0.505 209 N N -0.359 118.518 118.700 0.295 0.000 2.036 209 N HA -0.227 4.513 4.740 0.000 0.000 0.195 209 N C 1.689 177.074 175.510 -0.208 0.000 1.037 209 N CA 2.344 55.409 53.050 0.024 0.000 0.855 209 N CB -0.510 37.932 38.487 -0.075 0.000 1.033 209 N HN 0.227 nan 8.380 nan 0.000 0.423 210 V N 0.819 120.741 119.914 0.014 0.000 2.233 210 V HA -0.267 3.853 4.120 0.000 0.000 0.247 210 V C 2.428 178.516 176.094 -0.011 0.000 1.050 210 V CA 2.037 64.353 62.300 0.026 0.000 1.010 210 V CB -1.457 30.383 31.823 0.028 0.000 0.637 210 V HN 0.503 nan 8.190 nan 0.000 0.444 211 A N 0.170 123.079 122.820 0.149 0.000 1.896 211 A HA -0.303 4.017 4.320 0.000 0.000 0.220 211 A C 2.124 179.749 177.584 0.067 0.000 1.206 211 A CA 2.695 54.880 52.037 0.246 0.000 0.647 211 A CB -0.810 18.442 19.000 0.421 0.000 0.828 211 A HN 0.481 nan 8.150 nan 0.000 0.455 212 I N -0.768 119.766 120.570 -0.060 0.000 2.264 212 I HA -0.234 3.936 4.170 0.000 0.000 0.248 212 I C 2.217 178.309 176.117 -0.042 0.000 1.111 212 I CA 1.474 62.717 61.300 -0.096 0.000 1.382 212 I CB -0.471 37.438 38.000 -0.151 0.000 1.060 212 I HN 0.396 nan 8.210 nan 0.000 0.418 213 H N -0.656 118.364 119.070 -0.084 0.000 2.495 213 H HA 0.032 4.588 4.556 0.000 0.000 0.287 213 H C 2.302 177.487 175.328 -0.239 0.000 1.033 213 H CA 0.968 56.944 56.048 -0.121 0.000 1.307 213 H CB -0.057 29.636 29.762 -0.116 0.000 1.401 213 H HN 0.313 nan 8.280 nan 0.000 0.555 214 R N -0.318 119.993 120.500 -0.316 0.000 2.146 214 R HA 0.025 4.365 4.340 0.000 0.000 0.206 214 R C -0.139 175.766 176.300 -0.659 0.000 1.049 214 R CA 0.237 55.964 56.100 -0.621 0.000 1.029 214 R CB 0.483 30.236 30.300 -0.912 0.000 0.949 214 R HN 0.130 nan 8.270 nan 0.000 0.471 215 Y N 0.346 120.612 120.300 -0.056 0.000 2.700 215 Y HA 0.326 4.876 4.550 0.000 0.000 0.333 215 Y C -1.911 173.869 175.900 -0.200 0.000 1.036 215 Y CA -2.748 55.282 58.100 -0.117 0.000 1.287 215 Y CB 1.373 39.769 38.460 -0.106 0.000 1.132 215 Y HN 0.074 nan 8.280 nan 0.000 0.510 216 P HA -0.233 nan 4.420 nan 0.000 0.219 216 P C 1.458 178.396 177.300 -0.603 0.000 1.146 216 P CA 1.622 64.323 63.100 -0.666 0.000 0.808 216 P CB 0.315 31.616 31.700 -0.666 0.000 0.779 217 A N -1.344 121.289 122.820 -0.312 0.000 2.186 217 A HA -0.087 4.233 4.320 0.000 0.000 0.219 217 A C 0.864 178.263 177.584 -0.308 0.000 1.159 217 A CA 1.125 52.994 52.037 -0.280 0.000 0.680 217 A CB -1.011 17.837 19.000 -0.254 0.000 0.787 217 A HN 0.185 nan 8.150 nan 0.000 0.467 218 L N -1.126 119.966 121.223 -0.218 0.000 2.386 218 L HA 0.567 4.907 4.340 0.000 0.000 0.271 218 L C -0.630 176.234 176.870 -0.011 0.000 0.993 218 L CA -0.954 53.799 54.840 -0.145 0.000 0.819 218 L CB 2.138 44.172 42.059 -0.041 0.000 1.294 218 L HN -0.115 nan 8.230 nan 0.000 0.414 219 K N 3.000 123.470 120.400 0.117 0.000 2.259 219 K HA 0.537 4.857 4.320 0.000 0.000 0.249 219 K C -2.533 174.151 176.600 0.139 0.000 0.942 219 K CA -1.896 54.462 56.287 0.118 0.000 0.816 219 K CB 1.749 34.316 32.500 0.112 0.000 1.155 219 K HN 0.182 nan 8.250 nan 0.000 0.428 220 P HA -0.035 nan 4.420 nan 0.000 0.266 220 P C 0.552 177.816 177.300 -0.059 0.000 1.195 220 P CA 0.203 63.151 63.100 -0.254 0.000 0.768 220 P CB 0.778 31.806 31.700 -1.120 0.000 0.838 221 G N 4.169 113.016 108.800 0.079 0.000 4.033 221 G HA2 -0.333 3.627 3.960 0.000 0.000 0.243 221 G HA3 -0.333 3.627 3.960 0.000 0.000 0.243 221 G C 0.808 175.706 174.900 -0.003 0.000 0.867 221 G CA 1.546 46.651 45.100 0.009 0.000 0.718 221 G HN 0.780 nan 8.290 nan 0.000 1.461 222 N N 1.230 119.934 118.700 0.007 0.000 2.291 222 N HA 0.155 4.895 4.740 0.000 0.000 0.244 222 N C -1.099 174.427 175.510 0.025 0.000 1.216 222 N CA 0.002 53.060 53.050 0.013 0.000 0.879 222 N CB 0.641 39.137 38.487 0.014 0.000 1.167 222 N HN 0.316 nan 8.380 nan 0.000 0.515 223 P HA -0.098 nan 4.420 nan 0.000 0.216 223 P C -0.538 176.793 177.300 0.052 0.000 1.157 223 P CA 1.484 64.627 63.100 0.072 0.000 0.880 223 P CB 0.164 31.902 31.700 0.062 0.000 0.791 224 D N -1.067 119.347 120.400 0.023 0.000 2.420 224 D HA 0.127 4.767 4.640 0.000 0.000 0.255 224 D C 0.640 176.946 176.300 0.010 0.000 1.185 224 D CA -0.205 53.806 54.000 0.018 0.000 0.904 224 D CB 1.168 41.978 40.800 0.016 0.000 1.102 224 D HN -0.107 nan 8.370 nan 0.000 0.534 225 T N 1.270 115.831 114.554 0.012 0.000 2.848 225 T HA -0.207 4.143 4.350 0.000 0.000 0.269 225 T C 1.812 176.517 174.700 0.009 0.000 1.081 225 T CA 1.260 63.366 62.100 0.010 0.000 1.125 225 T CB 0.210 69.084 68.868 0.010 0.000 0.848 225 T HN 0.374 nan 8.240 nan 0.000 0.503 226 K N 0.478 120.883 120.400 0.008 0.000 2.049 226 K HA -0.102 4.218 4.320 0.000 0.000 0.219 226 K C 0.542 177.145 176.600 0.005 0.000 1.056 226 K CA 1.128 57.419 56.287 0.007 0.000 0.946 226 K CB -0.174 32.329 32.500 0.006 0.000 0.723 226 K HN 0.308 nan 8.250 nan 0.000 0.453 227 L N 0.449 121.674 121.223 0.003 0.000 2.490 227 L HA 0.221 4.561 4.340 0.000 0.000 0.256 227 L C -2.104 174.763 176.870 -0.006 0.000 1.089 227 L CA -1.192 53.648 54.840 -0.000 0.000 0.916 227 L CB 1.970 44.026 42.059 -0.004 0.000 1.188 227 L HN 0.048 nan 8.230 nan 0.000 0.476 228 P HA 0.060 nan 4.420 nan 0.000 0.228 228 P C -0.213 177.083 177.300 -0.006 0.000 1.166 228 P CA 0.508 63.599 63.100 -0.015 0.000 0.812 228 P CB 0.745 32.447 31.700 0.004 0.000 0.857 229 D N 0.323 120.730 120.400 0.011 0.000 2.181 229 D HA 0.526 5.166 4.640 0.000 0.000 0.248 229 D C -0.256 176.046 176.300 0.003 0.000 1.020 229 D CA -0.166 53.851 54.000 0.028 0.000 0.891 229 D CB 2.481 43.301 40.800 0.034 0.000 1.187 229 D HN 0.028 nan 8.370 nan 0.000 0.443 230 A N 0.992 123.815 122.820 0.005 0.000 2.594 230 A HA 0.322 4.642 4.320 0.000 0.000 0.291 230 A C 0.069 177.568 177.584 -0.142 0.000 1.105 230 A CA -0.466 51.513 52.037 -0.096 0.000 0.694 230 A CB 2.177 21.056 19.000 -0.202 0.000 1.291 230 A HN 0.348 nan 8.150 nan 0.000 0.410 231 Q N -0.402 119.277 119.800 -0.202 0.000 2.392 231 Q HA 0.270 4.610 4.340 0.000 0.000 0.219 231 Q C 0.631 176.450 176.000 -0.301 0.000 0.895 231 Q CA 1.014 56.726 55.803 -0.152 0.000 0.929 231 Q CB 0.751 29.462 28.738 -0.044 0.000 1.077 231 Q HN 0.861 nan 8.270 nan 0.000 0.532 232 A N 1.432 124.004 122.820 -0.412 0.000 2.274 232 A HA 0.504 4.824 4.320 0.000 0.000 0.309 232 A C -0.377 176.846 177.584 -0.601 0.000 1.226 232 A CA -0.385 51.426 52.037 -0.376 0.000 0.853 232 A CB 0.326 19.212 19.000 -0.190 0.000 1.146 232 A HN 0.154 nan 8.150 nan 0.000 0.518 233 H N 1.697 120.753 119.070 -0.024 0.000 3.878 233 H HA 0.478 5.034 4.556 0.000 0.000 0.332 233 H C -1.937 173.371 175.328 -0.034 0.000 1.613 233 H CA -1.278 54.759 56.048 -0.019 0.000 1.413 233 H CB -0.431 29.317 29.762 -0.024 0.000 1.066 233 H HN 0.430 nan 8.280 nan 0.000 0.797 234 P HA 0.052 nan 4.420 nan 0.000 0.342 234 P C 1.121 178.419 177.300 -0.004 0.000 1.384 234 P CA -0.429 62.665 63.100 -0.010 0.000 0.837 234 P CB 0.637 32.301 31.700 -0.060 0.000 2.025 235 L N -0.265 120.944 121.223 -0.024 0.000 2.027 235 L HA 0.025 4.365 4.340 0.000 0.000 0.206 235 L C 2.155 179.032 176.870 0.011 0.000 1.074 235 L CA 2.450 57.288 54.840 -0.002 0.000 0.745 235 L CB -1.772 40.292 42.059 0.010 0.000 0.898 235 L HN 0.471 nan 8.230 nan 0.000 0.433 236 G N -0.594 108.206 108.800 0.001 0.000 3.376 236 G HA2 -0.536 3.424 3.960 0.000 0.000 0.310 236 G HA3 -0.536 3.424 3.960 0.000 0.000 0.310 236 G C 1.217 176.125 174.900 0.012 0.000 1.137 236 G CA 1.577 46.676 45.100 -0.000 0.000 1.061 236 G HN 0.481 nan 8.290 nan 0.000 1.152 237 E N -0.727 119.477 120.200 0.007 0.000 2.689 237 E HA -0.349 4.001 4.350 0.000 0.000 0.247 237 E C 2.295 178.879 176.600 -0.027 0.000 1.031 237 E CA 2.398 58.797 56.400 -0.002 0.000 1.400 237 E CB -1.264 28.445 29.700 0.014 0.000 1.296 237 E HN 0.531 nan 8.360 nan 0.000 0.475 238 V N 0.426 120.329 119.914 -0.019 0.000 2.215 238 V HA -0.364 3.756 4.120 0.000 0.000 0.249 238 V C 2.114 178.226 176.094 0.030 0.000 1.054 238 V CA 3.069 65.348 62.300 -0.034 0.000 1.012 238 V CB -0.896 30.947 31.823 0.033 0.000 0.639 238 V HN 0.508 nan 8.190 nan 0.000 0.448 239 A N -0.440 122.463 122.820 0.139 0.000 2.032 239 A HA -0.107 4.213 4.320 0.000 0.000 0.221 239 A C 2.291 179.984 177.584 0.183 0.000 1.165 239 A CA 2.145 54.319 52.037 0.227 0.000 0.645 239 A CB -1.373 17.713 19.000 0.144 0.000 0.807 239 A HN 0.818 nan 8.150 nan 0.000 0.453 240 G N -0.701 108.144 108.800 0.076 0.000 2.402 240 G HA2 0.061 4.021 3.960 0.000 0.000 0.216 240 G HA3 0.061 4.021 3.960 0.000 0.000 0.216 240 G C 1.736 176.650 174.900 0.023 0.000 1.162 240 G CA 1.177 46.303 45.100 0.043 0.000 0.777 240 G HN 0.804 nan 8.290 nan 0.000 0.539 241 A N 0.635 123.418 122.820 -0.062 0.000 1.948 241 A HA 0.011 4.331 4.320 0.000 0.000 0.220 241 A C 2.097 179.644 177.584 -0.062 0.000 1.177 241 A CA 1.540 53.490 52.037 -0.145 0.000 0.636 241 A CB -0.586 18.223 19.000 -0.319 0.000 0.815 241 A HN 0.316 nan 8.150 nan 0.000 0.449 242 F N 0.551 120.503 119.950 0.002 0.000 2.293 242 F HA -0.073 4.454 4.527 0.000 0.000 0.300 242 F C 2.107 177.909 175.800 0.003 0.000 1.086 242 F CA 1.082 59.084 58.000 0.003 0.000 1.375 242 F CB -0.398 38.605 39.000 0.004 0.000 1.045 242 F HN 0.282 nan 8.300 nan 0.000 0.516 243 N N 0.246 119.061 118.700 0.192 0.000 2.463 243 N HA 0.110 4.850 4.740 0.000 0.000 0.181 243 N C 0.592 176.141 175.510 0.065 0.000 1.078 243 N CA 0.426 53.538 53.050 0.102 0.000 0.902 243 N CB 0.107 38.641 38.487 0.079 0.000 0.970 243 N HN 0.099 nan 8.380 nan 0.000 0.451 244 A N 1.154 124.007 122.820 0.056 0.000 2.320 244 A HA 0.578 4.898 4.320 0.000 0.000 0.287 244 A C 0.363 177.964 177.584 0.027 0.000 1.181 244 A CA -0.546 51.507 52.037 0.026 0.000 0.831 244 A CB 0.357 19.359 19.000 0.002 0.000 1.102 244 A HN 0.212 nan 8.150 nan 0.000 0.513 245 A N 3.184 126.015 122.820 0.019 0.000 2.567 245 A HA 0.470 4.790 4.320 0.000 0.000 0.240 245 A C 1.004 178.595 177.584 0.013 0.000 1.053 245 A CA 0.842 52.890 52.037 0.017 0.000 0.755 245 A CB -0.533 18.474 19.000 0.011 0.000 0.978 245 A HN 1.543 nan 8.150 nan 0.000 0.507 246 T N -0.414 114.150 114.554 0.017 0.000 2.948 246 T HA 0.468 4.818 4.350 0.000 0.000 0.285 246 T C 1.376 176.083 174.700 0.011 0.000 1.019 246 T CA 0.003 62.111 62.100 0.014 0.000 1.013 246 T CB 1.033 69.914 68.868 0.021 0.000 1.117 246 T HN 1.212 nan 8.240 nan 0.000 0.533 247 S N 0.796 116.501 115.700 0.008 0.000 2.421 247 S HA -0.273 4.197 4.470 0.000 0.000 0.239 247 S C 1.166 175.770 174.600 0.007 0.000 1.054 247 S CA 1.949 60.153 58.200 0.006 0.000 1.035 247 S CB -0.715 62.488 63.200 0.004 0.000 0.840 247 S HN 0.884 nan 8.310 nan 0.000 0.475 248 E N -0.781 119.425 120.200 0.011 0.000 2.441 248 E HA 0.460 4.810 4.350 0.000 0.000 0.212 248 E C -0.238 176.369 176.600 0.013 0.000 0.840 248 E CA -0.046 56.361 56.400 0.011 0.000 1.143 248 E CB 0.829 30.535 29.700 0.010 0.000 1.153 248 E HN 0.270 nan 8.360 nan 0.000 0.539 249 V N 0.682 120.606 119.914 0.017 0.000 2.628 249 V HA 0.541 4.661 4.120 0.000 0.000 0.306 249 V C 1.071 177.178 176.094 0.021 0.000 1.045 249 V CA -0.210 62.102 62.300 0.020 0.000 0.905 249 V CB 1.605 33.443 31.823 0.024 0.000 0.997 249 V HN 0.303 nan 8.190 nan 0.000 0.436 250 G N 3.469 112.280 108.800 0.018 0.000 2.887 250 G HA2 -0.125 3.835 3.960 0.000 0.000 0.189 250 G HA3 -0.125 3.835 3.960 0.000 0.000 0.189 250 G C 0.612 175.528 174.900 0.027 0.000 1.467 250 G CA 1.012 46.123 45.100 0.019 0.000 0.818 250 G HN 0.924 nan 8.290 nan 0.000 0.641 251 S N -0.799 114.918 115.700 0.028 0.000 2.456 251 S HA 0.436 4.906 4.470 0.000 0.000 0.316 251 S C 1.262 175.883 174.600 0.035 0.000 1.089 251 S CA -0.776 57.446 58.200 0.037 0.000 1.101 251 S CB 1.330 64.549 63.200 0.031 0.000 0.995 251 S HN 0.229 nan 8.310 nan 0.000 0.468 252 L N 5.775 127.030 121.223 0.054 0.000 1.990 252 L HA -0.125 4.215 4.340 0.000 0.000 0.213 252 L C 2.859 179.728 176.870 -0.002 0.000 1.072 252 L CA 2.288 57.153 54.840 0.042 0.000 0.755 252 L CB -1.157 40.961 42.059 0.099 0.000 0.889 252 L HN 0.811 nan 8.230 nan 0.000 0.432 253 V N -2.135 117.772 119.914 -0.012 0.000 2.332 253 V HA -0.184 3.936 4.120 0.000 0.000 0.248 253 V C 2.351 178.433 176.094 -0.020 0.000 1.055 253 V CA 1.900 64.176 62.300 -0.040 0.000 1.038 253 V CB -1.934 29.862 31.823 -0.044 0.000 0.651 253 V HN 0.401 nan 8.190 nan 0.000 0.450 254 G N 1.285 110.085 108.800 -0.001 0.000 2.679 254 G HA2 -0.371 3.589 3.960 0.000 0.000 0.217 254 G HA3 -0.371 3.589 3.960 0.000 0.000 0.217 254 G C 1.889 176.789 174.900 0.000 0.000 1.267 254 G CA 2.616 47.718 45.100 0.003 0.000 0.799 254 G HN 0.947 nan 8.290 nan 0.000 0.606 255 S N 0.054 115.757 115.700 0.004 0.000 2.387 255 S HA -0.181 4.289 4.470 0.000 0.000 0.230 255 S C 2.414 177.014 174.600 -0.001 0.000 1.035 255 S CA 2.035 60.238 58.200 0.005 0.000 1.014 255 S CB -0.651 62.555 63.200 0.010 0.000 0.836 255 S HN 0.413 nan 8.310 nan 0.000 0.466 256 S N 1.459 117.154 115.700 -0.009 0.000 2.348 256 S HA -0.102 4.368 4.470 0.000 0.000 0.221 256 S C 2.122 176.712 174.600 -0.018 0.000 1.033 256 S CA 1.567 59.756 58.200 -0.018 0.000 1.010 256 S CB -0.961 62.216 63.200 -0.038 0.000 0.891 256 S HN 0.635 nan 8.310 nan 0.000 0.442 257 S N 0.951 116.640 115.700 -0.019 0.000 2.359 257 S HA -0.128 4.342 4.470 0.000 0.000 0.223 257 S C 2.033 176.630 174.600 -0.006 0.000 1.039 257 S CA 1.952 60.144 58.200 -0.014 0.000 1.042 257 S CB -1.179 62.013 63.200 -0.014 0.000 0.915 257 S HN 0.742 nan 8.310 nan 0.000 0.439 258 T N 3.290 117.843 114.554 -0.002 0.000 2.580 258 T HA -0.127 4.223 4.350 0.000 0.000 0.265 258 T C 1.836 176.539 174.700 0.005 0.000 1.063 258 T CA 1.635 63.737 62.100 0.004 0.000 1.170 258 T CB -0.823 68.048 68.868 0.006 0.000 0.863 258 T HN 0.238 nan 8.240 nan 0.000 0.418 259 L N 0.869 122.095 121.223 0.005 0.000 2.043 259 L HA -0.146 4.194 4.340 0.000 0.000 0.212 259 L C 2.932 179.805 176.870 0.005 0.000 1.075 259 L CA 1.205 56.049 54.840 0.007 0.000 0.752 259 L CB -0.727 41.336 42.059 0.006 0.000 0.891 259 L HN 0.223 nan 8.230 nan 0.000 0.432 260 S N -0.794 114.905 115.700 -0.001 0.000 2.368 260 S HA -0.222 4.248 4.470 0.000 0.000 0.225 260 S C 1.960 176.560 174.600 -0.001 0.000 1.030 260 S CA 1.195 59.393 58.200 -0.003 0.000 0.999 260 S CB -0.230 62.965 63.200 -0.010 0.000 0.844 260 S HN 0.467 nan 8.310 nan 0.000 0.459 261 Q N 0.779 120.579 119.800 0.001 0.000 2.135 261 Q HA -0.131 4.209 4.340 0.000 0.000 0.204 261 Q C 2.505 178.510 176.000 0.008 0.000 0.981 261 Q CA 1.446 57.251 55.803 0.004 0.000 0.856 261 Q CB -0.404 28.337 28.738 0.005 0.000 0.902 261 Q HN 0.609 nan 8.270 nan 0.000 0.425 262 A N 1.221 124.048 122.820 0.011 0.000 1.858 262 A HA -0.200 4.120 4.320 0.000 0.000 0.216 262 A C 2.076 179.669 177.584 0.015 0.000 1.190 262 A CA 1.306 53.353 52.037 0.016 0.000 0.617 262 A CB -0.781 18.231 19.000 0.020 0.000 0.827 262 A HN 0.293 nan 8.150 nan 0.000 0.443 263 I N 0.794 121.371 120.570 0.010 0.000 2.074 263 I HA -0.379 3.791 4.170 0.000 0.000 0.238 263 I C 2.953 179.072 176.117 0.003 0.000 1.037 263 I CA 2.222 63.526 61.300 0.007 0.000 1.301 263 I CB -0.500 37.502 38.000 0.004 0.000 1.016 263 I HN 0.535 nan 8.210 nan 0.000 0.400 264 S N 0.099 115.800 115.700 0.001 0.000 2.399 264 S HA -0.202 4.268 4.470 0.000 0.000 0.231 264 S C 