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_P 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 -0.150 0.000 1.109 10 T CA 0.000 62.025 62.100 -0.125 0.000 1.349 10 T CB 0.000 68.732 68.868 -0.227 0.000 0.612 11 Y N 2.274 122.600 120.300 0.043 0.000 2.360 11 Y HA 0.672 5.222 4.550 0.000 0.000 0.337 11 Y C 0.276 176.180 175.900 0.005 0.000 1.039 11 Y CA -1.481 56.636 58.100 0.030 0.000 1.109 11 Y CB 0.462 38.949 38.460 0.045 0.000 1.201 11 Y HN 0.773 nan 8.280 nan 0.000 0.458 12 N N 3.767 122.475 118.700 0.013 0.000 2.256 12 N HA -0.142 4.598 4.740 0.000 0.000 0.277 12 N C 0.928 176.467 175.510 0.048 0.000 1.362 12 N CA 0.505 53.553 53.050 -0.004 0.000 0.861 12 N CB 0.342 38.832 38.487 0.005 0.000 1.136 12 N HN 0.879 nan 8.380 nan 0.000 0.492 13 I N 1.111 121.623 120.570 -0.098 0.000 2.493 13 I HA -0.065 4.105 4.170 0.000 0.000 0.254 13 I C 1.290 177.212 176.117 -0.325 0.000 1.160 13 I CA 0.923 62.070 61.300 -0.254 0.000 1.445 13 I CB -0.620 37.051 38.000 -0.547 0.000 1.086 13 I HN 0.549 nan 8.210 nan 0.000 0.433 14 T N -0.536 113.901 114.554 -0.195 0.000 3.624 14 T HA 0.590 4.940 4.350 0.000 0.000 0.231 14 T C 0.505 175.143 174.700 -0.104 0.000 0.865 14 T CA -0.158 61.845 62.100 -0.162 0.000 0.926 14 T CB -1.016 67.780 68.868 -0.121 0.000 1.189 14 T HN 0.483 nan 8.240 nan 0.000 0.640 15 G N 0.743 109.484 108.800 -0.098 0.000 2.735 15 G HA2 0.619 4.579 3.960 0.000 0.000 0.301 15 G HA3 0.619 4.579 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 -0.957 44.111 45.100 -0.053 0.000 1.019 15 G HN 0.511 nan 8.290 nan 0.000 0.497 16 D N -1.767 118.619 120.400 -0.024 0.000 2.252 16 D HA 0.530 5.170 4.640 0.000 0.000 0.245 16 D C 0.689 176.995 176.300 0.010 0.000 1.009 16 D CA -0.051 53.942 54.000 -0.011 0.000 0.870 16 D CB 1.786 42.579 40.800 -0.011 0.000 1.251 16 D HN 1.328 nan 8.370 nan 0.000 0.460 17 G N 2.273 111.090 108.800 0.029 0.000 2.316 17 G HA2 -0.251 3.709 3.960 0.000 0.000 0.203 17 G HA3 -0.251 3.709 3.960 0.000 0.000 0.203 17 G C 0.030 174.983 174.900 0.089 0.000 0.999 17 G CA -0.070 45.057 45.100 0.046 0.000 0.649 17 G HN 0.847 nan 8.290 nan 0.000 0.489 18 N N 1.422 120.199 118.700 0.130 0.000 2.434 18 N HA 0.419 5.159 4.740 0.000 0.000 0.268 18 N C -0.008 175.765 175.510 0.438 0.000 1.256 18 N CA 0.784 54.001 53.050 0.279 0.000 0.914 18 N CB 1.330 39.973 38.487 0.260 0.000 1.088 18 N HN 0.290 nan 8.380 nan 0.000 0.478 19 S N 2.429 118.324 115.700 0.325 0.000 2.548 19 S HA 0.300 4.770 4.470 0.000 0.000 0.277 19 S C -0.860 173.731 174.600 -0.015 0.000 1.315 19 S CA -0.757 57.545 58.200 0.170 0.000 1.050 19 S CB -0.266 62.965 63.200 0.051 0.000 0.918 19 S HN 0.547 nan 8.310 nan 0.000 0.497 20 F N 5.155 124.913 119.950 -0.320 0.000 2.366 20 F HA 0.373 4.900 4.527 0.000 0.000 0.357 20 F C 0.266 175.811 175.800 -0.425 0.000 1.107 20 F CA -0.535 57.051 58.000 -0.690 0.000 1.208 20 F CB 0.567 39.109 39.000 -0.763 0.000 1.464 20 F HN 0.562 nan 8.300 nan 0.000 0.501 21 T N 2.861 117.119 114.554 -0.493 0.000 3.253 21 T HA 0.403 4.753 4.350 0.000 0.000 0.391 21 T C -2.992 171.427 174.700 -0.467 0.000 1.527 21 T CA -2.314 59.543 62.100 -0.405 0.000 1.268 21 T CB 0.538 69.286 68.868 -0.201 0.000 1.126 21 T HN 0.253 nan 8.240 nan 0.000 0.620 22 P HA 0.251 nan 4.420 nan 0.000 0.276 22 P C -0.096 177.061 177.300 -0.239 0.000 1.264 22 P CA 0.184 63.018 63.100 -0.443 0.000 0.769 22 P CB 0.543 31.918 31.700 -0.543 0.000 0.840 23 T N -1.281 113.167 114.554 -0.177 0.000 2.893 23 T HA 0.313 4.663 4.350 0.000 0.000 0.291 23 T C 1.371 176.024 174.700 -0.078 0.000 1.028 23 T CA -0.478 61.558 62.100 -0.106 0.000 0.995 23 T CB 1.188 70.001 68.868 -0.092 0.000 1.051 23 T HN 0.221 nan 8.240 nan 0.000 0.470 24 S N 0.482 116.152 115.700 -0.050 0.000 2.400 24 S HA -0.235 4.235 4.470 0.000 0.000 0.232 24 S C 1.505 176.090 174.600 -0.026 0.000 1.025 24 S CA 1.466 59.647 58.200 -0.031 0.000 0.993 24 S CB -0.762 62.428 63.200 -0.017 0.000 0.808 24 S HN 0.857 nan 8.310 nan 0.000 0.478 25 D N 1.135 121.514 120.400 -0.036 0.000 2.144 25 D HA -0.087 4.553 4.640 0.000 0.000 0.199 25 D C 0.867 177.142 176.300 -0.042 0.000 0.984 25 D CA 0.994 54.971 54.000 -0.038 0.000 0.834 25 D CB -0.028 40.747 40.800 -0.042 0.000 0.955 25 D HN 0.456 nan 8.370 nan 0.000 0.465 26 M N 0.909 120.475 119.600 -0.058 0.000 3.109 26 M HA 0.122 4.602 4.480 0.000 0.000 0.274 26 M C -0.629 175.645 176.300 -0.044 0.000 1.171 26 M CA -0.188 55.072 55.300 -0.068 0.000 0.856 26 M CB 1.495 34.023 32.600 -0.121 0.000 1.335 26 M HN -0.314 nan 8.290 nan 0.000 0.531 27 T N 0.991 115.535 114.554 -0.016 0.000 2.750 27 T HA 0.140 4.490 4.350 0.000 0.000 0.286 27 T C 0.645 175.370 174.700 0.042 0.000 0.911 27 T CA 0.082 62.183 62.100 0.002 0.000 1.130 27 T CB 0.104 68.980 68.868 0.013 0.000 0.873 27 T HN 0.458 nan 8.240 nan 0.000 0.536 28 S N 3.000 118.735 115.700 0.059 0.000 2.963 28 S HA 0.007 4.477 4.470 0.000 0.000 0.360 28 S C 0.665 175.341 174.600 0.125 0.000 1.198 28 S CA 0.384 58.684 58.200 0.167 0.000 0.962 28 S CB 0.061 63.322 63.200 0.102 0.000 0.628 28 S HN 0.929 nan 8.310 nan 0.000 0.446 29 T N 0.190 114.825 114.554 0.134 0.000 2.927 29 T HA 0.557 4.907 4.350 0.000 0.000 0.350 29 T C -0.993 173.735 174.700 0.047 0.000 1.746 29 T CA 0.154 62.308 62.100 0.090 0.000 1.081 29 T CB 0.818 69.726 68.868 0.066 0.000 1.551 29 T HN 1.130 nan 8.240 nan 0.000 0.489 30 A N 1.675 124.520 122.820 0.043 0.000 2.548 30 A HA 1.004 5.324 4.320 0.000 0.000 0.282 30 A C -0.792 176.809 177.584 0.027 0.000 1.288 30 A CA -0.202 51.840 52.037 0.008 0.000 0.748 30 A CB 0.831 19.847 19.000 0.027 0.000 1.339 30 A HN 1.593 nan 8.150 nan 0.000 0.475 31 A N 0.653 123.491 122.820 0.030 0.000 2.511 31 A HA 0.626 4.946 4.320 0.000 0.000 0.340 31 A C -1.837 175.783 177.584 0.060 0.000 1.396 31 A CA -1.251 50.812 52.037 0.044 0.000 0.887 31 A CB -0.429 18.594 19.000 0.038 0.000 1.145 31 A HN 0.439 nan 8.150 nan 0.000 0.497 32 P HA 0.099 nan 4.420 nan 0.000 0.213 32 P C 0.519 177.852 177.300 0.055 0.000 1.170 32 P CA 1.757 64.899 63.100 0.070 0.000 0.893 32 P CB 0.321 32.060 31.700 0.066 0.000 0.784 33 A N -1.265 121.580 122.820 0.042 0.000 2.572 33 A HA 0.635 4.955 4.320 0.000 0.000 0.295 33 A C -1.123 176.481 177.584 0.033 0.000 1.072 33 A CA -0.597 51.460 52.037 0.033 0.000 0.691 33 A CB 0.790 19.807 19.000 0.028 0.000 1.291 33 A HN 0.065 nan 8.150 nan 0.000 0.404 34 I N -1.660 118.933 120.570 0.038 0.000 2.797 34 I HA 0.695 4.865 4.170 0.000 0.000 0.307 34 I C -0.303 175.842 176.117 0.046 0.000 1.033 34 I CA -0.846 60.482 61.300 0.048 0.000 1.071 34 I CB 1.233 39.276 38.000 0.072 0.000 1.255 34 I HN 0.482 nan 8.210 nan 0.000 0.445 35 D N 2.614 123.033 120.400 0.032 0.000 2.412 35 D HA 0.183 4.823 4.640 0.000 0.000 0.257 35 D C -0.356 175.966 176.300 0.037 0.000 1.217 35 D CA 0.574 54.587 54.000 0.022 0.000 0.897 35 D CB 0.519 41.318 40.800 -0.002 0.000 1.132 35 D HN 0.667 nan 8.370 nan 0.000 0.493 36 L N 3.951 125.198 121.223 0.040 0.000 3.186 36 L HA 0.266 4.606 4.340 0.000 0.000 0.292 36 L C 0.052 176.937 176.870 0.025 0.000 1.303 36 L CA -0.465 54.406 54.840 0.050 0.000 0.940 36 L CB -0.076 42.030 42.059 0.078 0.000 1.358 36 L HN 0.226 nan 8.230 nan 0.000 0.581 37 K N 0.484 120.888 120.400 0.008 0.000 2.350 37 K HA 0.202 4.522 4.320 0.000 0.000 0.279 37 K C -1.627 174.973 176.600 -0.001 0.000 1.027 37 K CA -1.286 55.002 56.287 0.002 0.000 0.969 37 K CB 1.266 33.763 32.500 -0.005 0.000 0.954 37 K HN -0.004 nan 8.250 nan 0.000 0.474 38 P HA -0.187 nan 4.420 nan 0.000 0.214 38 P C 0.992 178.290 177.300 -0.004 0.000 1.163 38 P CA 1.611 64.712 63.100 0.001 0.000 0.889 38 P CB 0.037 31.739 31.700 0.003 0.000 0.790 39 G N -0.489 108.309 108.800 -0.004 0.000 2.547 39 G HA2 -0.303 3.657 3.960 0.000 0.000 0.221 39 G HA3 -0.303 3.657 3.960 0.000 0.000 0.221 39 G C 1.619 176.512 174.900 -0.012 0.000 1.140 39 G CA 1.109 46.206 45.100 -0.005 0.000 0.760 39 G HN 0.223 nan 8.290 nan 0.000 0.583 40 V N 0.555 120.457 119.914 -0.019 0.000 2.871 40 V HA 0.033 4.153 4.120 0.000 0.000 0.256 40 V C 2.797 178.859 176.094 -0.054 0.000 1.082 40 V CA 0.961 63.240 62.300 -0.035 0.000 1.105 40 V CB -0.060 31.741 31.823 -0.037 0.000 0.713 40 V HN 0.358 nan 8.190 nan 0.000 0.473 41 L N 0.348 121.545 121.223 -0.042 0.000 2.187 41 L HA -0.192 4.148 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 1.659 56.466 54.840 -0.055 0.000 0.765 41 L CB -0.806 41.238 42.059 -0.025 0.000 0.904 41 L HN 0.470 nan 8.230 nan 0.000 0.437 42 N N 0.543 119.226 118.700 -0.028 0.000 2.022 42 N HA -0.109 4.631 4.740 0.000 0.000 0.195 42 N C -1.428 174.080 175.510 -0.003 0.000 1.063 42 N CA 0.572 53.617 53.050 -0.009 0.000 0.851 42 N CB -0.904 37.590 38.487 0.011 0.000 1.050 42 N HN 0.046 nan 8.380 nan 0.000 0.425 43 P HA -0.141 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 0.954 64.080 63.100 0.043 0.000 1.011 43 P CB -0.124 31.596 31.700 0.033 0.000 1.090 44 T N 0.887 115.511 114.554 0.117 0.000 3.553 44 T HA 0.220 4.570 4.350 0.000 0.000 0.144 44 T C 0.330 175.118 174.700 0.146 0.000 0.676 44 T CA 0.478 62.647 62.100 0.115 0.000 0.824 44 T CB -0.672 68.260 68.868 0.107 0.000 0.880 44 T HN 0.226 nan 8.240 nan 0.000 0.260 45 G N 3.156 112.074 108.800 0.197 0.000 2.299 45 G HA2 0.439 4.399 3.960 0.000 0.000 0.256 45 G HA3 0.439 4.399 3.960 0.000 0.000 0.256 45 G C -0.301 174.751 174.900 0.253 0.000 1.259 45 G CA 0.135 45.380 45.100 0.240 0.000 0.943 45 G HN 0.557 nan 8.290 nan 0.000 0.479 46 K N 2.289 122.836 120.400 0.245 0.000 2.237 46 K HA 0.326 4.646 4.320 0.000 0.000 0.270 46 K C -0.163 176.515 176.600 0.130 0.000 1.015 46 K CA -0.590 55.754 56.287 0.095 0.000 0.949 46 K CB 0.973 33.410 32.500 -0.105 0.000 0.976 46 K HN 0.334 nan 8.250 nan 0.000 0.472 47 L N 4.997 126.242 121.223 0.037 0.000 2.290 47 L HA 0.426 4.766 4.340 0.000 0.000 0.284 47 L C -1.128 175.759 176.870 0.027 0.000 1.078 47 L CA -0.038 54.893 54.840 0.152 0.000 0.815 47 L CB 0.257 42.426 42.059 0.183 0.000 1.162 47 L HN 0.692 nan 8.230 nan 0.000 0.435 48 W N 4.283 125.654 121.300 0.118 0.000 3.307 48 W HA 0.736 5.396 4.660 0.000 0.000 0.325 48 W C -0.630 176.003 176.519 0.189 0.000 1.255 48 W CA -0.819 56.589 57.345 0.105 0.000 1.006 48 W CB 0.773 30.287 29.460 0.091 0.000 1.608 48 W HN 0.130 nan 8.180 nan 0.000 0.620 49 R N 0.508 121.249 120.500 0.402 0.000 2.604 49 R HA 0.260 4.600 4.340 0.000 0.000 0.270 49 R C -2.793 173.540 176.300 0.056 0.000 1.052 49 R CA -2.591 53.675 56.100 0.277 0.000 0.902 49 R CB 0.844 31.247 30.300 0.171 0.000 1.233 49 R HN 0.049 nan 8.270 nan 0.000 0.455 50 P HA 0.028 nan 4.420 nan 0.000 0.244 50 P C 0.462 177.744 177.300 -0.029 0.000 1.723 50 P CA 0.347 63.382 63.100 -0.109 0.000 1.110 50 P CB 0.083 31.731 31.700 -0.086 0.000 1.972 51 V N 1.654 121.551 119.914 -0.028 0.000 0.588 51 V HA -0.375 3.745 4.120 0.000 0.000 0.092 51 V C 1.728 177.832 176.094 0.017 0.000 1.830 51 V CA 2.575 64.873 62.300 -0.003 0.000 3.401 51 V CB -2.297 29.519 31.823 -0.012 0.000 0.689 51 V HN 0.590 nan 8.190 nan 0.000 0.712 52 G N -1.935 106.877 108.800 0.020 0.000 3.990 52 G HA2 0.220 4.180 3.960 0.000 0.000 0.213 52 G HA3 0.220 4.180 3.960 0.000 0.000 0.213 52 G C 0.164 175.081 174.900 0.029 0.000 0.849 52 G CA 0.906 46.023 45.100 0.028 0.000 0.857 52 G HN 1.454 nan 8.290 nan 0.000 0.484 53 T N 0.878 115.444 114.554 0.021 0.000 2.698 53 T HA 0.548 4.898 4.350 0.000 0.000 0.295 53 T C 1.646 176.365 174.700 0.031 0.000 1.007 53 T CA 0.795 62.908 62.100 0.021 0.000 0.980 53 T CB 0.946 69.821 68.868 0.012 0.000 1.036 53 T HN 0.990 nan 8.240 nan 0.000 0.526 54 S N -0.176 115.541 115.700 0.029 0.000 2.459 54 S HA 0.126 4.596 4.470 0.000 0.000 0.231 54 S C 0.434 175.059 174.600 0.042 0.000 1.353 54 S CA -0.490 57.732 58.200 0.036 0.000 0.988 54 S CB -0.675 62.541 63.200 0.025 0.000 0.860 54 S HN 0.725 nan 8.310 nan 0.000 0.494 55 V N 0.863 120.803 119.914 0.042 0.000 2.217 55 V HA 0.722 4.842 4.120 0.000 0.000 0.264 55 V C 0.618 176.731 176.094 0.032 0.000 1.107 55 V CA 0.337 62.668 62.300 0.052 0.000 0.913 55 V CB -0.885 30.976 31.823 0.063 0.000 1.153 55 V HN 1.098 nan 8.190 nan 0.000 0.469 56 A N 3.033 125.862 122.820 0.015 0.000 3.507 56 A HA 0.003 4.323 4.320 0.000 0.000 0.159 56 A C 1.445 179.022 177.584 -0.013 0.000 1.313 56 A CA 0.508 52.546 52.037 0.002 0.000 1.300 56 A CB -0.437 18.567 19.000 0.006 0.000 1.020 56 A HN 0.626 nan 8.150 nan 0.000 0.470 57 T N 0.974 115.515 114.554 -0.022 0.000 3.400 57 T HA 0.197 4.547 4.350 0.000 0.000 0.254 57 T C 1.468 176.106 174.700 -0.104 0.000 1.153 57 T CA 0.902 62.971 62.100 -0.051 0.000 1.012 57 T CB -1.044 67.799 68.868 -0.042 0.000 0.994 57 T HN 0.443 nan 8.240 nan 0.000 0.555 58 I N 2.979 123.483 120.570 -0.110 0.000 2.229 58 I HA -0.341 3.829 4.170 0.000 0.000 0.250 58 I C 2.697 178.684 176.117 -0.216 0.000 1.096 58 I CA 2.004 63.193 61.300 -0.185 0.000 1.358 58 I CB -0.707 37.247 38.000 -0.076 0.000 1.047 58 I HN 0.466 nan 8.210 nan 0.000 0.422 59 D N 0.287 120.605 120.400 -0.136 0.000 2.280 59 D HA -0.153 4.487 4.640 0.000 0.000 0.206 59 D C 0.659 176.872 176.300 -0.145 0.000 0.988 59 D CA 1.048 54.973 54.000 -0.125 0.000 0.886 59 D CB -0.125 40.627 40.800 -0.081 0.000 0.914 59 D HN 0.358 nan 8.370 nan 0.000 0.473 60 S N -0.278 115.327 115.700 -0.159 0.000 2.561 60 S HA 0.575 5.045 4.470 0.000 0.000 0.303 60 S C -0.371 174.121 174.600 -0.181 0.000 1.110 60 S CA -0.852 57.265 58.200 -0.137 0.000 1.034 60 S CB 1.923 65.078 63.200 -0.076 0.000 1.010 60 S HN 0.166 nan 8.310 nan 0.000 0.482 61 L N 2.148 123.269 121.223 -0.170 0.000 2.386 61 L HA 0.877 5.217 4.340 0.000 0.000 0.271 61 L C -0.197 176.812 176.870 0.232 0.000 0.993 61 L CA -1.033 53.770 54.840 -0.062 0.000 0.819 61 L CB 1.800 43.698 42.059 -0.267 0.000 1.294 61 L HN 0.667 nan 8.230 nan 0.000 0.414 62 A N 2.965 125.938 122.820 0.254 0.000 2.304 62 A HA 0.765 5.085 4.320 0.000 0.000 0.323 62 A C -0.233 177.467 177.584 0.194 0.000 1.195 62 A CA -0.637 51.534 52.037 0.222 0.000 0.826 62 A CB 0.612 19.654 19.000 0.071 0.000 1.184 62 A HN 0.713 nan 8.150 nan 0.000 0.496 63 I N 1.940 122.461 120.570 -0.082 0.000 2.710 63 I HA 0.344 4.514 4.170 0.000 0.000 0.286 63 I C 0.870 176.831 176.117 -0.259 0.000 1.181 63 I CA -0.604 60.471 61.300 -0.375 0.000 1.430 63 I CB -0.248 37.319 38.000 -0.721 0.000 1.367 63 I HN 0.596 nan 8.210 nan 0.000 0.577 64 V N 2.462 122.226 119.914 -0.249 0.000 3.803 64 V HA 0.011 4.131 4.120 0.000 0.000 0.300 64 V C 0.930 176.763 176.094 -0.435 0.000 1.111 64 V CA -0.011 62.128 62.300 -0.268 0.000 1.189 64 V CB 0.630 32.341 31.823 -0.186 0.000 1.118 64 V HN 1.002 nan 8.190 nan 0.000 0.486 65 S N 1.242 116.649 115.700 -0.488 0.000 3.517 65 S HA 0.111 4.581 4.470 0.000 0.000 0.284 65 S C 0.966 175.052 174.600 -0.856 0.000 1.260 65 S CA 0.023 57.845 58.200 -0.630 0.000 0.975 65 S CB -1.169 61.675 63.200 -0.593 0.000 1.540 65 S HN 1.044 nan 8.310 nan 0.000 0.506 66 D N 4.405 124.285 120.400 -0.866 0.000 2.178 66 D HA -0.207 4.433 4.640 0.000 0.000 0.201 66 D C 1.701 177.602 176.300 -0.665 0.000 0.980 66 D CA 0.772 54.105 54.000 -1.111 0.000 0.842 66 D CB -0.285 40.042 40.800 -0.789 0.000 0.948 66 D HN 0.527 nan 8.370 nan 0.000 0.472 67 R N -0.308 119.825 120.500 -0.611 0.000 2.224 67 R HA -0.235 4.105 4.340 0.000 0.000 0.255 67 R C 1.065 177.127 176.300 -0.396 0.000 1.130 67 R CA 2.627 58.393 56.100 -0.557 0.000 0.957 67 R CB -0.468 29.379 30.300 -0.755 0.000 0.907 67 R HN 0.522 nan 8.270 nan 0.000 0.446 68 F N -5.025 114.888 119.950 -0.063 0.000 3.083 68 F HA 0.548 5.075 4.527 0.000 0.000 0.355 68 F C 0.161 176.011 175.800 0.084 0.000 1.194 68 F CA -0.145 57.872 58.000 0.028 0.000 1.027 68 F CB 0.177 39.187 39.000 0.018 0.000 1.386 68 F HN 0.081 nan 8.300 nan 0.000 0.513 69 G N -0.025 108.721 108.800 -0.090 0.000 2.619 69 G HA2 0.331 4.291 3.960 0.000 0.000 0.146 69 G HA3 0.331 4.291 3.960 0.000 0.000 0.146 69 G C -1.369 173.035 174.900 -0.826 0.000 1.192 69 G CA -0.710 44.352 45.100 -0.064 0.000 1.063 69 G HN -0.033 nan 8.290 nan 0.000 0.538 70 Q N 0.735 119.521 119.800 -1.689 0.000 3.970 70 Q HA -0.037 4.303 4.340 0.000 0.000 0.367 70 Q C -0.808 174.633 176.000 -0.931 0.000 1.189 70 Q CA 0.965 55.715 55.803 -1.755 0.000 1.212 70 Q CB -1.011 27.237 28.738 -0.815 0.000 1.037 70 Q HN 0.451 nan 8.270 nan 0.000 0.474 71 Y N -0.825 119.070 120.300 -0.674 0.000 2.780 71 Y HA 0.414 4.964 4.550 0.000 0.000 0.340 71 Y C 1.290 177.195 175.900 0.008 0.000 1.216 71 Y CA -1.165 56.841 58.100 -0.156 0.000 1.245 71 Y CB 0.601 39.074 38.460 0.022 0.000 1.492 71 Y HN 0.238 nan 8.280 nan 0.000 0.660 72 S N 0.622 116.463 115.700 0.234 0.000 2.560 72 S HA -0.060 4.410 4.470 0.000 0.000 0.276 72 S C -0.612 174.047 174.600 0.098 0.000 1.350 72 S CA -0.442 57.846 58.200 0.145 0.000 1.024 72 S CB -0.217 63.048 63.200 0.108 0.000 0.864 72 S HN 0.360 nan 8.310 nan 0.000 0.536 73 F N 3.055 123.088 119.950 0.138 0.000 2.569 73 F HA 0.046 4.573 4.527 0.000 0.000 0.395 73 F C 0.306 176.149 175.800 0.071 0.000 1.028 73 F CA -0.042 58.021 58.000 0.106 0.000 1.158 73 F CB -0.184 38.868 39.000 0.086 0.000 1.023 73 F HN 0.217 nan 8.300 nan 0.000 0.547 74 V N 5.806 125.026 119.914 -1.156 0.000 2.763 74 V HA -0.131 3.989 4.120 0.000 0.000 0.306 74 V C 0.696 176.584 176.094 -0.344 0.000 1.059 74 V CA -0.553 61.395 62.300 -0.587 0.000 1.138 74 V CB 0.341 31.879 31.823 -0.476 0.000 0.940 74 V HN 0.676 nan 8.190 nan 0.000 0.489 75 N N 3.335 121.922 118.700 -0.188 0.000 2.399 75 N HA -0.049 4.691 4.740 0.000 0.000 0.284 75 N C 1.246 176.687 175.510 -0.114 0.000 1.283 75 N CA 0.493 53.474 53.050 -0.115 0.000 0.972 75 N CB 0.024 38.424 38.487 -0.146 0.000 1.328 75 N HN 0.836 nan 8.380 nan 0.000 0.486 76 E N 2.551 122.742 120.200 -0.015 0.000 2.217 76 E HA -0.292 4.058 4.350 0.000 0.000 0.219 76 E C 1.365 177.924 176.600 -0.069 0.000 1.070 76 E CA 1.988 58.386 56.400 -0.004 0.000 0.889 76 E CB -0.125 29.610 29.700 0.058 0.000 0.768 76 E HN 0.782 nan 8.360 nan 0.000 0.465 77 G N 0.460 109.203 108.800 -0.094 0.000 2.394 77 G HA2 -0.242 3.718 3.960 0.000 0.000 0.215 77 G HA3 -0.242 3.718 3.960 0.000 0.000 0.215 77 G C 1.487 176.244 174.900 -0.239 0.000 1.165 77 G CA 0.703 45.725 45.100 -0.131 0.000 0.784 77 G HN 0.266 nan 8.290 nan 0.000 0.535 78 M N 1.143 120.548 119.600 -0.325 0.000 2.132 78 M HA -0.067 4.413 4.480 0.000 0.000 0.263 78 M C 2.865 178.813 176.300 -0.587 0.000 1.065 78 M CA 1.698 56.625 55.300 -0.620 0.000 1.122 78 M CB -0.140 32.104 32.600 -0.594 0.000 1.365 78 M HN 0.352 nan 8.290 nan 0.000 0.411 79 R N 0.028 120.340 120.500 -0.313 0.000 2.096 79 R HA -0.187 4.153 4.340 0.000 0.000 0.240 79 R C 1.739 177.947 176.300 -0.153 0.000 1.139 79 R CA 2.029 58.014 56.100 -0.190 0.000 0.952 79 R CB -1.181 29.043 30.300 -0.127 0.000 0.854 79 R HN 0.497 nan 8.270 nan 0.000 0.436 80 E N 0.713 120.825 120.200 -0.147 0.000 2.051 80 E HA -0.175 4.175 4.350 0.000 0.000 0.192 80 E C 2.291 178.805 176.600 -0.143 0.000 0.991 80 E CA 2.073 58.402 56.400 -0.120 0.000 0.799 80 E CB -0.227 29.422 29.700 -0.084 0.000 0.748 80 E HN 0.665 nan 8.360 nan 0.000 0.449 81 T N 0.158 114.614 114.554 -0.163 0.000 2.622 81 T HA -0.199 4.151 4.350 0.000 0.000 0.266 81 T C 1.827 176.551 174.700 0.040 0.000 1.047 81 T CA 1.231 63.267 62.100 -0.108 0.000 1.159 81 T CB -0.636 68.139 68.868 -0.156 0.000 0.863 81 T HN -0.029 nan 8.240 nan 0.000 0.422 82 F N 1.984 121.823 119.950 -0.183 0.000 2.120 82 F HA -0.020 4.507 4.527 0.000 0.000 0.300 82 F C 3.217 178.842 175.800 -0.292 0.000 1.095 82 F CA 0.502 58.374 58.000 -0.214 0.000 1.249 82 F CB -1.664 37.218 39.000 -0.197 0.000 0.995 82 F HN 0.320 nan 8.300 nan 0.000 0.480 83 S N -0.126 115.474 115.700 -0.166 0.000 2.370 83 S HA -0.173 4.297 4.470 0.000 0.000 0.226 83 S C 2.217 176.233 174.600 -0.974 0.000 1.033 83 S CA 1.157 59.089 58.200 -0.447 0.000 1.011 83 S CB -0.121 62.864 63.200 -0.359 0.000 0.852 83 S HN 0.160 nan 8.310 nan 0.000 0.457 84 K N 1.697 121.653 120.400 -0.740 0.000 2.063 84 K HA 0.018 4.338 4.320 0.000 0.000 0.208 84 K C 2.385 178.795 176.600 -0.316 0.000 1.048 84 K CA 1.344 57.249 56.287 -0.637 0.000 0.928 84 K CB -1.330 31.039 32.500 -0.218 0.000 0.713 84 K HN 0.461 nan 8.250 nan 0.000 0.442 85 A N 1.710 124.415 122.820 -0.192 0.000 1.892 85 A HA -0.181 4.139 4.320 0.000 0.000 0.218 85 A C 2.250 179.777 177.584 -0.095 0.000 1.188 85 A CA 1.603 53.580 52.037 -0.100 0.000 0.631 85 A CB -0.716 18.223 19.000 -0.101 0.000 0.822 85 A HN 0.237 nan 8.150 nan 0.000 0.447 86 L N -0.708 120.418 121.223 -0.161 0.000 2.127 86 L HA -0.108 4.232 4.340 0.000 0.000 0.211 86 L C 2.183 179.121 176.870 0.114 0.000 1.089 86 L CA 1.667 56.468 54.840 -0.066 0.000 0.757 86 L CB -0.705 41.299 42.059 -0.092 0.000 0.899 86 L HN 0.499 nan 8.230 nan 0.000 0.434 87 F N -0.523 119.404 119.950 -0.037 0.000 2.186 87 F HA -0.227 4.300 4.527 0.000 0.000 0.299 87 F C 2.068 177.842 175.800 -0.042 0.000 1.090 87 F CA 0.461 58.436 58.000 -0.042 0.000 1.307 87 F CB -0.530 38.444 39.000 -0.043 0.000 1.019 87 F HN 0.163 nan 8.300 nan 0.000 0.489 88 D N 1.212 121.706 120.400 0.156 0.000 2.154 88 D HA -0.243 4.397 4.640 0.000 0.000 0.190 88 D C 2.149 178.587 176.300 0.230 0.000 1.003 88 D CA 1.673 55.738 54.000 0.109 0.000 0.849 88 D CB -0.265 40.615 40.800 0.134 0.000 0.942 88 D HN 0.093 nan 8.370 nan 0.000 0.446 89 I N 0.723 121.413 120.570 0.199 0.000 2.286 89 I HA -0.205 3.965 4.170 0.000 0.000 0.248 89 I C 1.633 177.801 176.117 0.086 0.000 1.115 89 I CA 1.240 62.608 61.300 0.114 0.000 1.392 89 I CB -1.340 36.545 38.000 -0.190 0.000 1.065 89 I HN 0.158 nan 8.210 nan 0.000 0.418 90 N N 1.109 119.847 118.700 0.063 0.000 2.205 90 N HA -0.186 4.554 4.740 0.000 0.000 0.186 90 N C 1.826 177.367 175.510 0.051 0.000 1.015 90 N CA 1.095 54.168 53.050 0.039 0.000 0.862 90 N CB -0.247 38.258 38.487 0.030 0.000 0.986 90 N HN 0.390 nan 8.380 nan 0.000 0.429 91 M N -0.700 118.924 119.600 0.040 0.000 2.267 91 M HA -0.128 4.352 4.480 0.000 0.000 0.263 91 M C 0.806 177.153 176.300 0.080 0.000 1.063 91 M CA 1.271 56.525 55.300 -0.078 0.000 1.090 91 M CB -0.084 32.322 32.600 -0.323 0.000 1.392 91 M HN 0.282 nan 8.290 nan 0.000 0.422 92 W N 0.504 121.904 121.300 0.165 0.000 3.102 92 W HA 0.220 4.880 4.660 0.000 0.000 0.401 92 W C 1.562 178.269 176.519 0.313 0.000 1.070 92 W CA -0.338 57.190 57.345 0.304 0.000 1.921 92 W CB -0.429 29.365 29.460 0.556 0.000 1.118 92 W HN 0.418 nan 8.180 nan 0.000 0.647 93 Q N 1.567 121.569 119.800 0.337 0.000 2.096 93 Q HA -0.217 4.123 4.340 0.000 0.000 0.208 93 Q C -0.140 175.988 176.000 0.214 0.000 0.993 93 Q CA 2.424 58.358 55.803 0.218 0.000 0.862 93 Q CB -0.862 27.931 28.738 0.093 0.000 0.915 93 Q HN 0.024 nan 8.270 nan 0.000 0.416 94 P HA -0.176 nan 4.420 nan 0.000 0.218 94 P C 1.238 178.572 177.300 0.057 0.000 1.148 94 P CA 0.995 64.156 63.100 0.101 0.000 0.822 94 P CB 0.015 31.760 31.700 0.075 0.000 0.784 95 L N -1.410 119.869 121.223 0.093 0.000 2.068 95 L HA 0.079 4.419 4.340 0.000 0.000 0.204 95 L C 2.518 179.308 176.870 -0.132 0.000 1.076 95 L CA 1.413 56.174 54.840 -0.132 0.000 0.753 95 L CB -1.534 40.358 42.059 -0.279 0.000 0.910 95 L HN -0.264 nan 8.230 nan 0.000 0.439 96 F N 0.354 120.341 119.950 0.062 0.000 2.063 96 F HA -0.345 4.182 4.527 0.000 0.000 0.298 96 F C 2.742 178.566 175.800 0.040 0.000 1.109 96 F CA 2.250 60.344 58.000 0.156 0.000 1.212 96 F CB -0.570 38.550 39.000 0.199 0.000 0.973 96 F HN 0.205 nan 8.300 nan 0.000 0.480 97 Q N -0.655 119.279 119.800 0.223 0.000 2.096 97 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 97 Q C 2.400 178.414 176.000 0.023 0.000 0.982 97 Q CA 1.671 57.538 55.803 0.107 0.000 0.850 97 Q CB -0.420 28.367 28.738 0.082 0.000 0.901 97 Q HN 0.471 nan 8.270 nan 0.000 0.422 98 A N 0.259 123.058 122.820 -0.035 0.000 1.969 98 A HA -0.139 4.181 4.320 0.000 0.000 0.218 98 A C 2.116 179.614 177.584 -0.143 0.000 1.169 98 A CA 1.672 53.649 52.037 -0.101 0.000 0.635 98 A CB -0.724 18.175 19.000 -0.168 0.000 0.810 98 A HN 0.536 nan 8.150 nan 0.000 0.445 99 T N -3.257 111.187 114.554 -0.183 0.000 3.163 99 T HA 0.092 4.442 4.350 0.000 0.000 0.260 99 T C 0.701 175.363 174.700 -0.064 0.000 1.156 99 T CA 0.787 62.783 62.100 -0.173 0.000 1.072 99 T CB -0.374 68.362 68.868 -0.220 0.000 0.937 99 T HN 0.401 nan 8.240 nan 0.000 0.528 100 K N 1.406 121.795 120.400 -0.018 0.000 2.975 100 K HA -0.143 4.177 4.320 0.000 0.000 0.257 100 K C 0.453 177.079 176.600 0.043 0.000 1.005 100 K CA 1.204 57.502 56.287 0.018 0.000 0.738 100 K CB -2.393 30.109 32.500 0.003 0.000 1.236 100 K HN 0.777 nan 8.250 nan 0.000 0.483 101 T N -2.823 111.779 114.554 0.079 0.000 3.285 101 T HA 0.440 4.790 4.350 0.000 0.000 0.232 101 T C 1.112 175.921 174.700 0.183 0.000 0.973 101 T CA -0.192 61.968 62.100 0.100 0.000 1.023 101 T CB 0.584 69.469 68.868 0.030 0.000 1.158 101 T HN 0.618 nan 8.240 nan 0.000 0.590 102 G N 0.311 109.189 108.800 0.130 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 1.341 176.320 174.900 0.132 0.000 1.021 102 G CA 0.090 45.258 45.100 0.113 0.000 0.798 102 G HN 0.815 nan 8.290 nan 0.000 0.507 103 C N 0.246 119.656 119.300 0.183 0.000 2.396 103 C HA 0.112 4.572 4.460 0.000 0.000 0.279 103 C C 2.603 177.612 174.990 0.031 0.000 1.229 103 C CA 1.379 60.490 59.018 0.155 0.000 1.801 103 C CB -1.262 26.596 27.740 0.197 0.000 2.050 103 C HN 1.771 nan 8.230 nan 0.000 0.491 104 G N 3.367 112.194 108.800 0.044 0.000 2.249 104 G HA2 0.152 4.112 3.960 0.000 0.000 0.281 104 G HA3 0.152 4.112 3.960 0.000 0.000 0.281 104 G C -1.636 173.272 174.900 0.013 0.000 0.862 104 G CA -0.169 44.948 45.100 0.028 0.000 1.237 104 G HN 0.721 nan 8.290 nan 0.000 0.340 105 P HA -0.072 nan 4.420 nan 0.000 0.250 105 P C 1.426 178.746 177.300 0.033 0.000 1.161 105 P CA -0.078 63.025 63.100 0.005 0.000 0.863 105 P CB 0.461 32.169 31.700 0.014 0.000 0.827 106 I N 3.949 124.537 120.570 0.030 0.000 2.161 106 I HA -0.363 3.807 4.170 0.000 0.000 0.246 106 I C 1.205 177.392 176.117 0.117 0.000 1.048 106 I CA 1.996 63.340 61.300 0.074 0.000 1.314 106 I CB -0.757 37.265 38.000 0.037 0.000 1.014 106 I HN 0.429 nan 8.210 nan 0.000 0.418 107 V N -1.392 118.571 119.914 0.081 0.000 5.981 107 V HA -0.248 3.872 4.120 0.000 0.000 0.233 107 V C 0.887 177.051 176.094 0.116 0.000 0.653 107 V CA 0.556 62.911 62.300 0.091 0.000 0.677 107 V CB -2.131 29.742 31.823 0.083 0.000 0.632 107 V HN 0.356 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 -0.207 4.133 4.340 0.000 0.000 0.215 108 L C 2.807 179.693 176.870 0.026 0.000 1.080 108 L CA 3.124 57.922 54.840 -0.070 0.000 0.764 108 L CB -0.404 41.590 42.059 -0.109 0.000 0.890 108 L HN 1.247 nan 8.230 nan 0.000 0.435 109 S N -2.390 113.335 115.700 0.043 0.000 2.407 109 S HA -0.265 4.205 4.470 0.000 0.000 0.235 109 S C 1.976 176.616 174.600 0.066 0.000 1.036 109 S CA 1.609 59.834 58.200 0.043 0.000 1.013 109 S CB -0.944 62.281 63.200 0.042 0.000 0.820 109 S HN 0.537 nan 8.310 nan 0.000 0.476 110 S N 1.409 117.186 115.700 0.128 0.000 2.402 110 S HA 0.095 4.565 4.470 0.000 0.000 0.229 110 S C 1.345 176.010 174.600 0.108 0.000 1.021 110 S CA 1.153 59.416 58.200 0.105 0.000 0.974 110 S CB -0.526 62.731 63.200 0.095 0.000 0.800 110 S HN 0.584 nan 8.310 nan 0.000 0.484 111 F N 2.227 122.128 119.950 -0.081 0.000 2.234 111 F HA 0.019 4.546 4.527 0.000 0.000 0.296 111 F C 1.960 177.615 175.800 -0.242 0.000 1.089 111 F CA 0.607 58.535 58.000 -0.120 0.000 1.343 111 F CB -1.489 37.457 39.000 -0.089 0.000 1.040 111 F HN 0.078 nan 8.300 nan 0.000 0.498 112 T N 0.351 114.885 114.554 -0.033 0.000 3.738 112 T HA 0.168 4.518 4.350 0.000 0.000 0.231 112 T C 0.225 174.774 174.700 -0.252 0.000 0.967 112 T CA -0.362 61.620 62.100 -0.196 0.000 1.227 112 T CB -1.314 67.478 68.868 -0.126 0.000 1.136 112 T HN 0.138 nan 8.240 nan 0.000 0.807 113 T N 0.664 114.901 114.554 -0.530 0.000 2.928 113 T HA 0.525 4.875 4.350 0.000 0.000 0.284 113 T C 0.596 175.170 174.700 -0.210 0.000 1.008 113 T CA -0.999 60.851 62.100 -0.418 0.000 1.057 113 T CB 1.147 69.778 68.868 -0.396 0.000 1.018 113 T HN 0.648 nan 8.240 nan 0.000 0.493 114 T N -0.175 114.431 114.554 0.086 0.000 2.902 114 T HA 0.313 4.663 4.350 0.000 0.000 0.301 114 T C 0.086 175.020 174.700 0.390 0.000 1.012 114 T CA -0.504 61.713 62.100 0.195 0.000 1.151 114 T CB 0.308 69.265 68.868 0.150 0.000 0.946 114 T HN 0.720 nan 8.240 nan 0.000 0.542 115 T N 2.294 117.074 114.554 0.377 0.000 2.792 115 T HA 0.546 4.896 4.350 0.000 0.000 0.280 115 T C -0.848 173.985 174.700 0.222 0.000 0.990 115 T CA -0.612 61.685 62.100 0.328 0.000 0.960 115 T CB 1.153 70.251 68.868 0.382 0.000 0.939 115 T HN 0.769 nan 8.240 nan 0.000 0.439 116 S N 2.951 118.740 115.700 0.149 0.000 2.779 116 S HA 0.788 5.258 4.470 0.000 0.000 0.293 116 S C 0.075 174.720 174.600 0.075 0.000 1.150 116 S CA 0.351 58.611 58.200 0.100 0.000 1.057 116 S CB 0.389 63.636 63.200 0.077 0.000 1.021 116 S HN 1.272 nan 8.310 nan 0.000 0.485 117 G N 3.503 112.327 108.800 0.039 0.000 2.534 117 G HA2 0.163 4.123 3.960 0.000 0.000 0.142 117 G HA3 0.163 4.123 3.960 0.000 0.000 0.142 117 G C -1.963 172.857 174.900 -0.134 0.000 1.178 117 G CA -0.612 44.478 45.100 -0.016 0.000 1.037 117 G HN 0.512 nan 8.290 nan 0.000 0.474 118 Y N 0.295 120.686 120.300 0.151 0.000 2.308 118 Y HA 0.540 5.090 4.550 0.000 0.000 0.329 118 Y C 0.512 176.563 175.900 0.253 0.000 1.111 118 Y CA -0.386 57.801 58.100 0.145 0.000 1.179 118 Y CB 1.969 40.477 38.460 0.079 0.000 1.201 118 Y HN 0.258 nan 8.280 nan 0.000 0.483 119 V N 2.996 123.066 119.914 0.260 0.000 2.334 119 V HA 0.863 4.983 4.120 0.000 0.000 0.281 119 V C 0.189 176.419 176.094 0.227 0.000 1.016 119 V CA -0.501 61.962 62.300 0.271 0.000 0.832 119 V CB 0.724 32.657 31.823 0.184 0.000 0.999 119 V HN 0.936 nan 8.190 nan 0.000 0.439 120 G N 2.362 111.368 108.800 0.343 0.000 2.616 120 G HA2 0.573 4.533 3.960 0.000 0.000 0.294 120 G HA3 0.573 4.533 3.960 0.000 0.000 0.294 120 G C 0.340 175.472 174.900 0.387 0.000 1.489 120 G CA 0.128 45.368 45.100 0.234 0.000 0.836 120 G HN 0.766 nan 8.290 nan 0.000 0.527 121 A N 0.187 123.146 122.820 0.231 0.000 1.884 121 A HA 0.234 4.554 4.320 0.000 0.000 0.219 121 A C 1.778 179.531 177.584 0.283 0.000 1.197 121 A CA 2.710 54.884 52.037 0.228 0.000 0.637 121 A CB -0.969 18.111 19.000 0.133 0.000 0.827 121 A HN 2.002 nan 8.150 nan 0.000 0.450 122 T N -5.216 109.435 114.554 0.162 0.000 2.918 122 T HA 0.679 5.029 4.350 0.000 0.000 0.286 122 T C 1.010 175.581 174.700 -0.215 0.000 1.026 122 T CA -0.052 62.113 62.100 0.109 0.000 1.031 122 T CB 1.692 70.586 68.868 0.043 0.000 1.046 122 T HN 0.783 nan 8.240 nan 0.000 0.479 123 A N 2.439 125.023 122.820 -0.394 0.000 1.896 123 A HA 0.022 4.342 4.320 0.000 0.000 0.220 123 A C 2.434 179.725 177.584 -0.488 0.000 1.206 123 A CA 2.712 54.265 52.037 -0.807 0.000 0.647 123 A CB -1.971 16.794 19.000 -0.390 0.000 0.828 123 A HN 1.454 nan 8.150 nan 0.000 0.455 124 G N 0.900 109.550 108.800 -0.249 0.000 2.859 124 G HA2 -0.511 3.449 3.960 0.000 0.000 0.236 124 G HA3 -0.511 3.449 3.960 0.000 0.000 0.236 124 G C 1.057 175.857 174.900 -0.165 0.000 1.207 124 G CA 2.337 47.337 45.100 -0.165 0.000 0.769 124 G HN 0.808 nan 8.290 nan 0.000 0.674 125 D N 0.886 121.207 120.400 -0.131 0.000 2.149 125 D HA 0.146 4.786 4.640 0.000 0.000 0.198 125 D C 2.410 178.639 176.300 -0.118 0.000 0.990 125 D CA 1.952 55.895 54.000 -0.095 0.000 0.839 125 D CB -0.691 40.089 40.800 -0.033 0.000 0.948 125 D HN 0.496 nan 8.370 nan 0.000 0.460 126 A N 0.404 123.076 122.820 -0.247 0.000 2.015 126 A HA -0.009 4.311 4.320 0.000 0.000 0.219 126 A C 2.329 179.782 177.584 -0.218 0.000 1.163 126 A CA 0.985 52.844 52.037 -0.296 0.000 0.646 126 A CB -0.890 17.584 19.000 -0.877 0.000 0.806 126 A HN 0.333 nan 8.150 nan 0.000 0.448 127 L N -0.380 120.653 121.223 -0.317 0.000 2.043 127 L HA -0.270 4.070 4.340 0.000 0.000 0.212 127 L C 1.887 178.731 176.870 -0.044 0.000 1.075 127 L CA 1.866 56.550 54.840 -0.260 0.000 0.752 127 L CB -0.823 41.093 42.059 -0.239 0.000 0.891 127 L HN 0.292 nan 8.230 nan 0.000 0.432 128 D N -0.829 119.562 120.400 -0.015 0.000 2.224 128 D HA -0.087 4.553 4.640 0.000 0.000 0.205 128 D C 0.737 177.080 176.300 0.072 0.000 0.965 128 D CA 0.792 54.811 54.000 0.031 0.000 0.852 128 D CB -0.141 40.655 40.800 -0.007 0.000 0.947 128 D HN 0.224 nan 8.370 nan 0.000 0.494 129 N N 0.345 119.107 118.700 0.104 0.000 2.479 129 N HA 0.278 5.018 4.740 0.000 0.000 0.261 129 N C -2.868 172.655 175.510 0.022 0.000 0.979 129 N CA -1.809 51.275 53.050 0.056 0.000 0.930 129 N CB 1.832 40.340 38.487 0.035 0.000 1.172 129 N HN -0.216 nan 8.380 nan 0.000 0.499 130 P HA 0.291 nan 4.420 nan 0.000 0.307 130 P C -1.297 175.860 177.300 -0.239 0.000 1.412 130 P CA -0.660 62.166 63.100 -0.458 0.000 0.985 130 P CB 2.128 33.310 31.700 -0.863 0.000 1.098 131 V N 3.134 122.942 119.914 -0.178 0.000 2.305 131 V HA 0.229 4.349 4.120 0.000 0.000 0.275 131 V C 0.586 176.637 176.094 -0.071 0.000 1.020 131 V CA -0.362 61.870 62.300 -0.114 0.000 0.811 131 V CB 1.099 32.854 31.823 -0.113 0.000 1.031 131 V HN 0.646 nan 8.190 nan 0.000 0.439 132 T N 1.403 115.911 114.554 -0.075 0.000 2.851 132 T HA 0.263 4.613 4.350 0.000 0.000 0.298 132 T C 0.527 175.233 174.700 0.009 0.000 0.977 132 T CA -0.160 61.922 62.100 -0.031 0.000 1.126 132 T CB 0.080 68.924 68.868 -0.040 0.000 0.916 132 T HN 0.741 nan 8.240 nan 0.000 0.529 133 N N 1.546 120.277 118.700 0.052 0.000 2.650 133 N HA -0.143 4.597 4.740 0.000 0.000 0.272 133 N C 0.608 176.189 175.510 0.119 0.000 1.058 133 N CA 0.763 53.865 53.050 0.088 0.000 0.765 133 N CB -1.001 37.526 38.487 0.066 0.000 0.902 133 N HN 1.006 nan 8.380 nan 0.000 0.551 134 G N -0.323 108.598 108.800 0.201 0.000 2.882 134 G HA2 0.708 4.668 3.960 0.000 0.000 0.164 134 G HA3 0.708 4.668 3.960 0.000 0.000 0.164 134 G C -0.218 174.897 174.900 0.360 0.000 1.429 134 G CA 0.143 45.471 45.100 0.380 0.000 1.059 134 G HN 0.835 nan 8.290 nan 0.000 0.581 135 V N -2.233 117.931 119.914 0.417 0.000 2.932 135 V HA 0.780 4.900 4.120 0.000 0.000 0.307 135 V C -0.886 175.090 176.094 -0.197 0.000 1.147 135 V CA -1.149 61.165 62.300 0.024 0.000 0.951 135 V CB 1.137 32.898 31.823 -0.103 0.000 1.031 135 V HN 1.025 nan 8.190 nan 0.000 0.426 136 F N 3.094 122.988 119.950 -0.094 0.000 2.594 136 F HA 0.944 5.471 4.527 0.000 0.000 0.335 136 F C -0.872 174.917 175.800 -0.017 0.000 1.058 136 F CA -1.531 56.431 58.000 -0.062 0.000 0.981 136 F CB 1.846 40.881 39.000 0.058 0.000 1.289 136 F HN 0.693 nan 8.300 nan 0.000 0.490 137 I N 1.453 122.033 120.570 0.015 0.000 2.686 137 I HA 0.434 4.604 4.170 0.000 0.000 0.295 137 I C -0.939 175.326 176.117 0.246 0.000 1.114 137 I CA -0.574 60.725 61.300 -0.001 0.000 1.038 137 I CB 2.145 40.093 38.000 -0.086 0.000 1.238 137 I HN 0.880 nan 8.210 nan 0.000 0.420 138 S N 3.246 119.128 115.700 0.304 0.000 2.554 138 S HA 0.218 4.688 4.470 0.000 0.000 0.278 138 S C 1.341 175.821 174.600 -0.199 0.000 1.242 138 S CA 0.196 58.459 58.200 0.104 0.000 1.051 138 S CB 1.289 64.800 63.200 0.519 0.000 0.986 138 S HN 0.844 nan 8.310 nan 0.000 0.502 139 T N 3.081 117.311 114.554 -0.541 0.000 2.620 139 T HA -0.203 4.147 4.350 0.000 0.000 0.267 139 T C 1.791 176.473 174.700 -0.030 0.000 1.044 139 T CA 2.189 64.141 62.100 -0.247 0.000 1.161 139 T CB -1.298 67.505 68.868 -0.107 0.000 0.862 139 T HN 0.505 nan 8.240 nan 0.000 0.438 140 V N 2.276 122.229 119.914 0.065 0.000 2.231 140 V HA -0.297 3.823 4.120 0.000 0.000 0.248 140 V C 3.021 179.184 176.094 0.116 0.000 1.054 140 V CA 2.410 64.771 62.300 0.101 0.000 1.015 140 V CB -1.188 30.724 31.823 0.147 0.000 0.638 140 V HN 0.549 nan 8.190 nan 0.000 0.444 141 Q N -0.062 119.834 119.800 0.160 0.000 2.030 141 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 141 Q C 2.299 178.482 176.000 0.305 0.000 0.986 141 Q CA 2.406 58.371 55.803 0.270 0.000 0.843 141 Q CB -0.492 28.437 28.738 0.318 0.000 0.904 141 Q HN 0.862 nan 8.270 nan 0.000 0.420 142 I N -1.900 118.743 120.570 0.122 0.000 2.264 142 I HA -0.293 3.877 4.170 0.000 0.000 0.248 142 I C 2.469 178.586 176.117 -0.001 0.000 1.111 142 I CA 1.027 62.330 61.300 0.006 0.000 1.382 142 I CB -0.568 37.405 38.000 -0.046 0.000 1.060 142 I HN 0.201 nan 8.210 nan 0.000 0.418 143 M N 2.393 122.006 119.600 0.023 0.000 2.110 143 M HA -0.296 4.184 4.480 0.000 0.000 0.257 143 M C 2.001 178.321 176.300 0.033 0.000 1.071 143 M CA 2.442 57.753 55.300 0.019 0.000 1.096 143 M CB -1.349 31.270 32.600 0.032 0.000 1.300 143 M HN 0.423 nan 8.290 nan 0.000 0.411 144 N N -0.176 118.578 118.700 0.090 0.000 2.216 144 N HA -0.136 4.604 4.740 0.000 0.000 0.183 144 N C 1.558 177.152 175.510 0.141 0.000 1.017 144 N CA 1.069 54.189 53.050 0.115 0.000 0.861 144 N CB -0.211 38.362 38.487 0.143 0.000 0.986 144 N HN 0.215 nan 8.380 nan 0.000 0.428 145 L N 1.549 122.869 121.223 0.161 0.000 1.970 145 L HA -0.259 4.081 4.340 0.000 0.000 0.212 145 L C 1.980 178.756 176.870 -0.157 0.000 1.071 145 L CA 1.806 56.590 54.840 -0.094 0.000 0.751 145 L CB -0.750 41.005 42.059 -0.506 0.000 0.889 145 L HN 0.217 nan 8.230 nan 0.000 0.432 146 Q N -0.728 118.976 119.800 -0.161 0.000 2.096 146 Q HA -0.311 4.029 4.340 0.000 0.000 0.208 146 Q C 2.342 178.276 176.000 -0.109 0.000 0.993 146 Q CA 2.183 57.885 55.803 -0.169 0.000 0.862 146 Q CB -0.539 28.106 28.738 -0.154 0.000 0.915 146 Q HN 0.520 nan 8.270 nan 0.000 0.416 147 R N 0.497 120.963 120.500 -0.057 0.000 2.133 147 R HA -0.221 4.119 4.340 0.000 0.000 0.245 147 R C 2.157 178.439 176.300 -0.030 0.000 1.137 147 R CA 2.375 58.457 56.100 -0.030 0.000 0.947 147 R CB -0.613 29.687 30.300 -0.001 0.000 0.865 147 R HN 0.398 nan 8.270 nan 0.000 0.437 148 T N 0.926 115.468 114.554 -0.020 0.000 2.652 148 T HA -0.173 4.177 4.350 0.000 0.000 0.267 148 T C 2.089 176.757 174.700 -0.053 0.000 1.039 148 T CA 1.801 63.891 62.100 -0.018 0.000 1.153 148 T CB -0.475 68.399 68.868 0.010 0.000 0.863 148 T HN 0.261 nan 8.240 nan 0.000 0.428 149 I N 1.875 122.385 120.570 -0.100 0.000 2.208 149 I HA -0.212 3.958 4.170 0.000 0.000 0.245 149 I C 3.107 179.163 176.117 -0.101 0.000 1.097 149 I CA 1.282 62.506 61.300 -0.127 0.000 1.363 149 I CB -0.615 37.264 38.000 -0.202 0.000 1.051 149 I HN 0.290 nan 8.210 nan 0.000 0.413 150 A N 0.646 123.409 122.820 -0.095 0.000 1.933 150 A HA -0.165 4.155 4.320 0.000 0.000 0.218 150 A C 2.528 180.075 177.584 -0.061 0.000 1.175 150 A CA 1.870 53.860 52.037 -0.077 0.000 0.628 150 A CB -0.742 18.216 19.000 -0.071 0.000 0.814 150 A HN 0.450 nan 8.150 nan 0.000 0.444 151 A N -0.358 122.434 122.820 -0.046 0.000 1.930 151 A HA -0.113 4.207 4.320 0.000 0.000 0.217 151 A C 2.227 179.798 177.584 -0.023 0.000 1.175 151 A CA 1.409 53.428 52.037 -0.031 0.000 0.627 151 A CB -0.419 18.575 19.000 -0.010 0.000 0.815 151 A HN 0.543 nan 8.150 nan 0.000 0.443 152 R N -1.047 119.455 120.500 0.002 0.000 2.083 152 R HA -0.116 4.224 4.340 0.000 0.000 0.237 152 R C 2.292 178.589 176.300 -0.006 0.000 1.137 152 R CA 1.740 57.887 56.100 0.078 0.000 0.951 152 R CB -0.384 29.901 30.300 -0.024 0.000 0.851 152 R HN 0.429 nan 8.270 nan 0.000 0.434 153 M N 0.560 120.117 119.600 -0.071 0.000 2.080 153 M HA -0.182 4.298 4.480 0.000 0.000 0.260 153 M C 2.055 178.252 176.300 -0.172 0.000 1.068 153 M CA 1.816 57.047 55.300 -0.115 0.000 1.109 153 M CB -0.837 31.720 32.600 -0.072 0.000 1.342 153 M HN 0.139 nan 8.290 nan 0.000 0.405 154 R N -0.218 120.203 120.500 -0.132 0.000 2.280 154 R HA -0.101 4.239 4.340 0.000 0.000 0.207 154 R C 1.513 177.683 176.300 -0.217 0.000 1.043 154 R CA 1.175 57.187 56.100 -0.148 0.000 1.006 154 R CB -0.494 29.753 30.300 -0.088 0.000 0.885 154 R HN 0.380 nan 8.270 nan 0.000 0.467 155 D N 0.411 120.636 120.400 -0.292 0.000 2.234 155 D HA -0.084 4.556 4.640 0.000 0.000 0.205 155 D C 1.529 177.190 176.300 -1.065 0.000 0.962 155 D CA 0.421 54.119 54.000 -0.504 0.000 0.855 155 D CB 0.323 40.848 40.800 -0.458 0.000 0.951 155 D HN 0.036 nan 8.370 nan 0.000 0.500 156 V N -0.301 118.968 119.914 -1.076 0.000 3.406 156 V HA 0.215 4.335 4.120 0.000 0.000 0.263 156 V C 2.043 177.706 176.094 -0.718 0.000 1.172 156 V CA 1.104 62.521 62.300 -1.471 0.000 1.140 156 V CB -0.235 30.764 31.823 -1.374 0.000 0.784 156 V HN 0.276 nan 8.190 nan 0.000 0.467 157 A N 0.010 122.595 122.820 -0.392 0.000 2.032 157 A HA -0.173 4.147 4.320 0.000 0.000 0.221 157 A C 2.054 179.646 177.584 0.014 0.000 1.165 157 A CA 2.068 54.025 52.037 -0.133 0.000 0.645 157 A CB -0.406 18.537 19.000 -0.095 0.000 0.807 157 A HN 0.580 nan 8.150 nan 0.000 0.453 158 L N -2.495 118.764 121.223 0.060 0.000 2.131 158 L HA -0.134 4.206 4.340 0.000 0.000 0.206 158 L C 2.573 179.783 176.870 0.566 0.000 1.087 158 L CA 0.674 55.703 54.840 0.316 0.000 0.767 158 L CB -0.498 41.772 42.059 0.353 0.000 0.917 158 L HN 0.559 nan 8.230 nan 0.000 0.441 159 W N 0.798 122.199 121.300 0.168 0.000 2.379 159 W HA -0.117 4.543 4.660 0.000 0.000 0.307 159 W C 2.684 179.459 176.519 0.427 0.000 1.200 159 W CA 0.267 57.779 57.345 0.278 0.000 1.297 159 W CB -1.245 28.141 29.460 -0.123 0.000 1.140 159 W HN 0.166 nan 8.180 nan 0.000 0.507 160 Q N 0.457 120.503 119.800 0.410 0.000 2.062 160 Q HA -0.243 4.097 4.340 0.000 0.000 0.209 160 Q C 2.306 178.527 176.000 0.369 0.000 0.996 160 Q CA 1.897 57.950 55.803 0.417 0.000 0.859 160 Q CB -0.566 28.331 28.738 0.264 0.000 0.920 160 Q HN 0.047 nan 8.270 nan 0.000 0.415 161 K N 0.449 121.015 120.400 0.277 0.000 2.020 161 K HA -0.222 4.098 4.320 0.000 0.000 0.212 161 K C 1.881 178.577 176.600 0.160 0.000 1.050 161 K CA 1.940 58.327 56.287 0.167 0.000 0.929 161 K CB -0.398 32.165 32.500 0.105 0.000 0.714 161 K HN 0.395 nan 8.250 nan 0.000 0.443 162 H N 0.126 119.319 119.070 0.205 0.000 2.319 162 H HA -0.164 4.392 4.556 0.000 0.000 0.299 162 H C 1.942 177.317 175.328 0.079 0.000 1.092 162 H CA 1.829 57.939 56.048 0.104 0.000 1.302 162 H CB -0.159 29.658 29.762 0.092 0.000 1.373 162 H HN 0.105 nan 8.280 nan 0.000 0.497 163 L N 0.928 122.415 121.223 0.439 0.000 2.013 163 L HA -0.234 4.106 4.340 0.000 0.000 0.212 163 L C 1.443 178.486 176.870 0.289 0.000 1.073 163 L CA 1.943 57.044 54.840 0.434 0.000 0.753 163 L CB -0.464 41.997 42.059 0.669 0.000 0.890 163 L HN 0.227 nan 8.230 nan 0.000 0.432 164 D N -0.768 119.786 120.400 0.257 0.000 2.133 164 D HA -0.221 4.419 4.640 0.000 0.000 0.195 164 D C 2.265 178.623 176.300 0.097 0.000 0.997 164 D CA 2.069 56.165 54.000 0.160 0.000 0.840 164 D CB -0.636 40.255 40.800 0.153 0.000 0.947 164 D HN 0.644 nan 8.370 nan 0.000 0.452 165 T N -0.978 113.627 114.554 0.084 0.000 2.708 165 T HA -0.073 4.277 4.350 0.000 0.000 0.266 165 T C 2.119 176.852 174.700 0.055 0.000 1.037 165 T CA 1.826 63.953 62.100 0.045 0.000 1.146 165 T CB -0.524 68.346 68.868 0.003 0.000 0.865 165 T HN 0.112 nan 8.240 nan 0.000 0.435 166 A N 2.779 125.641 122.820 0.070 0.000 1.873 166 A HA -0.074 4.246 4.320 0.000 0.000 0.218 166 A C 2.551 180.192 177.584 0.096 0.000 1.193 166 A CA 2.349 54.437 52.037 0.085 0.000 0.629 166 A CB -0.876 18.179 19.000 0.091 0.000 0.826 166 A HN 0.504 nan 8.150 nan 0.000 0.447 167 M N 0.339 119.981 119.600 0.071 0.000 2.358 167 M HA -0.092 4.388 4.480 0.000 0.000 0.264 167 M C 1.989 178.299 176.300 0.017 0.000 1.064 167 M CA 1.981 57.282 55.300 0.001 0.000 1.093 167 M CB -1.770 30.768 32.600 -0.103 0.000 1.401 167 M HN 0.743 nan 8.290 nan 0.000 0.440 168 T N -3.113 111.469 114.554 0.045 0.000 3.034 168 T HA 0.070 4.420 4.350 0.000 0.000 0.248 168 T C 1.728 176.475 174.700 0.079 0.000 1.040 168 T CA 0.020 62.153 62.100 0.055 0.000 1.107 168 T CB -0.204 68.689 68.868 0.041 0.000 0.932 168 T HN 0.153 nan 8.240 nan 0.000 0.474 169 M N 1.371 121.016 119.600 0.075 0.000 2.346 169 M HA 0.165 4.645 4.480 0.000 0.000 0.263 169 M C -0.035 176.330 176.300 0.107 0.000 1.064 169 M CA 1.227 56.573 55.300 0.078 0.000 1.083 169 M CB -0.913 31.721 32.600 0.057 0.000 1.399 169 M HN 0.321 nan 8.290 nan 0.000 0.435 170 L N 0.773 122.081 121.223 0.142 0.000 2.448 170 L HA 0.158 4.498 4.340 0.000 0.000 0.257 170 L C 0.092 177.110 176.870 0.247 0.000 1.504 170 L CA -0.491 54.480 54.840 0.219 0.000 0.852 170 L CB 0.853 42.982 42.059 0.118 0.000 1.051 170 L HN -0.148 nan 8.230 nan 0.000 0.518 171 T N 3.914 118.602 114.554 0.223 0.000 2.576 171 T HA 0.017 4.367 4.350 0.000 0.000 0.251 171 T C -1.321 173.459 174.700 0.133 0.000 1.050 171 T CA -0.329 61.860 62.100 0.148 0.000 1.286 171 T CB 0.267 69.191 68.868 0.093 0.000 1.028 171 T HN 0.277 nan 8.240 nan 0.000 0.509 172 P HA 0.169 nan 4.420 nan 0.000 0.286 172 P C -0.774 176.384 177.300 -0.237 0.000 1.577 172 P CA -0.055 62.906 63.100 -0.232 0.000 0.805 172 P CB -0.233 31.242 31.700 -0.375 0.000 1.706 173 D N 0.692 121.041 120.400 -0.084 0.000 2.464 173 D HA 0.273 4.913 4.640 0.000 0.000 0.243 173 D C -0.208 176.076 176.300 -0.027 0.000 1.104 173 D CA -0.165 53.792 54.000 -0.072 0.000 0.883 173 D CB 0.782 41.557 40.800 -0.042 0.000 1.050 173 D HN -0.011 nan 8.370 nan 0.000 0.524 174 I N 2.693 123.228 120.570 -0.060 0.000 2.428 174 I HA 0.059 4.229 4.170 0.000 0.000 0.279 174 I C 1.433 177.532 176.117 -0.030 0.000 1.040 174 I CA -0.263 61.025 61.300 -0.020 0.000 1.171 174 I CB 1.031 39.026 38.000 -0.009 0.000 1.312 174 I HN 0.302 nan 8.210 nan 0.000 0.470 175 S N 3.942 119.635 115.700 -0.013 0.000 2.469 175 S HA 0.095 4.565 4.470 0.000 0.000 0.238 175 S C 0.883 175.481 174.600 -0.004 0.000 0.998 175 S CA 0.360 58.555 58.200 -0.007 0.000 0.957 175 S CB 0.122 63.322 63.200 -0.001 0.000 0.764 175 S HN 0.670 nan 8.310 nan 0.000 0.514 176 A N -0.082 122.735 122.820 -0.004 0.000 2.530 176 A HA 0.704 5.024 4.320 0.000 0.000 0.279 176 A C 0.718 178.301 177.584 -0.001 0.000 1.109 176 A CA -0.210 51.826 52.037 -0.002 0.000 0.763 176 A CB 0.351 19.351 19.000 0.001 0.000 1.257 176 A HN 1.358 nan 8.150 nan 0.000 0.424 177 G N 1.516 110.312 108.800 -0.006 0.000 2.650 177 G HA2 0.223 4.183 3.960 0.000 0.000 0.264 177 G HA3 0.223 4.183 3.960 0.000 0.000 0.264 177 G C 0.231 175.121 174.900 -0.017 0.000 1.263 177 G CA 0.352 45.448 45.100 -0.007 0.000 0.960 177 G HN 2.659 nan 8.290 nan 0.000 0.548 178 S N -0.883 114.813 115.700 -0.007 0.000 2.563 178 S HA 0.877 5.347 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 1.397 64.586 63.200 -0.018 0.000 1.107 178 S HN 2.472 nan 8.310 nan 0.000 0.462 179 A N 1.373 124.199 122.820 0.009 0.000 2.380 179 A HA 0.970 5.290 4.320 0.000 0.000 0.315 179 A C -0.310 177.287 177.584 0.023 0.000 1.101 179 A CA -0.865 51.233 52.037 0.102 0.000 0.771 179 A CB 1.996 21.175 19.000 0.297 0.000 1.287 179 A HN 1.212 nan 8.150 nan 0.000 0.436 180 S N -0.745 115.035 115.700 0.134 0.000 2.546 180 S HA 0.659 5.129 4.470 0.000 0.000 0.272 180 S C -1.365 173.354 174.600 0.198 0.000 1.140 180 S CA -0.266 58.012 58.200 0.131 0.000 0.920 180 S CB 1.258 64.496 63.200 0.063 0.000 1.083 180 S HN 1.811 nan 8.310 nan 0.000 0.476 181 C N 3.945 123.357 119.300 0.187 0.000 3.285 181 C HA 0.581 5.041 4.460 0.000 0.000 0.325 181 C C -0.871 174.065 174.990 -0.089 0.000 1.304 181 C CA -0.842 58.171 59.018 -0.008 0.000 1.319 181 C CB 1.223 28.826 27.740 -0.229 0.000 1.640 181 C HN 0.974 nan 8.230 nan 0.000 0.477 182 N N 2.257 120.909 118.700 -0.079 0.000 2.394 182 N HA -0.033 4.707 4.740 0.000 0.000 0.277 182 N C 0.816 176.305 175.510 -0.034 0.000 1.346 182 N CA 0.372 53.399 53.050 -0.039 0.000 0.910 182 N CB 0.128 38.584 38.487 -0.052 0.000 1.201 182 N HN 0.891 nan 8.380 nan 0.000 0.488 183 W N 3.792 124.999 121.300 -0.155 0.000 2.363 183 W HA -0.202 4.458 4.660 0.000 0.000 0.296 183 W C 1.625 178.061 176.519 -0.139 0.000 1.212 183 W CA 0.224 57.487 57.345 -0.136 0.000 1.260 183 W CB 0.259 29.753 29.460 0.057 0.000 1.131 183 W HN 0.591 nan 8.180 nan 0.000 0.530 184 K N -0.002 120.424 120.400 0.043 0.000 2.020 184 K HA -0.222 4.098 4.320 0.000 0.000 0.212 184 K C 1.995 178.455 176.600 -0.233 0.000 1.050 184 K CA 2.067 58.275 56.287 -0.133 0.000 0.929 184 K CB -0.860 31.567 32.500 -0.123 0.000 0.714 184 K HN -0.016 nan 8.250 nan 0.000 0.443 185 S N 1.635 117.198 115.700 -0.228 0.000 2.368 185 S HA -0.188 4.282 4.470 0.000 0.000 0.226 185 S C 2.067 176.533 174.600 -0.223 0.000 1.044 185 S CA 1.512 59.533 58.200 -0.298 0.000 1.062 185 S CB -0.459 62.613 63.200 -0.213 0.000 0.931 185 S HN 0.161 nan 8.310 nan 0.000 0.440 186 L N 1.090 122.227 121.223 -0.143 0.000 1.970 186 L HA -0.145 4.195 4.340 0.000 0.000 0.212 186 L C 2.367 179.230 176.870 -0.011 0.000 1.071 186 L CA 1.278 56.067 54.840 -0.084 0.000 0.751 186 L CB -0.800 41.139 42.059 -0.200 0.000 0.889 186 L HN 0.263 nan 8.230 nan 0.000 0.432 187 L N -0.381 120.805 121.223 -0.062 0.000 2.051 187 L HA -0.285 4.055 4.340 0.000 0.000 0.214 187 L C 2.791 179.600 176.870 -0.101 0.000 1.076 187 L CA 1.479 56.212 54.840 -0.178 0.000 0.758 187 L CB -0.904 40.914 42.059 -0.401 0.000 0.890 187 L HN 0.323 nan 8.230 nan 0.000 0.433 188 A N -0.948 121.780 122.820 -0.153 0.000 1.929 188 A HA -0.149 4.171 4.320 0.000 0.000 0.216 188 A C 2.233 179.933 177.584 0.192 0.000 1.176 188 A CA 0.948 52.952 52.037 -0.056 0.000 0.628 188 A CB -0.724 18.147 19.000 -0.215 0.000 0.816 188 A HN 0.370 nan 8.150 nan 0.000 0.444 189 F N 0.330 120.173 119.950 -0.179 0.000 2.186 189 F HA -0.138 4.389 4.527 0.000 0.000 0.299 189 F C 2.737 178.607 175.800 0.116 0.000 1.090 189 F CA 0.468 58.542 58.000 0.124 0.000 1.307 189 F CB 0.024 39.034 39.000 0.017 0.000 1.019 189 F HN 0.337 nan 8.300 nan 0.000 0.489 190 A N 0.469 123.406 122.820 0.195 0.000 1.884 190 A HA -0.300 4.020 4.320 0.000 0.000 0.219 190 A C 2.008 179.665 177.584 0.121 0.000 1.197 190 A CA 2.192 54.292 52.037 0.105 0.000 0.637 190 A CB -0.715 18.321 19.000 0.061 0.000 0.827 190 A HN 0.378 nan 8.150 nan 0.000 0.450 191 K N -1.163 119.313 120.400 0.127 0.000 2.432 191 K HA -0.061 4.259 4.320 0.000 0.000 0.196 191 K C 1.227 177.907 176.600 0.133 0.000 1.038 191 K CA 1.000 57.348 56.287 0.101 0.000 0.986 191 K CB -0.036 32.504 32.500 0.066 0.000 0.782 191 K HN 0.556 nan 8.250 nan 0.000 0.485 192 D N 