2.040 176.639 174.600 -0.003 0.000 1.022 264 S CA 1.603 59.801 58.200 -0.003 0.000 0.983 264 S CB -1.279 61.919 63.200 -0.004 0.000 0.803 264 S HN 0.645 nan 8.310 nan 0.000 0.480 265 T N -0.382 114.174 114.554 0.003 0.000 2.746 265 T HA -0.023 4.327 4.350 0.000 0.000 0.267 265 T C 1.729 176.431 174.700 0.004 0.000 1.039 265 T CA 1.357 63.461 62.100 0.006 0.000 1.142 265 T CB -0.578 68.300 68.868 0.017 0.000 0.866 265 T HN 0.245 nan 8.240 nan 0.000 0.444 266 M N 2.165 121.770 119.600 0.007 0.000 2.108 266 M HA 0.166 4.646 4.480 0.000 0.000 0.261 266 M C 2.668 178.961 176.300 -0.012 0.000 1.066 266 M CA 1.331 56.633 55.300 0.003 0.000 1.107 266 M CB -1.180 31.425 32.600 0.009 0.000 1.356 266 M HN 0.451 nan 8.290 nan 0.000 0.406 267 A N -0.684 122.129 122.820 -0.012 0.000 1.892 267 A HA -0.102 4.218 4.320 0.000 0.000 0.218 267 A C 2.356 179.920 177.584 -0.032 0.000 1.188 267 A CA 2.046 54.072 52.037 -0.019 0.000 0.631 267 A CB -1.665 17.326 19.000 -0.014 0.000 0.822 267 A HN 0.560 nan 8.150 nan 0.000 0.447 268 G N -1.055 107.725 108.800 -0.033 0.000 2.421 268 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 268 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 268 G C 1.578 176.428 174.900 -0.083 0.000 1.143 268 G CA 0.989 46.060 45.100 -0.048 0.000 0.784 268 G HN 0.556 nan 8.290 nan 0.000 0.541 269 K N 0.167 120.520 120.400 -0.078 0.000 2.288 269 K HA -0.089 4.231 4.320 0.000 0.000 0.201 269 K C 0.784 177.296 176.600 -0.147 0.000 1.048 269 K CA 0.705 56.913 56.287 -0.131 0.000 0.956 269 K CB -0.076 32.384 32.500 -0.068 0.000 0.746 269 K HN 0.165 nan 8.250 nan 0.000 0.461 270 D N 0.009 120.355 120.400 -0.089 0.000 2.882 270 D HA -0.220 4.420 4.640 0.000 0.000 0.229 270 D C 0.345 176.617 176.300 -0.047 0.000 1.167 270 D CA 0.771 54.732 54.000 -0.065 0.000 0.759 270 D CB -0.553 40.202 40.800 -0.074 0.000 1.088 270 D HN 0.234 nan 8.370 nan 0.000 0.425 271 L N -0.356 120.845 121.223 -0.037 0.000 3.400 271 L HA -0.440 3.900 4.340 0.000 0.000 0.158 271 L C 1.982 178.853 176.870 0.001 0.000 4.462 271 L CA 2.960 57.792 54.840 -0.013 0.000 0.423 271 L CB -1.658 40.398 42.059 -0.005 0.000 3.561 271 L HN 0.215 nan 8.230 nan 0.000 0.641 272 D N -0.734 119.666 120.400 -0.000 0.000 2.200 272 D HA -0.251 4.389 4.640 0.000 0.000 0.192 272 D C 2.071 178.399 176.300 0.048 0.000 1.008 272 D CA 2.073 56.082 54.000 0.016 0.000 0.872 272 D CB -0.158 40.646 40.800 0.006 0.000 0.923 272 D HN 0.306 nan 8.370 nan 0.000 0.447 273 L N 1.038 122.288 121.223 0.045 0.000 2.223 273 L HA -0.294 4.046 4.340 0.000 0.000 0.230 273 L C 2.340 179.379 176.870 0.282 0.000 1.110 273 L CA 1.616 56.544 54.840 0.147 0.000 0.834 273 L CB -0.642 41.412 42.059 -0.008 0.000 0.915 273 L HN 0.224 nan 8.230 nan 0.000 0.450 274 I N -1.249 119.427 120.570 0.176 0.000 2.493 274 I HA -0.155 4.015 4.170 0.000 0.000 0.254 274 I C 0.916 177.081 176.117 0.079 0.000 1.160 274 I CA 0.752 62.133 61.300 0.134 0.000 1.445 274 I CB -0.953 37.096 38.000 0.082 0.000 1.086 274 I HN 0.276 nan 8.210 nan 0.000 0.433 275 E N 1.639 121.877 120.200 0.063 0.000 2.341 275 E HA 0.426 4.776 4.350 0.000 0.000 0.279 275 E C -0.149 176.472 176.600 0.035 0.000 1.395 275 E CA -0.071 56.350 56.400 0.036 0.000 1.648 275 E CB 0.185 29.898 29.700 0.022 0.000 1.524 275 E HN 0.261 nan 8.360 nan 0.000 0.462 276 A N 1.181 124.024 122.820 0.039 0.000 2.466 276 A HA 0.381 4.701 4.320 0.000 0.000 0.291 276 A C -0.241 177.343 177.584 0.001 0.000 1.234 276 A CA -0.734 51.319 52.037 0.027 0.000 0.752 276 A CB 0.629 19.665 19.000 0.060 0.000 1.153 276 A HN 0.171 nan 8.150 nan 0.000 0.458 277 D N 0.762 121.157 120.400 -0.009 0.000 2.197 277 D HA 0.060 4.700 4.640 0.000 0.000 0.212 277 D C 1.024 177.288 176.300 -0.059 0.000 0.963 277 D CA 1.876 55.862 54.000 -0.023 0.000 0.864 277 D CB 0.186 40.978 40.800 -0.013 0.000 1.009 277 D HN 0.595 nan 8.370 nan 0.000 0.479 278 T N -0.864 113.660 114.554 -0.050 0.000 2.859 278 T HA 0.508 4.858 4.350 0.000 0.000 0.281 278 T C -2.684 171.981 174.700 -0.058 0.000 1.005 278 T CA -2.249 59.815 62.100 -0.061 0.000 1.025 278 T CB 1.437 70.282 68.868 -0.038 0.000 0.977 278 T HN -0.283 nan 8.240 nan 0.000 0.458 279 P HA 0.021 nan 4.420 nan 0.000 0.241 279 P C -0.966 176.322 177.300 -0.020 0.000 1.093 279 P CA 0.104 63.167 63.100 -0.061 0.000 0.843 279 P CB -0.171 31.495 31.700 -0.057 0.000 0.760 280 L N 7.476 128.697 121.223 -0.003 0.000 2.272 280 L HA 0.494 4.834 4.340 0.000 0.000 0.289 280 L C -2.228 174.689 176.870 0.078 0.000 1.032 280 L CA -2.501 52.370 54.840 0.052 0.000 0.810 280 L CB 1.140 43.262 42.059 0.105 0.000 1.205 280 L HN 0.167 nan 8.230 nan 0.000 0.422 281 P HA -0.014 nan 4.420 nan 0.000 0.266 281 P C 1.295 178.660 177.300 0.108 0.000 1.215 281 P CA -0.059 63.082 63.100 0.068 0.000 0.763 281 P CB 0.877 32.602 31.700 0.041 0.000 0.806 282 V N 2.834 122.811 119.914 0.105 0.000 2.251 282 V HA -0.407 3.713 4.120 0.000 0.000 0.259 282 V C 2.215 178.391 176.094 0.136 0.000 1.078 282 V CA 3.055 65.435 62.300 0.134 0.000 1.072 282 V CB -2.655 29.225 31.823 0.095 0.000 0.681 282 V HN 0.620 nan 8.190 nan 0.000 0.454 283 S N 0.457 116.205 115.700 0.081 0.000 2.387 283 S HA -0.196 4.274 4.470 0.000 0.000 0.230 283 S C 1.854 176.472 174.600 0.030 0.000 1.035 283 S CA 1.961 60.191 58.200 0.051 0.000 1.014 283 S CB -1.084 62.134 63.200 0.029 0.000 0.836 283 S HN 0.618 nan 8.310 nan 0.000 0.466 284 V N 0.564 120.497 119.914 0.031 0.000 2.270 284 V HA -0.036 4.084 4.120 0.000 0.000 0.245 284 V C 2.145 178.185 176.094 -0.089 0.000 1.043 284 V CA 2.028 64.320 62.300 -0.012 0.000 1.014 284 V CB -0.888 30.942 31.823 0.010 0.000 0.645 284 V HN 0.529 nan 8.190 nan 0.000 0.447 285 F N 0.909 120.859 119.950 0.001 0.000 2.187 285 F HA 0.003 4.530 4.527 0.000 0.000 0.295 285 F C 1.370 177.215 175.800 0.075 0.000 1.091 285 F CA 0.937 58.944 58.000 0.012 0.000 1.308 285 F CB -0.116 38.919 39.000 0.060 0.000 1.030 285 F HN 0.042 nan 8.300 nan 0.000 0.487 286 T N 3.671 118.326 114.554 0.170 0.000 2.761 286 T HA 0.218 4.568 4.350 0.000 0.000 0.296 286 T C -1.891 172.865 174.700 0.094 0.000 0.934 286 T CA -1.121 61.104 62.100 0.208 0.000 1.091 286 T CB 1.307 70.294 68.868 0.198 0.000 0.896 286 T HN 0.045 nan 8.240 nan 0.000 0.515 287 P HA 0.243 nan 4.420 nan 0.000 0.322 287 P C -0.037 177.301 177.300 0.063 0.000 1.414 287 P CA -0.517 62.626 63.100 0.072 0.000 0.876 287 P CB 0.275 32.032 31.700 0.096 0.000 2.176 288 S N -0.741 114.989 115.700 0.051 0.000 2.499 288 S HA 0.459 4.929 4.470 0.000 0.000 0.279 288 S C -0.430 174.191 174.600 0.035 0.000 1.219 288 S CA -0.526 57.696 58.200 0.037 0.000 1.062 288 S CB -1.009 62.206 63.200 0.025 0.000 0.978 288 S HN 0.111 nan 8.310 nan 0.000 0.489 289 L N 3.651 124.892 121.223 0.031 0.000 2.325 289 L HA 0.773 5.113 4.340 0.000 0.000 0.278 289 L C 0.149 177.029 176.870 0.016 0.000 1.023 289 L CA -0.593 54.263 54.840 0.027 0.000 0.811 289 L CB 1.705 43.783 42.059 0.032 0.000 1.249 289 L HN 0.747 nan 8.230 nan 0.000 0.431 290 A N 3.873 126.701 122.820 0.012 0.000 2.337 290 A HA 0.842 5.162 4.320 0.000 0.000 0.331 290 A C -2.552 175.035 177.584 0.005 0.000 1.137 290 A CA -1.674 50.367 52.037 0.006 0.000 0.807 290 A CB 0.777 19.778 19.000 0.001 0.000 1.250 290 A HN 0.427 nan 8.150 nan 0.000 0.468 291 P HA 0.208 nan 4.420 nan 0.000 0.267 291 P C -0.412 176.881 177.300 -0.011 0.000 1.201 291 P CA 0.156 63.259 63.100 0.005 0.000 0.775 291 P CB 0.371 32.075 31.700 0.006 0.000 0.854 292 R N 0.512 121.007 120.500 -0.008 0.000 2.888 292 R HA 0.604 4.944 4.340 0.000 0.000 0.266 292 R C -0.776 175.390 176.300 -0.223 0.000 1.020 292 R CA -0.736 55.274 56.100 -0.150 0.000 0.963 292 R CB 1.784 31.944 30.300 -0.233 0.000 1.197 292 R HN 0.316 nan 8.270 nan 0.000 0.481 293 S N 1.336 116.780 115.700 -0.426 0.000 2.498 293 S HA 0.615 5.085 4.470 0.000 0.000 0.317 293 S C -1.252 173.102 174.600 -0.410 0.000 1.090 293 S CA -0.509 57.537 58.200 -0.257 0.000 1.089 293 S CB 0.632 63.766 63.200 -0.109 0.000 0.997 293 S HN 0.328 nan 8.310 nan 0.000 0.470 294 Y N 1.467 121.851 120.300 0.139 0.000 2.602 294 Y HA 0.609 5.159 4.550 0.000 0.000 0.342 294 Y C 0.447 176.420 175.900 0.122 0.000 1.029 294 Y CA -1.392 56.812 58.100 0.172 0.000 1.080 294 Y CB 1.385 40.056 38.460 0.352 0.000 1.284 294 Y HN 0.542 nan 8.280 nan 0.000 0.485 295 R N 0.816 121.465 120.500 0.249 0.000 2.532 295 R HA 0.602 4.942 4.340 0.000 0.000 0.295 295 R C -2.805 173.546 176.300 0.085 0.000 0.968 295 R CA -1.727 54.460 56.100 0.145 0.000 0.916 295 R CB 1.684 32.049 30.300 0.109 0.000 1.124 295 R HN 0.269 nan 8.270 nan 0.000 0.463 296 P HA -0.178 nan 4.420 nan 0.000 0.197 296 P C 0.798 178.068 177.300 -0.051 0.000 1.076 296 P CA 2.250 65.340 63.100 -0.018 0.000 0.876 296 P CB -0.073 31.616 31.700 -0.019 0.000 0.705 297 A N -1.482 121.271 122.820 -0.113 0.000 4.989 297 A HA -0.301 4.019 4.320 0.000 0.000 0.363 297 A C 1.154 178.495 177.584 -0.405 0.000 1.592 297 A CA 2.751 54.636 52.037 -0.253 0.000 0.704 297 A CB -2.320 16.631 19.000 -0.082 0.000 1.532 297 A HN 0.313 nan 8.150 nan 0.000 0.440 298 F N -1.486 118.460 119.950 -0.005 0.000 2.835 298 F HA 0.484 5.011 4.527 0.000 0.000 0.342 298 F C 0.448 176.236 175.800 -0.020 0.000 1.202 298 F CA -0.452 57.540 58.000 -0.013 0.000 1.240 298 F CB 0.604 39.600 39.000 -0.006 0.000 1.005 298 F HN 0.400 nan 8.300 nan 0.000 0.507 299 I N 1.286 121.921 120.570 0.107 0.000 3.194 299 I HA 0.111 4.281 4.170 0.000 0.000 0.283 299 I C 0.115 176.235 176.117 0.004 0.000 1.199 299 I CA -0.058 61.264 61.300 0.036 0.000 1.328 299 I CB 0.440 38.430 38.000 -0.017 0.000 1.404 299 I HN -0.116 nan 8.210 nan 0.000 0.618 300 K N 6.609 126.990 120.400 -0.030 0.000 2.464 300 K HA 0.323 4.643 4.320 0.000 0.000 0.252 300 K C -2.018 174.535 176.600 -0.077 0.000 1.000 300 K CA -1.785 54.480 56.287 -0.037 0.000 0.951 300 K CB 1.101 33.587 32.500 -0.022 0.000 1.183 300 K HN 0.260 nan 8.250 nan 0.000 0.445 301 P HA -0.241 nan 4.420 nan 0.000 0.219 301 P C 0.572 177.818 177.300 -0.090 0.000 1.153 301 P CA 1.502 64.541 63.100 -0.101 0.000 0.865 301 P CB 0.469 32.114 31.700 -0.091 0.000 0.788 302 E N -0.753 119.407 120.200 -0.068 0.000 2.085 302 E HA -0.169 4.181 4.350 0.000 0.000 0.194 302 E C 1.755 178.322 176.600 -0.055 0.000 0.994 302 E CA 1.320 57.687 56.400 -0.056 0.000 0.801 302 E CB -0.578 29.096 29.700 -0.043 0.000 0.743 302 E HN 0.398 nan 8.360 nan 0.000 0.453 303 D N -0.401 119.963 120.400 -0.060 0.000 2.301 303 D HA 0.077 4.717 4.640 0.000 0.000 0.206 303 D C 0.157 176.413 176.300 -0.073 0.000 0.979 303 D CA 0.427 54.396 54.000 -0.052 0.000 0.874 303 D CB 0.334 41.114 40.800 -0.034 0.000 0.968 303 D HN 0.070 nan 8.370 nan 0.000 0.510 304 A N 1.841 124.582 122.820 -0.132 0.000 2.798 304 A HA 0.131 4.451 4.320 0.000 0.000 0.316 304 A C 1.267 178.688 177.584 -0.271 0.000 1.506 304 A CA -0.423 51.467 52.037 -0.245 0.000 1.162 304 A CB 0.189 18.976 19.000 -0.356 0.000 1.138 304 A HN -0.057 nan 8.150 nan 0.000 0.532 305 K N 1.791 122.111 120.400 -0.132 0.000 2.044 305 K HA -0.221 4.099 4.320 0.000 0.000 0.224 305 K C 1.560 178.141 176.600 -0.032 0.000 1.056 305 K CA 2.445 58.709 56.287 -0.039 0.000 0.962 305 K CB -0.273 32.273 32.500 0.077 0.000 0.730 305 K HN 1.040 nan 8.250 nan 0.000 0.453 306 W N 0.703 121.960 121.300 -0.071 0.000 3.077 306 W HA 0.274 4.934 4.660 0.000 0.000 0.245 306 W C 0.289 176.759 176.519 -0.083 0.000 1.316 306 W CA -0.076 57.214 57.345 -0.091 0.000 1.537 306 W CB -0.453 28.925 29.460 -0.135 0.000 1.131 306 W HN -0.019 nan 8.180 nan 0.000 0.695 307 I N 1.086 121.253 120.570 -0.671 0.000 2.586 307 I HA 0.529 4.699 4.170 0.000 0.000 0.281 307 I C -0.479 175.414 176.117 -0.373 0.000 1.145 307 I CA -0.207 60.737 61.300 -0.594 0.000 1.073 307 I CB 0.881 38.242 38.000 -1.065 0.000 1.238 307 I HN -0.097 nan 8.210 nan 0.000 0.461 308 A N 5.796 128.498 122.820 -0.195 0.000 2.468 308 A HA 0.913 5.233 4.320 0.000 0.000 0.270 308 A C -0.998 176.531 177.584 -0.092 0.000 1.217 308 A CA -0.422 51.538 52.037 -0.128 0.000 0.908 308 A CB 1.554 20.502 19.000 -0.087 0.000 1.423 308 A HN 0.544 nan 8.150 nan 0.000 0.459 309 E N -0.686 119.465 120.200 -0.081 0.000 2.317 309 E HA 0.456 4.806 4.350 0.000 0.000 0.270 309 E C -1.687 174.860 176.600 -0.087 0.000 0.885 309 E CA -0.594 55.768 56.400 -0.064 0.000 0.760 309 E CB 1.786 31.439 29.700 -0.078 0.000 1.227 309 E HN 0.430 nan 8.360 nan 0.000 0.434 310 F N 3.604 123.500 119.950 -0.091 0.000 2.553 310 F HA 0.062 4.589 4.527 0.000 0.000 0.356 310 F C 0.809 176.566 175.800 -0.071 0.000 1.142 310 F CA -0.135 57.811 58.000 -0.090 0.000 1.322 310 F CB 0.481 39.423 39.000 -0.097 0.000 1.126 310 F HN 0.296 nan 8.300 nan 0.000 0.599 311 N N 3.886 121.679 118.700 -1.510 0.000 2.443 311 N HA 0.142 4.882 4.740 0.000 0.000 0.295 311 N C -0.940 174.181 175.510 -0.647 0.000 1.076 311 N CA -0.857 51.691 53.050 -0.837 0.000 0.919 311 N CB 0.926 39.046 38.487 -0.611 0.000 1.176 311 N HN 0.605 nan 8.380 nan 0.000 0.487 312 N N 0.853 119.401 118.700 -0.252 0.000 2.395 312 N HA -0.057 4.683 4.740 0.000 0.000 0.246 312 N C -1.008 174.471 175.510 -0.051 0.000 1.246 312 N CA 0.710 53.713 53.050 -0.079 0.000 0.879 312 N CB 0.092 38.551 38.487 -0.047 0.000 1.098 312 N HN 0.694 nan 8.380 nan 0.000 0.444 313 S N 0.131 115.858 115.700 0.045 0.000 3.027 313 S HA -0.026 4.444 4.470 0.000 0.000 0.809 313 S C 0.179 174.880 174.600 0.169 0.000 0.729 313 S CA 0.145 58.386 58.200 0.069 0.000 1.515 313 S CB -2.009 61.200 63.200 0.016 0.000 1.062 313 S HN 1.092 nan 8.310 nan 0.000 0.682 314 S N 1.465 117.256 115.700 0.151 0.000 6.084 314 S HA 0.489 4.959 4.470 0.000 0.000 0.113 314 S C -0.290 174.318 174.600 0.013 0.000 1.162 314 S CA -0.081 58.182 58.200 0.106 0.000 1.406 314 S CB -0.152 63.155 63.200 0.178 0.000 1.969 314 S HN 1.763 nan 8.310 nan 0.000 0.555 315 L N 2.158 123.368 121.223 -0.021 0.000 2.108 315 L HA -0.010 4.330 4.340 0.000 0.000 0.685 315 L C -1.533 175.277 176.870 -0.101 0.000 1.058 315 L CA -0.046 54.758 54.840 -0.061 0.000 1.399 315 L CB -1.127 40.907 42.059 -0.042 0.000 2.171 315 L HN 0.589 nan 8.230 nan 0.000 0.994 316 I N 2.358 122.836 120.570 -0.154 0.000 2.347 316 I HA 0.267 4.438 4.170 0.000 0.000 0.283 316 I C 1.172 177.199 176.117 -0.151 0.000 1.058 316 I CA -0.536 60.672 61.300 -0.154 0.000 1.202 316 I CB 1.044 38.930 38.000 -0.190 0.000 1.386 316 I HN 0.482 nan 8.210 nan 0.000 0.475 317 R N 3.163 123.586 120.500 -0.128 0.000 2.009 317 R HA 0.149 4.489 4.340 0.000 0.000 0.213 317 R C 0.517 176.719 176.300 -0.163 0.000 1.297 317 R CA 0.135 56.151 56.100 -0.139 0.000 1.008 317 R CB -0.296 29.939 30.300 -0.107 0.000 0.852 317 R HN 0.137 nan 8.270 nan 0.000 0.475 318 K N 2.411 122.736 120.400 -0.125 0.000 2.310 318 K HA 0.123 4.443 4.320 0.000 0.000 0.290 318 K C -1.192 175.350 176.600 -0.097 0.000 1.077 318 K CA 0.012 56.227 56.287 -0.120 0.000 0.922 318 K CB 0.636 33.081 32.500 -0.091 0.000 1.057 318 K HN 0.466 nan 8.250 nan 0.000 0.479 319 T N 2.453 116.946 114.554 -0.102 0.000 2.812 319 T HA 0.356 4.706 4.350 0.000 0.000 0.282 319 T C -0.374 174.316 174.700 -0.016 0.000 0.990 319 T CA -1.051 61.015 62.100 -0.056 0.000 0.960 319 T CB 0.829 69.670 68.868 -0.046 0.000 0.948 319 T HN 0.411 nan 8.240 nan 0.000 0.438 320 L N 4.658 125.873 121.223 -0.013 0.000 2.559 320 L HA 0.244 4.584 4.340 0.000 0.000 0.274 320 L C 1.570 178.460 176.870 0.032 0.000 1.205 320 L CA 1.215 56.055 54.840 -0.001 0.000 0.907 320 L CB 0.589 42.632 42.059 -0.027 0.000 1.153 320 L HN 1.071 nan 8.230 nan 0.000 0.490 321 T N 1.961 116.559 114.554 0.073 0.000 3.000 321 T HA 0.172 4.522 4.350 0.000 0.000 0.248 321 T C 0.113 174.911 174.700 0.162 0.000 1.034 321 T CA 0.071 62.248 62.100 0.129 0.000 1.060 321 T CB -0.017 68.971 68.868 0.201 0.000 0.983 321 T HN 0.447 nan 8.240 nan 0.000 0.482 322 Y N 0.999 121.320 120.300 0.036 0.000 2.829 322 Y HA 0.576 5.126 4.550 0.000 0.000 0.322 322 Y C -1.135 174.777 175.900 0.020 0.000 1.357 322 Y CA -2.103 56.013 58.100 0.027 0.000 1.081 322 Y CB 1.449 39.926 38.460 0.028 0.000 1.339 322 Y HN -0.016 nan 8.280 nan 0.000 0.469 323 S N 1.845 116.470 115.700 -1.792 0.000 2.519 323 S HA 0.343 4.813 4.470 0.000 0.000 0.310 323 S C 0.740 175.065 174.600 -0.459 0.000 1.201 323 S CA 0.742 58.399 58.200 -0.905 0.000 1.179 323 S CB -0.660 62.117 63.200 -0.706 0.000 1.104 323 S HN 1.385 nan 8.310 nan 0.000 0.527 324 G N 2.446 111.092 108.800 -0.256 0.000 2.341 324 G HA2 -0.073 3.887 3.960 0.000 0.000 0.292 324 G HA3 -0.073 3.887 3.960 0.000 0.000 0.292 324 G C 0.060 174.924 174.900 -0.061 0.000 1.021 324 G CA 0.186 45.214 45.100 -0.120 0.000 0.905 324 G HN 1.189 nan 8.290 nan 0.000 0.508 325 A N -0.662 122.123 122.820 -0.058 0.000 2.414 325 A HA 1.006 5.326 4.320 0.000 0.000 0.306 325 A C 0.025 177.639 177.584 0.051 0.000 1.054 325 A CA 0.352 52.411 52.037 0.037 0.000 0.724 325 A CB 1.781 20.870 19.000 0.148 0.000 1.267 325 A HN 1.637 nan 8.150 nan 0.000 0.418 326 T N -0.912 113.682 114.554 0.067 0.000 2.912 326 T HA 0.642 4.992 4.350 0.000 0.000 0.299 326 T C -1.160 173.602 174.700 0.103 0.000 1.052 326 T CA -0.492 61.643 62.100 0.059 0.000 0.996 326 T CB 1.351 70.222 68.868 0.004 0.000 1.070 326 T HN 1.136 nan 8.240 nan 0.000 0.465 327 Y N 1.803 122.099 120.300 -0.007 0.000 2.442 327 Y HA 0.554 5.104 4.550 0.000 0.000 0.344 327 Y C -0.189 175.703 175.900 -0.014 0.000 0.976 327 Y CA -0.992 57.096 58.100 -0.020 0.000 1.040 327 Y CB 2.010 40.486 38.460 0.027 0.000 1.228 327 Y HN 0.950 nan 8.280 nan 0.000 0.451 328 T N 3.198 117.274 114.554 -0.798 0.000 2.782 328 T HA 0.160 4.510 4.350 0.000 0.000 0.298 328 T C 0.892 174.954 174.700 -1.063 0.000 0.944 328 T CA -0.324 61.360 62.100 -0.693 0.000 1.001 328 T CB 0.631 69.332 68.868 -0.278 0.000 0.932 328 T HN 0.668 nan 8.240 nan 0.000 0.524 329 V N 2.753 122.187 119.914 -0.800 0.000 2.759 329 V HA -0.080 4.040 4.120 0.000 0.000 0.256 329 V C 1.646 177.666 176.094 -0.122 0.000 1.080 329 V CA 1.787 63.869 62.300 -0.363 0.000 1.101 329 V CB -1.078 30.684 31.823 -0.101 0.000 0.698 329 V HN 1.144 nan 8.190 nan 0.000 0.477 330 Q N -1.088 118.607 119.800 -0.175 0.000 2.480 330 Q HA -0.239 4.101 4.340 0.000 0.000 0.265 330 Q C -0.149 175.785 176.000 -0.111 0.000 1.072 330 Q CA 0.882 56.604 55.803 -0.135 0.000 1.018 330 Q CB -2.344 26.317 28.738 -0.128 0.000 1.433 330 Q HN 0.587 nan 8.270 nan 0.000 0.513 331 L N -0.316 120.830 121.223 -0.130 0.000 2.825 331 L HA 0.302 4.642 4.340 0.000 0.000 0.278 331 L C 1.078 177.916 176.870 -0.053 0.000 1.125 331 L CA 2.124 56.871 54.840 -0.155 0.000 1.023 331 L CB -0.254 41.582 42.059 -0.372 0.000 1.377 331 L HN 0.408 nan 8.230 nan 0.000 0.471 332 G N 4.204 113.055 108.800 0.084 0.000 3.507 332 G HA2 0.230 4.190 3.960 0.000 0.000 0.162 332 G HA3 0.230 4.190 3.960 0.000 0.000 0.162 332 G C -2.801 172.184 174.900 0.141 0.000 1.230 332 G CA -0.131 45.070 45.100 0.168 0.000 1.412 332 G HN 0.374 nan 8.290 nan 0.000 0.723 333 P HA 0.239 nan 4.420 nan 0.000 0.263 333 P C 0.678 177.978 177.300 -0.000 0.000 1.345 333 P CA 1.463 64.566 63.100 0.005 0.000 1.119 333 P CB -0.018 31.672 31.700 -0.017 0.000 1.363 334 G N 4.405 113.204 108.800 -0.001 0.000 2.295 334 G HA2 -0.193 3.767 3.960 0.000 0.000 0.287 334 G HA3 -0.193 3.767 3.960 0.000 0.000 0.287 334 G C -2.219 172.676 174.900 -0.008 0.000 1.055 334 G CA -0.792 44.296 45.100 -0.020 0.000 0.922 334 G HN 0.342 nan 8.290 nan 0.000 0.503 335 P HA 0.297 nan 4.420 nan 0.000 0.263 335 P C 1.352 178.659 177.300 0.011 0.000 1.345 335 P CA 0.894 64.016 63.100 0.037 0.000 1.119 335 P CB -0.018 31.728 31.700 0.077 0.000 1.363 336 T N 1.446 115.978 114.554 -0.036 0.000 13.732 336 T HA -0.268 4.082 4.350 0.000 0.000 0.419 336 T C 0.587 175.260 174.700 -0.044 0.000 1.441 336 T CA 0.827 62.892 62.100 -0.059 0.000 2.344 336 T CB -0.877 67.955 68.868 -0.060 0.000 2.781 336 T HN 0.435 nan 8.240 nan 0.000 0.464 337 R N 0.436 120.926 120.500 -0.016 0.000 2.663 337 R HA 0.570 4.910 4.340 0.000 0.000 0.267 337 R C -1.225 175.086 176.300 0.018 0.000 1.038 337 R CA -0.458 55.632 56.100 -0.018 0.000 0.886 337 R CB 1.710 31.982 30.300 -0.048 0.000 1.249 337 R HN 0.739 nan 8.270 nan 0.000 0.463 338 V N 0.202 120.122 119.914 0.010 0.000 2.311 338 V HA 0.537 4.657 4.120 0.000 0.000 0.275 338 V C 0.048 176.180 176.094 0.063 0.000 1.022 338 V CA -0.835 61.495 62.300 0.049 0.000 0.830 338 V CB 0.778 32.617 31.823 0.026 0.000 1.012 338 V HN 0.502 nan 8.190 nan 0.000 0.452 339 I N 5.343 125.995 120.570 0.136 0.000 2.363 339 I HA 0.264 4.434 4.170 0.000 0.000 0.292 339 I C 0.497 176.715 176.117 0.169 0.000 1.075 339 I CA 0.401 61.792 61.300 0.152 0.000 1.333 339 I CB 0.342 38.497 38.000 0.259 0.000 1.415 339 I HN 0.586 nan 8.210 nan 0.000 0.502 340 D N 8.363 128.841 120.400 0.131 0.000 2.558 340 D HA 0.105 4.745 4.640 0.000 0.000 0.221 340 D C 0.494 176.804 176.300 0.017 0.000 1.143 340 D CA 0.007 54.078 54.000 0.118 0.000 1.010 340 D CB 0.732 41.597 40.800 0.109 0.000 1.068 340 D HN 0.406 nan 8.370 nan 0.000 0.511 341 M N 0.984 120.487 119.600 -0.161 0.000 2.723 341 M HA 0.031 4.511 4.480 0.000 0.000 0.270 341 M C 0.337 176.408 176.300 -0.382 0.000 1.282 341 M CA -0.333 54.615 55.300 -0.587 0.000 0.995 341 M CB -1.329 30.450 32.600 -1.368 0.000 1.430 341 M HN -0.016 nan 8.290 nan 0.000 0.477 342 N N 1.605 120.225 118.700 -0.134 0.000 2.508 342 N HA 0.342 5.082 4.740 0.000 0.000 0.253 342 N C 0.223 175.769 175.510 0.061 0.000 1.145 342 N CA 0.322 53.359 53.050 -0.022 0.000 0.973 342 N CB 0.209 38.677 38.487 -0.032 0.000 1.305 342 N HN 0.414 nan 8.380 nan 0.000 0.506 343 A N 3.663 126.570 122.820 0.145 0.000 2.519 343 A HA -0.174 4.146 4.320 0.000 0.000 0.297 343 A C 0.086 177.779 177.584 0.181 0.000 1.472 343 A CA 0.582 52.731 52.037 0.187 0.000 0.739 343 A CB -1.443 17.630 19.000 0.121 0.000 1.096 343 A HN 0.594 nan 8.150 nan 0.000 0.414 344 M N 0.937 120.708 119.600 0.286 0.000 3.371 344 M HA 0.387 4.867 4.480 0.000 0.000 0.212 344 M C 0.753 177.234 176.300 0.302 0.000 1.200 344 M CA -0.112 55.321 55.300 0.222 0.000 1.211 344 M CB -1.631 31.027 32.600 0.096 0.000 1.210 344 M HN 1.336 nan 8.290 nan 0.000 0.601 345 I N -1.365 119.306 120.570 0.169 0.000 5.504 345 I HA -0.339 3.831 4.170 0.000 0.000 0.128 345 I C -0.652 175.414 176.117 -0.085 0.000 1.242 345 I CA 0.763 62.096 61.300 0.055 0.000 2.596 345 I CB -0.550 37.462 38.000 0.020 0.000 2.176 345 I HN 0.460 nan 8.210 nan 0.000 0.313 346 D N 1.592 121.882 120.400 -0.184 0.000 2.381 346 D HA 0.618 5.258 4.640 0.000 0.000 0.235 346 D C -0.737 175.397 176.300 -0.277 0.000 1.068 346 D CA -0.287 53.487 54.000 -0.377 0.000 0.832 346 D CB 1.571 42.191 40.800 -0.300 0.000 1.101 346 D HN 0.606 nan 8.370 nan 0.000 0.515 347 S N 0.545 116.035 115.700 -0.350 0.000 2.632 347 S HA 0.569 5.039 4.470 0.000 0.000 0.289 347 S C -0.510 174.026 174.600 -0.107 0.000 1.115 347 S CA -0.703 57.415 58.200 -0.136 0.000 0.889 347 S CB 2.331 65.567 63.200 0.058 0.000 1.116 347 S HN 0.171 nan 8.310 nan 0.000 0.486 348 V N 2.476 122.361 119.914 -0.048 0.000 2.376 348 V HA 0.347 4.467 4.120 0.000 0.000 0.287 348 V C -0.584 175.484 176.094 -0.045 0.000 1.015 348 V CA -0.488 61.790 62.300 -0.036 0.000 0.834 348 V CB 1.087 32.890 31.823 -0.034 0.000 1.001 348 V HN 0.710 nan 8.190 nan 0.000 0.428 349 L N 4.702 125.885 121.223 -0.066 0.000 2.451 349 L HA 0.154 4.494 4.340 0.000 0.000 0.272 349 L C 0.699 177.454 176.870 -0.191 0.000 1.258 349 L CA 0.165 54.911 54.840 -0.156 0.000 1.132 349 L CB -0.313 41.555 42.059 -0.318 0.000 1.361 349 L HN 0.634 nan 8.230 nan 0.000 0.438 350 T N 3.332 117.804 114.554 -0.137 0.000 3.182 350 T HA 0.168 4.518 4.350 0.000 0.000 0.274 350 T C 0.024 174.625 174.700 -0.165 0.000 0.997 350 T CA -0.253 61.733 62.100 -0.190 0.000 1.082 350 T CB -0.011 68.760 68.868 -0.162 0.000 1.005 350 T HN 0.138 nan 8.240 nan 0.000 0.688 351 L N 4.334 125.453 121.223 -0.173 0.000 2.281 351 L HA 0.326 4.666 4.340 0.000 0.000 0.285 351 L C -0.456 176.371 176.870 -0.072 0.000 1.074 351 L CA -0.050 54.738 54.840 -0.087 0.000 0.817 351 L CB 0.514 42.535 42.059 -0.064 0.000 1.168 351 L HN 0.410 nan 8.230 nan 0.000 0.434 352 D N 5.876 126.265 120.400 -0.019 0.000 2.446 352 D HA 0.253 4.893 4.640 0.000 0.000 0.251 352 D C -0.802 175.535 176.300 0.061 0.000 1.137 352 D CA -0.173 53.837 54.000 0.017 0.000 0.890 352 D CB 1.628 42.436 40.800 0.014 0.000 1.071 352 D HN 0.217 nan 8.370 nan 0.000 0.528 353 V N 0.743 120.715 119.914 0.098 0.000 2.394 353 V HA 0.648 4.768 4.120 0.000 0.000 0.282 353 V C 0.402 176.614 176.094 0.196 0.000 1.031 353 V CA -0.396 61.991 62.300 0.145 0.000 0.881 353 V CB 1.432 33.358 31.823 0.172 0.000 0.982 353 V HN 0.437 nan 8.190 nan 0.000 0.451 354 S N 2.514 118.314 115.700 0.167 0.000 2.547 354 S HA 0.742 5.212 4.470 0.000 0.000 0.270 354 S C 0.495 175.182 174.600 0.144 0.000 1.150 354 S CA 0.805 59.099 58.200 0.157 0.000 0.850 354 S CB 1.654 64.897 63.200 0.072 0.000 1.118 354 S HN 2.007 nan 8.310 nan 0.000 0.461 355 G N 2.062 110.949 108.800 0.145 0.000 5.045 355 G HA2 -0.251 3.709 3.960 0.000 0.000 0.229 355 G HA3 -0.251 3.709 3.960 0.000 0.000 0.229 355 G C 0.234 175.228 174.900 0.157 0.000 1.440 355 G CA 0.279 45.453 45.100 0.124 0.000 0.936 355 G HN 1.386 nan 8.290 nan 0.000 0.690 356 T N 1.705 116.340 114.554 0.136 0.000 2.751 356 T HA 0.405 4.755 4.350 0.000 0.000 0.279 356 T C 1.111 175.872 174.700 0.101 0.000 0.941 356 T CA 1.182 63.345 62.100 0.105 0.000 1.192 356 T CB 1.240 70.139 68.868 0.052 0.000 0.883 356 T HN 0.725 nan 8.240 nan 0.000 0.534 357 I N 3.602 124.241 120.570 0.114 0.000 4.228 357 I HA 0.320 4.490 4.170 0.000 0.000 0.298 357 I C -0.084 176.129 176.117 0.160 0.000 1.206 357 I CA -0.008 61.331 61.300 0.064 0.000 1.322 357 I CB 0.292 38.310 38.000 0.031 0.000 1.411 357 I HN 0.623 nan 8.210 nan 0.000 0.454 358 L N 2.877 124.181 121.223 0.135 0.000 3.642 358 L HA -0.171 4.169 4.340 0.000 0.000 0.613 358 L C -2.080 174.817 176.870 0.045 0.000 1.064 358 L CA -0.599 54.328 54.840 0.145 0.000 1.039 358 L CB -1.740 40.465 42.059 0.243 0.000 1.226 358 L HN 0.204 nan 8.230 nan 0.000 0.764 359 P HA -0.044 nan 4.420 nan 0.000 0.265 359 P C -0.084 177.114 177.300 -0.169 0.000 1.187 359 P CA 0.028 62.995 63.100 -0.221 0.000 0.766 359 P CB 0.350 31.974 31.700 -0.125 0.000 0.820 360 Y N 2.320 122.434 120.300 -0.311 0.000 2.846 360 Y HA -0.245 4.305 4.550 0.000 0.000 0.352 360 Y C 1.810 177.654 175.900 -0.093 0.000 1.298 360 Y CA -0.271 57.617 58.100 -0.354 0.000 1.634 360 Y CB -0.311 37.839 38.460 -0.517 0.000 1.214 360 Y HN 0.568 nan 8.280 nan 0.000 0.529 361 D N 1.247 121.786 120.400 0.232 0.000 2.632 361 D HA -0.366 4.274 4.640 0.000 0.000 0.588 361 D C 0.947 177.311 176.300 0.107 0.000 0.941 361 D CA 2.383 56.497 54.000 0.189 0.000 1.653 361 D CB -0.524 40.420 40.800 0.240 0.000 0.356 361 D HN 0.539 nan 8.370 nan 0.000 0.482 362 T N 0.334 114.942 114.554 0.089 0.000 3.751 362 T HA 0.209 4.559 4.350 0.000 0.000 0.240 362 T C -1.531 173.193 174.700 0.040 0.000 1.004 362 T CA -0.646 61.486 62.100 0.055 0.000 1.645 362 T CB -0.619 68.273 68.868 0.041 0.000 0.763 362 T HN 0.024 nan 8.240 nan 0.000 0.625 363 N N 3.808 122.534 118.700 0.044 0.000 2.372 363 N HA 0.422 5.162 4.740 0.000 0.000 0.291 363 N C -2.340 173.191 175.510 0.035 0.000 1.024 363 N CA -1.908 51.161 53.050 0.031 0.000 0.873 363 N CB 2.147 40.641 38.487 0.011 0.000 1.206 363 N HN 0.252 nan 8.380 nan 0.000 0.486 364 P HA 0.088 nan 4.420 nan 0.000 0.269 364 P C -0.690 176.625 177.300 0.026 0.000 1.601 364 P CA 0.399 63.509 63.100 0.017 0.000 0.831 364 P CB 0.019 31.726 31.700 0.011 0.000 1.688 365 D N 0.013 120.448 120.400 0.058 0.000 2.892 365 D HA 0.177 4.817 4.640 0.000 0.000 0.291 365 D C 1.456 177.794 176.300 0.064 0.000 1.341 365 D CA -0.179 53.884 54.000 0.104 0.000 0.844 365 D CB 0.577 41.457 40.800 0.134 0.000 1.093 365 D HN 0.206 nan 8.370 nan 0.000 0.480 366 L N 0.059 121.262 121.223 -0.033 0.000 2.084 366 L HA -0.015 4.325 4.340 0.000 0.000 0.202 366 L C 1.360 178.154 176.870 -0.127 0.000 1.074 366 L CA 0.521 55.283 54.840 -0.131 0.000 0.757 366 L CB -0.421 41.589 42.059 -0.082 0.000 0.918 366 L HN -0.026 nan 8.230 nan 0.000 0.444 367 S N -0.119 115.547 115.700 -0.057 0.000 2.562 367 S HA 0.193 4.663 4.470 0.000 0.000 0.281 367 S C 0.842 175.425 174.600 -0.027 0.000 1.333 367 S CA 0.174 58.354 58.200 -0.035 0.000 1.052 367 S CB 0.809 64.002 63.200 -0.011 0.000 0.884 367 S HN 0.530 nan 8.310 nan 0.000 0.506 368 T N -1.715 112.824 114.554 -0.026 0.000 5.686 368 T HA -0.197 4.153 4.350 0.000 0.000 0.270 368 T C 0.054 174.739 174.700 -0.026 0.000 2.203 368 T CA 0.513 62.605 62.100 -0.012 0.000 3.730 368 T CB -3.082 65.796 68.868 0.016 0.000 0.770 368 T HN 1.497 nan 8.240 nan 0.000 1.144 369 S N 1.093 116.736 115.700 -0.096 0.000 2.498 369 S HA 0.725 5.195 4.470 0.000 0.000 0.324 369 S C 0.213 174.695 174.600 -0.197 0.000 1.071 369 S CA -0.298 57.801 58.200 -0.168 0.000 1.113 369 S CB 1.853 64.774 63.200 -0.465 0.000 0.976 369 S HN 1.455 nan 8.310 nan 0.000 0.462 370 V N -0.394 119.432 119.914 -0.146 0.000 2.630 370 V HA 0.691 4.811 4.120 0.000 0.000 0.305 370 V C -3.127 172.861 176.094 -0.177 0.000 1.046 370 V CA -3.204 58.996 62.300 -0.168 0.000 0.934 370 V CB 0.972 32.742 31.823 -0.088 0.000 1.003 370 V HN 0.484 nan 8.190 nan 0.000 0.451 371 P HA 0.441 nan 4.420 nan 0.000 0.265 371 P C -0.413 176.836 177.300 -0.084 0.000 1.222 371 P CA 0.682 63.651 63.100 -0.218 0.000 0.767 371 P CB 0.602 32.093 31.700 -0.348 0.000 0.801 372 A N 3.925 126.709 122.820 -0.061 0.000 2.479 372 A HA 0.763 5.083 4.320 0.000 0.000 0.296 372 A C -1.622 176.006 177.584 0.074 0.000 1.121 372 A CA -0.618 51.424 52.037 0.008 0.000 0.743 372 A CB 1.134 20.108 19.000 -0.044 0.000 1.323 372 A HN 0.419 nan 8.150 nan 0.000 0.415 373 F N 1.437 121.381 119.950 -0.011 0.000 2.458 373 F HA 0.661 5.188 4.527 0.000 0.000 0.336 373 F C -0.986 174.831 175.800 0.028 0.000 1.114 373 F CA -0.535 57.472 58.000 0.011 0.000 0.987 373 F CB 1.755 40.769 39.000 0.023 0.000 1.130 373 F HN 0.327 nan 8.300 nan 0.000 0.458 374 V N 7.545 126.938 119.914 -0.868 0.000 2.444 374 V HA 0.353 4.473 4.120 0.000 0.000 0.294 374 V C -0.619 174.948 176.094 -0.877 0.000 1.022 374 V CA -0.813 61.101 62.300 -0.643 0.000 0.850 374 V CB 1.464 33.132 31.823 -0.259 0.000 0.992 374 V HN 0.718 nan 8.190 nan 0.000 0.426 375 L N 6.115 127.005 121.223 -0.555 0.000 2.350 375 