0.232 120.772 120.400 0.233 0.000 2.305 192 D HA -0.029 4.611 4.640 0.000 0.000 0.206 192 D C 1.369 177.784 176.300 0.192 0.000 0.974 192 D CA 0.662 54.788 54.000 0.210 0.000 0.871 192 D CB 0.422 41.391 40.800 0.281 0.000 0.947 192 D HN -0.041 nan 8.370 nan 0.000 0.516 193 I N 0.195 120.897 120.570 0.220 0.000 3.445 193 I HA 0.142 4.312 4.170 0.000 0.000 0.288 193 I C 0.872 177.041 176.117 0.086 0.000 1.198 193 I CA 0.088 61.481 61.300 0.154 0.000 1.417 193 I CB -0.882 37.201 38.000 0.138 0.000 1.205 193 I HN -0.009 nan 8.210 nan 0.000 0.448 194 L N 3.179 124.445 121.223 0.071 0.000 2.485 194 L HA 0.062 4.402 4.340 0.000 0.000 0.275 194 L C -1.926 174.962 176.870 0.030 0.000 1.207 194 L CA -1.189 53.676 54.840 0.042 0.000 0.855 194 L CB -0.278 41.799 42.059 0.031 0.000 1.114 194 L HN -0.091 nan 8.230 nan 0.000 0.485 195 P HA 0.050 nan 4.420 nan 0.000 0.267 195 P C 0.678 177.985 177.300 0.012 0.000 1.209 195 P CA -0.111 63.001 63.100 0.021 0.000 0.763 195 P CB 0.668 32.383 31.700 0.024 0.000 0.816 196 L N 2.364 123.590 121.223 0.005 0.000 2.051 196 L HA -0.252 4.088 4.340 0.000 0.000 0.214 196 L C 1.659 178.522 176.870 -0.012 0.000 1.076 196 L CA 1.757 56.592 54.840 -0.010 0.000 0.758 196 L CB -0.616 41.437 42.059 -0.010 0.000 0.890 196 L HN 0.462 nan 8.230 nan 0.000 0.433 197 D N -0.413 119.993 120.400 0.011 0.000 2.351 197 D HA -0.094 4.546 4.640 0.000 0.000 0.216 197 D C 0.463 176.804 176.300 0.069 0.000 0.968 197 D CA 0.476 54.494 54.000 0.030 0.000 0.899 197 D CB -0.535 40.291 40.800 0.043 0.000 0.907 197 D HN 0.425 nan 8.370 nan 0.000 0.514 198 N N 0.680 119.425 118.700 0.076 0.000 2.407 198 N HA -0.002 4.738 4.740 0.000 0.000 0.250 198 N C 1.373 176.811 175.510 -0.119 0.000 1.236 198 N CA -0.041 53.084 53.050 0.125 0.000 0.879 198 N CB 0.792 39.338 38.487 0.098 0.000 1.088 198 N HN 0.011 nan 8.380 nan 0.000 0.450 199 L N 0.475 121.436 121.223 -0.437 0.000 2.191 199 L HA -0.216 4.124 4.340 0.000 0.000 0.212 199 L C 1.743 178.414 176.870 -0.331 0.000 1.103 199 L CA 0.721 55.287 54.840 -0.456 0.000 0.769 199 L CB -0.353 41.401 42.059 -0.509 0.000 0.908 199 L HN 0.711 nan 8.230 nan 0.000 0.438 200 C N -0.273 118.705 119.300 -0.537 0.000 2.413 200 C HA -0.147 4.313 4.460 0.000 0.000 0.277 200 C C 2.568 177.424 174.990 -0.223 0.000 1.265 200 C CA 0.345 59.044 59.018 -0.532 0.000 1.752 200 C CB -0.774 26.680 27.740 -0.477 0.000 1.998 200 C HN 0.414 nan 8.230 nan 0.000 0.489 201 L N 1.275 122.378 121.223 -0.200 0.000 2.313 201 L HA -0.044 4.296 4.340 0.000 0.000 0.214 201 L C 2.723 179.452 176.870 -0.235 0.000 1.119 201 L CA 1.976 56.718 54.840 -0.164 0.000 0.809 201 L CB -1.073 40.918 42.059 -0.113 0.000 0.933 201 L HN 0.498 nan 8.230 nan 0.000 0.449 202 T N -3.784 110.513 114.554 -0.427 0.000 2.851 202 T HA -0.158 4.192 4.350 0.000 0.000 0.262 202 T C 1.098 175.337 174.700 -0.768 0.000 1.043 202 T CA 0.975 62.631 62.100 -0.739 0.000 1.140 202 T CB -0.512 67.602 68.868 -1.257 0.000 0.872 202 T HN 0.283 nan 8.240 nan 0.000 0.446 203 Y N 1.772 122.128 120.300 0.093 0.000 2.781 203 Y HA 0.348 4.898 4.550 0.000 0.000 0.326 203 Y C -1.714 174.341 175.900 0.259 0.000 1.019 203 Y CA -2.733 55.463 58.100 0.160 0.000 1.372 203 Y CB 0.391 38.921 38.460 0.117 0.000 1.260 203 Y HN 0.234 nan 8.280 nan 0.000 0.546 204 P HA -0.218 nan 4.420 nan 0.000 0.214 204 P C 1.043 178.447 177.300 0.174 0.000 1.163 204 P CA 1.692 64.867 63.100 0.125 0.000 0.889 204 P CB 0.353 32.048 31.700 -0.008 0.000 0.790 205 N N -1.065 117.685 118.700 0.083 0.000 2.036 205 N HA -0.197 4.543 4.740 0.000 0.000 0.195 205 N C 1.749 177.296 175.510 0.061 0.000 1.037 205 N CA 1.413 54.473 53.050 0.016 0.000 0.855 205 N CB -0.326 38.128 38.487 -0.055 0.000 1.033 205 N HN 0.079 nan 8.380 nan 0.000 0.423 206 E N -0.050 120.202 120.200 0.086 0.000 2.031 206 E HA -0.169 4.181 4.350 0.000 0.000 0.193 206 E C 2.017 178.714 176.600 0.162 0.000 0.994 206 E CA 1.005 57.433 56.400 0.047 0.000 0.800 206 E CB -0.537 29.100 29.700 -0.105 0.000 0.752 206 E HN 0.456 nan 8.360 nan 0.000 0.447 207 F N -0.011 120.060 119.950 0.201 0.000 2.126 207 F HA -0.259 4.268 4.527 0.000 0.000 0.299 207 F C 2.505 178.478 175.800 0.290 0.000 1.096 207 F CA 1.329 59.488 58.000 0.266 0.000 1.255 207 F CB -0.431 38.712 39.000 0.239 0.000 0.997 207 F HN 0.080 nan 8.300 nan 0.000 0.479 208 Y N 0.868 121.365 120.300 0.327 0.000 2.145 208 Y HA -0.331 4.219 4.550 0.000 0.000 0.286 208 Y C 2.369 178.399 175.900 0.216 0.000 1.145 208 Y CA 2.039 60.287 58.100 0.247 0.000 1.148 208 Y CB -0.692 37.865 38.460 0.163 0.000 0.981 208 Y HN 0.033 nan 8.280 nan 0.000 0.507 209 N N -0.341 118.536 118.700 0.295 0.000 2.036 209 N HA -0.229 4.511 4.740 0.000 0.000 0.195 209 N C 1.685 177.071 175.510 -0.207 0.000 1.037 209 N CA 2.335 55.399 53.050 0.024 0.000 0.855 209 N CB -0.510 37.934 38.487 -0.072 0.000 1.033 209 N HN 0.233 nan 8.380 nan 0.000 0.423 210 V N 0.773 120.698 119.914 0.018 0.000 2.233 210 V HA -0.258 3.862 4.120 0.000 0.000 0.247 210 V C 2.422 178.510 176.094 -0.009 0.000 1.050 210 V CA 2.019 64.336 62.300 0.029 0.000 1.010 210 V CB -1.442 30.400 31.823 0.032 0.000 0.637 210 V HN 0.499 nan 8.190 nan 0.000 0.444 211 A N 0.181 123.090 122.820 0.148 0.000 1.896 211 A HA -0.302 4.018 4.320 0.000 0.000 0.220 211 A C 2.124 179.749 177.584 0.069 0.000 1.206 211 A CA 2.683 54.869 52.037 0.248 0.000 0.647 211 A CB -0.807 18.443 19.000 0.417 0.000 0.828 211 A HN 0.479 nan 8.150 nan 0.000 0.455 212 I N -0.770 119.764 120.570 -0.061 0.000 2.264 212 I HA -0.238 3.932 4.170 0.000 0.000 0.248 212 I C 2.227 178.318 176.117 -0.043 0.000 1.111 212 I CA 1.501 62.744 61.300 -0.096 0.000 1.382 212 I CB -0.481 37.428 38.000 -0.152 0.000 1.060 212 I HN 0.395 nan 8.210 nan 0.000 0.418 213 H N -0.652 118.368 119.070 -0.084 0.000 2.495 213 H HA 0.032 4.588 4.556 0.000 0.000 0.287 213 H C 2.306 177.491 175.328 -0.238 0.000 1.033 213 H CA 0.968 56.944 56.048 -0.121 0.000 1.307 213 H CB -0.055 29.637 29.762 -0.117 0.000 1.401 213 H HN 0.313 nan 8.280 nan 0.000 0.555 214 R N -0.316 119.996 120.500 -0.314 0.000 2.146 214 R HA 0.024 4.364 4.340 0.000 0.000 0.206 214 R C -0.137 175.768 176.300 -0.658 0.000 1.049 214 R CA 0.245 55.972 56.100 -0.621 0.000 1.029 214 R CB 0.478 30.231 30.300 -0.911 0.000 0.949 214 R HN 0.131 nan 8.270 nan 0.000 0.471 215 Y N 0.343 120.610 120.300 -0.056 0.000 2.700 215 Y HA 0.327 4.877 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 -2.754 55.276 58.100 -0.117 0.000 1.287 215 Y CB 1.366 39.763 38.460 -0.106 0.000 1.132 215 Y HN 0.075 nan 8.280 nan 0.000 0.510 216 P HA -0.236 nan 4.420 nan 0.000 0.219 216 P C 1.462 178.399 177.300 -0.605 0.000 1.146 216 P CA 1.642 64.346 63.100 -0.659 0.000 0.808 216 P CB 0.315 31.616 31.700 -0.665 0.000 0.779 217 A N -1.354 121.279 122.820 -0.311 0.000 2.186 217 A HA -0.087 4.233 4.320 0.000 0.000 0.219 217 A C 0.870 178.269 177.584 -0.308 0.000 1.159 217 A CA 1.130 52.999 52.037 -0.280 0.000 0.680 217 A CB -1.003 17.844 19.000 -0.255 0.000 0.787 217 A HN 0.185 nan 8.150 nan 0.000 0.467 218 L N -1.116 119.976 121.223 -0.218 0.000 2.386 218 L HA 0.564 4.904 4.340 0.000 0.000 0.271 218 L C -0.641 176.223 176.870 -0.010 0.000 0.993 218 L CA -0.952 53.801 54.840 -0.145 0.000 0.819 218 L CB 2.141 44.177 42.059 -0.039 0.000 1.294 218 L HN -0.116 nan 8.230 nan 0.000 0.414 219 K N 3.047 123.517 120.400 0.117 0.000 2.259 219 K HA 0.533 4.853 4.320 0.000 0.000 0.249 219 K C -2.528 174.155 176.600 0.139 0.000 0.942 219 K CA -1.900 54.458 56.287 0.118 0.000 0.816 219 K CB 1.730 34.297 32.500 0.111 0.000 1.155 219 K HN 0.182 nan 8.250 nan 0.000 0.428 220 P HA -0.040 nan 4.420 nan 0.000 0.265 220 P C 0.556 177.822 177.300 -0.056 0.000 1.193 220 P CA 0.224 63.171 63.100 -0.254 0.000 0.765 220 P CB 0.769 31.796 31.700 -1.121 0.000 0.823 221 G N 4.226 113.074 108.800 0.080 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 0.806 175.704 174.900 -0.003 0.000 0.867 221 G CA 1.548 46.653 45.100 0.009 0.000 0.718 221 G HN 0.780 nan 8.290 nan 0.000 1.461 222 N N 1.236 119.940 118.700 0.007 0.000 2.291 222 N HA 0.155 4.895 4.740 0.000 0.000 0.244 222 N C -1.082 174.443 175.510 0.025 0.000 1.216 222 N CA 0.016 53.073 53.050 0.013 0.000 0.879 222 N CB 0.625 39.120 38.487 0.014 0.000 1.167 222 N HN 0.319 nan 8.380 nan 0.000 0.515 223 P HA -0.102 nan 4.420 nan 0.000 0.216 223 P C -0.545 176.786 177.300 0.052 0.000 1.157 223 P CA 1.494 64.637 63.100 0.071 0.000 0.880 223 P CB 0.161 31.898 31.700 0.061 0.000 0.791 224 D N -1.086 119.328 120.400 0.023 0.000 2.420 224 D HA 0.127 4.767 4.640 0.000 0.000 0.255 224 D C 0.630 176.936 176.300 0.010 0.000 1.185 224 D CA -0.208 53.803 54.000 0.018 0.000 0.904 224 D CB 1.169 41.978 40.800 0.016 0.000 1.102 224 D HN -0.105 nan 8.370 nan 0.000 0.534 225 T N 1.261 115.822 114.554 0.012 0.000 2.869 225 T HA -0.206 4.144 4.350 0.000 0.000 0.270 225 T C 1.811 176.517 174.700 0.009 0.000 1.082 225 T CA 1.261 63.367 62.100 0.010 0.000 1.123 225 T CB 0.211 69.085 68.868 0.010 0.000 0.856 225 T HN 0.372 nan 8.240 nan 0.000 0.499 226 K N 0.495 120.900 120.400 0.008 0.000 2.032 226 K HA -0.100 4.220 4.320 0.000 0.000 0.218 226 K C 0.543 177.147 176.600 0.005 0.000 1.054 226 K CA 1.120 57.411 56.287 0.007 0.000 0.941 226 K CB -0.174 32.330 32.500 0.006 0.000 0.720 226 K HN 0.309 nan 8.250 nan 0.000 0.449 227 L N 0.490 121.716 121.223 0.004 0.000 2.490 227 L HA 0.223 4.563 4.340 0.000 0.000 0.256 227 L C -2.102 174.765 176.870 -0.005 0.000 1.089 227 L CA -1.195 53.645 54.840 -0.000 0.000 0.916 227 L CB 1.943 43.999 42.059 -0.004 0.000 1.188 227 L HN 0.045 nan 8.230 nan 0.000 0.476 228 P HA 0.058 nan 4.420 nan 0.000 0.228 228 P C -0.210 177.087 177.300 -0.006 0.000 1.166 228 P CA 0.520 63.611 63.100 -0.014 0.000 0.812 228 P CB 0.736 32.438 31.700 0.004 0.000 0.857 229 D N 0.311 120.718 120.400 0.012 0.000 2.181 229 D HA 0.525 5.165 4.640 0.000 0.000 0.248 229 D C -0.252 176.051 176.300 0.005 0.000 1.020 229 D CA -0.164 53.853 54.000 0.029 0.000 0.891 229 D CB 2.477 43.297 40.800 0.034 0.000 1.187 229 D HN 0.028 nan 8.370 nan 0.000 0.443 230 A N 0.996 123.821 122.820 0.008 0.000 2.594 230 A HA 0.327 4.647 4.320 0.000 0.000 0.291 230 A C 0.084 177.585 177.584 -0.137 0.000 1.105 230 A CA -0.463 51.518 52.037 -0.093 0.000 0.694 230 A CB 2.185 21.066 19.000 -0.197 0.000 1.291 230 A HN 0.349 nan 8.150 nan 0.000 0.410 231 Q N -0.411 119.269 119.800 -0.201 0.000 2.396 231 Q HA 0.268 4.609 4.340 0.000 0.000 0.220 231 Q C 0.650 176.465 176.000 -0.308 0.000 0.900 231 Q CA 1.019 56.730 55.803 -0.152 0.000 0.925 231 Q CB 0.723 29.434 28.738 -0.044 0.000 1.065 231 Q HN 0.861 nan 8.270 nan 0.000 0.535 232 A N 1.500 124.073 122.820 -0.411 0.000 2.274 232 A HA 0.495 4.815 4.320 0.000 0.000 0.309 232 A C -0.369 176.852 177.584 -0.604 0.000 1.226 232 A CA -0.369 51.440 52.037 -0.380 0.000 0.853 232 A CB 0.300 19.186 19.000 -0.191 0.000 1.146 232 A HN 0.157 nan 8.150 nan 0.000 0.518 233 H N 1.697 120.752 119.070 -0.024 0.000 3.878 233 H HA 0.477 5.033 4.556 0.000 0.000 0.332 233 H C -1.945 173.363 175.328 -0.034 0.000 1.613 233 H CA -1.297 54.740 56.048 -0.018 0.000 1.413 233 H CB -0.438 29.310 29.762 -0.023 0.000 1.066 233 H HN 0.428 nan 8.280 nan 0.000 0.797 234 P HA 0.049 nan 4.420 nan 0.000 0.342 234 P C 1.124 178.422 177.300 -0.004 0.000 1.384 234 P CA -0.425 62.669 63.100 -0.010 0.000 0.837 234 P CB 0.626 32.291 31.700 -0.059 0.000 2.025 235 L N -0.277 120.932 121.223 -0.024 0.000 2.044 235 L HA 0.027 4.367 4.340 0.000 0.000 0.205 235 L C 2.155 179.031 176.870 0.011 0.000 1.075 235 L CA 2.426 57.264 54.840 -0.002 0.000 0.747 235 L CB -1.771 40.294 42.059 0.010 0.000 0.903 235 L HN 0.467 nan 8.230 nan 0.000 0.435 236 G N -0.565 108.236 108.800 0.002 0.000 3.376 236 G HA2 -0.534 3.426 3.960 0.000 0.000 0.310 236 G HA3 -0.534 3.426 3.960 0.000 0.000 0.310 236 G C 1.225 176.132 174.900 0.013 0.000 1.137 236 G CA 1.565 46.665 45.100 -0.000 0.000 1.061 236 G HN 0.478 nan 8.290 nan 0.000 1.152 237 E N -0.704 119.500 120.200 0.008 0.000 2.689 237 E HA -0.344 4.006 4.350 0.000 0.000 0.247 237 E C 2.305 178.889 176.600 -0.026 0.000 1.031 237 E CA 2.351 58.750 56.400 -0.001 0.000 1.400 237 E CB -1.247 28.462 29.700 0.015 0.000 1.296 237 E HN 0.510 nan 8.360 nan 0.000 0.475 238 V N 0.426 120.329 119.914 -0.018 0.000 2.215 238 V HA -0.364 3.756 4.120 0.000 0.000 0.249 238 V C 2.110 178.224 176.094 0.032 0.000 1.054 238 V CA 3.037 65.317 62.300 -0.033 0.000 1.012 238 V CB -0.886 30.957 31.823 0.034 0.000 0.639 238 V HN 0.503 nan 8.190 nan 0.000 0.448 239 A N -0.445 122.458 122.820 0.139 0.000 2.032 239 A HA -0.102 4.218 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 2.123 54.295 52.037 0.226 0.000 0.645 239 A CB -1.362 17.724 19.000 0.144 0.000 0.807 239 A HN 0.813 nan 8.150 nan 0.000 0.453 240 G N -0.701 108.144 108.800 0.077 0.000 2.394 240 G HA2 0.064 4.024 3.960 0.000 0.000 0.215 240 G HA3 0.064 4.024 3.960 0.000 0.000 0.215 240 G C 1.733 176.647 174.900 0.023 0.000 1.165 240 G CA 1.171 46.297 45.100 0.043 0.000 0.784 240 G HN 0.796 nan 8.290 nan 0.000 0.535 241 A N 0.658 123.442 122.820 -0.061 0.000 1.948 241 A HA 0.017 4.337 4.320 0.000 0.000 0.220 241 A C 2.099 179.645 177.584 -0.062 0.000 1.177 241 A CA 1.532 53.483 52.037 -0.145 0.000 0.636 241 A CB -0.587 18.223 19.000 -0.316 0.000 0.815 241 A HN 0.313 nan 8.150 nan 0.000 0.449 242 F N 0.606 120.557 119.950 0.002 0.000 2.293 242 F HA -0.086 4.441 4.527 0.000 0.000 0.300 242 F C 2.119 177.920 175.800 0.003 0.000 1.086 242 F CA 1.123 59.125 58.000 0.003 0.000 1.375 242 F CB -0.423 38.580 39.000 0.005 0.000 1.045 242 F HN 0.285 nan 8.300 nan 0.000 0.516 243 N N 0.234 119.049 118.700 0.192 0.000 2.463 243 N HA 0.108 4.848 4.740 0.000 0.000 0.181 243 N C 0.596 176.145 175.510 0.065 0.000 1.078 243 N CA 0.441 53.552 53.050 0.102 0.000 0.902 243 N CB 0.093 38.627 38.487 0.078 0.000 0.970 243 N HN 0.101 nan 8.380 nan 0.000 0.451 244 A N 1.168 124.021 122.820 0.055 0.000 2.320 244 A HA 0.572 4.892 4.320 0.000 0.000 0.287 244 A C 0.370 177.970 177.584 0.027 0.000 1.181 244 A CA -0.542 51.511 52.037 0.026 0.000 0.831 244 A CB 0.338 19.339 19.000 0.002 0.000 1.102 244 A HN 0.214 nan 8.150 nan 0.000 0.513 245 A N 3.233 126.064 122.820 0.019 0.000 2.566 245 A HA 0.468 4.788 4.320 0.000 0.000 0.245 245 A C 1.005 178.597 177.584 0.013 0.000 1.056 245 A CA 0.847 52.895 52.037 0.017 0.000 0.757 245 A CB -0.549 18.458 19.000 0.011 0.000 0.979 245 A HN 1.539 nan 8.150 nan 0.000 0.508 246 T N -0.380 114.184 114.554 0.017 0.000 2.948 246 T HA 0.469 4.819 4.350 0.000 0.000 0.285 246 T C 1.378 176.084 174.700 0.011 0.000 1.019 246 T CA -0.001 62.108 62.100 0.014 0.000 1.013 246 T CB 1.043 69.923 68.868 0.021 0.000 1.117 246 T HN 1.212 nan 8.240 nan 0.000 0.533 247 S N 0.811 116.515 115.700 0.008 0.000 2.421 247 S HA -0.275 4.195 4.470 0.000 0.000 0.239 247 S C 1.163 175.767 174.600 0.007 0.000 1.054 247 S CA 1.954 60.158 58.200 0.006 0.000 1.035 247 S CB -0.716 62.486 63.200 0.004 0.000 0.840 247 S HN 0.885 nan 8.310 nan 0.000 0.475 248 E N -0.787 119.419 120.200 0.010 0.000 2.441 248 E HA 0.460 4.810 4.350 0.000 0.000 0.212 248 E C -0.246 176.362 176.600 0.013 0.000 0.840 248 E CA -0.048 56.359 56.400 0.011 0.000 1.143 248 E CB 0.844 30.550 29.700 0.010 0.000 1.153 248 E HN 0.271 nan 8.360 nan 0.000 0.539 249 V N 0.683 120.607 119.914 0.017 0.000 2.628 249 V HA 0.540 4.660 4.120 0.000 0.000 0.306 249 V C 1.073 177.179 176.094 0.020 0.000 1.045 249 V CA -0.210 62.102 62.300 0.020 0.000 0.905 249 V CB 1.605 33.442 31.823 0.024 0.000 0.997 249 V HN 0.302 nan 8.190 nan 0.000 0.436 250 G N 3.494 112.305 108.800 0.018 0.000 2.887 250 G HA2 -0.124 3.836 3.960 0.000 0.000 0.189 250 G HA3 -0.124 3.836 3.960 0.000 0.000 0.189 250 G C 0.613 175.529 174.900 0.027 0.000 1.467 250 G CA 1.015 46.126 45.100 0.019 0.000 0.818 250 G HN 0.922 nan 8.290 nan 0.000 0.641 251 S N -0.812 114.905 115.700 0.027 0.000 2.449 251 S HA 0.438 4.908 4.470 0.000 0.000 0.310 251 S C 1.243 175.865 174.600 0.035 0.000 1.096 251 S CA -0.779 57.443 58.200 0.037 0.000 1.095 251 S CB 1.348 64.567 63.200 0.031 0.000 1.007 251 S HN 0.224 nan 8.310 nan 0.000 0.474 252 L N 5.770 127.025 121.223 0.053 0.000 1.989 252 L HA -0.114 4.226 4.340 0.000 0.000 0.211 252 L C 2.854 179.723 176.870 -0.002 0.000 1.071 252 L CA 2.243 57.109 54.840 0.042 0.000 0.749 252 L CB -1.135 40.983 42.059 0.098 0.000 0.890 252 L HN 0.811 nan 8.230 nan 0.000 0.431 253 V N -2.135 117.772 119.914 -0.012 0.000 2.324 253 V HA -0.184 3.936 4.120 0.000 0.000 0.250 253 V C 2.349 178.431 176.094 -0.020 0.000 1.060 253 V CA 1.900 