L HA 0.579 4.919 4.340 0.000 0.000 0.275 375 L C -0.402 176.424 176.870 -0.073 0.000 1.099 375 L CA 0.369 55.074 54.840 -0.225 0.000 0.808 375 L CB 1.031 43.104 42.059 0.024 0.000 1.149 375 L HN 0.516 nan 8.230 nan 0.000 0.442 376 I N 4.259 124.852 120.570 0.039 0.000 2.362 376 I HA 0.341 4.511 4.170 0.000 0.000 0.289 376 I C -0.496 175.733 176.117 0.186 0.000 0.994 376 I CA -0.379 60.988 61.300 0.111 0.000 1.158 376 I CB 1.385 39.474 38.000 0.149 0.000 1.315 376 I HN 0.546 nan 8.210 nan 0.000 0.451 377 Q N 4.457 124.314 119.800 0.095 0.000 2.788 377 Q HA 0.350 4.690 4.340 0.000 0.000 0.261 377 Q C -0.588 175.405 176.000 -0.012 0.000 1.029 377 Q CA -0.234 55.581 55.803 0.020 0.000 0.848 377 Q CB 1.780 30.516 28.738 -0.004 0.000 1.185 377 Q HN 0.631 nan 8.270 nan 0.000 0.482 378 T N -0.994 113.569 114.554 0.016 0.000 2.886 378 T HA 0.255 4.605 4.350 0.000 0.000 0.292 378 T C 0.555 175.118 174.700 -0.227 0.000 1.012 378 T CA -0.473 61.614 62.100 -0.022 0.000 0.982 378 T CB 1.444 70.364 68.868 0.085 0.000 1.018 378 T HN 0.239 nan 8.240 nan 0.000 0.451 379 S N 2.286 117.801 115.700 -0.307 0.000 2.660 379 S HA 0.107 4.577 4.470 0.000 0.000 0.223 379 S C 0.461 175.114 174.600 0.088 0.000 0.963 379 S CA -0.044 57.894 58.200 -0.438 0.000 0.932 379 S CB -0.078 62.945 63.200 -0.294 0.000 0.775 379 S HN 0.550 nan 8.310 nan 0.000 0.531 380 V N 4.183 124.193 119.914 0.160 0.000 2.311 380 V HA 0.271 4.391 4.120 0.000 0.000 0.275 380 V C -2.536 173.755 176.094 0.329 0.000 1.022 380 V CA -2.324 60.112 62.300 0.225 0.000 0.830 380 V CB 0.943 32.832 31.823 0.110 0.000 1.012 380 V HN 0.044 nan 8.190 nan 0.000 0.452 381 P HA 0.076 nan 4.420 nan 0.000 0.262 381 P C 1.382 178.746 177.300 0.106 0.000 1.199 381 P CA -0.008 63.278 63.100 0.310 0.000 0.763 381 P CB 0.436 32.231 31.700 0.159 0.000 0.790 382 I N 2.395 122.920 120.570 -0.075 0.000 2.317 382 I HA -0.352 3.818 4.170 0.000 0.000 0.244 382 I C 1.810 177.978 176.117 0.086 0.000 0.986 382 I CA 2.131 63.350 61.300 -0.135 0.000 1.286 382 I CB -1.331 36.476 38.000 -0.323 0.000 0.983 382 I HN 0.463 nan 8.210 nan 0.000 0.422 383 Q N -0.197 119.638 119.800 0.058 0.000 2.364 383 Q HA -0.185 4.155 4.340 0.000 0.000 0.209 383 Q C 2.007 178.065 176.000 0.096 0.000 0.977 383 Q CA 0.996 56.841 55.803 0.070 0.000 0.885 383 Q CB -0.306 28.428 28.738 -0.007 0.000 0.941 383 Q HN 0.574 nan 8.270 nan 0.000 0.464 384 Q N -1.070 118.779 119.800 0.082 0.000 2.425 384 Q HA 0.088 4.428 4.340 0.000 0.000 0.204 384 Q C -0.238 175.798 176.000 0.059 0.000 0.933 384 Q CA 0.173 56.018 55.803 0.069 0.000 0.939 384 Q CB 0.685 29.462 28.738 0.065 0.000 1.044 384 Q HN 0.067 nan 8.270 nan 0.000 0.513 385 V N 2.189 122.137 119.914 0.057 0.000 2.276 385 V HA 0.067 4.187 4.120 0.000 0.000 0.249 385 V C 1.082 177.130 176.094 -0.076 0.000 1.160 385 V CA 0.699 62.984 62.300 -0.025 0.000 1.042 385 V CB -0.253 31.510 31.823 -0.101 0.000 1.224 385 V HN 0.398 nan 8.190 nan 0.000 0.496 386 T N -0.578 113.954 114.554 -0.038 0.000 3.023 386 T HA 0.108 4.458 4.350 0.000 0.000 0.249 386 T C 0.883 175.543 174.700 -0.067 0.000 1.050 386 T CA 0.651 62.726 62.100 -0.041 0.000 1.088 386 T CB 0.480 69.354 68.868 0.011 0.000 0.946 386 T HN 0.651 nan 8.240 nan 0.000 0.480 387 T N -1.860 112.658 114.554 -0.060 0.000 2.910 387 T HA 0.776 5.127 4.350 0.000 0.000 0.287 387 T C 1.602 176.261 174.700 -0.068 0.000 1.050 387 T CA -0.220 61.843 62.100 -0.061 0.000 1.011 387 T CB 1.456 70.299 68.868 -0.040 0.000 1.195 387 T HN 0.101 nan 8.240 nan 0.000 0.540 388 A N 0.788 123.570 122.820 -0.064 0.000 1.958 388 A HA 0.075 4.395 4.320 0.000 0.000 0.221 388 A C 2.622 180.181 177.584 -0.041 0.000 1.178 388 A CA 2.555 54.559 52.037 -0.056 0.000 0.642 388 A CB -1.672 17.298 19.000 -0.050 0.000 0.816 388 A HN 1.443 nan 8.150 nan 0.000 0.453 389 A N 0.552 123.352 122.820 -0.033 0.000 1.917 389 A HA -0.287 4.033 4.320 0.000 0.000 0.219 389 A C 1.801 179.374 177.584 -0.018 0.000 1.182 389 A CA 2.198 54.221 52.037 -0.023 0.000 0.633 389 A CB -0.880 18.109 19.000 -0.017 0.000 0.819 389 A HN 0.652 nan 8.150 nan 0.000 0.448 390 N N 0.663 119.351 118.700 -0.021 0.000 2.094 390 N HA -0.211 4.529 4.740 0.000 0.000 0.191 390 N C 1.470 176.974 175.510 -0.010 0.000 1.023 390 N CA 1.887 54.930 53.050 -0.013 0.000 0.857 390 N CB -0.853 37.623 38.487 -0.018 0.000 1.013 390 N HN 0.744 nan 8.380 nan 0.000 0.426 391 I N -1.949 118.605 120.570 -0.026 0.000 2.300 391 I HA -0.275 3.895 4.170 0.000 0.000 0.252 391 I C 1.135 177.253 176.117 0.001 0.000 1.119 391 I CA 1.255 62.544 61.300 -0.019 0.000 1.384 391 I CB -1.247 36.732 38.000 -0.035 0.000 1.062 391 I HN 0.094 nan 8.210 nan 0.000 0.426 392 T N -0.116 114.435 114.554 -0.005 0.000 13.467 392 T HA -0.362 3.988 4.350 0.000 0.000 0.419 392 T C 0.618 175.314 174.700 -0.006 0.000 1.441 392 T CA 2.241 64.336 62.100 -0.008 0.000 2.354 392 T CB -1.807 67.053 68.868 -0.014 0.000 2.797 392 T HN 1.204 nan 8.240 nan 0.000 0.557 393 A N 1.953 124.773 122.820 0.000 0.000 2.310 393 A HA 0.692 5.012 4.320 0.000 0.000 0.304 393 A C -0.174 177.414 177.584 0.007 0.000 1.231 393 A CA -0.744 51.295 52.037 0.004 0.000 0.799 393 A CB 0.215 19.218 19.000 0.004 0.000 1.162 393 A HN 0.809 nan 8.150 nan 0.000 0.486 394 I N 1.700 122.270 120.570 -0.001 0.000 2.281 394 I HA 0.478 4.648 4.170 0.000 0.000 0.293 394 I C 0.269 176.385 176.117 -0.003 0.000 1.085 394 I CA -0.252 61.044 61.300 -0.007 0.000 1.257 394 I CB 0.834 38.828 38.000 -0.009 0.000 1.430 394 I HN 0.410 nan 8.210 nan 0.000 0.489 395 T N 2.875 117.422 114.554 -0.012 0.000 2.770 395 T HA 0.495 4.845 4.350 0.000 0.000 0.297 395 T C 0.007 174.688 174.700 -0.032 0.000 0.997 395 T CA -0.774 61.326 62.100 -0.000 0.000 0.949 395 T CB 1.110 69.989 68.868 0.019 0.000 0.941 395 T HN 0.337 nan 8.240 nan 0.000 0.457 396 V N 5.230 125.141 119.914 -0.006 0.000 2.400 396 V HA 0.025 4.145 4.120 0.000 0.000 0.263 396 V C 1.362 177.475 176.094 0.031 0.000 1.026 396 V CA -0.069 62.228 62.300 -0.006 0.000 1.077 396 V CB -0.462 31.376 31.823 0.026 0.000 1.054 396 V HN 0.905 nan 8.190 nan 0.000 0.477 397 V N 3.366 123.309 119.914 0.049 0.000 2.581 397 V HA 0.050 4.170 4.120 0.000 0.000 0.240 397 V C 1.117 177.313 176.094 0.171 0.000 1.054 397 V CA 0.952 63.338 62.300 0.143 0.000 1.076 397 V CB 0.328 32.294 31.823 0.237 0.000 0.748 397 V HN 0.795 nan 8.190 nan 0.000 0.474 398 S N 0.416 116.250 115.700 0.223 0.000 2.328 398 S HA 0.726 5.196 4.470 0.000 0.000 0.204 398 S C 0.391 175.070 174.600 0.133 0.000 1.475 398 S CA 0.321 58.650 58.200 0.214 0.000 1.148 398 S CB 1.208 64.582 63.200 0.290 0.000 1.077 398 S HN 0.490 nan 8.310 nan 0.000 0.479 399 A N 1.361 124.232 122.820 0.085 0.000 2.295 399 A HA 0.797 5.117 4.320 0.000 0.000 0.193 399 A C 1.209 178.823 177.584 0.051 0.000 1.512 399 A CA 0.721 52.791 52.037 0.055 0.000 1.103 399 A CB -0.407 18.605 19.000 0.020 0.000 1.331 399 A HN 1.373 nan 8.150 nan 0.000 0.501 400 A N -0.438 122.411 122.820 0.049 0.000 5.218 400 A HA -0.056 4.264 4.320 0.000 0.000 0.318 400 A C 1.536 179.127 177.584 0.011 0.000 1.887 400 A CA 1.363 53.421 52.037 0.036 0.000 0.712 400 A CB -2.032 16.999 19.000 0.052 0.000 1.343 400 A HN 2.113 nan 8.150 nan 0.000 0.377 401 G N -0.328 108.480 108.800 0.013 0.000 2.494 401 G HA2 0.610 4.570 3.960 0.000 0.000 0.297 401 G HA3 0.610 4.570 3.960 0.000 0.000 0.297 401 G C 0.195 175.084 174.900 -0.017 0.000 0.971 401 G CA 1.051 46.145 45.100 -0.009 0.000 1.378 401 G HN 2.098 nan 8.290 nan 0.000 0.456 402 A N 2.933 125.721 122.820 -0.053 0.000 3.126 402 A HA 0.585 4.905 4.320 0.000 0.000 0.268 402 A C 1.215 178.755 177.584 -0.073 0.000 1.605 402 A CA 0.147 52.148 52.037 -0.059 0.000 1.305 402 A CB -0.218 18.744 19.000 -0.064 0.000 1.160 402 A HN 0.891 nan 8.150 nan 0.000 0.609 403 S N 0.088 115.762 115.700 -0.044 0.000 3.657 403 S HA 0.930 5.400 4.470 0.000 0.000 0.183 403 S C 0.329 174.917 174.600 -0.019 0.000 0.995 403 S CA 0.247 58.429 58.200 -0.029 0.000 1.333 403 S CB 0.366 63.550 63.200 -0.028 0.000 1.197 403 S HN 2.115 nan 8.310 nan 0.000 0.856 404 A N -0.249 122.569 122.820 -0.004 0.000 2.519 404 A HA 0.642 4.962 4.320 0.000 0.000 0.298 404 A C -2.117 175.482 177.584 0.025 0.000 0.963 404 A CA -0.252 51.792 52.037 0.012 0.000 0.624 404 A CB 0.015 19.003 19.000 -0.019 0.000 1.356 404 A HN 1.390 nan 8.150 nan 0.000 0.441 405 I N 0.033 120.637 120.570 0.056 0.000 2.775 405 I HA 0.504 4.674 4.170 0.000 0.000 0.295 405 I C -0.978 175.190 176.117 0.085 0.000 1.287 405 I CA -0.470 60.860 61.300 0.050 0.000 1.029 405 I CB 2.107 40.127 38.000 0.034 0.000 1.282 405 I HN 0.569 nan 8.210 nan 0.000 0.426 406 N N 6.745 125.476 118.700 0.051 0.000 2.736 406 N HA 0.146 4.886 4.740 0.000 0.000 0.307 406 N C 0.772 176.309 175.510 0.045 0.000 1.212 406 N CA 0.264 53.348 53.050 0.057 0.000 1.158 406 N CB -0.191 38.312 38.487 0.026 0.000 1.460 406 N HN 0.539 nan 8.380 nan 0.000 0.514 407 L N -0.280 120.985 121.223 0.071 0.000 2.478 407 L HA 0.091 4.431 4.340 0.000 0.000 0.223 407 L C 1.095 177.904 176.870 -0.101 0.000 1.140 407 L CA -0.084 54.708 54.840 -0.080 0.000 0.842 407 L CB -0.249 41.636 42.059 -0.290 0.000 0.953 407 L HN 0.373 nan 8.230 nan 0.000 0.452 408 A N 0.657 123.517 122.820 0.067 0.000 2.450 408 A HA 0.301 4.621 4.320 0.000 0.000 0.255 408 A C 0.319 177.919 177.584 0.027 0.000 1.096 408 A CA -0.384 51.700 52.037 0.078 0.000 0.778 408 A CB -0.241 18.845 19.000 0.143 0.000 1.031 408 A HN 0.213 nan 8.150 nan 0.000 0.494 409 I N 3.266 123.845 120.570 0.016 0.000 2.856 409 I HA -0.099 4.071 4.170 0.000 0.000 0.312 409 I C 1.064 177.191 176.117 0.018 0.000 1.186 409 I CA 0.478 61.782 61.300 0.008 0.000 2.036 409 I CB -0.947 37.055 38.000 0.003 0.000 1.589 409 I HN 0.739 nan 8.210 nan 0.000 0.968 410 N N 2.186 120.896 118.700 0.016 0.000 2.463 410 N HA -0.060 4.680 4.740 0.000 0.000 0.181 410 N C 1.772 177.290 175.510 0.013 0.000 1.078 410 N CA 0.132 53.193 53.050 0.018 0.000 0.902 410 N CB 0.319 38.816 38.487 0.018 0.000 0.970 410 N HN 0.362 nan 8.380 nan 0.000 0.451 411 V N 0.920 120.840 119.914 0.009 0.000 2.324 411 V HA -0.205 3.915 4.120 0.000 0.000 0.250 411 V C 1.211 177.311 176.094 0.009 0.000 1.060 411 V CA 1.654 63.959 62.300 0.007 0.000 1.042 411 V CB -0.262 31.563 31.823 0.004 0.000 0.650 411 V HN 0.269 nan 8.190 nan 0.000 0.450 412 R N -0.379 120.128 120.500 0.011 0.000 2.700 412 R HA 0.461 4.801 4.340 0.000 0.000 0.377 412 R C 1.229 177.538 176.300 0.016 0.000 1.130 412 R CA 0.546 56.653 56.100 0.012 0.000 1.055 412 R CB 0.396 30.703 30.300 0.011 0.000 1.387 412 R HN 0.454 nan 8.270 nan 0.000 0.580 413 G N -0.118 108.692 108.800 0.016 0.000 2.253 413 G HA2 -0.364 3.596 3.960 0.000 0.000 0.251 413 G HA3 -0.364 3.596 3.960 0.000 0.000 0.251 413 G C 0.054 174.969 174.900 0.025 0.000 0.998 413 G CA -0.097 45.014 45.100 0.020 0.000 0.621 413 G HN 0.399 nan 8.290 nan 0.000 0.524 414 Q N 1.379 121.194 119.800 0.026 0.000 2.361 414 Q HA 0.460 4.800 4.340 0.000 0.000 0.276 414 Q C -2.173 173.852 176.000 0.042 0.000 1.022 414 Q CA -0.376 55.447 55.803 0.034 0.000 0.898 414 Q CB 1.145 29.902 28.738 0.031 0.000 1.246 414 Q HN 0.355 nan 8.270 nan 0.000 0.410 415 P HA 0.281 nan 4.420 nan 0.000 0.199 415 P C -1.194 176.162 177.300 0.094 0.000 1.878 415 P CA -0.536 62.606 63.100 0.069 0.000 1.202 415 P CB 0.766 32.503 31.700 0.062 0.000 1.719 416 R N 2.160 122.716 120.500 0.093 0.000 2.371 416 R HA 0.323 4.663 4.340 0.000 0.000 0.312 416 R C -0.325 176.050 176.300 0.126 0.000 0.980 416 R CA -1.137 55.025 56.100 0.103 0.000 0.867 416 R CB 0.296 30.633 30.300 0.061 0.000 1.163 416 R HN 0.316 nan 8.270 nan 0.000 0.492 417 F N 3.203 123.164 119.950 0.017 0.000 2.392 417 F HA -0.188 4.339 4.527 0.000 0.000 0.385 417 F C 1.351 177.161 175.800 0.017 0.000 1.032 417 F CA 0.568 58.578 58.000 0.016 0.000 1.008 417 F CB -0.020 38.993 39.000 0.021 0.000 0.915 417 F HN 0.551 nan 8.300 nan 0.000 0.532 418 N N 6.019 124.278 118.700 -0.735 0.000 2.236 418 N HA -0.134 4.606 4.740 0.000 0.000 0.238 418 N C 0.179 175.380 175.510 -0.516 0.000 1.244 418 N CA -0.287 52.393 53.050 -0.616 0.000 0.848 418 N CB 0.464 38.615 38.487 -0.560 0.000 1.094 418 N HN 0.615 nan 8.380 nan 0.000 0.448 419 M N 2.539 122.011 119.600 -0.213 0.000 2.435 419 M HA 0.182 4.662 4.480 0.000 0.000 0.338 419 M C -1.073 175.212 176.300 -0.026 0.000 1.628 419 M CA -0.241 55.020 55.300 -0.065 0.000 1.215 419 M CB 0.140 32.733 32.600 -0.011 0.000 1.905 419 M HN 0.371 nan 8.290 nan 0.000 0.457 420 L N 4.117 125.396 121.223 0.093 0.000 2.334 420 L HA 0.363 4.703 4.340 0.000 0.000 0.277 420 L C -0.729 176.246 176.870 0.175 0.000 1.075 420 L CA 0.037 54.981 54.840 0.172 0.000 0.804 420 L CB 1.049 43.303 42.059 0.324 0.000 1.174 420 L HN 0.729 nan 8.230 nan 0.000 0.438 421 H N 4.199 123.308 119.070 0.065 0.000 2.661 421 H HA 0.486 5.042 4.556 0.000 0.000 0.290 421 H C -1.060 174.300 175.328 0.053 0.000 1.082 421 H CA -0.439 55.638 56.048 0.049 0.000 1.234 421 H CB 0.446 30.226 29.762 0.029 0.000 1.387 421 H HN 0.545 nan 8.280 nan 0.000 0.476 422 L N 3.964 125.160 121.223 -0.045 0.000 2.357 422 L HA 0.371 4.711 4.340 0.000 0.000 0.273 422 L C -0.273 176.535 176.870 -0.104 0.000 1.080 422 L CA -0.728 54.103 54.840 -0.016 0.000 0.803 422 L CB 1.282 43.362 42.059 0.034 0.000 1.174 422 L HN 0.573 nan 8.230 nan 0.000 0.443 423 Q N 2.313 122.099 119.800 -0.023 0.000 2.304 423 Q HA 0.546 4.886 4.340 0.000 0.000 0.270 423 Q C -1.128 174.871 176.000 -0.002 0.000 1.035 423 Q CA -0.482 55.300 55.803 -0.035 0.000 0.781 423 Q CB 2.390 31.147 28.738 0.031 0.000 1.261 423 Q HN 0.669 nan 8.270 nan 0.000 0.444 424 A N 1.852 124.631 122.820 -0.068 0.000 2.536 424 A HA 0.378 4.698 4.320 0.000 0.000 0.329 424 A C 0.364 177.965 177.584 0.028 0.000 1.321 424 A CA -0.718 51.317 52.037 -0.004 0.000 0.804 424 A CB 0.004 18.924 19.000 -0.134 0.000 1.126 424 A HN 0.639 nan 8.150 nan 0.000 0.480 425 T N 0.618 115.197 114.554 0.043 0.000 3.235 425 T HA -0.053 4.297 4.350 0.000 0.000 0.211 425 T C 0.056 174.770 174.700 0.024 0.000 0.983 425 T CA 0.014 62.126 62.100 0.019 0.000 2.783 425 T CB -1.235 67.638 68.868 0.008 0.000 1.023 425 T HN 0.519 nan 8.240 nan 0.000 0.506 426 F N 3.513 123.450 119.950 -0.021 0.000 2.616 426 F HA 0.207 4.734 4.527 0.000 0.000 0.331 426 F C 0.029 175.822 175.800 -0.013 0.000 1.309 426 F CA -1.249 56.744 58.000 -0.011 0.000 1.068 426 F CB -0.750 38.230 39.000 -0.034 0.000 1.464 426 F HN 0.410 nan 8.300 nan 0.000 0.667 427 E N 6.206 126.175 120.200 -0.385 0.000 2.101 427 E HA 0.104 4.454 4.350 0.000 0.000 0.260 427 E C 1.260 177.758 176.600 -0.169 0.000 0.897 427 E CA -0.331 55.862 56.400 -0.344 0.000 0.744 427 E CB 0.751 30.351 29.700 -0.165 0.000 1.140 427 E HN 0.708 nan 8.360 nan 0.000 0.419 428 R N 1.947 122.302 120.500 -0.242 0.000 2.211 428 R HA -0.182 4.158 4.340 0.000 0.000 0.240 428 R C 0.673 176.992 176.300 0.032 0.000 1.144 428 R CA 1.380 57.507 56.100 0.045 0.000 0.992 428 R CB -0.070 30.312 30.300 0.136 0.000 0.869 428 R HN 0.208 nan 8.270 nan 0.000 0.462 429 E N 0.904 121.092 120.200 -0.021 0.000 2.153 429 E HA -0.104 4.245 4.350 0.000 0.000 0.194 429 E C 1.807 178.410 176.600 0.004 0.000 0.988 429 E CA 1.926 58.321 56.400 -0.008 0.000 0.811 429 E CB -0.171 29.513 29.700 -0.026 0.000 0.746 429 E HN 0.376 nan 8.360 nan 0.000 0.466 430 T N 0.583 115.140 114.554 0.006 0.000 2.721 430 T HA -0.186 4.164 4.350 0.000 0.000 0.268 430 T C 1.717 176.436 174.700 0.032 0.000 1.038 430 T CA 1.522 63.635 62.100 0.022 0.000 1.145 430 T CB -0.174 68.713 68.868 0.031 0.000 0.858 430 T HN 0.150 nan 8.240 nan 0.000 0.459 431 I N 0.084 120.680 120.570 0.044 0.000 3.616 431 I HA 0.097 4.267 4.170 0.000 0.000 0.296 431 I C 0.956 177.089 176.117 0.028 0.000 1.226 431 I CA 0.375 61.697 61.300 0.036 0.000 1.394 431 I CB -0.247 37.780 38.000 0.045 0.000 1.171 431 I HN 0.190 nan 8.210 nan 0.000 0.442 432 T N 0.057 114.633 114.554 0.037 0.000 3.882 432 T HA -0.131 4.219 4.350 0.000 0.000 0.366 432 T C 0.880 175.604 174.700 0.039 0.000 0.760 432 T CA 0.267 62.388 62.100 0.035 0.000 1.931 432 T CB -2.594 66.288 68.868 0.023 0.000 1.807 432 T HN 1.341 nan 8.240 nan 0.000 0.790 433 G N 1.499 110.329 108.800 0.051 0.000 2.575 433 G HA2 -0.088 3.872 3.960 0.000 0.000 0.267 433 G HA3 -0.088 3.872 3.960 0.000 0.000 0.267 433 G C 0.690 175.596 174.900 0.010 0.000 1.264 433 G CA 0.495 45.625 45.100 0.050 0.000 0.935 433 G HN 1.780 nan 8.290 nan 0.000 0.568 434 I N -2.673 117.920 120.570 0.037 0.000 4.538 434 I HA -0.232 3.938 4.170 0.000 0.000 0.053 434 I C -1.560 174.423 176.117 -0.224 0.000 0.613 434 I CA 1.998 63.288 61.300 -0.018 0.000 0.944 434 I CB -1.918 36.078 38.000 -0.006 0.000 0.852 434 I HN 0.744 nan 8.210 nan 0.000 0.162 435 P HA 0.258 nan 4.420 nan 0.000 0.219 435 P C -0.731 176.246 177.300 -0.539 0.000 1.847 435 P CA -0.111 62.707 63.100 -0.469 0.000 1.110 435 P CB -0.611 30.944 31.700 -0.241 0.000 1.839 436 Y N 1.044 121.258 120.300 -0.142 0.000 3.073 436 Y HA -0.064 4.486 4.550 0.000 0.000 0.343 436 Y C 1.094 176.572 175.900 -0.702 0.000 1.274 436 Y CA -0.401 57.499 58.100 -0.333 0.000 1.554 436 Y CB -0.592 37.673 38.460 -0.325 0.000 1.250 436 Y HN 0.150 nan 8.280 nan 0.000 0.622 437 I N 4.228 124.527 120.570 -0.453 0.000 2.325 437 I HA 0.250 4.420 4.170 0.000 0.000 0.291 437 I C -0.534 175.314 176.117 -0.448 0.000 1.019 437 I CA -0.188 60.886 61.300 -0.377 0.000 1.302 437 I CB -0.135 37.792 38.000 -0.121 0.000 1.401 437 I HN 0.462 nan 8.210 nan 0.000 0.485 438 Y N 3.756 124.088 120.300 0.053 0.000 2.602 438 Y HA 0.912 5.462 4.550 0.000 0.000 0.342 438 Y C 0.573 176.497 175.900 0.040 0.000 1.029 438 Y CA -1.330 56.798 58.100 0.047 0.000 1.080 438 Y CB 2.191 40.678 38.460 0.045 0.000 1.284 438 Y HN 0.557 nan 8.280 nan 0.000 0.485 439 G N 0.687 109.626 108.800 0.232 0.000 2.732 439 G HA2 0.550 4.510 3.960 0.000 0.000 0.296 439 G HA3 0.550 4.510 3.960 0.000 0.000 0.296 439 G C -2.635 172.304 174.900 0.064 0.000 1.448 439 G CA -0.633 44.503 45.100 0.060 0.000 0.911 439 G HN 0.549 nan 8.290 nan 0.000 0.528 440 L N 0.448 121.573 121.223 -0.164 0.000 2.303 440 L HA 0.984 5.324 4.340 0.000 0.000 0.256 440 L C 0.288 177.147 176.870 -0.018 0.000 1.034 440 L CA -0.463 54.349 54.840 -0.047 0.000 0.832 440 L CB 2.378 44.396 42.059 -0.069 0.000 1.403 440 L HN 0.905 nan 8.230 nan 0.000 0.419 441 G N -0.078 108.745 108.800 0.038 0.000 2.470 441 G HA2 0.609 4.569 3.960 0.000 0.000 0.320 441 G HA3 0.609 4.569 3.960 0.000 0.000 0.320 441 G C -1.316 173.543 174.900 -0.069 0.000 1.245 441 G CA -0.271 44.850 45.100 0.035 0.000 0.935 441 G HN 0.668 nan 8.290 nan 0.000 0.476 442 T N 0.953 115.442 114.554 -0.109 0.000 3.289 442 T HA 0.333 4.683 4.350 0.000 0.000 0.370 442 T C -0.787 173.817 174.700 -0.158 0.000 1.546 442 T CA -0.690 61.299 62.100 -0.185 0.000 1.144 442 T CB 0.265 69.153 68.868 0.034 0.000 1.379 442 T HN 0.971 nan 8.240 nan 0.000 0.478 443 F N 4.488 124.371 119.950 -0.112 0.000 2.583 443 F HA 0.400 4.927 4.527 0.000 0.000 0.330 443 F C -0.071 175.464 175.800 -0.442 0.000 1.298 443 F CA -1.295 56.576 58.000 -0.215 0.000 1.099 443 F CB -1.447 37.446 39.000 -0.179 0.000 1.540 443 F HN 0.378 nan 8.300 nan 0.000 0.673 444 L N 4.282 125.273 121.223 -0.388 0.000 2.326 444 L HA 0.582 4.922 4.340 0.000 0.000 0.278 444 L C -0.526 176.121 176.870 -0.372 0.000 1.092 444 L CA -0.548 53.771 54.840 -0.869 0.000 0.810 444 L CB 1.080 42.864 42.059 -0.457 0.000 1.153 444 L HN 0.667 nan 8.230 nan 0.000 0.439 445 I N 5.840 126.291 120.570 -0.198 0.000 2.569 445 I HA 0.426 4.596 4.170 0.000 0.000 0.296 445 I C -2.007 174.193 176.117 0.139 0.000 1.028 445 I CA -2.335 59.009 61.300 0.072 0.000 1.082 445 I CB 2.680 40.804 38.000 0.207 0.000 1.264 445 I HN 0.530 nan 8.210 nan 0.000 0.429 446 P HA -0.057 nan 4.420 nan 0.000 0.214 446 P C 0.105 177.479 177.300 0.123 0.000 1.162 446 P CA 0.625 63.817 63.100 0.153 0.000 0.871 446 P CB 0.186 31.977 31.700 0.151 0.000 0.783 447 S N 0.934 116.692 115.700 0.095 0.000 2.481 447 S HA 0.152 4.622 4.470 0.000 0.000 0.282 447 S C -2.323 172.308 174.600 0.052 0.000 1.243 447 S CA -1.364 56.878 58.200 0.070 0.000 1.078 447 S CB -0.770 62.464 63.200 0.055 0.000 0.916 447 S HN -0.130 nan 8.310 nan 0.000 0.495 448 P HA 0.085 nan 4.420 nan 0.000 0.264 448 P C -0.492 176.775 177.300 -0.055 0.000 1.193 448 P CA 0.006 63.103 63.100 -0.004 0.000 0.763 448 P CB 0.340 32.034 31.700 -0.010 0.000 0.810 449 T N -0.569 113.915 114.554 -0.116 0.000 2.795 449 T HA 0.280 4.630 4.350 0.000 0.000 0.282 449 T C 0.283 174.879 174.700 -0.173 0.000 0.980 449 T CA -0.784 61.171 62.100 -0.241 0.000 1.012 449 T CB 0.585 69.137 68.868 -0.526 0.000 0.936 449 T HN 0.147 nan 8.240 nan 0.000 0.457 450 S N 2.895 118.509 115.700 -0.144 0.000 2.686 450 S HA 0.095 4.565 4.470 0.000 0.000 0.324 450 S C 1.702 176.282 174.600 -0.034 0.000 1.172 450 S CA -0.226 57.932 58.200 -0.070 0.000 1.127 450 S CB -0.696 62.480 63.200 -0.040 0.000 1.338 450 S HN 0.858 nan 8.310 nan 0.000 0.547 451 S N 4.102 119.777 115.700 -0.043 0.000 2.389 451 S HA -0.190 4.280 4.470 0.000 0.000 0.231 451 S C 2.220 176.810 174.600 -0.017 0.000 1.052 451 S CA 2.362 60.546 58.200 -0.028 0.000 1.053 451 S CB -0.610 62.556 63.200 -0.056 0.000 0.886 451 S HN 0.996 nan 8.310 nan 0.000 0.456 452 S N 1.780 117.470 115.700 -0.017 0.000 2.348 452 S HA -0.142 4.328 4.470 0.000 0.000 0.221 452 S C 1.638 176.240 174.600 0.004 0.000 1.033 452 S CA 1.450 59.642 58.200 -0.012 0.000 1.010 452 S CB -1.097 62.095 63.200 -0.013 0.000 0.891 452 S HN 0.648 nan 8.310 nan 0.000 0.442 453 N N 1.885 120.596 118.700 0.018 0.000 1.997 453 N HA -0.051 4.689 4.740 0.000 0.000 0.198 453 N C 0.587 176.160 175.510 0.106 0.000 1.063 453 N CA 1.378 54.457 53.050 0.048 0.000 0.860 453 N CB -0.813 37.698 38.487 0.040 0.000 1.063 453 N HN 0.560 nan 8.380 nan 0.000 0.424 454 F N 1.949 121.846 119.950 -0.087 0.000 2.626 454 F HA 0.233 4.760 4.527 0.000 0.000 0.353 454 F C 1.201 176.958 175.800 -0.072 0.000 1.230 454 F CA -0.864 57.083 58.000 -0.087 0.000 1.298 454 F CB -0.366 38.520 39.000 -0.189 0.000 1.670 454 F HN 0.063 nan 8.300 nan 0.000 0.633 455 S N 1.278 116.897 115.700 -0.136 0.000 2.420 455 S HA -0.275 4.195 4.470 0.000 0.000 0.237 455 S C 1.031 175.412 174.600 -0.365 0.000 1.023 455 S CA 0.748 58.821 58.200 -0.213 0.000 0.991 455 S CB -0.787 62.348 63.200 -0.108 0.000 0.792 455 S HN 0.768 nan 8.310 nan 0.000 0.488 456 N N 3.330 121.683 118.700 -0.579 0.000 2.440 456 N HA 0.041 4.781 4.740 0.000 0.000 0.265 456 N C -1.337 173.757 175.510 -0.693 0.000 1.239 456 N CA -1.285 51.414 53.050 -0.585 0.000 0.909 456 N CB 1.139 39.282 38.487 -0.572 0.000 1.066 456 N HN 0.129 nan 8.380 nan 0.000 0.474 457 P HA -0.073 nan 4.420 nan 0.000 0.205 457 P C 0.300 177.650 177.300 0.083 0.000 1.193 457 P CA 1.332 64.369 63.100 -0.106 0.000 0.929 457 P CB 0.148 31.823 31.700 -0.043 0.000 0.772 458 T N -2.290 112.323 114.554 0.098 0.000 3.230 458 T HA 0.326 4.676 4.350 0.000 0.000 0.390 458 T C -1.276 173.382 174.700 -0.069 0.000 1.761 458 T CA -0.619 61.594 62.100 0.189 0.000 1.129 458 T CB -0.199 68.762 68.868 0.155 0.000 1.583 458 T HN -0.114 nan 8.240 nan 0.000 0.480 459 L N 3.999 125.126 121.223 -0.160 0.000 3.108 459 L HA 0.472 4.812 4.340 0.000 0.000 0.251 459 L C 0.961 177.651 176.870 -0.300 0.000 1.315 459 L CA -0.248 54.478 54.840 -0.190 0.000 1.048 459 L CB 0.314 42.405 42.059 0.053 0.000 1.432 459 L HN 0.551 nan 8.230 nan 0.000 0.543 460 M N 1.636 120.928 119.600 -0.513 0.000 3.011 460 M HA 0.113 4.593 4.480 0.000 0.000 0.292 460 M C -0.874 175.317 176.300 -0.183 0.000 1.440 460 M CA 0.346 55.407 55.300 -0.398 0.000 1.552 460 M CB -0.322 31.971 32.600 -0.511 0.000 1.187 460 M HN 0.230 nan 8.290 nan 0.000 0.520 461 D N 2.938 123.265 120.400 -0.122 0.000 2.518 461 D HA 0.405 5.045 4.640 0.000 0.000 0.230 461 D C 0.478 176.768 176.300 -0.017 0.000 1.138 461 D CA -0.099 53.858 54.000 -0.072 0.000 0.964 461 D CB 1.025 41.761 40.800 -0.107 0.000 1.011 461 D HN 0.682 nan 8.370 nan 0.000 0.517 462 G N 0.645 109.448 108.800 0.006 0.000 3.407 462 G HA2 0.484 4.444 3.960 0.000 0.000 0.187 462 G HA3 0.484 4.444 3.960 0.000 0.000 0.187 462 G C -0.940 173.992 174.900 0.053 0.000 1.262 462 G CA -0.325 44.798 45.100 0.038 0.000 0.808 462 G HN 0.308 nan 8.290 nan 0.000 0.687 463 L N -0.428 120.831 121.223 0.059 0.000 2.330 463 L HA 0.833 5.173 4.340 0.000 0.000 0.271 463 L C -1.431 175.484 176.870 0.076 0.000 1.013 463 L CA -0.835 54.048 54.840 0.071 0.000 0.816 463 L CB 2.079 44.173 42.059 0.057 0.000 1.287 463 L HN 0.318 nan 8.230 nan 0.000 0.435 464 L N 3.125 124.423 121.223 0.126 0.000 2.454 464 L HA 0.475 4.815 4.340 0.000 0.000 0.258 464 L C -0.785 176.217 176.870 0.220 0.000 1.025 464 L CA 0.166 55.097 54.840 0.151 0.000 0.901 464 L CB 1.181 43.359 42.059 0.199 0.000 1.210 464 L HN 0.634 nan 8.230 nan 0.000 0.457 465 T N 3.875 118.491 114.554 0.103 0.000 2.997 465 T HA 0.285 4.635 4.350 0.000 0.000 0.311 465 T C 0.202 174.946 174.700 0.073 0.000 1.079 465 T CA -0.251 61.903 62.100 0.090 0.000 0.982 465 T CB 0.289 69.168 68.868 0.018 0.000 1.032 465 T HN 0.251 nan 8.240 nan 0.000 0.581 466 V N 4.699 124.704 119.914 0.151 0.000 2.458 466 V HA 0.020 4.140 4.120 0.000 0.000 0.287 466 V C 1.104 177.209 176.094 0.018 0.000 1.009 466 V CA 0.225 62.537 62.300 0.019 0.000 1.091 466 V CB 0.098 31.824 31.823 -0.161 0.000 0.960 466 V HN 0.815 nan 8.190 nan 0.000 0.476 467 T N 9.055 123.598 114.554 -0.017 0.000 3.579 467 T HA 0.172 4.522 4.350 0.000 0.000 0.328 467 T C -2.003 172.676 174.700 -0.034 0.000 1.481 467 T CA -0.861 61.229 62.100 -0.018 0.000 1.144 467 T CB 0.198 69.057 68.868 -0.014 0.000 1.205 467 T HN 0.579 nan 8.240 nan 0.000 0.812 468 P HA 0.058 nan 4.420 nan 0.000 0.244 468 P C 1.476 178.754 177.300 -0.036 0.000 1.723 468 P CA -0.131 62.943 63.100 -0.044 0.000 1.110 468 P CB -0.239 31.442 31.700 -0.032 0.000 1.972 469 V N 1.082 120.965 119.914 -0.051 0.000 2.317 469 V HA -0.213 3.907 4.120 0.000 0.000 0.251 469 V C 1.344 177.413 176.094 -0.041 0.000 1.065 469 V CA 1.304 63.576 62.300 -0.047 0.000 1.049 469 V CB -1.451 30.337 31.823 -0.060 0.000 0.651 469 V HN 0.195 nan 8.190 nan 0.000 0.450 470 L N 0.737 121.927 121.223 -0.055 0.000 2.387 470 L HA 0.372 4.712 4.340 0.000 0.000 0.267 470 L C 1.023 177.881 176.870 -0.019 0.000 1.197 470 L CA 0.190 55.004 54.840 -0.043 0.000 1.070 470 L CB 0.302 42.323 42.059 -0.064 0.000 1.349 470 L HN 0.151 nan 8.230 nan 0.000 0.422 471 L N 2.183 123.402 121.223 -0.007 0.000 2.450 471 L HA -0.038 4.302 4.340 0.000 0.000 0.224 471 L C 1.086 177.967 176.870 0.019 0.000 1.149 471 L CA 0.801 55.648 54.840 0.012 0.000 0.816 471 L CB -0.588 41.479 42.059 0.014 0.000 0.932 471 L HN 0.413 nan 8.230 nan 0.000 0.449 472 R N 1.675 122.180 120.500 0.008 0.000 2.343 472 R HA 0.076 4.416 4.340 0.000 0.000 0.326 472 R C -0.062 176.248 176.300 0.017 0.000 1.055 472 R CA 0.078 56.186 56.100 0.012 0.000 0.961 472 R CB -0.755 29.547 30.300 0.003 0.000 0.978 472 R HN 0.241 nan 8.270 nan 0.000 0.443 473 E N 1.311 121.530 120.200 0.031 0.000 5.193 473 E HA -0.131 4.219 4.350 0.000 0.000 0.181 473 E C -1.202 175.426 176.600 0.047 0.000 1.240 473 E CA 0.181 56.603 56.400 0.037 0.000 1.194 473 E CB -0.451 29.265 29.700 0.027 0.000 1.015 473 E HN 0.697 nan 8.360 nan 0.000 0.369 474 T N 1.634 116.227 114.554 0.066 0.000 2.851 474 T HA 0.329 4.679 4.350 0.000 0.000 0.298 474 T C 0.527 175.275 174.700 0.080 0.000 0.977 474 T CA -0.174 61.970 62.100 0.073 0.000 1.126 474 T CB 1.366 70.293 68.868 0.098 0.000 0.916 474 T HN 0.272 nan 8.240 nan 0.000 0.529 475 T N 3.293 117.892 114.554 0.075 0.000 2.853 475 T HA 0.069 4.419 4.350 0.000 0.000 0.298 475 T C -0.498 174.281 174.700 0.132 0.000 0.978 475 T CA -0.034 62.122 62.100 0.094 0.000 1.152 475 T CB -0.324 68.585 68.868 0.067 0.000 0.914 475 T HN 0.652 nan 8.240 nan 0.000 0.539 476 Y N 4.328 124.628 120.300 0.001 0.000 2.676 476 Y HA 0.249 4.799 4.550 0.000 0.000 0.338 476 Y C 0.401 176.306 175.900 0.008 0.000 1.057 476 Y CA -0.821 57.274 58.100 -0.008 0.000 1.314 476 Y CB -0.261 38.185 38.460 -0.023 0.000 1.164 476 Y HN 0.703 nan 8.280 nan 0.000 0.509 477 K N 4.434 124.787 120.400 -0.078 0.000 4.387 477 K HA -0.238 4.082 4.320 0.000 0.000 0.290 477 K C 1.016 177.641 176.600 0.042 0.000 0.936 477 K CA 0.653 56.891 56.287 -0.082 0.000 0.890 477 K CB -1.675 30.684 32.500 -0.235 0.000 1.617 477 K HN 1.157 nan 8.250 nan 0.000 0.437 478 G N 0.813 109.655 108.800 0.070 0.000 2.382 478 G HA2 -0.390 3.570 3.960 0.000 0.000 0.259 478 G HA3 -0.390 3.570 3.960 0.000 0.000 0.259 478 G C 0.005 174.962 174.900 0.094 0.000 1.009 478 G CA 0.862 46.015 45.100 0.089 0.000 0.625 478 G HN 0.606 nan 8.290 nan 0.000 0.541 479 E N 0.998 121.271 120.200 0.121 0.000 1.932 479 E HA 0.390 4.740 4.350 0.000 0.000 0.275 479 E C 0.355 177.019 176.600 0.108 0.000 1.159 479 E CA -0.490 55.983 56.400 0.122 0.000 0.905 479 E CB 1.147 30.949 29.700 0.170 0.000 1.059 479 E HN 0.173 nan 8.360 nan 0.000 0.400 480 V N 4.850 124.812 119.914 0.079 0.000 2.399 480 V HA -0.034 4.086 4.120 0.000 0.000 0.245 480 V C 0.223 176.347 176.094 0.049 0.000 1.089 480 V CA 0.334 62.673 62.300 0.064 0.000 1.196 480 V CB -0.296 31.562 31.823 0.058 0.000 1.221 480 V HN 0.331 nan 8.190 nan 0.000 0.482 481 V N 3.778 123.722 119.914 0.051 0.000 2.715 481 V HA 0.397 4.517 4.120 0.000 0.000 0.310 481 V C 0.839 176.948 176.094 0.024 0.000 1.054 481 V CA -0.580 61.735 62.300 0.024 0.000 0.928 481 V CB 2.304 34.125 31.823 -0.003 0.000 1.007 481 V HN 0.747 nan 8.190 nan 0.000 0.437 482 D N 3.999 124.406 120.400 0.011 0.000 2.348 482 D HA 0.149 4.789 4.640 0.000 0.000 0.248 482 D C 0.238 176.547 176.300 0.015 0.000 1.142 482 D CA 0.614 54.624 54.000 0.017 0.000 0.904 482 D CB 0.450 41.258 40.800 0.013 0.000 0.901 482 D HN 0.558 nan 8.370 nan 0.000 0.523 483 A N 0.819 123.638 122.820 -0.003 0.000 2.356 483 A HA 0.546 4.866 4.320 0.000 0.000 0.310 483 A C -0.710 176.855 177.584 -0.032 0.000 1.075 483 A CA -0.574 51.444 52.037 -0.032 0.000 0.746 483 A CB 1.553 20.490 19.000 -0.104 0.000 1.221 483 A HN -0.008 nan 8.150 nan 0.000 0.443 484 I N 3.778 124.333 120.570 -0.025 0.000 2.411 484 I HA 0.320 4.490 4.170 0.000 0.000 0.284 484 I C -0.111 175.903 176.117 -0.172 0.000 1.012 484 I CA -0.712 60.520 61.300 -0.112 0.000 1.119 484 I CB 1.190 39.028 38.000 -0.270 0.000 1.261 484 I HN 0.461 nan 