64.176 62.300 -0.040 0.000 1.042 253 V CB -1.932 29.865 31.823 -0.044 0.000 0.650 253 V HN 0.397 nan 8.190 nan 0.000 0.450 254 G N 1.283 110.082 108.800 -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 1.889 176.790 174.900 0.000 0.000 1.267 254 G CA 2.625 47.726 45.100 0.003 0.000 0.799 254 G HN 0.949 nan 8.290 nan 0.000 0.606 255 S N 0.060 115.762 115.700 0.004 0.000 2.387 255 S HA -0.185 4.285 4.470 0.000 0.000 0.230 255 S C 2.415 177.015 174.600 -0.001 0.000 1.035 255 S CA 2.050 60.253 58.200 0.005 0.000 1.014 255 S CB -0.667 62.539 63.200 0.010 0.000 0.836 255 S HN 0.413 nan 8.310 nan 0.000 0.466 256 S N 1.461 117.156 115.700 -0.009 0.000 2.348 256 S HA -0.104 4.366 4.470 0.000 0.000 0.221 256 S C 2.127 176.716 174.600 -0.017 0.000 1.033 256 S CA 1.582 59.771 58.200 -0.018 0.000 1.010 256 S CB -0.967 62.210 63.200 -0.037 0.000 0.891 256 S HN 0.638 nan 8.310 nan 0.000 0.442 257 S N 0.938 116.627 115.700 -0.019 0.000 2.359 257 S HA -0.128 4.342 4.470 0.000 0.000 0.223 257 S C 2.034 176.631 174.600 -0.006 0.000 1.039 257 S CA 1.951 60.143 58.200 -0.014 0.000 1.042 257 S CB -1.176 62.016 63.200 -0.014 0.000 0.915 257 S HN 0.741 nan 8.310 nan 0.000 0.439 258 T N 3.285 117.838 114.554 -0.002 0.000 2.580 258 T HA -0.124 4.226 4.350 0.000 0.000 0.265 258 T C 1.837 176.540 174.700 0.005 0.000 1.063 258 T CA 1.621 63.723 62.100 0.004 0.000 1.170 258 T CB -0.820 68.052 68.868 0.006 0.000 0.863 258 T HN 0.236 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 -0.152 4.188 4.340 0.000 0.000 0.212 259 L C 2.936 179.809 176.870 0.005 0.000 1.075 259 L CA 1.238 56.082 54.840 0.007 0.000 0.752 259 L CB -0.734 41.328 42.059 0.006 0.000 0.891 259 L HN 0.224 nan 8.230 nan 0.000 0.432 260 S N -0.820 114.880 115.700 -0.001 0.000 2.368 260 S HA -0.223 4.247 4.470 0.000 0.000 0.225 260 S C 1.955 176.555 174.600 -0.001 0.000 1.030 260 S CA 1.194 59.392 58.200 -0.003 0.000 0.999 260 S CB -0.235 62.959 63.200 -0.010 0.000 0.844 260 S HN 0.463 nan 8.310 nan 0.000 0.459 261 Q N 0.806 120.606 119.800 0.001 0.000 2.112 261 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 261 Q C 2.509 178.514 176.000 0.008 0.000 0.987 261 Q CA 1.482 57.287 55.803 0.004 0.000 0.858 261 Q CB -0.417 28.324 28.738 0.005 0.000 0.905 261 Q HN 0.611 nan 8.270 nan 0.000 0.420 262 A N 1.195 124.021 122.820 0.011 0.000 1.858 262 A HA -0.202 4.118 4.320 0.000 0.000 0.216 262 A C 2.079 179.672 177.584 0.015 0.000 1.190 262 A CA 1.338 53.385 52.037 0.016 0.000 0.617 262 A CB -0.786 18.226 19.000 0.020 0.000 0.827 262 A HN 0.297 nan 8.150 nan 0.000 0.443 263 I N 0.792 121.369 120.570 0.011 0.000 2.074 263 I HA -0.375 3.795 4.170 0.000 0.000 0.238 263 I C 2.949 179.068 176.117 0.003 0.000 1.037 263 I CA 2.204 63.508 61.300 0.007 0.000 1.301 263 I CB -0.491 37.511 38.000 0.004 0.000 1.016 263 I HN 0.534 nan 8.210 nan 0.000 0.400 264 S N 0.072 115.772 115.700 0.001 0.000 2.419 264 S HA -0.195 4.275 4.470 0.000 0.000 0.233 264 S C 2.035 176.633 174.600 -0.003 0.000 1.016 264 S CA 1.561 59.760 58.200 -0.002 0.000 0.974 264 S CB -1.256 61.942 63.200 -0.003 0.000 0.786 264 S HN 0.641 nan 8.310 nan 0.000 0.492 265 T N -0.456 114.100 114.554 0.003 0.000 2.821 265 T HA -0.006 4.344 4.350 0.000 0.000 0.267 265 T C 1.723 176.426 174.700 0.004 0.000 1.046 265 T CA 1.309 63.412 62.100 0.006 0.000 1.139 265 T CB -0.566 68.312 68.868 0.017 0.000 0.871 265 T HN 0.240 nan 8.240 nan 0.000 0.454 266 M N 2.181 121.785 119.600 0.007 0.000 2.108 266 M HA 0.165 4.645 4.480 0.000 0.000 0.261 266 M C 2.672 178.966 176.300 -0.011 0.000 1.066 266 M CA 1.354 56.656 55.300 0.004 0.000 1.107 266 M CB -1.180 31.426 32.600 0.009 0.000 1.356 266 M HN 0.446 nan 8.290 nan 0.000 0.406 267 A N -0.667 122.146 122.820 -0.012 0.000 1.892 267 A HA -0.110 4.210 4.320 0.000 0.000 0.218 267 A C 2.357 179.921 177.584 -0.032 0.000 1.188 267 A CA 2.068 54.094 52.037 -0.019 0.000 0.631 267 A CB -1.678 17.313 19.000 -0.014 0.000 0.822 267 A HN 0.563 nan 8.150 nan 0.000 0.447 268 G N -1.055 107.726 108.800 -0.033 0.000 2.421 268 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 268 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 268 G C 1.584 176.434 174.900 -0.083 0.000 1.143 268 G CA 0.997 46.069 45.100 -0.048 0.000 0.784 268 G HN 0.558 nan 8.290 nan 0.000 0.541 269 K N 0.151 120.504 120.400 -0.078 0.000 2.283 269 K HA -0.093 4.227 4.320 0.000 0.000 0.202 269 K C 0.795 177.307 176.600 -0.147 0.000 1.048 269 K CA 0.729 56.937 56.287 -0.132 0.000 0.948 269 K CB -0.080 32.380 32.500 -0.067 0.000 0.742 269 K HN 0.171 nan 8.250 nan 0.000 0.458 270 D N -0.051 120.295 120.400 -0.089 0.000 2.882 270 D HA -0.221 4.419 4.640 0.000 0.000 0.229 270 D C 0.341 176.613 176.300 -0.047 0.000 1.167 270 D CA 0.773 54.734 54.000 -0.065 0.000 0.759 270 D CB -0.551 40.205 40.800 -0.074 0.000 1.088 270 D HN 0.236 nan 8.370 nan 0.000 0.425 271 L N -0.363 120.838 121.223 -0.037 0.000 3.400 271 L HA -0.438 3.902 4.340 0.000 0.000 0.158 271 L C 1.972 178.843 176.870 0.002 0.000 4.462 271 L CA 2.955 57.788 54.840 -0.013 0.000 0.423 271 L CB -1.653 40.404 42.059 -0.004 0.000 3.561 271 L HN 0.214 nan 8.230 nan 0.000 0.641 272 D N -0.728 119.672 120.400 0.000 0.000 2.200 272 D HA -0.247 4.393 4.640 0.000 0.000 0.192 272 D C 2.073 178.402 176.300 0.049 0.000 1.008 272 D CA 2.062 56.072 54.000 0.016 0.000 0.872 272 D CB -0.153 40.650 40.800 0.006 0.000 0.923 272 D HN 0.305 nan 8.370 nan 0.000 0.447 273 L N 1.059 122.309 121.223 0.045 0.000 2.223 273 L HA -0.293 4.047 4.340 0.000 0.000 0.230 273 L C 2.344 179.384 176.870 0.283 0.000 1.110 273 L CA 1.605 56.533 54.840 0.147 0.000 0.834 273 L CB -0.632 41.421 42.059 -0.010 0.000 0.915 273 L HN 0.221 nan 8.230 nan 0.000 0.450 274 I N -1.240 119.436 120.570 0.177 0.000 2.493 274 I HA -0.156 4.014 4.170 0.000 0.000 0.254 274 I C 0.911 177.076 176.117 0.080 0.000 1.160 274 I CA 0.751 62.133 61.300 0.136 0.000 1.445 274 I CB -0.953 37.096 38.000 0.083 0.000 1.086 274 I HN 0.275 nan 8.210 nan 0.000 0.433 275 E N 1.648 121.887 120.200 0.064 0.000 2.341 275 E HA 0.422 4.772 4.350 0.000 0.000 0.279 275 E C -0.143 176.478 176.600 0.036 0.000 1.395 275 E CA -0.071 56.350 56.400 0.036 0.000 1.648 275 E CB 0.176 29.890 29.700 0.023 0.000 1.524 275 E HN 0.261 nan 8.360 nan 0.000 0.462 276 A N 1.167 124.010 122.820 0.039 0.000 2.466 276 A HA 0.383 4.703 4.320 0.000 0.000 0.291 276 A C -0.239 177.345 177.584 0.001 0.000 1.234 276 A CA -0.732 51.321 52.037 0.027 0.000 0.752 276 A CB 0.631 19.667 19.000 0.060 0.000 1.153 276 A HN 0.170 nan 8.150 nan 0.000 0.458 277 D N 0.754 121.149 120.400 -0.009 0.000 2.197 277 D HA 0.061 4.701 4.640 0.000 0.000 0.212 277 D C 1.016 177.281 176.300 -0.059 0.000 0.963 277 D CA 1.862 55.848 54.000 -0.023 0.000 0.864 277 D CB 0.195 40.987 40.800 -0.013 0.000 1.009 277 D HN 0.595 nan 8.370 nan 0.000 0.479 278 T N -0.841 113.683 114.554 -0.050 0.000 2.859 278 T HA 0.509 4.859 4.350 0.000 0.000 0.281 278 T C -2.683 171.982 174.700 -0.058 0.000 1.005 278 T CA -2.245 59.818 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 0.024 nan 4.420 nan 0.000 0.241 279 P C -0.973 176.315 177.300 -0.020 0.000 1.093 279 P CA 0.100 63.164 63.100 -0.061 0.000 0.843 279 P CB -0.163 31.502 31.700 -0.058 0.000 0.760 280 L N 7.479 128.700 121.223 -0.003 0.000 2.272 280 L HA 0.500 4.840 4.340 0.000 0.000 0.289 280 L C -2.240 174.677 176.870 0.079 0.000 1.032 280 L CA -2.512 52.359 54.840 0.052 0.000 0.810 280 L CB 1.170 43.293 42.059 0.105 0.000 1.205 280 L HN 0.168 nan 8.230 nan 0.000 0.422 281 P HA -0.014 nan 4.420 nan 0.000 0.266 281 P C 1.301 178.666 177.300 0.109 0.000 1.215 281 P CA -0.053 63.089 63.100 0.069 0.000 0.763 281 P CB 0.869 32.594 31.700 0.042 0.000 0.806 282 V N 2.837 122.814 119.914 0.106 0.000 2.251 282 V HA -0.408 3.712 4.120 0.000 0.000 0.259 282 V C 2.207 178.383 176.094 0.136 0.000 1.078 282 V CA 3.052 65.433 62.300 0.135 0.000 1.072 282 V CB -2.653 29.227 31.823 0.096 0.000 0.681 282 V HN 0.619 nan 8.190 nan 0.000 0.454 283 S N 0.435 116.183 115.700 0.081 0.000 2.374 283 S HA -0.189 4.281 4.470 0.000 0.000 0.227 283 S C 1.856 176.474 174.600 0.030 0.000 1.037 283 S CA 1.930 60.160 58.200 0.050 0.000 1.024 283 S CB -1.048 62.169 63.200 0.029 0.000 0.861 283 S HN 0.615 nan 8.310 nan 0.000 0.456 284 V N 0.614 120.546 119.914 0.030 0.000 2.270 284 V HA -0.040 4.080 4.120 0.000 0.000 0.245 284 V C 2.147 178.186 176.094 -0.091 0.000 1.043 284 V CA 2.034 64.326 62.300 -0.014 0.000 1.014 284 V CB -0.895 30.933 31.823 0.009 0.000 0.645 284 V HN 0.526 nan 8.190 nan 0.000 0.447 285 F N 0.936 120.886 119.950 -0.000 0.000 2.163 285 F HA -0.009 4.518 4.527 0.000 0.000 0.297 285 F C 1.379 177.224 175.800 0.074 0.000 1.094 285 F CA 0.974 58.981 58.000 0.011 0.000 1.290 285 F CB -0.141 38.894 39.000 0.059 0.000 1.017 285 F HN 0.045 nan 8.300 nan 0.000 0.483 286 T N 3.637 118.292 114.554 0.169 0.000 2.761 286 T HA 0.215 4.565 4.350 0.000 0.000 0.296 286 T C -1.888 172.868 174.700 0.093 0.000 0.934 286 T CA -1.114 61.110 62.100 0.207 0.000 1.091 286 T CB 1.305 70.292 68.868 0.198 0.000 0.896 286 T HN 0.048 nan 8.240 nan 0.000 0.515 287 P HA 0.249 nan 4.420 nan 0.000 0.322 287 P C -0.039 177.298 177.300 0.062 0.000 1.414 287 P CA -0.521 62.621 63.100 0.071 0.000 0.876 287 P CB 0.280 32.036 31.700 0.095 0.000 2.176 288 S N -0.755 114.976 115.700 0.051 0.000 2.499 288 S HA 0.463 4.933 4.470 0.000 0.000 0.279 288 S C -0.436 174.186 174.600 0.036 0.000 1.219 288 S CA -0.521 57.701 58.200 0.037 0.000 1.062 288 S CB -0.987 62.227 63.200 0.025 0.000 0.978 288 S HN 0.111 nan 8.310 nan 0.000 0.489 289 L N 3.600 124.841 121.223 0.031 0.000 2.325 289 L HA 0.776 5.116 4.340 0.000 0.000 0.278 289 L C 0.136 177.015 176.870 0.016 0.000 1.023 289 L CA -0.595 54.261 54.840 0.027 0.000 0.811 289 L CB 1.720 43.798 42.059 0.032 0.000 1.249 289 L HN 0.748 nan 8.230 nan 0.000 0.431 290 A N 3.852 126.680 122.820 0.012 0.000 2.337 290 A HA 0.846 5.166 4.320 0.000 0.000 0.331 290 A C -2.555 175.033 177.584 0.005 0.000 1.137 290 A CA -1.673 50.368 52.037 0.006 0.000 0.807 290 A CB 0.776 19.777 19.000 0.001 0.000 1.250 290 A HN 0.427 nan 8.150 nan 0.000 0.468 291 P HA 0.211 nan 4.420 nan 0.000 0.267 291 P C -0.414 176.879 177.300 -0.012 0.000 1.201 291 P CA 0.148 63.251 63.100 0.005 0.000 0.775 291 P CB 0.370 32.074 31.700 0.006 0.000 0.854 292 R N 0.454 120.949 120.500 -0.010 0.000 2.867 292 R HA 0.600 4.940 4.340 0.000 0.000 0.268 292 R C -0.798 175.364 176.300 -0.230 0.000 1.014 292 R CA -0.733 55.274 56.100 -0.153 0.000 0.946 292 R CB 1.794 31.949 30.300 -0.241 0.000 1.208 292 R HN 0.317 nan 8.270 nan 0.000 0.477 293 S N 1.343 116.785 115.700 -0.431 0.000 2.498 293 S HA 0.617 5.087 4.470 0.000 0.000 0.317 293 S C -1.251 173.100 174.600 -0.415 0.000 1.090 293 S CA -0.510 57.534 58.200 -0.260 0.000 1.089 293 S CB 0.632 63.767 63.200 -0.109 0.000 0.997 293 S HN 0.329 nan 8.310 nan 0.000 0.470 294 Y N 1.458 121.841 120.300 0.139 0.000 2.570 294 Y HA 0.608 5.158 4.550 0.000 0.000 0.345 294 Y C 0.436 176.408 175.900 0.121 0.000 1.014 294 Y CA -1.392 56.810 58.100 0.171 0.000 1.063 294 Y CB 1.401 40.071 38.460 0.350 0.000 1.272 294 Y HN 0.542 nan 8.280 nan 0.000 0.477 295 R N 0.834 121.482 120.500 0.248 0.000 2.589 295 R HA 0.602 4.942 4.340 0.000 0.000 0.293 295 R C -2.811 173.539 176.300 0.084 0.000 0.963 295 R CA -1.730 54.456 56.100 0.144 0.000 0.905 295 R CB 1.708 32.073 30.300 0.109 0.000 1.144 295 R HN 0.269 nan 8.270 nan 0.000 0.459 296 P HA -0.180 nan 4.420 nan 0.000 0.197 296 P C 0.803 178.072 177.300 -0.052 0.000 1.076 296 P CA 2.282 65.371 63.100 -0.018 0.000 0.876 296 P CB -0.071 31.617 31.700 -0.020 0.000 0.705 297 A N -1.479 121.272 122.820 -0.114 0.000 5.101 297 A HA -0.301 4.019 4.320 0.000 0.000 0.360 297 A C 1.152 178.492 177.584 -0.408 0.000 1.612 297 A CA 2.749 54.633 52.037 -0.255 0.000 0.689 297 A CB -2.314 16.634 19.000 -0.087 0.000 1.522 297 A HN 0.311 nan 8.150 nan 0.000 0.416 298 F N -1.478 118.469 119.950 -0.005 0.000 2.835 298 F HA 0.483 5.010 4.527 0.000 0.000 0.342 298 F C 0.451 176.239 175.800 -0.020 0.000 1.202 298 F CA -0.463 57.529 58.000 -0.013 0.000 1.240 298 F CB 0.601 39.598 39.000 -0.005 0.000 1.005 298 F HN 0.398 nan 8.300 nan 0.000 0.507 299 I N 1.294 121.928 120.570 0.107 0.000 3.194 299 I HA 0.106 4.276 4.170 0.000 0.000 0.283 299 I C 0.120 176.239 176.117 0.003 0.000 1.199 299 I CA -0.056 61.265 61.300 0.036 0.000 1.328 299 I CB 0.436 38.426 38.000 -0.017 0.000 1.404 299 I HN -0.115 nan 8.210 nan 0.000 0.618 300 K N 6.657 127.039 120.400 -0.031 0.000 2.449 300 K HA 0.323 4.643 4.320 0.000 0.000 0.257 300 K C -2.015 174.538 176.600 -0.077 0.000 0.989 300 K CA -1.791 54.474 56.287 -0.037 0.000 0.916 300 K CB 1.111 33.598 32.500 -0.022 0.000 1.136 300 K HN 0.258 nan 8.250 nan 0.000 0.439 301 P HA -0.241 nan 4.420 nan 0.000 0.219 301 P C 0.571 177.816 177.300 -0.090 0.000 1.153 301 P CA 1.507 64.546 63.100 -0.101 0.000 0.865 301 P CB 0.468 32.114 31.700 -0.091 0.000 0.788 302 E N -0.751 119.408 120.200 -0.068 0.000 2.085 302 E HA -0.172 4.178 4.350 0.000 0.000 0.194 302 E C 1.756 178.323 176.600 -0.055 0.000 0.994 302 E CA 1.332 57.698 56.400 -0.056 0.000 0.801 302 E CB -0.586 29.088 29.700 -0.043 0.000 0.743 302 E HN 0.398 nan 8.360 nan 0.000 0.453 303 D N -0.399 119.965 120.400 -0.060 0.000 2.301 303 D HA 0.076 4.716 4.640 0.000 0.000 0.206 303 D C 0.164 176.420 176.300 -0.073 0.000 0.979 303 D CA 0.434 54.402 54.000 -0.052 0.000 0.874 303 D CB 0.325 41.105 40.800 -0.034 0.000 0.968 303 D HN 0.072 nan 8.370 nan 0.000 0.510 304 A N 1.853 124.594 122.820 -0.132 0.000 2.798 304 A HA 0.127 4.447 4.320 0.000 0.000 0.316 304 A C 1.274 178.695 177.584 -0.271 0.000 1.506 304 A CA -0.415 51.475 52.037 -0.245 0.000 1.162 304 A CB 0.164 18.949 19.000 -0.358 0.000 1.138 304 A HN -0.054 nan 8.150 nan 0.000 0.532 305 K N 1.766 122.086 120.400 -0.133 0.000 2.044 305 K HA -0.221 4.099 4.320 0.000 0.000 0.224 305 K C 1.551 178.131 176.600 -0.033 0.000 1.056 305 K CA 2.440 58.704 56.287 -0.039 0.000 0.962 305 K CB -0.276 32.270 32.500 0.076 0.000 0.730 305 K HN 1.041 nan 8.250 nan 0.000 0.453 306 W N 0.688 121.945 121.300 -0.071 0.000 3.077 306 W HA 0.279 4.939 4.660 0.000 0.000 0.245 306 W C 0.292 176.761 176.519 -0.083 0.000 1.316 306 W CA -0.085 57.205 57.345 -0.092 0.000 1.537 306 W CB -0.477 28.901 29.460 -0.136 0.000 1.131 306 W HN -0.018 nan 8.180 nan 0.000 0.695 307 I N 1.084 121.253 120.570 -0.669 0.000 2.586 307 I HA 0.526 4.696 4.170 0.000 0.000 0.281 307 I C -0.466 175.427 176.117 -0.373 0.000 1.145 307 I CA -0.201 60.743 61.300 -0.594 0.000 1.073 307 I CB 0.837 38.201 38.000 -1.059 0.000 1.238 307 I HN -0.098 nan 8.210 nan 0.000 0.461 308 A N 5.777 128.480 122.820 -0.195 0.000 2.616 308 A HA 0.912 5.232 4.320 0.000 0.000 0.253 308 A C -0.964 176.565 177.584 -0.091 0.000 1.239 308 A CA -0.413 51.547 52.037 -0.128 0.000 0.914 308 A CB 1.503 20.451 19.000 -0.087 0.000 1.454 308 A HN 0.544 nan 8.150 nan 0.000 0.460 309 E N -0.706 119.445 120.200 -0.081 0.000 2.317 309 E HA 0.452 4.802 4.350 0.000 0.000 0.270 309 E C -1.692 174.855 176.600 -0.088 0.000 0.885 309 E CA -0.591 55.770 56.400 -0.064 0.000 0.760 309 E CB 1.785 31.438 29.700 -0.078 0.000 1.227 309 E HN 0.429 nan 8.360 nan 0.000 0.434 310 F N 3.614 123.509 119.950 -0.091 0.000 2.553 310 F HA 0.061 4.588 4.527 0.000 0.000 0.356 310 F C 0.801 176.558 175.800 -0.071 0.000 1.142 310 F CA -0.116 57.830 58.000 -0.090 0.000 1.322 310 F CB 0.484 39.426 39.000 -0.097 0.000 1.126 310 F HN 0.297 nan 8.300 nan 0.000 0.599 311 N N 3.855 121.645 118.700 -1.516 0.000 2.443 311 N HA 0.147 4.887 4.740 0.000 0.000 0.295 311 N C -0.974 174.144 175.510 -0.653 0.000 1.076 311 N CA -0.865 51.684 53.050 -0.834 0.000 0.919 311 N CB 0.953 39.074 38.487 -0.610 0.000 1.176 311 N HN 0.603 nan 8.380 nan 0.000 0.487 312 N N 0.846 119.394 118.700 -0.254 0.000 2.395 312 N HA -0.053 4.687 4.740 0.000 0.000 0.246 312 N C -1.017 174.462 175.510 -0.051 0.000 1.246 312 N CA 0.712 53.714 53.050 -0.080 0.000 0.879 312 N CB 0.094 38.553 38.487 -0.047 0.000 1.098 312 N HN 0.694 nan 8.380 nan 0.000 0.444 313 S N 0.162 115.890 115.700 0.046 0.000 3.027 313 S HA -0.020 4.450 4.470 0.000 0.000 0.809 313 S C 0.167 174.868 174.600 0.170 0.000 0.729 313 S CA 0.125 58.366 58.200 0.069 0.000 1.515 313 S CB -2.008 61.202 63.200 0.016 0.000 1.062 313 S HN 1.101 nan 8.310 nan 0.000 0.682 314 S N 1.466 117.257 115.700 0.151 0.000 6.372 314 S HA 0.487 4.957 4.470 0.000 0.000 0.097 314 S C -0.312 174.296 174.600 0.012 0.000 1.206 314 S CA -0.084 58.179 58.200 0.105 0.000 1.380 314 S CB -0.161 63.144 63.200 0.174 0.000 1.932 314 S HN 1.773 nan 8.310 nan 0.000 0.560 315 L N 2.142 123.352 121.223 -0.022 0.000 2.108 315 L HA -0.009 4.331 4.340 0.000 0.000 0.685 315 L C -1.534 175.275 176.870 -0.101 0.000 1.058 315 L CA -0.044 54.760 54.840 -0.061 0.000 1.399 315 L CB -1.133 40.901 42.059 -0.043 0.000 2.171 315 L HN 0.591 nan 8.230 nan 0.000 0.994 316 I N 2.365 122.842 120.570 -0.155 0.000 2.347 316 I HA 0.269 4.439 4.170 0.000 0.000 0.283 316 I C 1.169 177.195 176.117 -0.151 0.000 1.058 316 I CA -0.536 60.671 61.300 -0.154 0.000 1.202 316 I CB 1.046 38.931 38.000 -0.191 0.000 1.386 316 I HN 0.482 nan 8.210 nan 0.000 0.475 317 R N 3.157 123.579 120.500 -0.129 0.000 1.991 317 R HA 0.149 4.489 4.340 0.000 0.000 0.205 317 R C 0.513 176.715 176.300 -0.163 0.000 1.356 317 R CA 0.124 56.139 56.100 -0.140 0.000 1.066 317 R CB -0.302 29.934 30.300 -0.108 0.000 0.854 317 R HN 0.133 nan 8.270 nan 0.000 0.487 318 K N 2.418 122.742 120.400 -0.126 0.000 2.310 318 K HA 0.119 4.439 4.320 0.000 0.000 0.290 318 K C -1.191 175.350 176.600 -0.097 0.000 1.077 318 K CA 0.027 56.242 56.287 -0.121 0.000 0.922 318 K CB 0.601 33.046 32.500 -0.091 0.000 1.057 318 K HN 0.478 nan 8.250 nan 0.000 0.479 319 T N 2.446 116.938 114.554 -0.102 0.000 2.812 319 T HA 0.358 4.708 4.350 0.000 0.000 0.282 319 T C -0.386 174.304 174.700 -0.017 0.000 0.990 319 T CA -1.054 61.012 62.100 -0.056 0.000 0.960 319 T CB 0.839 69.680 68.868 -0.046 0.000 0.948 319 T HN 0.407 nan 8.240 nan 0.000 0.438 320 L N 4.630 125.845 121.223 -0.014 0.000 2.559 320 L HA 0.253 4.593 4.340 0.000 0.000 0.274 320 L C 1.564 178.453 176.870 0.031 0.000 1.205 320 L CA 1.195 56.034 54.840 -0.001 0.000 0.907 320 L CB 0.605 42.648 42.059 -0.027 0.000 1.153 320 L HN 1.070 nan 8.230 nan 0.000 0.490 321 T N 1.952 116.550 114.554 0.073 0.000 3.000 321 T HA 0.173 4.523 4.350 0.000 0.000 0.248 321 T C 0.111 174.908 174.700 0.161 0.000 1.034 321 T CA 0.070 62.247 62.100 0.129 0.000 1.060 321 T CB -0.017 68.972 68.868 0.202 0.000 0.983 321 T HN 0.447 nan 8.240 nan 0.000 0.482 322 Y N 0.998 121.320 120.300 0.037 0.000 2.829 322 Y HA 0.576 5.126 4.550 0.000 0.000 0.322 322 Y C -1.138 174.774 175.900 0.021 0.000 1.357 322 Y CA -2.106 56.010 58.100 0.027 0.000 1.081 322 Y CB 1.437 39.914 38.460 0.029 0.000 1.339 322 Y HN -0.017 nan 8.280 nan 0.000 0.469 323 S N 1.835 116.448 115.700 -1.812 0.000 2.507 323 S HA 0.344 4.814 4.470 0.000 0.000 0.299 323 S C 0.731 175.054 174.600 -0.461 0.000 1.214 323 S CA 0.743 58.398 58.200 -0.908 0.000 1.137 323 S CB -0.656 62.121 63.200 -0.704 0.000 1.009 323 S HN 1.385 nan 8.310 nan 0.000 0.512 324 G N 2.462 111.108 108.800 -0.257 0.000 2.341 324 G HA2 -0.069 3.891 3.960 0.000 0.000 0.292 324 G HA3 -0.069 3.891 3.960 0.000 0.000 0.292 324 G C 0.057 174.920 174.900 -0.062 0.000 1.021 324 G CA 0.184 45.211 45.100 -0.121 0.000 0.905 324 G HN 1.192 nan 8.290 nan 0.000 0.508 325 A N -0.643 122.142 122.820 -0.059 0.000 2.449 325 A HA 1.002 5.322 4.320 0.000 0.000 0.302 325 A C 0.020 177.634 177.584 0.050 0.000 1.048 325 A CA 0.351 52.409 52.037 0.036 0.000 0.708 325 A CB 1.771 20.859 19.000 0.147 0.000 1.274 325 A HN 1.635 nan 8.150 nan 0.000 0.410 326 T N -0.893 113.702 114.554 0.067 0.000 2.893 326 T HA 0.646 4.996 4.350 0.000 0.000 0.293 326 T C -1.151 173.612 174.700 0.105 0.000 1.027 326 T CA -0.498 61.637 62.100 0.059 0.000 0.988 326 T CB 1.363 70.234 68.868 0.004 0.000 1.043 326 T HN 1.132 nan 8.240 nan 0.000 0.461 327 Y N 1.828 122.124 120.300 -0.007 0.000 2.442 327 Y HA 0.553 5.103 4.550 0.000 0.000 0.344 327 Y C -0.192 175.700 175.900 -0.013 0.000 0.976 327 Y CA -0.996 57.093 58.100 -0.019 0.000 1.040 327 Y CB 2.001 40.478 38.460 0.028 0.000 1.228 327 Y HN 0.952 nan 8.280 nan 0.000 0.451 328 T N 3.204 117.279 114.554 -0.798 0.000 2.782 328 T HA 0.163 4.513 4.350 0.000 0.000 0.298 328 T C 0.891 174.948 174.700 -1.071 0.000 0.944 328 T CA -0.330 61.351 62.100 -0.697 0.000 1.001 328 T CB 0.656 69.355 68.868 -0.282 0.000 0.932 328 T HN 0.669 nan 8.240 nan 0.000 0.524 329 V N 2.768 122.198 119.914 -0.807 0.000 2.759 329 V HA -0.081 4.039 4.120 0.000 0.000 0.256 329 V C 1.654 177.674 176.094 -0.124 0.000 1.080 329 V CA 1.803 63.884 62.300 -0.365 0.000 1.101 329 V CB -1.085 30.677 31.823 -0.103 0.000 0.698 329 V HN 1.147 nan 8.190 nan 0.000 0.477 330 Q N -1.080 118.613 119.800 -0.178 0.000 2.480 330 Q HA -0.239 4.101 4.340 0.000 0.000 0.265 330 Q C -0.139 175.794 176.000 -0.112 0.000 1.072 330 Q CA 0.888 56.609 55.803 -0.137 0.000 1.018 330 Q CB -2.349 26.310 28.738 -0.132 0.000 1.433 330 Q HN 0.590 nan 8.270 nan 0.000 0.513 331 L N -0.339 120.806 121.223 -0.130 0.000 2.780 331 L HA 0.294 4.634 4.340 0.000 0.000 0.275 331 L C 1.077 177.917 176.870 -0.051 0.000 1.153 331 L CA 2.122 56.870 54.840 -0.154 0.000 0.993 331 L CB -0.264 41.572 42.059 -0.371 0.000 1.319 331 L HN 0.410 nan 8.230 nan 0.000 0.479 332 G N 4.187 113.038 108.800 0.085 0.000 3.507 332 G HA2 0.228 4.188 3.960 0.000 0.000 0.162 332 G HA3 0.228 4.188 3.960 0.000 0.000 0.162 332 G C -2.798 172.187 174.900 0.141 0.000 1.230 332 G CA -0.122 45.079 45.100 0.169 0.000 1.412 332 G HN 0.376 nan 8.290 nan 0.000 0.723 333 P HA 0.237 nan 4.420 nan 0.000 0.263 333 P C 0.682 177.982 177.300 0.000 0.000 1.345 333 P CA 1.465 64.568 63.100 0.005 0.000 1.119 333 P CB -0.034 31.656 31.700 -0.017 0.000 1.363 334 G N 4.385 113.185 108.800 -0.000 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 -2.214 172.682 174.900 -0.007 0.000 1.055 334 G CA -0.794 44.295 45.100 -0.019 0.000 0.922 334 G HN 0.342 nan 8.290 nan 0.000 0.503 335 P HA 0.293 nan 4.420 nan 0.000 0.263 335 P C 1.357 178.664 177.300 0.012 0.000 1.345 335 P CA 0.900 64.023 63.100 0.038 0.000 1.119 335 P CB -0.035 31.711 31.700 0.078 0.000 1.363 336 T N 1.430 115.963 114.554 -0.035 0.000 13.732 336 T HA -0.269 4.081 4.350 0.000 0.000 0.419 336 T C 0.592 175.266 174.700 -0.043 0.000 1.441 336 T CA 0.826 62.891 62.100 -0.058 0.000 2.344 336 T CB -0.874 67.958 68.868 -0.060 0.000 2.781 336 T HN 0.434 nan 8.240 nan 0.000 0.464 337 R N 0.438 120.929 120.500 -0.016 0.000 2.663 337 R HA 0.570 4.910 4.340 0.000 0.000 0.267 337 R C -1.218 175.093 176.300 0.019 0.000 1.038 337 R CA -0.458 55.631 56.100 -0.017 0.000 0.886 337 R CB 1.717 31.989 30.300 -0.047 0.000 1.249 337 R HN 0.737 nan 8.270 nan 0.000 0.463 338 V N 0.229 120.150 119.914 0.011 0.000 2.311 338 V HA 0.534 4.654 4.120 0.000 0.000 0.275 338 V C 0.048 176.180 176.094 0.064 0.000 1.022 338 V CA -0.827 61.503 62.300 0.049 0.000 0.830 338 V CB 0.756 32.595 31.823 0.027 0.000 1.012 338 V HN 0.501 nan 8.190 nan 0.000 0.452 339 I N 5.371 126.023 120.570 0.136 0.000 2.363 339 I HA 0.265 4.435 4.170 0.000 0.000 0.292 339 I C 0.493 176.711 176.117 0.169 0.000 1.075 339 I CA 0.408 61.800 61.300 0.152 0.000 1.333 339 I CB 0.349 38.504 38.000 0.259 0.000 1.415 339 I HN 0.587 nan 8.210 nan 0.000 0.502 340 D N 8.371 128.849 120.400 0.130 0.000 2.558 340 D HA 0.109 4.749 4.640 0.000 0.000 0.221 340 D C 0.482 176.792 176.300 0.016 0.000 1.143 340 D CA -0.004 54.067 54.000 0.118 0.000 1.010 340 D CB 0.747 41.612 40.800 0.108 0.000 1.068 340 D HN 0.404 nan 8.370 nan 0.000 0.511 341 M N 0.997 120.500 119.600 -0.162 0.000 2.723 341 M HA 0.032 4.512 4.480 0.000 0.000 0.270 341 M C 0.335 176.407 176.300 -0.379 0.000 1.282 341 M CA -0.337 54.611 55.300 -0.586 0.000 0.995 341 M CB -1.319 30.459 32.600 -1.370 0.000 1.430 341 M HN -0.016 nan 8.290 nan 0.000 0.477 342 N N 1.611 120.231 118.700 -0.133 0.000 2.508 342 N HA 0.344 5.084 4.740 0.000 0.000 0.253 342 N C 0.214 175.761 175.510 0.062 0.000 1.145 342 N CA 0.321 53.358 53.050 -0.022 0.000 0.973 342 N CB 0.206 38.675 38.487 -0.030 0.000 1.305 342 N HN 0.414 nan 8.380 nan 0.000 0.506 343 A N 3.645 126.552 122.820 0.146 0.000 2.519 343 A HA -0.174 4.146 4.320 0.000 0.000 0.297 343 A C 0.072 177.764 177.584 0.181 0.000 1.472 343 A CA 0.580 52.729 52.037 0.188 0.000 0.739 343 A CB -1.438 17.635 19.000 0.121 0.000 1.096 343 A HN 0.591 nan 8.150 nan 0.000 0.414 344 M N 1.001 120.772 119.600 0.285 0.000 3.307 344 M HA 0.387 4.867 4.480 0.000 0.000 0.222 344 M C 0.750 177.233 176.300 0.304 0.000 1.243 344 M CA -0.141 55.292 55.300 0.222 0.000 1.270 344 M CB -1.605 31.052 32.600 0.095 0.000 1.187 344 M HN 1.337 nan 8.290 nan 0.000 0.598 345 I N -1.315 119.357 120.570 0.171 0.000 5.504 345 I HA -0.340 3.830 4.170 0.000 0.000 0.128 345 I C -0.639 175.428 176.117 -0.083 0.000 1.242 345 I CA 0.770 62.105 61.300 0.057 0.000 2.596 345 I CB -0.544 37.469 38.000 0.021 0.000 2.176 345 I HN 0.467 nan 8.210 nan 0.000 0.313 346 D N 1.592 121.883 120.400 -0.182 0.000 2.381 346 D HA 0.615 5.255 4.640 0.000 0.000 0.235 346 D C -0.721 175.414 176.300 -0.276 0.000 1.068 346 D CA -0.284 53.490 54.000 -0.377 0.000 0.832 346 D CB 1.563 42.183 40.800 -0.300 0.000 1.101 346 D HN 0.606 nan 8.370 nan 0.000 0.515 347 S N 0.543 116.032 115.700 -0.352 0.000 2.667 347 S HA 0.576 5.046 4.470 0.000 0.000 0.292 347 S C -0.513 174.022 174.600 -0.108 0.000 1.126 347 S CA -0.703 57.416 58.200 -0.136 0.000 0.881 347 S CB 2.323 65.557 63.200 0.058 0.000 1.132 347 S HN 0.171 nan 8.310 nan 0.000 0.492 348 V N 2.432 122.318 119.914 -0.048 0.000 2.376 348 V HA 0.350 4.470 4.120 0.000 0.000 0.287 348 V C -0.589 175.478 176.094 -0.044 0.000 1.015 348 V CA -0.495 61.783 62.300 -0.036 0.000 0.834 348 V CB 1.125 32.928 31.823 -0.034 0.000 1.001 348 V HN 0.710 nan 8.190 nan 0.000 0.428 349 L N 4.686 125.870 121.223 -0.066 0.000 2.451 349 L HA 0.154 4.494 4.340 0.000 0.000 0.272 349 L C 0.694 177.449 176.870 -0.192 0.000 1.258 349 L CA 0.160 54.906 54.840 -0.157 0.000 1.132 349 L CB -0.318 41.551 42.059 -0.317 0.000 1.361 349 L HN 0.640 nan 8.230 nan 0.000 0.438 350 T N 3.281 117.753 114.554 -0.138 0.000 3.182 350 T HA 0.166 4.516 4.350 0.000 0.000 0.274 350 T C 0.024 174.625 174.700 -0.167 0.000 0.997 350 T CA -0.251 61.735 62.100 -0.190 0.000 1.082 350 T CB -0.019 68.752 68.868 -0.163 0.000 1.005 350 T HN 0.136 nan 8.240 nan 0.000 0.688 351 L N 4.321 125.439 121.223 -0.175 0.000 2.281 351 L HA 0.328 4.668 4.340 0.000 0.000 0.285 351 L C -0.462 176.363 176.870 -0.074 0.000 1.074 351 L CA -0.060 54.727 54.840 -0.089 0.000 0.817 351 L CB 0.517 42.537 42.059 -0.065 0.000 1.168 351 L HN 0.406 nan 8.230 nan 0.000 0.434 352 D N 5.863 126.251 120.400 -0.020 0.000 2.446 352 D HA 0.255 4.895 4.640 0.000 0.000 0.251 352 D C -0.809 175.527 176.300 0.060 0.000 1.137 352 D CA -0.168 53.842 54.000 0.017 0.000 0.890 352 D CB 1.634 42.443 40.800 0.013 0.000 1.071 352 D HN 0.215 nan 8.370 nan 0.000 0.528 353 V N 0.760 120.732 119.914 0.097 0.000 2.394 353 V HA 0.646 4.766 4.120 0.000 0.000 0.282 353 V C 0.393 176.605 176.094 0.197 0.000 1.031 353 V CA -0.397 61.989 62.300 0.144 0.000 0.881 353 V CB 1.436 33.361 31.823 0.171 0.000 0.982 353 V HN 0.434 nan 8.190 nan 0.000 0.451 354 S N 2.541 118.341 115.700 0.166 0.000 2.547 354 S HA 0.745 5.215 4.470 0.000 0.000 0.270 354 S C 0.515 175.202 174.600 0.144 0.000 1.150 354 S CA 0.801 59.096 58.200 0.157 0.000 0.850 354 S CB 1.664 64.907 63.200 0.072 0.000 1.118 354 S HN 1.993 nan 8.310 nan 0.000 0.461 355 G N 2.048 110.934 108.800 0.144 0.000 5.045 355 G HA2 -0.254 3.706 3.960 0.000 0.000 0.229 355 G HA3 -0.254 3.706 3.960 0.000 0.000 0.229 355 G C 0.240 175.234 174.900 0.156 0.000 1.440 355 G CA 0.299 45.474 45.100 0.124 0.000 0.936 355 G HN 1.375 nan 8.290 nan 0.000 0.690 356 T N 1.701 116.336 114.554 0.136 0.000 2.751 356 T HA 0.406 4.756 4.350 0.000 0.000 0.279 356 T C 1.114 175.874 174.700 0.099 0.000 0.941 356 T CA 1.167 63.330 62.100 0.104 0.000 1.192 356 T CB 1.237 70.136 68.868 0.051 0.000 0.883 356 T HN 0.713 nan 8.240 nan 0.000 0.534 357 I N 3.621 124.259 120.570 0.113 0.000 4.228 357 I HA 0.322 4.492 4.170 0.000 0.000 0.298 357 I C -0.079 176.134 176.117 0.160 0.000 1.206 357 I CA -0.010 61.328 61.300 0.063 0.000 1.322 357 I CB 0.288 38.306 38.000 0.030 0.000 1.411 357 I HN 0.622 nan 8.210 nan 0.000 0.454 358 L N 2.888 124.192 121.223 0.134 0.000 3.509 358 L HA -0.173 4.167 4.340 0.000 0.000 0.608 358 L C -2.087 174.810 176.870 0.046 0.000 1.032 358 L CA -0.598 54.329 54.840 0.145 0.000 1.125 358 L CB -1.718 40.487 42.059 0.242 0.000 1.218 358 L HN 0.202 nan 8.230 nan 0.000 0.727 359 P HA -0.037 nan 4.420 nan 0.000 0.266 359 P C -0.100 177.097 177.300 -0.172 0.000 1.195 359 P CA 0.009 62.974 63.100 -0.224 0.000 0.768 359 P CB 0.356 31.979 31.700 -0.127 0.000 0.838 360 Y N 2.302 122.414 120.300 -0.313 0.000 2.846 360 Y HA -0.241 4.309 4.550 0.000 0.000 0.352 360 Y C 1.803 177.644 175.900 -0.097 0.000 1.298 360 Y CA -0.271 57.613 58.100 -0.360 0.000 1.634 360 Y CB -0.311 37.836 38.460 -0.521 0.000 1.214 360 Y HN 0.567 nan 8.280 nan 0.000 0.529 361 D N 1.246 121.783 120.400 0.228 0.000 2.632 361 D HA -0.366 4.274 4.640 0.000 0.000 0.588 361 D C 0.944 177.307 176.300 0.106 0.000 0.941 361 D CA 2.376 56.489 54.000 0.188 0.000 1.653 361 D CB -0.533 40.411 40.800 0.240 0.000 0.356 361 D HN 0.537 nan 8.370 nan 0.000 0.482 362 T N 0.361 114.968 114.554 0.088 0.000 3.751 362 T HA 0.214 4.564 4.350 0.000 0.000 0.240 362 T C -1.512 173.212 174.700 0.040 0.000 1.004 362 T CA -0.646 61.486 62.100 0.054 0.000 1.645 362 T CB -0.611 68.281 68.868 0.041 0.000 0.763 362 T HN 0.026 nan 8.240 nan 0.000 0.625 363 N N 3.789 122.516 118.700 0.044 0.000 2.372 363 N HA 0.425 5.165 4.740 0.000 0.000 0.291 363 N C -2.338 173.193 175.510 0.036 0.000 1.024 363 N CA -1.919 51.150 53.050 0.032 0.000 0.873 363 N CB 2.153 40.648 38.487 0.013 0.000 1.206 363 N HN 0.249 nan 8.380 nan 0.000 0.486 364 P HA 0.090 nan 4.420 nan 0.000 0.269 364 P C -0.684 176.632 177.300 0.026 0.000 1.601 364 P CA 0.392 63.503 63.100 0.017 0.000 0.831 364 P CB 0.026 31.733 31.700 0.011 0.000 1.688 365 D N -0.002 120.433 120.400 0.058 0.000 2.892 365 D HA 0.176 4.816 4.640 0.000 0.000 0.291 365 D C 1.466 177.803 176.300 0.061 0.000 1.341 365 D CA -0.174 53.888 54.000 0.104 0.000 0.844 365 D CB 0.565 41.446 40.800 0.135 0.000 1.093 365 D HN 0.211 nan 8.370 nan 0.000 0.480 366 L N 0.067 121.269 121.223 -0.035 0.000 2.102 366 L HA -0.016 4.324 4.340 0.000 0.000 0.202 366 L C 1.354 178.147 176.870 -0.127 0.000 1.076 366 L CA 0.523 55.283 54.840 -0.133 0.000 0.761 366 L CB -0.403 41.606 42.059 -0.082 0.000 0.921 366 L HN -0.030 nan 8.230 nan 0.000 0.444 367 S N -0.155 115.510 115.700 -0.058 0.000 2.562 367 S HA 0.203 4.673 4.470 0.000 0.000 0.281 367 S C 0.838 175.421 174.600 -0.028 0.000 1.333 367 S CA 0.173 58.352 58.200 -0.035 0.000 1.052 367 S CB 0.848 64.041 63.200 -0.012 0.000 0.884 367 S HN 0.525 nan 8.310 nan 0.000 0.506 368 T N -1.761 112.778 114.554 -0.026 0.000 5.686 368 T HA -0.196 4.154 4.350 0.000 0.000 0.270 368 T C 0.056 174.741 174.700 -0.025 0.000 2.203 368 T CA 0.505 62.598 62.100 -0.012 0.000 3.730 368 T CB -3.075 65.802 68.868 0.017 0.000 0.770 368 T HN 1.486 nan 8.240 nan 0.000 1.144 369 S N 1.128 116.771 115.700 -0.095 0.000 2.448 369 S HA 0.724 5.194 4.470 0.000 0.000 0.320 369 S C 0.220 174.703 174.600 -0.195 0.000 1.071 369 S CA -0.294 57.806 58.200 -0.168 0.000 1.113 369 S CB 1.837 64.759 63.200 -0.463 0.000 0.972 369 S HN 1.457 nan 8.310 nan 0.000 0.465 370 V N -0.389 119.438 119.914 -0.144 0.000 2.630 370 V HA 0.695 4.815 4.120 0.000 0.000 0.305 370 V C -3.132 172.858 176.094 -0.175 0.000 1.046 370 V CA -3.206 58.994 62.300 -0.166 0.000 0.934 370 V CB 0.991 32.762 31.823 -0.087 0.000 1.003 370 V HN 0.483 nan 8.190 nan 0.000 0.451 371 P HA 0.450 nan 4.420 nan 0.000 0.265 371 P C -0.423 176.827 177.300 -0.083 0.000 1.222 371 P CA 0.660 63.630 63.100 -0.216 0.000 0.767 371 P CB 0.631 32.123 31.700 -0.347 0.000 0.801 372 A N 3.914 126.698 122.820 -0.060 0.000 2.479 372 A HA 0.765 5.085 4.320 0.000 0.000 0.296 372 A C -1.627 176.003 177.584 0.076 0.000 1.121 372 A CA -0.618 51.424 52.037 0.008 0.000 0.743 372 A CB 1.135 20.109 19.000 -0.043 0.000 1.323 372 A HN 0.420 nan 8.150 nan 0.000 0.415 373 F N 1.409 121.353 119.950 -0.011 0.000 2.458 373 F HA 0.663 5.190 4.527 0.000 0.000 0.336 373 F C -0.993 174.824 175.800 0.028 0.000 1.114 373 F CA -0.533 57.474 58.000 0.011 0.000 0.987 373 F CB 1.760 40.774 39.000 0.023 0.000 1.130 373 F HN 0.329 nan 8.300 nan 0.000 0.458 374 V N 7.527 126.920 119.914 -0.867 0.000 2.444 374 V HA 0.354 4.474 4.120 0.000 0.000 0.294 374 V C -0.627 174.938 176.094 -0.882 0.000 1.022 374 V CA -0.813 61.103 62.300 -0.639 0.000 0.850 374 V CB 1.482 33.151 31.823 -0.257 0.000 0.992 374 V HN 0.720 nan 8.190 nan 0.000 0.426 375 L N 6.085 126.973 121.223 -0.559 0.000 2.350 375 L HA 0.579 4.919 4.340 