8.210 nan 0.000 0.448 485 V N 6.083 125.921 119.914 -0.127 0.000 2.250 485 V HA 0.424 4.544 4.120 0.000 0.000 0.268 485 V C -2.188 173.909 176.094 0.005 0.000 1.043 485 V CA -1.608 60.638 62.300 -0.090 0.000 0.814 485 V CB 1.085 32.820 31.823 -0.147 0.000 1.072 485 V HN 0.327 nan 8.190 nan 0.000 0.451 486 P HA -0.145 nan 4.420 nan 0.000 0.213 486 P C 1.944 179.256 177.300 0.020 0.000 1.170 486 P CA 2.783 65.855 63.100 -0.048 0.000 0.898 486 P CB 0.227 31.913 31.700 -0.023 0.000 0.787 487 A N -0.679 122.155 122.820 0.023 0.000 2.032 487 A HA -0.208 4.112 4.320 0.000 0.000 0.221 487 A C 2.087 179.694 177.584 0.039 0.000 1.165 487 A CA 2.559 54.611 52.037 0.024 0.000 0.645 487 A CB -1.923 17.086 19.000 0.016 0.000 0.807 487 A HN 0.387 nan 8.150 nan 0.000 0.453 488 T N -3.132 111.464 114.554 0.071 0.000 3.067 488 T HA 0.059 4.409 4.350 0.000 0.000 0.257 488 T C 1.547 176.333 174.700 0.144 0.000 1.105 488 T CA 0.900 63.065 62.100 0.109 0.000 1.104 488 T CB -0.362 68.591 68.868 0.142 0.000 0.925 488 T HN 0.100 nan 8.240 nan 0.000 0.498 489 V N 0.882 120.876 119.914 0.135 0.000 2.490 489 V HA -0.012 4.108 4.120 0.000 0.000 0.250 489 V C 1.578 177.664 176.094 -0.014 0.000 1.061 489 V CA 0.736 63.040 62.300 0.006 0.000 1.064 489 V CB -1.065 30.733 31.823 -0.041 0.000 0.670 489 V HN 0.497 nan 8.190 nan 0.000 0.461 490 M N 0.681 120.287 119.600 0.010 0.000 2.240 490 M HA 0.269 4.749 4.480 0.000 0.000 0.346 490 M C 1.025 177.327 176.300 0.003 0.000 1.236 490 M CA 0.820 56.123 55.300 0.005 0.000 0.986 490 M CB -0.489 32.116 32.600 0.008 0.000 1.786 490 M HN 0.510 nan 8.290 nan 0.000 0.457 491 A N 3.740 126.560 122.820 -0.000 0.000 2.799 491 A HA -0.237 4.083 4.320 0.000 0.000 0.274 491 A C 0.540 178.120 177.584 -0.006 0.000 1.393 491 A CA 1.633 53.669 52.037 -0.001 0.000 0.909 491 A CB -2.428 16.573 19.000 0.002 0.000 1.012 491 A HN 0.911 nan 8.150 nan 0.000 0.653 492 N N -0.336 118.353 118.700 -0.017 0.000 2.351 492 N HA 0.130 4.870 4.740 0.000 0.000 0.254 492 N C -0.608 174.875 175.510 -0.046 0.000 1.241 492 N CA 0.081 53.114 53.050 -0.028 0.000 0.883 492 N CB 0.641 39.111 38.487 -0.027 0.000 1.202 492 N HN 0.625 nan 8.380 nan 0.000 0.512 493 Q N 0.764 120.544 119.800 -0.032 0.000 2.263 493 Q HA 0.201 4.541 4.340 0.000 0.000 0.262 493 Q C -0.238 175.756 176.000 -0.011 0.000 0.984 493 Q CA -0.308 55.478 55.803 -0.029 0.000 0.813 493 Q CB 2.111 30.827 28.738 -0.037 0.000 1.299 493 Q HN 0.190 nan 8.270 nan 0.000 0.428 494 T N -1.779 112.770 114.554 -0.009 0.000 2.899 494 T HA 0.343 4.693 4.350 0.000 0.000 0.284 494 T C 1.232 175.935 174.700 0.005 0.000 1.004 494 T CA -0.347 61.751 62.100 -0.002 0.000 1.043 494 T CB 1.096 69.961 68.868 -0.005 0.000 1.013 494 T HN 0.331 nan 8.240 nan 0.000 0.518 495 S N 0.384 116.089 115.700 0.007 0.000 2.370 495 S HA -0.135 4.335 4.470 0.000 0.000 0.226 495 S C 1.992 176.605 174.600 0.021 0.000 1.033 495 S CA 0.946 59.154 58.200 0.013 0.000 1.011 495 S CB -0.473 62.733 63.200 0.009 0.000 0.852 495 S HN 0.793 nan 8.310 nan 0.000 0.457 496 E N 1.159 121.369 120.200 0.016 0.000 2.097 496 E HA -0.206 4.144 4.350 0.000 0.000 0.196 496 E C 1.986 178.607 176.600 0.034 0.000 1.000 496 E CA 1.282 57.695 56.400 0.022 0.000 0.804 496 E CB -0.164 29.541 29.700 0.008 0.000 0.740 496 E HN 0.620 nan 8.360 nan 0.000 0.454 497 E N -0.404 119.810 120.200 0.023 0.000 2.047 497 E HA -0.130 4.220 4.350 0.000 0.000 0.191 497 E C 2.263 178.898 176.600 0.057 0.000 0.987 497 E CA 1.231 57.647 56.400 0.028 0.000 0.799 497 E CB 0.076 29.778 29.700 0.003 0.000 0.752 497 E HN 0.062 nan 8.360 nan 0.000 0.449 498 V N 1.690 121.631 119.914 0.045 0.000 2.231 498 V HA -0.343 3.777 4.120 0.000 0.000 0.248 498 V C 2.411 178.566 176.094 0.102 0.000 1.054 498 V CA 2.047 64.381 62.300 0.057 0.000 1.015 498 V CB -1.041 30.803 31.823 0.036 0.000 0.638 498 V HN 0.342 nan 8.190 nan 0.000 0.444 499 A N 1.027 123.904 122.820 0.095 0.000 1.892 499 A HA -0.279 4.041 4.320 0.000 0.000 0.218 499 A C 2.576 180.319 177.584 0.265 0.000 1.188 499 A CA 2.942 55.055 52.037 0.127 0.000 0.631 499 A CB -0.995 18.054 19.000 0.081 0.000 0.822 499 A HN 0.757 nan 8.150 nan 0.000 0.447 500 S N 0.470 116.320 115.700 0.249 0.000 2.368 500 S HA 0.190 4.660 4.470 0.000 0.000 0.225 500 S C 1.294 176.179 174.600 0.474 0.000 1.030 500 S CA 0.652 59.045 58.200 0.322 0.000 0.999 500 S CB -1.178 62.083 63.200 0.101 0.000 0.844 500 S HN 1.336 nan 8.310 nan 0.000 0.459 501 A N 2.156 125.176 122.820 0.334 0.000 2.587 501 A HA 0.334 4.654 4.320 0.000 0.000 0.233 501 A C 0.457 178.225 177.584 0.307 0.000 1.049 501 A CA -0.138 52.076 52.037 0.295 0.000 0.754 501 A CB -0.483 18.609 19.000 0.154 0.000 0.977 501 A HN 0.606 nan 8.150 nan 0.000 0.509 502 L N 1.868 123.157 121.223 0.110 0.000 2.483 502 L HA 0.095 4.435 4.340 0.000 0.000 0.276 502 L C 1.951 178.868 176.870 0.078 0.000 1.213 502 L CA 0.212 55.021 54.840 -0.051 0.000 0.843 502 L CB 0.216 42.116 42.059 -0.264 0.000 1.107 502 L HN 0.954 nan 8.230 nan 0.000 0.487 503 A N 2.646 125.530 122.820 0.106 0.000 1.971 503 A HA -0.263 4.057 4.320 0.000 0.000 0.222 503 A C 1.810 179.421 177.584 0.045 0.000 1.182 503 A CA 2.208 54.290 52.037 0.075 0.000 0.649 503 A CB -0.685 18.349 19.000 0.056 0.000 0.818 503 A HN 0.940 nan 8.150 nan 0.000 0.458 504 N N 0.567 119.281 118.700 0.023 0.000 2.535 504 N HA -0.063 4.677 4.740 0.000 0.000 0.203 504 N C -0.958 174.577 175.510 0.042 0.000 1.301 504 N CA 0.393 53.460 53.050 0.028 0.000 0.859 504 N CB -0.340 38.148 38.487 0.003 0.000 1.055 504 N HN 0.461 nan 8.380 nan 0.000 0.457 505 D N -0.508 119.918 120.400 0.044 0.000 2.502 505 D HA 0.256 4.896 4.640 0.000 0.000 0.249 505 D C 0.845 177.158 176.300 0.022 0.000 1.092 505 D CA -0.295 53.725 54.000 0.034 0.000 0.839 505 D CB 2.148 42.963 40.800 0.025 0.000 1.264 505 D HN 0.108 nan 8.370 nan 0.000 0.511 506 A N 4.853 127.676 122.820 0.005 0.000 1.941 506 A HA -0.313 4.007 4.320 0.000 0.000 0.233 506 A C 2.181 179.735 177.584 -0.050 0.000 1.649 506 A CA 2.450 54.460 52.037 -0.046 0.000 0.726 506 A CB -1.016 17.956 19.000 -0.047 0.000 0.843 506 A HN 0.788 nan 8.150 nan 0.000 0.511 507 I N -0.095 120.447 120.570 -0.047 0.000 2.103 507 I HA -0.327 3.843 4.170 0.000 0.000 0.241 507 I C 2.429 178.555 176.117 0.015 0.000 1.036 507 I CA 2.911 64.200 61.300 -0.019 0.000 1.300 507 I CB -2.324 35.666 38.000 -0.016 0.000 1.010 507 I HN 0.561 nan 8.210 nan 0.000 0.406 508 V N -0.347 119.582 119.914 0.025 0.000 2.667 508 V HA -0.108 4.012 4.120 0.000 0.000 0.252 508 V C 2.659 178.757 176.094 0.007 0.000 1.065 508 V CA 1.165 63.478 62.300 0.022 0.000 1.083 508 V CB -1.110 30.728 31.823 0.025 0.000 0.692 508 V HN 0.429 nan 8.190 nan 0.000 0.468 509 L N 0.193 121.446 121.223 0.049 0.000 2.046 509 L HA -0.084 4.256 4.340 0.000 0.000 0.208 509 L C 2.677 179.567 176.870 0.033 0.000 1.077 509 L CA 1.494 56.388 54.840 0.090 0.000 0.747 509 L CB -0.822 41.435 42.059 0.330 0.000 0.896 509 L HN 0.244 nan 8.230 nan 0.000 0.432 510 V N -1.280 118.749 119.914 0.191 0.000 2.270 510 V HA -0.280 3.840 4.120 0.000 0.000 0.245 510 V C 2.670 178.837 176.094 0.123 0.000 1.043 510 V CA 2.005 64.456 62.300 0.252 0.000 1.014 510 V CB -0.609 31.292 31.823 0.131 0.000 0.645 510 V HN 0.408 nan 8.190 nan 0.000 0.447 511 S N 0.388 116.127 115.700 0.064 0.000 2.374 511 S HA -0.270 4.200 4.470 0.000 0.000 0.227 511 S C 1.905 176.512 174.600 0.011 0.000 1.037 511 S CA 2.213 60.451 58.200 0.062 0.000 1.024 511 S CB -0.539 62.688 63.200 0.045 0.000 0.861 511 S HN 0.675 nan 8.310 nan 0.000 0.456 512 N N 0.579 119.219 118.700 -0.100 0.000 2.104 512 N HA -0.091 4.649 4.740 0.000 0.000 0.190 512 N C 1.449 176.879 175.510 -0.134 0.000 1.024 512 N CA 1.865 54.819 53.050 -0.160 0.000 0.853 512 N CB -0.585 37.745 38.487 -0.261 0.000 1.008 512 N HN 0.654 nan 8.380 nan 0.000 0.424 513 H N -0.120 119.010 119.070 0.099 0.000 2.321 513 H HA 0.015 4.571 4.556 0.000 0.000 0.300 513 H C 1.899 177.291 175.328 0.106 0.000 1.087 513 H CA 0.935 57.030 56.048 0.078 0.000 1.319 513 H CB -0.158 29.655 29.762 0.084 0.000 1.379 513 H HN 0.087 nan 8.280 nan 0.000 0.501 514 L N 0.549 121.906 121.223 0.224 0.000 2.189 514 L HA -0.233 4.107 4.340 0.000 0.000 0.214 514 L C 1.741 178.774 176.870 0.271 0.000 1.097 514 L CA 1.169 56.169 54.840 0.267 0.000 0.764 514 L CB -0.322 41.922 42.059 0.309 0.000 0.900 514 L HN 0.355 nan 8.230 nan 0.000 0.436 515 N N -0.181 118.607 118.700 0.147 0.000 2.188 515 N HA -0.138 4.602 4.740 0.000 0.000 0.184 515 N C 1.672 177.231 175.510 0.082 0.000 1.018 515 N CA 0.938 54.036 53.050 0.080 0.000 0.858 515 N CB -0.010 38.494 38.487 0.029 0.000 0.989 515 N HN 0.286 nan 8.380 nan 0.000 0.426 516 K N 0.284 120.743 120.400 0.098 0.000 2.057 516 K HA -0.096 4.224 4.320 0.000 0.000 0.207 516 K C 1.809 178.469 176.600 0.100 0.000 1.049 516 K CA 0.736 57.076 56.287 0.089 0.000 0.931 516 K CB -0.306 32.250 32.500 0.093 0.000 0.714 516 K HN 0.089 nan 8.250 nan 0.000 0.440 517 L N 1.552 122.857 121.223 0.137 0.000 1.989 517 L HA -0.212 4.128 4.340 0.000 0.000 0.211 517 L C 2.344 179.322 176.870 0.181 0.000 1.071 517 L CA 2.011 56.942 54.840 0.152 0.000 0.749 517 L CB -0.726 41.442 42.059 0.182 0.000 0.890 517 L HN 0.175 nan 8.230 nan 0.000 0.431 518 A N -0.579 122.377 122.820 0.225 0.000 1.917 518 A HA -0.343 3.977 4.320 0.000 0.000 0.219 518 A C 2.186 179.808 177.584 0.063 0.000 1.182 518 A CA 2.279 54.398 52.037 0.136 0.000 0.633 518 A CB -1.220 17.772 19.000 -0.014 0.000 0.819 518 A HN 0.684 nan 8.150 nan 0.000 0.448 519 N N -0.534 118.197 118.700 0.052 0.000 2.069 519 N HA -0.150 4.590 4.740 0.000 0.000 0.191 519 N C 1.512 177.045 175.510 0.039 0.000 1.031 519 N CA 1.790 54.861 53.050 0.034 0.000 0.852 519 N CB -0.238 38.268 38.487 0.032 0.000 1.018 519 N HN 0.202 nan 8.380 nan 0.000 0.423 520 V N -0.126 119.820 119.914 0.053 0.000 2.261 520 V HA -0.229 3.891 4.120 0.000 0.000 0.246 520 V C 2.190 178.316 176.094 0.052 0.000 1.047 520 V CA 1.645 63.975 62.300 0.050 0.000 1.015 520 V CB -0.565 31.292 31.823 0.056 0.000 0.642 520 V HN 0.219 nan 8.190 nan 0.000 0.446 521 V N 0.989 120.946 119.914 0.071 0.000 2.295 521 V HA -0.164 3.956 4.120 0.000 0.000 0.246 521 V C 2.636 178.764 176.094 0.057 0.000 1.049 521 V CA 2.171 64.517 62.300 0.076 0.000 1.024 521 V CB -1.696 30.196 31.823 0.114 0.000 0.648 521 V HN 0.579 nan 8.190 nan 0.000 0.447 522 G N -0.727 108.100 108.800 0.044 0.000 2.408 522 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 522 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 522 G C 1.343 176.257 174.900 0.023 0.000 1.150 522 G CA 0.886 46.003 45.100 0.028 0.000 0.776 522 G HN 0.495 nan 8.290 nan 0.000 0.542 523 D N 0.330 120.744 120.400 0.024 0.000 2.194 523 D HA 0.079 4.719 4.640 0.000 0.000 0.204 523 D C 2.599 178.912 176.300 0.022 0.000 0.964 523 D CA 1.048 55.060 54.000 0.020 0.000 0.846 523 D CB 0.267 41.078 40.800 0.018 0.000 0.962 523 D HN 0.350 nan 8.370 nan 0.000 0.490 524 A N -0.077 122.760 122.820 0.028 0.000 1.993 524 A HA 0.175 4.495 4.320 0.000 0.000 0.207 524 A C 0.923 178.527 177.584 0.033 0.000 1.224 524 A CA 0.082 52.136 52.037 0.029 0.000 0.749 524 A CB 0.440 19.457 19.000 0.029 0.000 0.884 524 A HN 0.015 nan 8.150 nan 0.000 0.467 525 I N 1.317 121.911 120.570 0.041 0.000 2.392 525 I HA 0.315 4.485 4.170 0.000 0.000 0.295 525 I C -2.216 173.928 176.117 0.044 0.000 0.985 525 I CA -2.280 59.048 61.300 0.047 0.000 1.221 525 I CB 1.803 39.839 38.000 0.060 0.000 1.366 525 I HN 0.039 nan 8.210 nan 0.000 0.467 526 P HA 0.052 nan 4.420 nan 0.000 0.231 526 P C 0.340 177.666 177.300 0.043 0.000 1.811 526 P CA -0.008 63.114 63.100 0.036 0.000 1.051 526 P CB -0.031 31.686 31.700 0.028 0.000 1.951 527 V N -1.038 118.904 119.914 0.047 0.000 3.252 527 V HA 0.491 4.611 4.120 0.000 0.000 0.350 527 V C 0.947 177.062 176.094 0.034 0.000 1.329 527 V CA -0.294 62.036 62.300 0.050 0.000 1.258 527 V CB -0.719 31.144 31.823 0.066 0.000 1.208 527 V HN 0.240 nan 8.190 nan 0.000 0.462 528 A N 0.564 123.400 122.820 0.027 0.000 2.645 528 A HA 0.453 4.773 4.320 0.000 0.000 0.245 528 A C 1.276 178.869 177.584 0.016 0.000 1.758 528 A CA 0.343 52.390 52.037 0.018 0.000 0.850 528 A CB -0.549 18.460 19.000 0.015 0.000 1.656 528 A HN 0.500 nan 8.150 nan 0.000 0.641 529 S N 1.276 116.982 115.700 0.011 0.000 3.737 529 S HA 0.164 4.634 4.470 0.000 0.000 0.182 529 S C 0.542 175.149 174.600 0.012 0.000 1.072 529 S CA 0.935 59.141 58.200 0.010 0.000 1.014 529 S CB -1.125 62.078 63.200 0.006 0.000 1.471 529 S HN 0.766 nan 8.310 nan 0.000 0.447 530 R N -2.216 118.295 120.500 0.018 0.000 2.830 530 R HA -0.117 4.223 4.340 0.000 0.000 0.497 530 R C -0.503 175.810 176.300 0.022 0.000 0.768 530 R CA 0.540 56.652 56.100 0.021 0.000 1.182 530 R CB -3.016 27.294 30.300 0.016 0.000 1.987 530 R HN 0.462 nan 8.270 nan 0.000 0.423 531 T N -0.443 114.125 114.554 0.023 0.000 2.978 531 T HA 0.255 4.605 4.350 0.000 0.000 0.278 531 T C -0.093 174.627 174.700 0.034 0.000 0.945 531 T CA -0.208 61.904 62.100 0.020 0.000 1.070 531 T CB 1.172 70.050 68.868 0.016 0.000 0.948 531 T HN 0.184 nan 8.240 nan 0.000 0.617 532 D N 2.897 123.312 120.400 0.026 0.000 2.344 532 D HA 0.219 4.859 4.640 0.000 0.000 0.253 532 D C -0.537 175.759 176.300 -0.007 0.000 1.255 532 D CA -0.165 53.859 54.000 0.040 0.000 0.894 532 D CB 0.643 41.453 40.800 0.016 0.000 1.067 532 D HN 0.666 nan 8.370 nan 0.000 0.492 533 D N 0.905 121.332 120.400 0.046 0.000 2.217 533 D HA 0.142 4.782 4.640 0.000 0.000 0.243 533 D C 1.314 177.669 176.300 0.091 0.000 1.054 533 D CA -0.476 53.545 54.000 0.034 0.000 0.838 533 D CB 1.220 42.041 40.800 0.034 0.000 1.162 533 D HN 0.193 nan 8.370 nan 0.000 0.472 534 S N 3.010 118.713 115.700 0.005 0.000 2.432 534 S HA -0.383 4.087 4.470 0.000 0.000 0.243 534 S C 2.122 176.858 174.600 0.227 0.000 1.069 534 S CA 1.395 59.658 58.200 0.104 0.000 1.047 534 S CB -0.756 62.461 63.200 0.029 0.000 0.854 534 S HN 0.589 nan 8.310 nan 0.000 0.474 535 A N 2.172 125.084 122.820 0.153 0.000 1.971 535 A HA -0.168 4.152 4.320 0.000 0.000 0.222 535 A C 2.542 180.235 177.584 0.181 0.000 1.182 535 A CA 2.591 54.715 52.037 0.146 0.000 0.649 535 A CB -2.030 17.031 19.000 0.102 0.000 0.818 535 A HN 1.065 nan 8.150 nan 0.000 0.458 536 T N -1.418 113.292 114.554 0.259 0.000 3.155 536 T HA -0.007 4.343 4.350 0.000 0.000 0.264 536 T C 1.476 176.267 174.700 0.152 0.000 1.160 536 T CA 1.205 63.447 62.100 0.237 0.000 1.075 536 T CB -0.764 68.292 68.868 0.313 0.000 0.921 536 T HN 0.603 nan 8.240 nan 0.000 0.533 537 S N 1.269 117.125 115.700 0.260 0.000 2.469 537 S HA 0.118 4.588 4.470 0.000 0.000 0.238 537 S C 2.307 176.844 174.600 -0.105 0.000 0.998 537 S CA 0.473 58.727 58.200 0.091 0.000 0.957 537 S CB -0.578 62.825 63.200 0.339 0.000 0.764 537 S HN 0.740 nan 8.310 nan 0.000 0.514 538 A N 3.146 125.940 122.820 -0.044 0.000 1.873 538 A HA 0.063 4.383 4.320 0.000 0.000 0.215 538 A C 2.256 179.778 177.584 -0.103 0.000 1.186 538 A CA 1.341 53.348 52.037 -0.051 0.000 0.616 538 A CB -0.852 18.138 19.000 -0.017 0.000 0.823 538 A HN 0.692 nan 8.150 nan 0.000 0.442 539 I N -1.761 118.733 120.570 -0.126 0.000 2.315 539 I HA -0.128 4.042 4.170 0.000 0.000 0.248 539 I C 1.877 177.852 176.117 -0.236 0.000 1.117 539 I CA 1.583 62.790 61.300 -0.155 0.000 1.404 539 I CB -0.796 37.133 38.000 -0.118 0.000 1.071 539 I HN 0.070 nan 8.210 nan 0.000 0.419 540 V N 1.568 121.245 119.914 -0.394 0.000 2.453 540 V HA -0.175 3.945 4.120 0.000 0.000 0.247 540 V C 2.750 178.628 176.094 -0.360 0.000 1.048 540 V CA 2.053 64.027 62.300 -0.542 0.000 1.049 540 V CB -0.826 30.288 31.823 -1.181 0.000 0.672 540 V HN 0.449 nan 8.190 nan 0.000 0.457 541 S N 0.067 115.615 115.700 -0.254 0.000 2.382 541 S HA -0.232 4.238 4.470 0.000 0.000 0.228 541 S C 2.136 176.685 174.600 -0.085 0.000 1.027 541 S CA 1.609 59.740 58.200 -0.114 0.000 0.991 541 S CB -0.358 62.806 63.200 -0.061 0.000 0.823 541 S HN 0.420 nan 8.310 nan 0.000 0.469 542 R N 1.343 121.786 120.500 -0.096 0.000 2.075 542 R HA 0.159 4.499 4.340 0.000 0.000 0.232 542 R C 2.102 178.359 176.300 -0.072 0.000 1.126 542 R CA 1.105 57.163 56.100 -0.071 0.000 0.963 542 R CB -0.919 29.339 30.300 -0.070 0.000 0.858 542 R HN 0.387 nan 8.270 nan 0.000 0.435 543 L N -0.458 120.701 121.223 -0.108 0.000 2.042 543 L HA -0.171 4.169 4.340 0.000 0.000 0.210 543 L C 2.330 179.160 176.870 -0.066 0.000 1.076 543 L CA 1.512 56.294 54.840 -0.097 0.000 0.749 543 L CB -0.537 41.428 42.059 -0.156 0.000 0.893 543 L HN 0.298 nan 8.230 nan 0.000 0.432 544 A N -0.607 122.144 122.820 -0.115 0.000 1.933 544 A HA -0.153 4.167 4.320 0.000 0.000 0.218 544 A C 2.189 179.766 177.584 -0.012 0.000 1.175 544 A CA 1.948 53.933 52.037 -0.087 0.000 0.628 544 A CB -0.697 18.217 19.000 -0.143 0.000 0.814 544 A HN 0.263 nan 8.150 nan 0.000 0.444 545 V N -0.466 119.438 119.914 -0.016 0.000 2.591 545 V HA -0.227 3.893 4.120 0.000 0.000 0.249 545 V C 2.409 178.493 176.094 -0.017 0.000 1.053 545 V CA 1.714 64.009 62.300 -0.009 0.000 1.068 545 V CB -1.019 30.801 31.823 -0.004 0.000 0.689 545 V HN 0.597 nan 8.190 nan 0.000 0.462 546 Q N -0.192 119.602 119.800 -0.011 0.000 2.181 546 Q HA -0.238 4.102 4.340 0.000 0.000 0.205 546 Q C 1.948 177.948 176.000 0.000 0.000 0.980 546 Q CA 1.597 57.397 55.803 -0.005 0.000 0.862 546 Q CB -0.291 28.446 28.738 -0.001 0.000 0.905 546 Q HN 0.682 nan 8.270 nan 0.000 0.429 547 H N 0.883 119.926 119.070 -0.045 0.000 2.611 547 H HA 0.091 4.647 4.556 0.000 0.000 0.283 547 H C -0.213 175.100 175.328 -0.025 0.000 1.075 547 H CA 0.453 56.477 56.048 -0.039 0.000 1.184 547 H CB -0.259 29.470 29.762 -0.055 0.000 1.294 547 H HN -0.159 nan 8.280 nan 0.000 0.619 548 K N 0.877 121.131 120.400 -0.243 0.000 2.307 548 K HA 0.138 4.458 4.320 0.000 0.000 0.240 548 K C -0.810 175.676 176.600 -0.190 0.000 1.214 548 K CA -0.303 55.847 56.287 -0.229 0.000 1.149 548 K CB -0.802 31.634 32.500 -0.108 0.000 1.668 548 K HN 0.139 nan 8.250 nan 0.000 0.314 549 L N 1.909 122.955 121.223 -0.295 0.000 2.395 549 L HA 0.183 4.523 4.340 0.000 0.000 0.268 549 L C 0.098 176.896 176.870 -0.119 0.000 1.223 549 L CA 0.237 54.973 54.840 -0.174 0.000 1.093 549 L CB 0.268 42.242 42.059 -0.142 0.000 1.349 549 L HN 0.298 nan 8.230 nan 0.000 0.427 550 S N 1.170 116.820 115.700 -0.083 0.000 2.489 550 S HA 0.679 5.149 4.470 0.000 0.000 0.291 550 S C 0.034 174.614 174.600 -0.035 0.000 1.151 550 S CA -0.579 57.588 58.200 -0.054 0.000 1.082 550 S CB 1.172 64.346 63.200 -0.043 0.000 1.019 550 S HN 0.552 nan 8.310 nan 0.000 0.492 551 Q N 1.337 121.123 119.800 -0.024 0.000 3.182 551 Q HA 0.555 4.896 4.340 0.000 0.000 0.212 551 Q C -0.569 175.424 176.000 -0.012 0.000 1.099 551 Q CA -0.672 55.122 55.803 -0.015 0.000 0.680 551 Q CB 0.030 28.762 28.738 -0.011 0.000 3.554 551 Q HN 0.622 nan 8.270 nan 0.000 0.361 552 V N -1.144 118.765 119.914 -0.007 0.000 2.439 552 V HA 0.847 4.967 4.120 0.000 0.000 0.282 552 V C 0.597 176.690 176.094 -0.003 0.000 1.039 552 V CA 0.412 62.709 62.300 -0.005 0.000 0.913 552 V CB 0.175 31.995 31.823 -0.004 0.000 0.983 552 V HN 0.912 nan 8.190 nan 0.000 0.460 553 G N 3.385 112.183 108.800 -0.002 0.000 2.652 553 G HA2 -0.293 3.667 3.960 0.000 0.000 0.278 553 G HA3 -0.293 3.667 3.960 0.000 0.000 0.278 553 G C 0.372 175.272 174.900 0.001 0.000 1.263 553 G CA 0.558 45.658 45.100 0.000 0.000 0.966 553 G HN 1.345 nan 8.290 nan 0.000 0.544 554 Q N 2.303 122.105 119.800 0.003 0.000 2.534 554 Q HA 0.546 4.886 4.340 0.000 0.000 0.223 554 Q C 0.789 176.791 176.000 0.003 0.000 1.239 554 Q CA 0.478 56.284 55.803 0.005 0.000 0.936 554 Q CB -0.067 28.675 28.738 0.007 0.000 1.457 554 Q HN 1.133 nan 8.270 nan 0.000 0.547 555 A N 2.971 125.790 122.820 -0.001 0.000 2.346 555 A HA 0.083 4.403 4.320 0.000 0.000 0.255 555 A C 0.316 177.900 177.584 0.001 0.000 1.113 555 A CA -0.023 52.009 52.037 -0.008 0.000 0.798 555 A CB 0.308 19.296 19.000 -0.021 0.000 1.073 555 A HN 0.771 nan 8.150 nan 0.000 0.502 556 S N 1.388 117.086 115.700 -0.004 0.000 3.106 556 S HA 0.129 4.599 4.470 0.000 0.000 0.363 556 S C -1.805 172.826 174.600 0.052 0.000 1.191 556 S CA -0.465 57.752 58.200 0.029 0.000 1.191 556 S CB -0.316 62.904 63.200 0.033 0.000 0.884 556 S HN 0.478 nan 8.310 nan 0.000 0.526 557 P HA 0.199 nan 4.420 nan 0.000 0.225 557 P C -0.901 176.443 177.300 0.073 0.000 1.830 557 P CA -0.505 62.629 63.100 0.057 0.000 1.051 557 P CB -0.231 31.492 31.700 0.038 0.000 1.929 558 T N 2.878 117.497 114.554 0.109 0.000 2.794 558 T HA 0.277 4.627 4.350 0.000 0.000 0.304 558 T C -2.264 172.491 174.700 0.091 0.000 0.973 558 T CA -1.591 60.580 62.100 0.119 0.000 0.972 558 T CB -0.211 68.801 68.868 0.241 0.000 0.952 558 T HN 0.159 nan 8.240 nan 0.000 0.509 559 P HA 0.131 nan 4.420 nan 0.000 0.258 559 P C -2.289 175.069 177.300 0.097 0.000 1.187 559 P CA -0.992 62.153 63.100 0.074 0.000 0.767 559 P CB -0.576 31.158 31.700 0.058 0.000 0.770 560 P HA -0.178 nan 4.420 nan 0.000 0.265 560 P C 0.246 177.649 177.300 0.171 0.000 1.151 560 P CA 0.688 63.923 63.100 0.225 0.000 0.755 560 P CB 0.360 32.279 31.700 0.366 0.000 0.756 561 D N 1.390 121.719 120.400 -0.118 0.000 2.347 561 D HA -0.231 4.409 4.640 0.000 0.000 0.208 561 D C 1.236 177.257 176.300 -0.466 0.000 0.994 561 D CA 1.593 55.331 54.000 -0.436 0.000 0.924 561 D CB -0.594 39.861 40.800 -0.574 0.000 0.892 561 D HN 0.551 nan 8.370 nan 0.000 0.471 562 Y N -0.129 120.283 120.300 0.187 0.000 2.242 562 Y HA -0.021 4.529 4.550 0.000 0.000 0.291 562 Y C -0.417 175.693 175.900 0.349 0.000 1.137 562 Y CA 0.472 58.779 58.100 0.344 0.000 1.181 562 Y CB -1.634 36.990 38.460 0.274 0.000 0.989 562 Y HN 0.226 nan 8.280 nan 0.000 0.527 563 P HA -0.050 nan 4.420 nan 0.000 0.212 563 P C 1.665 179.057 177.300 0.154 0.000 1.171 563 P CA 1.122 64.330 63.100 0.179 0.000 0.892 563 P CB -0.015 31.751 31.700 0.110 0.000 0.769 564 L N -0.898 120.369 121.223 0.073 0.000 1.980 564 L HA -0.247 4.093 4.340 0.000 0.000 0.232 564 L C 2.686 179.545 176.870 -0.017 0.000 1.092 564 L CA 1.762 56.608 54.840 0.010 0.000 0.808 564 L CB -1.672 40.368 42.059 -0.031 0.000 0.908 564 L HN -0.093 nan 8.230 nan 0.000 0.442 565 L N -1.731 119.444 121.223 -0.080 0.000 2.141 565 L HA -0.197 4.143 4.340 0.000 0.000 0.209 565 L C 2.272 179.067 176.870 -0.126 0.000 1.094 565 L CA 1.415 56.171 54.840 -0.139 0.000 0.763 565 L CB -0.771 41.157 42.059 -0.219 0.000 0.908 565 L HN 0.378 nan 8.230 nan 0.000 0.437 566 W N 1.205 122.453 121.300 -0.087 0.000 2.335 566 W HA -0.210 4.450 4.660 0.000 0.000 0.311 566 W C 2.696 179.203 176.519 -0.020 0.000 1.213 566 W CA 1.717 59.039 57.345 -0.039 0.000 1.274 566 W CB -0.375 29.079 29.460 -0.009 0.000 1.148 566 W HN 0.154 nan 8.180 nan 0.000 0.498 567 R N -0.483 120.150 120.500 0.222 0.000 2.073 567 R HA -0.105 4.235 4.340 0.000 0.000 0.229 567 R C 2.277 178.619 176.300 0.070 0.000 1.120 567 R CA 1.515 57.701 56.100 0.144 0.000 0.967 567 R CB -0.550 29.810 30.300 0.100 0.000 0.862 567 R HN 0.085 nan 8.270 nan 0.000 0.436 568 R N 0.720 121.234 120.500 0.023 0.000 2.091 568 R HA -0.111 4.229 4.340 0.000 0.000 0.238 568 R C 2.300 178.591 176.300 -0.015 0.000 1.136 568 R CA 1.638 57.732 56.100 -0.009 0.000 0.959 568 R CB -0.446 29.828 30.300 -0.043 0.000 0.856 568 R HN 0.220 nan 8.270 nan 0.000 0.437 569 A N 1.150 123.946 122.820 -0.041 0.000 1.968 569 A HA -0.148 4.172 4.320 0.000 0.000 0.217 569 A C 2.051 179.635 177.584 -0.001 0.000 1.169 569 A CA 1.352 53.351 52.037 -0.063 0.000 0.638 569 A CB -0.249 18.644 19.000 -0.178 0.000 0.812 569 A HN 0.154 nan 8.150 nan 0.000 0.446 570 K N 0.244 120.680 120.400 0.060 0.000 2.032 570 K HA -0.138 4.182 4.320 0.000 0.000 0.209 570 K C 2.096 178.736 176.600 0.067 0.000 1.048 570 K CA 1.751 58.094 56.287 0.093 0.000 0.927 570 K CB -0.319 32.264 32.500 0.139 0.000 0.712 570 K HN 0.420 nan 8.250 nan 0.000 0.441 571 R N -0.289 120.242 120.500 0.052 0.000 2.133 571 R HA -0.207 4.133 4.340 0.000 0.000 0.245 571 R C 2.364 178.687 176.300 0.039 0.000 1.137 571 R CA 1.900 58.023 56.100 0.038 0.000 0.947 571 R CB -0.680 29.636 30.300 0.026 0.000 0.865 571 R HN 0.373 nan 8.270 nan 0.000 0.437 572 A N 0.668 123.510 122.820 0.037 0.000 1.968 572 A HA -0.018 4.302 4.320 0.000 0.000 0.217 572 A C 2.338 179.980 177.584 0.097 0.000 1.169 572 A CA 1.364 53.432 52.037 0.052 0.000 0.638 572 A CB -0.584 18.434 19.000 0.030 0.000 0.812 572 A HN 0.428 nan 8.150 nan 0.000 0.446 573 A N -0.537 122.340 122.820 0.095 0.000 1.892 573 A HA -0.194 4.126 4.320 0.000 0.000 0.218 573 A C 2.483 180.158 177.584 0.152 0.000 1.188 573 A CA 2.348 54.476 52.037 0.152 0.000 0.631 573 A CB -1.113 17.956 19.000 0.115 0.000 0.822 573 A HN 0.517 nan 8.150 nan 0.000 0.447 574 S N -1.378 114.372 115.700 0.083 0.000 2.353 574 S HA -0.209 4.261 4.470 0.000 0.000 0.222 574 S C 2.039 176.643 174.600 0.007 0.000 1.035 574 S CA 2.109 60.331 58.200 0.038 0.000 1.025 574 S CB -0.384 62.836 63.200 0.033 0.000 0.902 574 S HN 0.400 nan 8.310 nan 0.000 0.440 575 M N 0.612 120.227 119.600 0.025 0.000 2.082 575 M HA -0.018 4.462 4.480 0.000 0.000 0.258 575 M C 1.734 178.026 176.300 -0.014 0.000 1.069 575 M CA 1.374 56.680 55.300 0.011 0.000 1.102 575 M CB -1.161 31.461 32.600 0.037 0.000 1.336 575 M HN 0.481 nan 8.290 nan 0.000 0.404 576 F N 0.237 120.191 119.950 0.006 0.000 2.091 576 F HA -0.215 4.312 4.527 0.000 0.000 0.299 576 F C 2.091 177.898 175.800 0.012 0.000 1.103 576 F CA 1.549 59.554 58.000 0.009 0.000 1.228 576 F CB -0.730 38.276 39.000 0.010 0.000 0.984 576 F HN -0.044 nan 8.300 nan 0.000 0.477 577 V N 0.481 120.085 119.914 -0.516 0.000 2.295 577 V HA -0.320 3.800 4.120 0.000 0.000 0.246 577 V C 2.652 178.563 176.094 -0.304 0.000 1.049 577 V CA 2.138 64.188 62.300 -0.417 0.000 1.024 577 V CB -1.462 30.283 31.823 -0.130 0.000 0.648 577 V HN 0.562 nan 8.190 nan 0.000 0.447 578 S N -0.236 115.348 115.700 -0.194 0.000 2.419 578 S HA -0.133 4.337 4.470 0.000 0.000 0.235 578 S C 1.028 175.545 174.600 -0.138 0.000 1.019 578 S CA 1.384 59.503 58.200 -0.135 0.000 0.982 578 S CB -0.273 62.879 63.200 -0.080 0.000 0.789 578 S HN 0.610 nan 8.310 nan 0.000 0.490 579 N N 0.645 119.234 118.700 -0.185 0.000 2.629 579 N HA 0.335 5.075 4.740 0.000 0.000 0.277 579 N C -2.900 172.477 175.510 -0.221 0.000 1.188 579 N CA -1.635 51.318 53.050 -0.163 0.000 0.835 579 N CB 1.781 40.220 38.487 -0.080 0.000 1.420 579 N HN -0.183 nan 8.380 nan 0.000 0.542 580 P HA -0.167 nan 4.420 nan 0.000 0.216 580 P C 1.409 178.772 177.300 0.105 0.000 1.150 580 P CA 1.522 64.506 63.100 -0.194 0.000 0.843 580 P CB 0.255 31.900 31.700 -0.091 0.000 0.787 581 S N -0.561 115.164 115.700 0.042 0.000 2.420 581 S HA -0.182 4.288 4.470 0.000 0.000 0.237 581 S C 1.886 176.533 174.600 0.078 0.000 1.023 581 S CA 1.133 59.372 58.200 0.064 0.000 0.991 581 S CB -1.819 61.399 63.200 0.030 0.000 0.792 581 S HN 0.100 nan 8.310 nan 0.000 0.488 582 L N 1.326 122.595 121.223 0.076 0.000 2.197 582 L HA -0.188 4.152 4.340 0.000 0.000 0.215 582 L C 3.060 179.999 176.870 0.114 0.000 1.095 582 L CA 1.133 56.024 54.840 0.085 0.000 0.764 582 L CB -0.909 41.195 42.059 0.075 0.000 0.897 582 L HN 0.509 nan 8.230 nan 0.000 0.436 583 A N -0.073 122.855 122.820 0.181 0.000 1.972 583 A HA -0.130 4.190 4.320 0.000 0.000 0.219 583 A C 2.140 179.764 177.584 0.066 0.000 1.169 583 A CA 1.501 53.619 52.037 0.135 0.000 0.635 583 A CB -0.464 18.624 19.000 0.147 0.000 0.810 583 A HN 0.450 nan 8.150 nan 0.000 0.446 584 L N -1.142 120.121 121.223 0.067 0.000 2.529 584 L HA 0.080 4.420 4.340 0.000 0.000 0.223 584 L C 0.585 177.467 176.870 0.020 0.000 1.113 584 L CA 0.012 54.872 54.840 0.033 0.000 0.861 584 L CB -0.043 42.033 42.059 0.028 0.000 1.012 584 L HN 0.331 nan 8.230 nan 0.000 0.461 585 Q N 0.845 120.663 119.800 0.030 0.000 2.314 585 Q HA 0.232 4.572 4.340 0.000 0.000 0.257 585 Q C -0.156 175.854 176.000 0.016 0.000 0.975 585 Q CA -0.413 55.402 55.803 0.020 0.000 0.933 585 Q CB 2.177 30.928 28.738 0.021 0.000 1.195 585 Q HN -0.055 nan 8.270 nan 0.000 0.426 586 V N 3.163 123.081 119.914 0.007 0.000 2.992 586 V HA -0.115 4.005 4.120 0.000 0.000 0.294 586 V C 1.178 177.275 176.094 0.006 0.000 1.254 586 V CA 2.187 64.490 62.300 0.004 0.000 1.359 586 V CB 0.092 31.914 31.823 -0.001 0.000 0.914 586 V HN 1.087 nan 8.190 nan 0.000 0.519 587 G N 5.644 114.447 108.800 0.005 0.000 2.338 587 G HA2 -0.207 3.753 3.960 0.000 0.000 0.296 587 G HA3 -0.207 3.753 3.960 0.000 0.000 0.296 587 G C -0.240 174.664 174.900 0.007 0.000 1.040 587 G CA 0.287 45.389 45.100 0.004 0.000 1.004 587 G HN 0.639 nan 8.290 nan 0.000 0.509 588 I N 0.066 120.642 120.570 0.011 0.000 2.321 588 I HA 0.200 4.370 4.170 0.000 0.000 0.291 588 I C -0.411 175.712 176.117 0.010 0.000 0.998 588 I CA -2.331 58.978 61.300 0.016 0.000 1.227 588 I CB 1.135 39.152 38.000 0.029 0.000 1.368 588 I HN -0.086 nan 8.210 nan 0.000 0.466 589 P HA -0.247 nan 4.420 nan 0.000 0.212 589 P C 1.505 178.802 177.300 -0.005 0.000 1.128 589 P CA 1.966 65.065 63.100 -0.001 0.000 0.961 589 P CB 0.205 31.902 31.700 -0.005 0.000 0.782 590 V N -5.126 114.783 119.914 -0.008 0.000 3.523 590 V HA 0.136 4.256 4.120 0.000 0.000 0.255 590 V C 2.064 178.147 176.094 -0.018 0.000 1.226 590 V CA 0.558 62.847 62.300 -0.017 0.000 1.092 590 V CB -1.248 30.556 31.823 -0.032 0.000 0.817 590 V HN -0.027 nan 8.190 nan 0.000 0.458 591 L N 2.058 123.277 121.223 -0.006 0.000 2.201 591 L HA -0.080 4.260 4.340 0.000 0.000 0.212 591 L C 2.919 179.782 176.870 -0.012 0.000 1.105 591 L CA 1.845 56.679 54.840 -0.011 0.000 0.775 591 L CB -1.156 40.913 42.059 0.017 0.000 0.913 591 L HN 0.585 nan 8.230 nan 0.000 0.440 592 T N -3.110 111.442 114.554 -0.003 0.000 2.792 592 T HA -0.300 4.050 4.350 0.000 0.000 0.268 592 T C 1.263 175.957 174.700 -0.010 0.000 1.059 592 T CA 0.973 63.071 62.100 -0.003 0.000 1.136 592 T CB -0.358 68.510 68.868 -0.000 0.000 0.846 592 T HN 0.162 nan 8.240 nan 0.000 0.489 593 Q N 2.181 121.971 119.800 -0.017 0.000 2.423 593 Q HA 0.259 4.599 4.340 0.000 0.000 0.235 593 Q C 1.417 177.398 176.000 -0.032 0.000 1.100 593 Q CA 0.178 55.968 55.803 -0.021 0.000 0.908 593 Q CB 1.082 29.808 28.738 -0.020 0.000 1.312 593 Q HN 0.656 nan 8.270 nan 0.000 0.497 594 S N 1.635 117.319 115.700 -0.025 0.000 2.420 594 S HA -0.193 4.277 4.470 0.000 0.000 0.237 594 S C 1.687 176.265 174.600 -0.036 0.000 1.023 594 S CA 1.243 59.425 58.200 -0.030 0.000 0.991 594 S CB -0.311 62.880 63.200 -0.015 0.000 0.792 594 S HN 0.697 nan 8.310 nan 0.000 0.488 595 G N 2.090 110.872 108.800 -0.032 0.000 2.491 595 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 595 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 595 G C 1.501 176.373 174.900 -0.047 0.000 1.180 595 G CA 1.288 46.368 45.100 -0.033 0.000 0.774 595 G HN 0.580 nan 8.290 nan 0.000 0.562 596 M N -0.543 119.023 119.600 -0.056 0.000 2.279 596 M HA 0.049 4.529 4.480 0.000 0.000 0.264 596 M C 2.413 178.655 176.300 -0.098 0.000 1.062 596 M CA 0.729 55.985 55.300 -0.074 0.000 1.099 596 M CB -0.209 32.347 32.600 -0.074 0.000 1.394 596 M HN 0.214 nan 8.290 nan 0.000 0.426 597 L N -0.329 120.832 121.223 -0.104 0.000 2.162 597 L HA -0.017 4.323 4.340 0.000 0.000 0.205 597 L C 2.469 179.274 176.870 -0.108 0.000 1.086 597 L CA 1.455 56.205 54.840 -0.150 0.000 0.778 597 L CB -0.349 41.610 42.059 -0.166 0.000 0.928 597 L HN 0.134 nan 8.230 nan 0.000 0.446 598 S N -0.055 115.605 115.700 -0.065 0.000 2.359 598 S HA -0.231 4.239 4.470 0.000 0.000 0.224 598 S C 2.145 176.721 174.600 -0.040 0.000 1.035 598 S CA 1.198 59.373 58.200 -0.040 0.000 1.018 598 S CB -0.739 62.446 63.200 -0.025 0.000 0.876 598 S HN 0.574 nan 8.310 nan 0.000 0.448 599 A N 1.350 124.142 122.820 -0.046 0.000 1.940 599 A HA -0.043 4.277 4.320 0.000 0.000 0.219 599 A C 2.148 179.707 177.584 -0.041 0.000 1.176 599 A CA 1.301 53.313 52.037 -0.041 0.000 0.631 599 A CB -0.715 18.255 19.000 -0.050 0.000 0.814 599 A HN 0.464 nan 8.150 nan 0.000 0.446 600 L N -0.843 120.343 121.223 -0.062 0.000 2.005 600 L HA -0.140 4.200 4.340 0.000 0.000 0.207 600 L C 2.733 179.581 176.870 -0.037 0.000 1.072 600 L CA 2.055 56.861 54.840 -0.057 0.000 0.744 600 L CB -0.618 41.377 42.059 -0.106 0.000 0.895 600 L HN 0.423 nan 8.230 nan 0.000 0.433 601 T N -0.246 114.278 114.554 -0.051 0.000 2.597 601 T HA -0.255 4.095 4.350 0.000 0.000 0.267 601 T C 1.999 176.695 174.700 -0.006 0.000 1.053 601 T CA 2.122 64.207 62.100 -0.025 0.000 1.165 601 T CB -0.553 68.297 68.868 -0.030 0.000 0.863 601 T HN 0.654 nan 8.240 nan 0.000 0.427 602 S N 1.564 117.258 115.700 -0.009 0.000 2.343 602 S HA -0.047 4.423 4.470 0.000 0.000 0.219 602 S C 2.458 177.060 174.600 0.004 0.000 1.033 602 S CA 1.341 59.540 58.200 -0.002 0.000 1.014 602 S CB -1.526 61.672 63.200 -0.004 0.000 0.915 602 S HN 0.572 nan 8.310 nan 0.000 0.435 603 G N 1.566 110.367 108.800 0.002 0.000 2.606 603 G HA2 -0.277 3.683 3.960 0.000 0.000 0.221 603 G HA3 -0.277 3.683 3.960 0.000 0.000 0.221 603 G C 1.509 176.422 174.900 0.022 0.000 1.152 603 G CA 1.256 46.363 45.100 0.011 0.000 0.765 603 G HN 0.505 nan 8.290 nan 0.000 0.595 604 V N 1.400 121.327 119.914 0.022 0.000 2.324 604 V HA -0.100 4.020 4.120 0.000 0.000 0.250 604 V C 3.001 179.111 176.094 0.028 0.000 1.060 604 V CA 2.821 65.140 62.300 0.032 0.000 1.042 604 V CB -0.899 30.946 31.823 0.038 0.000 0.650 604 V HN 0.454 nan 8.190 nan 0.000 0.450 605 G N -0.684 108.128 108.800 0.021 0.000 2.421 605 G HA2 -0.326 3.634 3.960 0.000 0.000 0.216 605 G HA3 -0.326 3.634 3.960 0.000 0.000 0.216 605 G C 1.726 176.636 174.900 0.017 0.000 1.171 605 G CA 1.822 46.932 45.100 0.017 0.000 0.775 605 G HN 0.610 nan 8.290 nan 0.000 0.543 606 T N 0.255 114.819 114.554 0.018 0.000 2.665 606 T HA -0.083 4.267 4.350 0.000 0.000 0.268 606 T C 2.569 177.284 174.700 0.025 0.000 1.035 606 T CA 2.171 64.282 62.100 0.020 0.000 1.151 606 T CB -0.672 68.209 68.868 0.021 0.000 0.862 606 T HN 0.450 nan 8.240 nan 0.000 0.438 607 A N 1.495 124.333 122.820 0.030 0.000 1.940 607 A HA 0.092 4.412 4.320 0.000 0.000 0.219 607 A C 2.451 180.054 177.584 0.031 0.000 1.176 607 A CA 1.533 53.591 52.037 0.036 0.000 0.631 607 A CB -0.881 18.147 19.000 0.045 0.000 0.814 607 A HN 0.572 nan 8.150 nan 0.000 0.446 608 L N -1.586 119.653 121.223 0.027 0.000 2.007 608 L HA -0.124 4.216 4.340 0.000 0.000 0.205 608 L C 2.668 179.548 176.870 0.017 0.000 1.073 608 L CA 1.520 56.373 54.840 0.022 0.000 0.744 608 L CB -0.587 41.484 42.059 0.020 0.000 0.898 608 L HN 0.421 nan 8.230 nan 0.000 0.435 609 R N 0.076 120.585 120.500 0.015 0.000 2.206 609 R HA -0.256 4.084 4.340 0.000 0.000 0.240 609 R C 1.610 177.917 176.300 0.013 0.000 1.117 609 R CA 2.700 58.807 56.100 0.012 0.000 0.915 609 R CB -0.538 29.770 30.300 0.012 0.000 0.888 609 R HN 0.508 nan 8.270 nan 0.000 0.432 610 T N -2.592 111.972 114.554 0.016 0.000 3.214 610 T HA 0.324 4.674 4.350 0.000 0.000 0.264 610 T C 0.393 175.105 174.700 0.019 0.000 1.012 610 T CA -0.086 62.024 62.100 0.016 0.000 0.901 610 T CB 0.923 69.800 68.868 0.016 0.000 1.070 610 T HN 0.350 nan 8.240 nan 0.000 0.561 611 G N 1.692 110.505 108.800 0.020 0.000 2.378 611 G HA2 0.412 4.372 3.960 0.000 0.000 0.255 611 G HA3 0.412 4.372 3.960 0.000 0.000 0.255 611 G C 0.187 175.098 174.900 0.018 0.000 1.270 611 G CA -0.617 44.496 45.100 0.022 0.000 0.876 611 G HN 0.499 nan 8.290 nan 0.000 0.521 612 S N 3.356 119.066 115.700 0.018 0.000 3.036 612 S HA 0.251 4.721 4.470 0.000 0.000 0.301 612 S C 0.594 175.204 174.600 0.015 0.000 1.205 612 S CA -0.768 57.441 58.200 0.015 0.000 0.999 612 S CB -0.165 63.044 63.200 0.014 0.000 1.337 612 S HN 0.710 nan 8.310 nan 0.000 0.515 613 L N 1.730 122.962 121.223 0.015 0.000 4.053 613 L HA -0.160 4.180 4.340 0.000 0.000 0.479 613 L C 1.113 177.992 176.870 0.016 0.000 0.886 613 L CA 0.311 55.160 54.840 0.015 0.000 0.766 613 L CB -1.927 40.141 42.059 0.015 0.000 1.153 613 L HN 0.802 nan 8.230 nan 0.000 0.861 614 G N 2.881 111.692 108.800 0.017 0.000 2.305 614 G HA2 0.207 4.167 3.960 0.000 0.000 0.281 614 G HA3 0.207 4.167 3.960 0.000 0.000 0.281 614 G C 0.299 175.208 174.900 0.016 0.000 1.085 614 G CA -0.247 44.864 45.100 0.017 0.000 1.211 614 G HN 0.533 nan 8.290 nan 0.000 0.421 615 K N 2.739 123.147 120.400 0.013 0.000 2.530 615 K HA 0.435 4.755 4.320 0.000 0.000 0.230 615 K C 0.724 177.330 176.600 0.009 0.000 1.002 615 K CA -0.520 55.774 56.287 0.012 0.000 1.014 615 K CB 0.729 33.236 32.500 0.012 0.000 1.286 615 K HN 0.402 nan 8.250 nan 0.000 0.480 616 G N 2.653 111.459 108.800 0.010 0.000 2.138 616 G HA2 -0.097 3.863 3.960 0.000 0.000 0.263 616 G HA3 -0.097 3.863 3.960 0.000 0.000 0.263 616 G C 1.201 176.103 174.900 0.005 0.000 1.103 616 G CA 0.120 45.224 45.100 0.008 0.000 1.014 616 G HN 0.537 nan 8.290 nan 0.000 0.418 617 V N 3.383 123.298 119.914 0.003 0.000 2.277 617 V HA -0.312 3.808 4.120 0.000 0.000 0.253 617 V C 3.198 179.293 176.094 0.001 0.000 1.067 617 V CA 3.625 65.926 62.300 0.001 0.000 1.047 617 V CB -0.821 31.001 31.823 -0.002 0.000 0.649 617 V HN 1.041 nan 8.190 nan 0.000 0.447 618 T N -1.697 112.858 114.554 0.001 0.000 2.570 618 T HA -0.337 4.013 4.350 0.000 0.000 0.266 618 T C 1.691 176.392 174.700 0.002 0.000 1.071 618 T CA 2.119 64.220 62.100 0.001 0.000 1.172 618 T CB -0.939 67.930 68.868 0.001 0.000 0.864 618 T HN 0.586 nan 8.240 nan 0.000 0.421 619 D N 1.834 122.236 120.400 0.003 0.000 2.178 619 D HA 0.031 4.671 4.640 0.000 0.000 0.201 619 D C 2.288 178.590 176.300 0.003 0.000 0.980 619 D CA 1.245 55.247 54.000 0.003 0.000 0.842 619 D CB -0.617 40.186 40.800 0.005 0.000 0.948 619 D HN 0.547 nan 8.370 nan 0.000 0.472 620 A N 0.268 123.090 122.820 0.004 0.000 1.841 620 A HA -0.207 4.113 4.320 0.000 0.000 0.216 620 A C 2.404 179.990 177.584 0.003 0.000 1.199 620 A CA 3.019 55.059 52.037 0.004 0.000 0.621 620 A CB -1.325 17.678 19.000 0.005 0.000 0.835 620 A HN 0.389 nan 8.150 nan 0.000 0.445 621 S N 0.143 115.844 115.700 0.002 0.000 2.380 621 S HA -0.280 4.190 4.470 0.000 0.000 0.229 621 S C 1.643 176.243 174.600 -0.000 0.000 1.043 621 S CA 1.919 60.120 58.200 0.001 0.000 1.038 621 S CB -0.580 62.620 63.200 -0.000 0.000 0.872 621 S HN 0.568 nan 8.310 nan 0.000 0.456 622 E N 1.369 121.569 120.200 -0.000 0.000 2.106 622 E HA 0.009 4.359 4.350 0.000 0.000 0.192 622 E C 2.109 178.708 176.600 -0.001 0.000 0.984 622 E CA 1.059 57.458 56.400 -0.001 0.000 0.806 622 E CB -0.209 29.490 29.700 -0.001 0.000 0.750 622 E HN 0.658 nan 8.360 nan 0.000 0.458 623 K N 0.326 120.726 120.400 -0.000 0.000 2.057 623 K HA -0.130 4.190 4.320 0.000 0.000 0.206 623 K C 2.135 178.735 176.600 0.000 0.000 1.050 623 K CA 0.841 57.128 56.287 0.000 0.000 0.935 623 K CB -0.175 32.326 32.500 0.002 0.000 0.715 623 K HN 0.110 nan 8.250 nan 0.000 0.439 624 L N 1.925 123.148 121.223 0.001 0.000 1.997 624 L HA -0.256 4.084 4.340 0.000 0.000 0.216 624 L C 2.527 179.396 176.870 -0.000 0.000 1.074 624 L CA 1.847 56.688 54.840 0.001 0.000 0.763 624 L CB -0.578 41.481 42.059 0.001 0.000 0.890 624 L HN 0.155 nan 8.230 nan 0.000 0.434 625 R N -0.197 120.302 120.500 -0.001 0.000 2.070 625 R HA -0.155 4.185 4.340 0.000 0.000 0.232 625 R C 2.168 178.465 176.300 -0.004 0.000 1.138 625 R CA 1.683 57.782 56.100 -0.002 0.000 0.936 625 R CB -0.783 29.516 30.300 -0.002 0.000 0.839 625 R HN 0.558 nan 8.270 nan 0.000 0.429 626 A N 1.468 124.285 122.820 -0.005 0.000 1.948 626 A HA -0.193 4.127 4.320 0.000 0.000 0.220 626 A C 2.289 179.867 177.584 -0.009 0.000 1.177 626 A CA 1.641 53.674 52.037 -0.008 0.000 0.636 626 A CB -0.497 18.498 19.000 -0.008 0.000 0.815 626 A HN 0.416 nan 8.150 nan 0.000 0.449 627 R N -0.885 119.612 120.500 -0.005 0.000 2.096 627 R HA -0.156 4.184 4.340 0.000 0.000 0.235 627 R C 2.485 178.783 176.300 -0.002 0.000 1.127 627 R CA 1.661 57.758 56.100 -0.004 0.000 0.968 627 R CB -0.316 29.983 30.300 -0.001 0.000 0.861 627 R HN 0.699 nan 8.270 nan 0.000 0.440 628 Q N 0.131 119.930 119.800 -0.001 0.000 2.016 628 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 628 Q C 2.330 178.329 176.000 -0.002 0.000 0.978 628 Q CA 2.033 57.837 55.803 0.001 0.000 0.833 628 Q CB -0.008 28.731 28.738 0.002 0.000 0.895 628 Q HN 0.385 nan 8.270 nan 0.000 0.427 629 S N 0.751 116.447 115.700 -0.007 0.000 2.400 629 S HA -0.203 4.267 4.470 0.000 0.000 0.232 629 S C 1.906 176.493 174.600 -0.021 0.000 1.025 629 S CA 1.076 59.268 58.200 -0.012 0.000 0.993 629 S CB -0.510 62.682 63.200 -0.013 0.000 0.808 629 S HN 0.295 nan 8.310 nan 0.000 0.478 630 L N 1.993 123.203 121.223 -0.022 0.000 1.989 630 L HA -0.115 4.225 4.340 0.000 0.000 0.211 630 L C 2.679 179.530 176.870 -0.032 0.000 1.071 630 L CA 2.248 57.069 54.840 -0.031 0.000 0.749 630 L CB -1.185 40.858 42.059 -0.026 0.000 0.890 630 L HN 0.327 nan 8.230 nan 0.000 0.431 631 T N -1.022 113.528 114.554 -0.008 0.000 2.635 631 T HA -0.241 4.109 4.350 0.000 0.000 0.267 631 T C 1.898 176.595 174.700 -0.004 0.000 1.040 631 T CA 1.905 64.014 62.100 0.015 0.000 1.156 631 T CB -0.659 68.228 68.868 0.032 0.000 0.863 631 T HN 0.211 nan 8.240 nan 0.000 0.430 632 V N 2.150 122.059 119.914 -0.008 0.000 2.231 632 V HA -0.288 3.832 4.120 0.000 0.000 0.250 632 V C 2.945 179.011 176.094 -0.047 0.000 1.058 632 V CA 2.042 64.333 62.300 -0.015 0.000 1.022 632 V CB -1.448 30.371 31.823 -0.007 0.000 0.640 632 V HN 0.603 nan 8.190 nan 0.000 0.445 633 A N -0.916 121.868 122.820 -0.060 0.000 1.933 633 A HA -0.230 4.090 4.320 0.000 0.000 0.218 633 A C 2.320 179.816 177.584 -0.147 0.000 1.175 633 A CA 1.939 53.926 52.037 -0.082 0.000 0.628 633 A CB -0.470 18.482 19.000 -0.080 0.000 0.814 633 A HN 0.536 nan 8.150 nan 0.000 0.444 634 K N -0.773 119.502 120.400 -0.208 0.000 2.032 634 K HA -0.180 4.140 4.320 0.000 0.000 0.209 634 K C 2.316 178.230 176.600 -1.144 0.000 1.048 634 K CA 1.441 57.451 56.287 -0.462 0.000 0.927 634 K CB -0.250 32.105 32.500 -0.241 0.000 0.712 634 K HN 0.459 nan 8.250 nan 0.000 0.441 635 Q N 0.137 119.630 119.800 -0.513 0.000 2.029 635 Q HA -0.213 4.127 4.340 0.000 0.000 0.209 635 Q C 2.177 178.087 176.000 -0.149 0.000 0.999 635 Q CA 2.032 57.724 55.803 -0.184 0.000 0.857 635 Q CB -0.603 28.174 28.738 0.065 0.000 0.926 635 Q HN 0.360 nan 8.270 nan 0.000 0.415 636 A N 0.476 123.233 122.820 -0.103 0.000 1.948 636 A HA -0.211 4.109 4.320 0.000 0.000 0.220 636 A C 1.932 179.510 177.584 -0.009 0.000 1.177 636 A CA 1.643 53.659 52.037 -0.035 0.000 0.636 636 A CB -0.895 18.097 19.000 -0.014 0.000 0.815 636 A HN 0.424 nan 8.150 nan 0.000 0.449 637 F N 0.262 120.055 119.950 -0.263 0.000 2.075 637 F HA -0.160 4.367 4.527 0.000 0.000 0.297 637 F C 1.836 177.598 175.800 -0.063 0.000 1.113 637 F CA 1.464 59.343 58.000 -0.202 0.000 1.218 637 F CB -0.652 38.163 39.000 -0.307 0.000 0.984 637 F HN 0.204 nan 8.300 nan 0.000 0.472 638 F N 1.471 121.259 119.950 -0.270 0.000 2.126 638 F HA -0.190 4.337 4.527 0.000 0.000 0.299 638 F C 2.393 178.075 175.800 -0.198 0.000 1.096 638 F CA 1.374 59.146 58.000 -0.379 0.000 1.255 638 F CB -1.698 37.199 39.000 -0.172 0.000 0.997 638 F HN 0.043 nan 8.300 nan 0.000 0.479 639 D N -0.061 120.389 120.400 0.083 0.000 2.116 639 D HA -0.213 4.427 4.640 0.000 0.000 0.193 639 D C 2.336 178.666 176.300 0.051 0.000 0.998 639 D CA 1.418 55.455 54.000 0.062 0.000 0.836 639 D CB -0.656 40.177 40.800 0.055 0.000 0.951 639 D HN 0.295 nan 8.370 nan 0.000 0.449 640 Q N 0.699 120.524 119.800 0.043 0.000 2.061 640 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 640 Q C 2.371 178.437 176.000 0.110 0.000 0.984 640 Q CA 1.087 56.934 55.803 0.072 0.000 0.846 640 Q CB -0.438 28.350 28.738 0.083 0.000 0.902 640 Q HN 0.359 nan 8.270 nan 0.000 0.421 641 I N 0.796 121.393 120.570 0.044 0.000 2.226 641 I HA -0.218 3.952 4.170 0.000 0.000 0.245 641 I C 2.493 178.770 176.117 0.266 0.000 1.100 641 I CA 1.235 62.627 61.300 0.153 0.000 1.374 641 I CB -0.745 37.152 38.000 -0.171 0.000 1.057 641 I HN 0.335 nan 8.210 nan 0.000 0.413 642 G N 0.469 109.328 108.800 0.098 0.000 2.469 642 G HA2 -0.349 3.611 3.960 0.000 0.000 0.219 642 G HA3 -0.349 3.611 3.960 0.000 0.000 0.219 642 G C 1.807 176.750 174.900 0.072 0.000 1.150 642 G CA 1.334 46.468 45.100 0.056 0.000 0.763 642 G HN 0.519 nan 8.290 nan 0.000 0.561 643 S N 0.280 116.035 115.700 0.092 0.000 2.368 643 S HA 0.016 4.486 4.470 0.000 0.000 0.225 643 S C 2.359 177.013 174.600 0.090 0.000 1.030 643 S CA 1.313 59.563 58.200 0.083 0.000 0.999 643 S CB -0.363 62.880 63.200 0.071 0.000 0.844 643 S HN 0.271 nan 8.310 nan 0.000 0.459 644 L N -1.173 120.135 121.223 0.143 0.000 2.209 644 L HA 0.310 4.650 4.340 0.000 0.000 0.207 644 L C 1.053 177.826 176.870 -0.162 0.000 1.094 644 L CA 0.425 55.314 54.840 0.082 0.000 0.790 644 L CB 0.098 42.327 42.059 0.285 0.000 0.932 644 L HN 0.598 nan 8.230 nan 0.000 0.447 645 W N 2.382 123.348 121.300 -0.558 0.000 2.409 645 W HA 0.259 4.918 4.660 0.000 0.000 0.285 645 W C -2.543 173.826 176.519 -0.250 0.000 1.030 645 W CA -2.088 54.860 57.345 -0.661 0.000 1.330 645 W CB 1.477 30.164 29.460 -1.288 0.000 1.236 645 W HN -0.231 nan 8.180 nan 0.000 0.341 646 P HA 0.032 nan 4.420 nan 0.000 0.252 646 P C 0.823 177.683 177.300 -0.734 0.000 1.694 646 P CA 0.559 63.561 63.100 -0.163 0.000 1.163 646 P CB -0.268 31.427 31.700 -0.009 0.000 1.934 647 G N 5.087 113.129 108.800 -1.263 0.000 2.209 647 G HA2 0.073 4.033 3.960 0.000 0.000 0.271 647 G HA3 0.073 4.033 3.960 0.000 0.000 0.271 647 G C 0.536 174.973 174.900 -0.771 0.000 1.111 647 G CA -0.226 43.898 45.100 -1.626 0.000 1.092 647 G HN 0.590 nan 8.290 nan 0.000 0.416 648 K N 0.000 120.030 120.400 -0.617 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.136 56.287 -0.252 0.000 0.838 648 K CB 0.000 32.416 32.500 -0.140 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543