0.000 0.000 0.275 375 L C -0.403 176.421 176.870 -0.077 0.000 1.099 375 L CA 0.363 55.065 54.840 -0.230 0.000 0.808 375 L CB 1.041 43.111 42.059 0.019 0.000 1.149 375 L HN 0.517 nan 8.230 nan 0.000 0.442 376 I N 4.232 124.824 120.570 0.036 0.000 2.362 376 I HA 0.334 4.504 4.170 0.000 0.000 0.289 376 I C -0.493 175.735 176.117 0.185 0.000 0.994 376 I CA -0.375 60.990 61.300 0.109 0.000 1.158 376 I CB 1.361 39.450 38.000 0.149 0.000 1.315 376 I HN 0.547 nan 8.210 nan 0.000 0.451 377 Q N 4.489 124.345 119.800 0.094 0.000 2.788 377 Q HA 0.346 4.686 4.340 0.000 0.000 0.261 377 Q C -0.548 175.445 176.000 -0.012 0.000 1.029 377 Q CA -0.230 55.584 55.803 0.018 0.000 0.848 377 Q CB 1.719 30.454 28.738 -0.005 0.000 1.185 377 Q HN 0.628 nan 8.270 nan 0.000 0.482 378 T N -1.006 113.557 114.554 0.015 0.000 2.886 378 T HA 0.254 4.604 4.350 0.000 0.000 0.292 378 T C 0.538 175.105 174.700 -0.222 0.000 1.012 378 T CA -0.479 61.609 62.100 -0.020 0.000 0.982 378 T CB 1.445 70.364 68.868 0.086 0.000 1.018 378 T HN 0.230 nan 8.240 nan 0.000 0.451 379 S N 2.325 117.843 115.700 -0.303 0.000 2.660 379 S HA 0.115 4.585 4.470 0.000 0.000 0.223 379 S C 0.436 175.091 174.600 0.092 0.000 0.963 379 S CA -0.057 57.882 58.200 -0.436 0.000 0.932 379 S CB -0.083 62.942 63.200 -0.290 0.000 0.775 379 S HN 0.551 nan 8.310 nan 0.000 0.531 380 V N 4.177 124.190 119.914 0.164 0.000 2.311 380 V HA 0.273 4.393 4.120 0.000 0.000 0.275 380 V C -2.538 173.753 176.094 0.328 0.000 1.022 380 V CA -2.339 60.098 62.300 0.228 0.000 0.830 380 V CB 0.954 32.844 31.823 0.112 0.000 1.012 380 V HN 0.045 nan 8.190 nan 0.000 0.452 381 P HA 0.068 nan 4.420 nan 0.000 0.260 381 P C 1.383 178.745 177.300 0.104 0.000 1.185 381 P CA 0.009 63.292 63.100 0.304 0.000 0.763 381 P CB 0.426 32.218 31.700 0.154 0.000 0.776 382 I N 2.409 122.933 120.570 -0.077 0.000 2.317 382 I HA -0.350 3.820 4.170 0.000 0.000 0.244 382 I C 1.805 177.973 176.117 0.086 0.000 0.986 382 I CA 2.133 63.352 61.300 -0.135 0.000 1.286 382 I CB -1.331 36.473 38.000 -0.325 0.000 0.983 382 I HN 0.462 nan 8.210 nan 0.000 0.422 383 Q N -0.219 119.616 119.800 0.057 0.000 2.364 383 Q HA -0.180 4.160 4.340 0.000 0.000 0.207 383 Q C 1.997 178.055 176.000 0.096 0.000 0.970 383 Q CA 0.954 56.799 55.803 0.070 0.000 0.888 383 Q CB -0.292 28.442 28.738 -0.007 0.000 0.951 383 Q HN 0.571 nan 8.270 nan 0.000 0.469 384 Q N -1.085 118.764 119.800 0.082 0.000 2.424 384 Q HA 0.089 4.429 4.340 0.000 0.000 0.204 384 Q C -0.241 175.794 176.000 0.059 0.000 0.933 384 Q CA 0.175 56.019 55.803 0.069 0.000 0.929 384 Q CB 0.700 29.476 28.738 0.064 0.000 1.037 384 Q HN 0.065 nan 8.270 nan 0.000 0.511 385 V N 2.180 122.128 119.914 0.057 0.000 2.276 385 V HA 0.069 4.189 4.120 0.000 0.000 0.249 385 V C 1.076 177.123 176.094 -0.078 0.000 1.160 385 V CA 0.688 62.973 62.300 -0.025 0.000 1.042 385 V CB -0.239 31.524 31.823 -0.100 0.000 1.224 385 V HN 0.396 nan 8.190 nan 0.000 0.496 386 T N -0.580 113.951 114.554 -0.038 0.000 3.023 386 T HA 0.107 4.457 4.350 0.000 0.000 0.249 386 T C 0.886 175.545 174.700 -0.068 0.000 1.050 386 T CA 0.651 62.726 62.100 -0.042 0.000 1.088 386 T CB 0.481 69.355 68.868 0.010 0.000 0.946 386 T HN 0.651 nan 8.240 nan 0.000 0.480 387 T N -1.822 112.696 114.554 -0.060 0.000 2.910 387 T HA 0.773 5.123 4.350 0.000 0.000 0.287 387 T C 1.599 176.258 174.700 -0.068 0.000 1.050 387 T CA -0.218 61.846 62.100 -0.062 0.000 1.011 387 T CB 1.472 70.315 68.868 -0.041 0.000 1.195 387 T HN 0.103 nan 8.240 nan 0.000 0.540 388 A N 0.801 123.582 122.820 -0.064 0.000 1.958 388 A HA 0.077 4.397 4.320 0.000 0.000 0.221 388 A C 2.614 180.173 177.584 -0.042 0.000 1.178 388 A CA 2.527 54.530 52.037 -0.057 0.000 0.642 388 A CB -1.658 17.312 19.000 -0.050 0.000 0.816 388 A HN 1.434 nan 8.150 nan 0.000 0.453 389 A N 0.546 123.346 122.820 -0.034 0.000 1.917 389 A HA -0.278 4.042 4.320 0.000 0.000 0.219 389 A C 1.802 179.376 177.584 -0.018 0.000 1.182 389 A CA 2.164 54.188 52.037 -0.023 0.000 0.633 389 A CB -0.859 18.130 19.000 -0.017 0.000 0.819 389 A HN 0.648 nan 8.150 nan 0.000 0.448 390 N N 0.662 119.350 118.700 -0.021 0.000 2.094 390 N HA -0.207 4.533 4.740 0.000 0.000 0.191 390 N C 1.471 176.975 175.510 -0.010 0.000 1.023 390 N CA 1.866 54.908 53.050 -0.012 0.000 0.857 390 N CB -0.848 37.628 38.487 -0.018 0.000 1.013 390 N HN 0.741 nan 8.380 nan 0.000 0.426 391 I N -1.921 118.634 120.570 -0.025 0.000 2.300 391 I HA -0.281 3.889 4.170 0.000 0.000 0.252 391 I C 1.140 177.258 176.117 0.001 0.000 1.119 391 I CA 1.266 62.555 61.300 -0.019 0.000 1.384 391 I CB -1.258 36.721 38.000 -0.034 0.000 1.062 391 I HN 0.091 nan 8.210 nan 0.000 0.426 392 T N -0.123 114.428 114.554 -0.005 0.000 13.467 392 T HA -0.362 3.988 4.350 0.000 0.000 0.419 392 T C 0.617 175.313 174.700 -0.006 0.000 1.441 392 T CA 2.258 64.353 62.100 -0.008 0.000 2.354 392 T CB -1.803 67.056 68.868 -0.014 0.000 2.797 392 T HN 1.206 nan 8.240 nan 0.000 0.557 393 A N 1.944 124.765 122.820 0.000 0.000 2.310 393 A HA 0.693 5.013 4.320 0.000 0.000 0.304 393 A C -0.181 177.407 177.584 0.007 0.000 1.231 393 A CA -0.746 51.293 52.037 0.003 0.000 0.799 393 A CB 0.229 19.231 19.000 0.004 0.000 1.162 393 A HN 0.807 nan 8.150 nan 0.000 0.486 394 I N 1.685 122.255 120.570 -0.001 0.000 2.281 394 I HA 0.480 4.650 4.170 0.000 0.000 0.293 394 I C 0.270 176.385 176.117 -0.003 0.000 1.085 394 I CA -0.262 61.034 61.300 -0.007 0.000 1.257 394 I CB 0.873 38.868 38.000 -0.009 0.000 1.430 394 I HN 0.411 nan 8.210 nan 0.000 0.489 395 T N 2.899 117.445 114.554 -0.013 0.000 2.770 395 T HA 0.492 4.842 4.350 0.000 0.000 0.297 395 T C 0.011 174.692 174.700 -0.032 0.000 0.997 395 T CA -0.769 61.330 62.100 -0.001 0.000 0.949 395 T CB 1.058 69.937 68.868 0.018 0.000 0.941 395 T HN 0.341 nan 8.240 nan 0.000 0.457 396 V N 5.219 125.129 119.914 -0.006 0.000 2.420 396 V HA 0.022 4.142 4.120 0.000 0.000 0.274 396 V C 1.378 177.491 176.094 0.032 0.000 1.003 396 V CA -0.069 62.227 62.300 -0.006 0.000 1.092 396 V CB -0.471 31.368 31.823 0.027 0.000 1.002 396 V HN 0.899 nan 8.190 nan 0.000 0.473 397 V N 3.384 123.327 119.914 0.049 0.000 2.581 397 V HA 0.048 4.168 4.120 0.000 0.000 0.240 397 V C 1.120 177.317 176.094 0.171 0.000 1.054 397 V CA 0.969 63.355 62.300 0.143 0.000 1.076 397 V CB 0.315 32.281 31.823 0.238 0.000 0.748 397 V HN 0.799 nan 8.190 nan 0.000 0.474 398 S N 0.397 116.232 115.700 0.224 0.000 2.328 398 S HA 0.727 5.197 4.470 0.000 0.000 0.204 398 S C 0.393 175.073 174.600 0.134 0.000 1.475 398 S CA 0.319 58.648 58.200 0.216 0.000 1.148 398 S CB 1.209 64.583 63.200 0.290 0.000 1.077 398 S HN 0.490 nan 8.310 nan 0.000 0.479 399 A N 1.360 124.232 122.820 0.086 0.000 2.295 399 A HA 0.799 5.119 4.320 0.000 0.000 0.193 399 A C 1.210 178.824 177.584 0.051 0.000 1.512 399 A CA 0.733 52.803 52.037 0.055 0.000 1.103 399 A CB -0.414 18.598 19.000 0.021 0.000 1.331 399 A HN 1.383 nan 8.150 nan 0.000 0.501 400 A N -0.469 122.381 122.820 0.049 0.000 5.218 400 A HA -0.049 4.271 4.320 0.000 0.000 0.318 400 A C 1.530 179.121 177.584 0.011 0.000 1.887 400 A CA 1.342 53.401 52.037 0.037 0.000 0.712 400 A CB -2.040 16.991 19.000 0.052 0.000 1.343 400 A HN 2.115 nan 8.150 nan 0.000 0.377 401 G N -0.297 108.511 108.800 0.013 0.000 2.494 401 G HA2 0.609 4.569 3.960 0.000 0.000 0.297 401 G HA3 0.609 4.569 3.960 0.000 0.000 0.297 401 G C 0.197 175.086 174.900 -0.017 0.000 0.971 401 G CA 1.058 46.153 45.100 -0.009 0.000 1.378 401 G HN 2.104 nan 8.290 nan 0.000 0.456 402 A N 2.937 125.725 122.820 -0.052 0.000 3.078 402 A HA 0.587 4.907 4.320 0.000 0.000 0.279 402 A C 1.209 178.750 177.584 -0.072 0.000 1.594 402 A CA 0.144 52.146 52.037 -0.058 0.000 1.301 402 A CB -0.206 18.756 19.000 -0.063 0.000 1.162 402 A HN 0.892 nan 8.150 nan 0.000 0.585 403 S N 0.127 115.801 115.700 -0.043 0.000 3.657 403 S HA 0.930 5.400 4.470 0.000 0.000 0.183 403 S C 0.331 174.920 174.600 -0.018 0.000 0.995 403 S CA 0.249 58.432 58.200 -0.029 0.000 1.333 403 S CB 0.361 63.545 63.200 -0.027 0.000 1.197 403 S HN 2.124 nan 8.310 nan 0.000 0.856 404 A N -0.247 122.571 122.820 -0.004 0.000 2.519 404 A HA 0.639 4.959 4.320 0.000 0.000 0.298 404 A C -2.116 175.483 177.584 0.025 0.000 0.963 404 A CA -0.249 51.795 52.037 0.013 0.000 0.624 404 A CB 0.002 18.990 19.000 -0.019 0.000 1.356 404 A HN 1.396 nan 8.150 nan 0.000 0.441 405 I N 0.028 120.632 120.570 0.056 0.000 2.775 405 I HA 0.503 4.673 4.170 0.000 0.000 0.295 405 I C -0.963 175.205 176.117 0.085 0.000 1.287 405 I CA -0.468 60.862 61.300 0.050 0.000 1.029 405 I CB 2.102 40.122 38.000 0.034 0.000 1.282 405 I HN 0.570 nan 8.210 nan 0.000 0.426 406 N N 6.732 125.463 118.700 0.051 0.000 2.736 406 N HA 0.139 4.879 4.740 0.000 0.000 0.307 406 N C 0.783 176.320 175.510 0.045 0.000 1.212 406 N CA 0.272 53.356 53.050 0.056 0.000 1.158 406 N CB -0.208 38.295 38.487 0.027 0.000 1.460 406 N HN 0.539 nan 8.380 nan 0.000 0.514 407 L N -0.298 120.968 121.223 0.071 0.000 2.478 407 L HA 0.087 4.427 4.340 0.000 0.000 0.223 407 L C 1.102 177.912 176.870 -0.100 0.000 1.140 407 L CA -0.088 54.704 54.840 -0.080 0.000 0.842 407 L CB -0.256 41.630 42.059 -0.290 0.000 0.953 407 L HN 0.373 nan 8.230 nan 0.000 0.452 408 A N 0.654 123.516 122.820 0.070 0.000 2.450 408 A HA 0.287 4.607 4.320 0.000 0.000 0.255 408 A C 0.331 177.932 177.584 0.028 0.000 1.096 408 A CA -0.366 51.719 52.037 0.080 0.000 0.778 408 A CB -0.246 18.840 19.000 0.144 0.000 1.031 408 A HN 0.215 nan 8.150 nan 0.000 0.494 409 I N 3.296 123.876 120.570 0.017 0.000 2.710 409 I HA -0.098 4.072 4.170 0.000 0.000 0.307 409 I C 1.079 177.207 176.117 0.018 0.000 1.175 409 I CA 0.455 61.760 61.300 0.008 0.000 2.125 409 I CB -0.960 37.042 38.000 0.004 0.000 1.576 409 I HN 0.741 nan 8.210 nan 0.000 0.995 410 N N 2.109 120.819 118.700 0.017 0.000 2.446 410 N HA -0.071 4.669 4.740 0.000 0.000 0.179 410 N C 1.792 177.310 175.510 0.013 0.000 1.054 410 N CA 0.181 53.242 53.050 0.018 0.000 0.905 410 N CB 0.287 38.784 38.487 0.018 0.000 0.973 410 N HN 0.359 nan 8.380 nan 0.000 0.448 411 V N 0.942 120.862 119.914 0.009 0.000 2.324 411 V HA -0.213 3.907 4.120 0.000 0.000 0.250 411 V C 1.217 177.316 176.094 0.009 0.000 1.060 411 V CA 1.667 63.971 62.300 0.007 0.000 1.042 411 V CB -0.275 31.550 31.823 0.004 0.000 0.650 411 V HN 0.275 nan 8.190 nan 0.000 0.450 412 R N -0.406 120.100 120.500 0.011 0.000 2.700 412 R HA 0.460 4.800 4.340 0.000 0.000 0.377 412 R C 1.226 177.535 176.300 0.016 0.000 1.130 412 R CA 0.549 56.656 56.100 0.012 0.000 1.055 412 R CB 0.409 30.716 30.300 0.011 0.000 1.387 412 R HN 0.457 nan 8.270 nan 0.000 0.580 413 G N -0.115 108.695 108.800 0.016 0.000 2.253 413 G HA2 -0.362 3.598 3.960 0.000 0.000 0.251 413 G HA3 -0.362 3.598 3.960 0.000 0.000 0.251 413 G C 0.053 174.968 174.900 0.025 0.000 0.998 413 G CA -0.102 45.010 45.100 0.020 0.000 0.621 413 G HN 0.397 nan 8.290 nan 0.000 0.524 414 Q N 1.336 121.152 119.800 0.026 0.000 2.361 414 Q HA 0.462 4.802 4.340 0.000 0.000 0.276 414 Q C -2.176 173.849 176.000 0.042 0.000 1.022 414 Q CA -0.375 55.449 55.803 0.034 0.000 0.898 414 Q CB 1.149 29.906 28.738 0.031 0.000 1.246 414 Q HN 0.352 nan 8.270 nan 0.000 0.410 415 P HA 0.283 nan 4.420 nan 0.000 0.192 415 P C -1.210 176.146 177.300 0.094 0.000 1.882 415 P CA -0.535 62.606 63.100 0.068 0.000 1.239 415 P CB 0.778 32.515 31.700 0.062 0.000 1.681 416 R N 2.077 122.633 120.500 0.093 0.000 2.371 416 R HA 0.326 4.666 4.340 0.000 0.000 0.312 416 R C -0.305 176.071 176.300 0.127 0.000 0.980 416 R CA -1.142 55.020 56.100 0.103 0.000 0.867 416 R CB 0.352 30.689 30.300 0.061 0.000 1.163 416 R HN 0.313 nan 8.270 nan 0.000 0.492 417 F N 3.245 123.205 119.950 0.016 0.000 2.332 417 F HA -0.192 4.335 4.527 0.000 0.000 0.390 417 F C 1.346 177.156 175.800 0.017 0.000 1.004 417 F CA 0.572 58.582 58.000 0.016 0.000 0.990 417 F CB -0.056 38.956 39.000 0.021 0.000 0.867 417 F HN 0.555 nan 8.300 nan 0.000 0.519 418 N N 5.965 124.227 118.700 -0.731 0.000 2.237 418 N HA -0.139 4.601 4.740 0.000 0.000 0.245 418 N C 0.190 175.389 175.510 -0.519 0.000 1.239 418 N CA -0.264 52.417 53.050 -0.615 0.000 0.842 418 N CB 0.462 38.612 38.487 -0.561 0.000 1.089 418 N HN 0.612 nan 8.380 nan 0.000 0.454 419 M N 2.549 122.021 119.600 -0.213 0.000 2.435 419 M HA 0.184 4.664 4.480 0.000 0.000 0.338 419 M C -1.061 175.222 176.300 -0.028 0.000 1.628 419 M CA -0.250 55.011 55.300 -0.065 0.000 1.215 419 M CB 0.160 32.753 32.600 -0.011 0.000 1.905 419 M HN 0.370 nan 8.290 nan 0.000 0.457 420 L N 4.129 125.406 121.223 0.090 0.000 2.334 420 L HA 0.356 4.696 4.340 0.000 0.000 0.277 420 L C -0.718 176.256 176.870 0.174 0.000 1.075 420 L CA 0.053 54.996 54.840 0.171 0.000 0.804 420 L CB 1.018 43.272 42.059 0.325 0.000 1.174 420 L HN 0.730 nan 8.230 nan 0.000 0.438 421 H N 4.231 123.340 119.070 0.065 0.000 2.661 421 H HA 0.482 5.038 4.556 0.000 0.000 0.290 421 H C -1.032 174.328 175.328 0.053 0.000 1.082 421 H CA -0.447 55.630 56.048 0.049 0.000 1.234 421 H CB 0.435 30.214 29.762 0.028 0.000 1.387 421 H HN 0.546 nan 8.280 nan 0.000 0.476 422 L N 3.936 125.131 121.223 -0.046 0.000 2.357 422 L HA 0.367 4.707 4.340 0.000 0.000 0.273 422 L C -0.256 176.551 176.870 -0.105 0.000 1.080 422 L CA -0.718 54.112 54.840 -0.017 0.000 0.803 422 L CB 1.260 43.339 42.059 0.034 0.000 1.174 422 L HN 0.575 nan 8.230 nan 0.000 0.443 423 Q N 2.278 122.063 119.800 -0.024 0.000 2.304 423 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 423 Q C -1.136 174.862 176.000 -0.003 0.000 1.035 423 Q CA -0.478 55.304 55.803 -0.035 0.000 0.781 423 Q CB 2.388 31.144 28.738 0.030 0.000 1.261 423 Q HN 0.670 nan 8.270 nan 0.000 0.444 424 A N 1.858 124.637 122.820 -0.068 0.000 2.536 424 A HA 0.380 4.700 4.320 0.000 0.000 0.329 424 A C 0.367 177.968 177.584 0.028 0.000 1.321 424 A CA -0.716 51.319 52.037 -0.003 0.000 0.804 424 A CB 0.006 18.928 19.000 -0.130 0.000 1.126 424 A HN 0.636 nan 8.150 nan 0.000 0.480 425 T N 0.623 115.203 114.554 0.043 0.000 3.235 425 T HA -0.047 4.303 4.350 0.000 0.000 0.211 425 T C 0.049 174.764 174.700 0.025 0.000 0.983 425 T CA 0.009 62.120 62.100 0.019 0.000 2.783 425 T CB -1.216 67.656 68.868 0.008 0.000 1.023 425 T HN 0.514 nan 8.240 nan 0.000 0.506 426 F N 3.551 123.489 119.950 -0.020 0.000 2.616 426 F HA 0.211 4.738 4.527 0.000 0.000 0.331 426 F C 0.023 175.816 175.800 -0.012 0.000 1.309 426 F CA -1.272 56.722 58.000 -0.010 0.000 1.068 426 F CB -0.752 38.228 39.000 -0.034 0.000 1.464 426 F HN 0.415 nan 8.300 nan 0.000 0.667 427 E N 6.192 126.160 120.200 -0.386 0.000 2.101 427 E HA 0.103 4.453 4.350 0.000 0.000 0.260 427 E C 1.266 177.765 176.600 -0.168 0.000 0.897 427 E CA -0.327 55.867 56.400 -0.344 0.000 0.744 427 E CB 0.734 30.335 29.700 -0.165 0.000 1.140 427 E HN 0.707 nan 8.360 nan 0.000 0.419 428 R N 1.916 122.270 120.500 -0.244 0.000 2.211 428 R HA -0.186 4.154 4.340 0.000 0.000 0.240 428 R C 0.677 176.997 176.300 0.032 0.000 1.144 428 R CA 1.393 57.522 56.100 0.047 0.000 0.992 428 R CB -0.066 30.316 30.300 0.136 0.000 0.869 428 R HN 0.208 nan 8.270 nan 0.000 0.462 429 E N 0.876 121.063 120.200 -0.021 0.000 2.153 429 E HA -0.100 4.250 4.350 0.000 0.000 0.194 429 E C 1.807 178.410 176.600 0.005 0.000 0.988 429 E CA 1.908 58.303 56.400 -0.008 0.000 0.811 429 E CB -0.152 29.532 29.700 -0.026 0.000 0.746 429 E HN 0.375 nan 8.360 nan 0.000 0.466 430 T N 0.599 115.156 114.554 0.006 0.000 2.721 430 T HA -0.187 4.163 4.350 0.000 0.000 0.268 430 T C 1.715 176.434 174.700 0.032 0.000 1.038 430 T CA 1.512 63.625 62.100 0.022 0.000 1.145 430 T CB -0.173 68.714 68.868 0.031 0.000 0.858 430 T HN 0.149 nan 8.240 nan 0.000 0.459 431 I N 0.104 120.701 120.570 0.045 0.000 3.616 431 I HA 0.098 4.268 4.170 0.000 0.000 0.296 431 I C 0.945 177.079 176.117 0.027 0.000 1.226 431 I CA 0.366 61.687 61.300 0.036 0.000 1.394 431 I CB -0.242 37.785 38.000 0.044 0.000 1.171 431 I HN 0.191 nan 8.210 nan 0.000 0.442 432 T N 0.032 114.608 114.554 0.037 0.000 3.882 432 T HA -0.129 4.221 4.350 0.000 0.000 0.366 432 T C 0.878 175.601 174.700 0.039 0.000 0.760 432 T CA 0.261 62.383 62.100 0.035 0.000 1.931 432 T CB -2.593 66.289 68.868 0.023 0.000 1.807 432 T HN 1.340 nan 8.240 nan 0.000 0.790 433 G N 1.501 110.332 108.800 0.050 0.000 2.575 433 G HA2 -0.086 3.874 3.960 0.000 0.000 0.267 433 G HA3 -0.086 3.874 3.960 0.000 0.000 0.267 433 G C 0.690 175.595 174.900 0.009 0.000 1.264 433 G CA 0.484 45.614 45.100 0.049 0.000 0.935 433 G HN 1.779 nan 8.290 nan 0.000 0.568 434 I N -2.670 117.921 120.570 0.035 0.000 4.519 434 I HA -0.232 3.938 4.170 0.000 0.000 0.056 434 I C -1.566 174.415 176.117 -0.227 0.000 0.610 434 I CA 2.009 63.298 61.300 -0.020 0.000 0.951 434 I CB -1.921 36.075 38.000 -0.007 0.000 0.858 434 I HN 0.742 nan 8.210 nan 0.000 0.164 435 P HA 0.266 nan 4.420 nan 0.000 0.219 435 P C -0.733 176.243 177.300 -0.542 0.000 1.847 435 P CA -0.131 62.687 63.100 -0.471 0.000 1.110 435 P CB -0.581 30.974 31.700 -0.242 0.000 1.839 436 Y N 1.058 121.273 120.300 -0.141 0.000 3.073 436 Y HA -0.064 4.486 4.550 0.000 0.000 0.343 436 Y C 1.096 176.576 175.900 -0.701 0.000 1.274 436 Y CA -0.382 57.520 58.100 -0.331 0.000 1.554 436 Y CB -0.587 37.679 38.460 -0.323 0.000 1.250 436 Y HN 0.152 nan 8.280 nan 0.000 0.622 437 I N 4.232 124.531 120.570 -0.452 0.000 2.325 437 I HA 0.250 4.420 4.170 0.000 0.000 0.291 437 I C -0.540 175.308 176.117 -0.448 0.000 1.019 437 I CA -0.194 60.880 61.300 -0.376 0.000 1.302 437 I CB -0.130 37.797 38.000 -0.122 0.000 1.401 437 I HN 0.460 nan 8.210 nan 0.000 0.485 438 Y N 3.772 124.103 120.300 0.053 0.000 2.602 438 Y HA 0.913 5.463 4.550 0.000 0.000 0.342 438 Y C 0.572 176.496 175.900 0.039 0.000 1.029 438 Y CA -1.324 56.804 58.100 0.047 0.000 1.080 438 Y CB 2.179 40.666 38.460 0.045 0.000 1.284 438 Y HN 0.558 nan 8.280 nan 0.000 0.485 439 G N 0.671 109.608 108.800 0.229 0.000 2.703 439 G HA2 0.553 4.513 3.960 0.000 0.000 0.294 439 G HA3 0.553 4.513 3.960 0.000 0.000 0.294 439 G C -2.634 172.302 174.900 0.061 0.000 1.451 439 G CA -0.637 44.495 45.100 0.054 0.000 0.869 439 G HN 0.552 nan 8.290 nan 0.000 0.516 440 L N 0.386 121.511 121.223 -0.163 0.000 2.303 440 L HA 0.983 5.323 4.340 0.000 0.000 0.256 440 L C 0.273 177.134 176.870 -0.016 0.000 1.034 440 L CA -0.456 54.357 54.840 -0.044 0.000 0.832 440 L CB 2.375 44.393 42.059 -0.068 0.000 1.403 440 L HN 0.916 nan 8.230 nan 0.000 0.419 441 G N -0.090 108.733 108.800 0.040 0.000 2.470 441 G HA2 0.610 4.570 3.960 0.000 0.000 0.320 441 G HA3 0.610 4.570 3.960 0.000 0.000 0.320 441 G C -1.313 173.546 174.900 -0.069 0.000 1.245 441 G CA -0.270 44.852 45.100 0.037 0.000 0.935 441 G HN 0.668 nan 8.290 nan 0.000 0.476 442 T N 0.964 115.453 114.554 -0.109 0.000 3.289 442 T HA 0.329 4.679 4.350 0.000 0.000 0.370 442 T C -0.768 173.837 174.700 -0.159 0.000 1.546 442 T CA -0.690 61.298 62.100 -0.186 0.000 1.144 442 T CB 0.250 69.138 68.868 0.034 0.000 1.379 442 T HN 0.973 nan 8.240 nan 0.000 0.478 443 F N 4.469 124.351 119.950 -0.112 0.000 2.583 443 F HA 0.392 4.919 4.527 0.000 0.000 0.330 443 F C -0.052 175.483 175.800 -0.442 0.000 1.298 443 F CA -1.268 56.603 58.000 -0.215 0.000 1.099 443 F CB -1.452 37.441 39.000 -0.178 0.000 1.540 443 F HN 0.379 nan 8.300 nan 0.000 0.673 444 L N 4.201 125.190 121.223 -0.390 0.000 2.326 444 L HA 0.574 4.914 4.340 0.000 0.000 0.278 444 L C -0.506 176.141 176.870 -0.372 0.000 1.092 444 L CA -0.531 53.784 54.840 -0.874 0.000 0.810 444 L CB 1.058 42.844 42.059 -0.456 0.000 1.153 444 L HN 0.663 nan 8.230 nan 0.000 0.439 445 I N 5.862 126.310 120.570 -0.203 0.000 2.569 445 I HA 0.424 4.594 4.170 0.000 0.000 0.296 445 I C -2.014 174.188 176.117 0.142 0.000 1.028 445 I CA -2.327 59.018 61.300 0.074 0.000 1.082 445 I CB 2.675 40.801 38.000 0.209 0.000 1.264 445 I HN 0.528 nan 8.210 nan 0.000 0.429 446 P HA -0.055 nan 4.420 nan 0.000 0.214 446 P C 0.099 177.474 177.300 0.125 0.000 1.162 446 P CA 0.614 63.808 63.100 0.155 0.000 0.871 446 P CB 0.189 31.981 31.700 0.154 0.000 0.783 447 S N 0.954 116.712 115.700 0.097 0.000 2.481 447 S HA 0.147 4.617 4.470 0.000 0.000 0.282 447 S C -2.320 172.312 174.600 0.053 0.000 1.243 447 S CA -1.347 56.895 58.200 0.071 0.000 1.078 447 S CB -0.779 62.455 63.200 0.056 0.000 0.916 447 S HN -0.129 nan 8.310 nan 0.000 0.495 448 P HA 0.084 nan 4.420 nan 0.000 0.264 448 P C -0.492 176.776 177.300 -0.054 0.000 1.193 448 P CA 0.006 63.105 63.100 -0.003 0.000 0.763 448 P CB 0.339 32.033 31.700 -0.009 0.000 0.810 449 T N -0.564 113.922 114.554 -0.114 0.000 2.795 449 T HA 0.273 4.623 4.350 0.000 0.000 0.282 449 T C 0.301 174.897 174.700 -0.172 0.000 0.980 449 T CA -0.781 61.176 62.100 -0.238 0.000 1.012 449 T CB 0.566 69.120 68.868 -0.524 0.000 0.936 449 T HN 0.146 nan 8.240 nan 0.000 0.457 450 S N 2.954 118.569 115.700 -0.142 0.000 2.670 450 S HA 0.085 4.555 4.470 0.000 0.000 0.328 450 S C 1.713 176.293 174.600 -0.033 0.000 1.179 450 S CA -0.187 57.971 58.200 -0.070 0.000 1.194 450 S CB -0.769 62.407 63.200 -0.039 0.000 1.359 450 S HN 0.860 nan 8.310 nan 0.000 0.555 451 S N 4.091 119.765 115.700 -0.043 0.000 2.389 451 S HA -0.196 4.274 4.470 0.000 0.000 0.231 451 S C 2.232 176.821 174.600 -0.018 0.000 1.052 451 S CA 2.387 60.570 58.200 -0.029 0.000 1.053 451 S CB -0.633 62.533 63.200 -0.057 0.000 0.886 451 S HN 1.003 nan 8.310 nan 0.000 0.456 452 S N 1.829 117.519 115.700 -0.018 0.000 2.348 452 S HA -0.153 4.317 4.470 0.000 0.000 0.221 452 S C 1.644 176.246 174.600 0.003 0.000 1.033 452 S CA 1.494 59.687 58.200 -0.013 0.000 1.010 452 S CB -1.127 62.065 63.200 -0.013 0.000 0.891 452 S HN 0.653 nan 8.310 nan 0.000 0.442 453 N N 1.884 120.595 118.700 0.018 0.000 2.000 453 N HA -0.049 4.691 4.740 0.000 0.000 0.198 453 N C 0.596 176.169 175.510 0.105 0.000 1.057 453 N CA 1.368 54.447 53.050 0.048 0.000 0.858 453 N CB -0.828 37.683 38.487 0.040 0.000 1.057 453 N HN 0.562 nan 8.380 nan 0.000 0.423 454 F N 1.983 121.881 119.950 -0.088 0.000 2.626 454 F HA 0.229 4.756 4.527 0.000 0.000 0.353 454 F C 1.216 176.973 175.800 -0.072 0.000 1.230 454 F CA -0.872 57.075 58.000 -0.088 0.000 1.298 454 F CB -0.378 38.508 39.000 -0.190 0.000 1.670 454 F HN 0.062 nan 8.300 nan 0.000 0.633 455 S N 1.303 116.920 115.700 -0.138 0.000 2.420 455 S HA -0.278 4.192 4.470 0.000 0.000 0.237 455 S C 1.040 175.420 174.600 -0.366 0.000 1.023 455 S CA 0.782 58.854 58.200 -0.213 0.000 0.991 455 S CB -0.794 62.341 63.200 -0.108 0.000 0.792 455 S HN 0.767 nan 8.310 nan 0.000 0.488 456 N N 3.323 121.677 118.700 -0.578 0.000 2.440 456 N HA 0.040 4.780 4.740 0.000 0.000 0.265 456 N C -1.344 173.748 175.510 -0.697 0.000 1.239 456 N CA -1.274 51.426 53.050 -0.583 0.000 0.909 456 N CB 1.135 39.282 38.487 -0.566 0.000 1.066 456 N HN 0.133 nan 8.380 nan 0.000 0.474 457 P HA -0.069 nan 4.420 nan 0.000 0.205 457 P C 0.303 177.652 177.300 0.081 0.000 1.193 457 P CA 1.317 64.352 63.100 -0.108 0.000 0.929 457 P CB 0.152 31.826 31.700 -0.043 0.000 0.772 458 T N -2.272 112.342 114.554 0.099 0.000 3.168 458 T HA 0.330 4.680 4.350 0.000 0.000 0.373 458 T C -1.276 173.387 174.700 -0.063 0.000 1.681 458 T CA -0.617 61.599 62.100 0.194 0.000 1.135 458 T CB -0.176 68.786 68.868 0.157 0.000 1.477 458 T HN -0.117 nan 8.240 nan 0.000 0.480 459 L N 3.970 125.102 121.223 -0.152 0.000 3.108 459 L HA 0.472 4.812 4.340 0.000 0.000 0.251 459 L C 0.964 177.656 176.870 -0.295 0.000 1.315 459 L CA -0.246 54.481 54.840 -0.187 0.000 1.048 459 L CB 0.317 42.411 42.059 0.058 0.000 1.432 459 L HN 0.551 nan 8.230 nan 0.000 0.543 460 M N 1.749 121.043 119.600 -0.510 0.000 3.011 460 M HA 0.102 4.582 4.480 0.000 0.000 0.292 460 M C -0.651 175.539 176.300 -0.184 0.000 1.440 460 M CA 0.460 55.521 55.300 -0.399 0.000 1.552 460 M CB -0.130 32.163 32.600 -0.512 0.000 1.187 460 M HN 0.226 nan 8.290 nan 0.000 0.520 461 D N 3.336 123.662 120.400 -0.123 0.000 2.518 461 D HA 0.308 4.948 4.640 0.000 0.000 0.230 461 D C 0.309 176.598 176.300 -0.018 0.000 1.138 461 D CA 0.057 54.013 54.000 -0.073 0.000 0.964 461 D CB 1.179 41.914 40.800 -0.108 0.000 1.011 461 D HN 0.729 nan 8.370 nan 0.000 0.517 462 G N 0.907 109.710 108.800 0.005 0.000 3.407 462 G HA2 0.439 4.399 3.960 0.000 0.000 0.187 462 G HA3 0.439 4.399 3.960 0.000 0.000 0.187 462 G C -0.772 174.159 174.900 0.052 0.000 1.262 462 G CA -0.208 44.914 45.100 0.038 0.000 0.808 462 G HN 0.304 nan 8.290 nan 0.000 0.687 463 L N -0.451 120.807 121.223 0.058 0.000 2.330 463 L HA 0.836 5.176 4.340 0.000 0.000 0.271 463 L C -1.436 175.479 176.870 0.075 0.000 1.013 463 L CA -0.836 54.046 54.840 0.070 0.000 0.816 463 L CB 2.084 44.177 42.059 0.056 0.000 1.287 463 L HN 0.321 nan 8.230 nan 0.000 0.435 464 L N 3.063 124.361 121.223 0.125 0.000 2.454 464 L HA 0.474 4.814 4.340 0.000 0.000 0.258 464 L C -0.795 176.207 176.870 0.220 0.000 1.025 464 L CA 0.161 55.092 54.840 0.150 0.000 0.901 464 L CB 1.198 43.376 42.059 0.199 0.000 1.210 464 L HN 0.633 nan 8.230 nan 0.000 0.457 465 T N 3.888 118.503 114.554 0.103 0.000 2.997 465 T HA 0.285 4.635 4.350 0.000 0.000 0.311 465 T C 0.208 174.952 174.700 0.073 0.000 1.079 465 T CA -0.249 61.905 62.100 0.089 0.000 0.982 465 T CB 0.282 69.160 68.868 0.017 0.000 1.032 465 T HN 0.254 nan 8.240 nan 0.000 0.581 466 V N 4.712 124.717 119.914 0.152 0.000 2.458 466 V HA 0.019 4.139 4.120 0.000 0.000 0.287 466 V C 1.101 177.206 176.094 0.019 0.000 1.009 466 V CA 0.227 62.539 62.300 0.021 0.000 1.091 466 V CB 0.088 31.817 31.823 -0.156 0.000 0.960 466 V HN 0.815 nan 8.190 nan 0.000 0.476 467 T N 9.075 123.619 114.554 -0.016 0.000 3.364 467 T HA 0.173 4.523 4.350 0.000 0.000 0.323 467 T C -2.010 172.670 174.700 -0.033 0.000 1.323 467 T CA -0.867 61.223 62.100 -0.017 0.000 1.073 467 T CB 0.208 69.068 68.868 -0.014 0.000 1.150 467 T HN 0.576 nan 8.240 nan 0.000 0.727 468 P HA 0.059 nan 4.420 nan 0.000 0.244 468 P C 1.481 178.759 177.300 -0.036 0.000 1.723 468 P CA -0.135 62.940 63.100 -0.043 0.000 1.110 468 P CB -0.243 31.438 31.700 -0.030 0.000 1.972 469 V N 1.086 120.969 119.914 -0.051 0.000 2.317 469 V HA -0.215 3.905 4.120 0.000 0.000 0.251 469 V C 1.340 177.409 176.094 -0.041 0.000 1.065 469 V CA 1.309 63.581 62.300 -0.046 0.000 1.049 469 V CB -1.460 30.328 31.823 -0.059 0.000 0.651 469 V HN 0.194 nan 8.190 nan 0.000 0.450 470 L N 0.734 121.924 121.223 -0.054 0.000 2.387 470 L HA 0.370 4.710 4.340 0.000 0.000 0.267 470 L C 1.018 177.877 176.870 -0.019 0.000 1.197 470 L CA 0.194 55.008 54.840 -0.042 0.000 1.070 470 L CB 0.309 42.330 42.059 -0.064 0.000 1.349 470 L HN 0.153 nan 8.230 nan 0.000 0.422 471 L N 2.234 123.453 121.223 -0.006 0.000 2.450 471 L HA -0.031 4.309 4.340 0.000 0.000 0.224 471 L C 1.078 177.959 176.870 0.019 0.000 1.149 471 L CA 0.780 55.627 54.840 0.012 0.000 0.816 471 L CB -0.583 41.484 42.059 0.014 0.000 0.932 471 L HN 0.413 nan 8.230 nan 0.000 0.449 472 R N 1.695 122.200 120.500 0.008 0.000 2.345 472 R HA 0.078 4.418 4.340 0.000 0.000 0.331 472 R C -0.078 176.233 176.300 0.017 0.000 1.067 472 R CA 0.078 56.185 56.100 0.012 0.000 0.962 472 R CB -0.782 29.520 30.300 0.003 0.000 0.987 472 R HN 0.245 nan 8.270 nan 0.000 0.451 473 E N 1.292 121.511 120.200 0.032 0.000 6.247 473 E HA -0.131 4.219 4.350 0.000 0.000 0.184 473 E C -1.215 175.413 176.600 0.047 0.000 1.139 473 E CA 0.175 56.598 56.400 0.038 0.000 1.420 473 E CB -0.449 29.267 29.700 0.027 0.000 0.963 473 E HN 0.692 nan 8.360 nan 0.000 0.328 474 T N 1.696 116.290 114.554 0.067 0.000 2.884 474 T HA 0.342 4.692 4.350 0.000 0.000 0.298 474 T C 0.520 175.268 174.700 0.080 0.000 0.998 474 T CA -0.196 61.948 62.100 0.074 0.000 1.124 474 T CB 1.392 70.320 68.868 0.099 0.000 0.931 474 T HN 0.275 nan 8.240 nan 0.000 0.531 475 T N 3.257 117.857 114.554 0.075 0.000 2.853 475 T HA 0.073 4.423 4.350 0.000 0.000 0.298 475 T C -0.510 174.269 174.700 0.133 0.000 0.978 475 T CA -0.037 62.119 62.100 0.094 0.000 1.152 475 T CB -0.306 68.602 68.868 0.068 0.000 0.914 475 T HN 0.650 nan 8.240 nan 0.000 0.539 476 Y N 4.324 124.625 120.300 0.001 0.000 2.676 476 Y HA 0.248 4.798 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 -0.817 57.278 58.100 -0.008 0.000 1.314 476 Y CB -0.271 38.175 38.460 -0.023 0.000 1.164 476 Y HN 0.704 nan 8.280 nan 0.000 0.509 477 K N 4.403 124.754 120.400 -0.082 0.000 4.387 477 K HA -0.238 4.082 4.320 0.000 0.000 0.290 477 K C 1.022 177.646 176.600 0.040 0.000 0.936 477 K CA 0.650 56.887 56.287 -0.083 0.000 0.890 477 K CB -1.685 30.672 32.500 -0.237 0.000 1.617 477 K HN 1.155 nan 8.250 nan 0.000 0.437 478 G N 0.798 109.640 108.800 0.069 0.000 2.382 478 G HA2 -0.392 3.568 3.960 0.000 0.000 0.259 478 G HA3 -0.392 3.568 3.960 0.000 0.000 0.259 478 G C 0.008 174.964 174.900 0.094 0.000 1.009 478 G CA 0.894 46.047 45.100 0.088 0.000 0.625 478 G HN 0.612 nan 8.290 nan 0.000 0.541 479 E N 0.961 121.233 120.200 0.121 0.000 1.932 479 E HA 0.387 4.737 4.350 0.000 0.000 0.275 479 E C 0.361 177.025 176.600 0.108 0.000 1.159 479 E CA -0.495 55.978 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 0.168 nan 8.360 nan 0.000 0.400 480 V N 4.881 124.842 119.914 0.079 0.000 2.399 480 V HA -0.035 4.085 4.120 0.000 0.000 0.245 480 V C 0.225 176.348 176.094 0.049 0.000 1.089 480 V CA 0.339 62.678 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 0.333 nan 8.190 nan 0.000 0.482 481 V N 3.772 123.717 119.914 0.051 0.000 2.715 481 V HA 0.397 4.517 4.120 0.000 0.000 0.310 481 V C 0.841 176.949 176.094 0.024 0.000 1.054 481 V CA -0.578 61.737 62.300 0.025 0.000 0.928 481 V CB 2.303 34.124 31.823 -0.003 0.000 1.007 481 V HN 0.745 nan 8.190 nan 0.000 0.437 482 D N 3.952 124.359 120.400 0.012 0.000 2.348 482 D HA 0.151 4.791 4.640 0.000 0.000 0.248 482 D C 0.239 176.549 176.300 0.016 0.000 1.142 482 D CA 0.604 54.615 54.000 0.017 0.000 0.904 482 D CB 0.453 41.261 40.800 0.014 0.000 0.901 482 D HN 0.557 nan 8.370 nan 0.000 0.523 483 A N 0.826 123.644 122.820 -0.003 0.000 2.356 483 A HA 0.545 4.865 4.320 0.000 0.000 0.310 483 A C -0.688 176.877 177.584 -0.032 0.000 1.075 483 A CA -0.571 51.447 52.037 -0.032 0.000 0.746 483 A CB 1.525 20.462 19.000 -0.105 0.000 1.221 483 A HN -0.008 nan 8.150 nan 0.000 0.443 484 I N 3.830 124.385 120.570 -0.024 0.000 2.411 484 I HA 0.314 4.484 4.170 0.000 0.000 0.284 484 I C -0.101 175.912 176.117 -0.174 0.000 1.012 484 I CA -0.701 60.532 61.300 -0.113 0.000 1.119 484 I CB 1.182 39.019 38.000 -0.271 0.000 1.261 484 I HN 0.458 nan 8.210 nan 0.000 0.448 485 V N 6.098 125.934 119.914 -0.130 0.000 2.250 485 V HA 0.421 4.541 4.120 0.000 0.000 0.268 485 V C -2.180 173.915 176.094 0.003 0.000 1.043 485 V CA -1.608 60.638 62.300 -0.091 0.000 0.814 485 V CB 1.068 32.803 31.823 -0.148 0.000 1.072 485 V HN 0.327 nan 8.190 nan 0.000 0.451 486 P HA -0.146 nan 4.420 nan 0.000 0.213 486 P C 1.946 179.257 177.300 0.020 0.000 1.170 486 P CA 2.786 65.856 63.100 -0.050 0.000 0.898 486 P CB 0.224 31.910 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 -0.209 4.111 4.320 0.000 0.000 0.221 487 A C 2.090 179.697 177.584 0.038 0.000 1.165 487 A CA 2.573 54.624 52.037 0.024 0.000 0.645 487 A CB -1.928 17.081 19.000 0.016 0.000 0.807 487 A HN 0.387 nan 8.150 nan 0.000 0.453 488 T N -3.113 111.484 114.554 0.071 0.000 3.067 488 T HA 0.057 4.407 4.350 0.000 0.000 0.257 488 T C 1.552 176.339 174.700 0.144 0.000 1.105 488 T CA 0.901 63.066 62.100 0.108 0.000 1.104 488 T CB -0.371 68.582 68.868 0.141 0.000 0.925 488 T HN 0.099 nan 8.240 nan 0.000 0.498 489 V N 0.899 120.893 119.914 0.134 0.000 2.490 489 V HA -0.019 4.101 4.120 0.000 0.000 0.250 489 V C 1.585 177.671 176.094 -0.014 0.000 1.061 489 V CA 0.752 63.056 62.300 0.005 0.000 1.064 489 V CB -1.064 30.735 31.823 -0.041 0.000 0.670 489 V HN 0.497 nan 8.190 nan 0.000 0.461 490 M N 0.667 120.273 119.600 0.010 0.000 2.240 490 M HA 0.259 4.739 4.480 0.000 0.000 0.346 490 M C 1.027 177.328 176.300 0.003 0.000 1.236 490 M CA 0.808 56.111 55.300 0.005 0.000 0.986 490 M CB -0.499 32.105 32.600 0.008 0.000 1.786 490 M HN 0.515 nan 8.290 nan 0.000 0.457 491 A N 3.743 126.563 122.820 -0.000 0.000 2.799 491 A HA -0.238 4.082 4.320 0.000 0.000 0.274 491 A C 0.539 178.120 177.584 -0.006 0.000 1.393 491 A CA 1.639 53.676 52.037 -0.001 0.000 0.909 491 A CB -2.415 16.587 19.000 0.002 0.000 1.012 491 A HN 0.911 nan 8.150 nan 0.000 0.653 492 N N -0.357 118.333 118.700 -0.017 0.000 2.351 492 N HA 0.128 4.868 4.740 0.000 0.000 0.254 492 N C -0.604 174.878 175.510 -0.046 0.000 1.241 492 N CA 0.078 53.111 53.050 -0.029 0.000 0.883 492 N CB 0.640 39.110 38.487 -0.027 0.000 1.202 492 N HN 0.625 nan 8.380 nan 0.000 0.512 493 Q N 0.773 120.554 119.800 -0.033 0.000 2.263 493 Q HA 0.202 4.542 4.340 0.000 0.000 0.262 493 Q C -0.245 175.748 176.000 -0.012 0.000 0.984 493 Q CA -0.308 55.478 55.803 -0.029 0.000 0.813 493 Q CB 2.122 30.838 28.738 -0.037 0.000 1.299 493 Q HN 0.188 nan 8.270 nan 0.000 0.428 494 T N -1.775 112.774 114.554 -0.009 0.000 2.899 494 T HA 0.341 4.691 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 -0.351 61.747 62.100 -0.002 0.000 1.043 494 T CB 1.107 69.973 68.868 -0.005 0.000 1.013 494 T HN 0.332 nan 8.240 nan 0.000 0.518 495 S N 0.399 116.103 115.700 0.007 0.000 2.370 495 S HA -0.136 4.334 4.470 0.000 0.000 0.226 495 S C 1.992 176.604 174.600 0.021 0.000 1.033 495 S CA 0.954 59.162 58.200 0.013 0.000 1.011 495 S CB -0.469 62.736 63.200 0.009 0.000 0.852 495 S HN 0.795 nan 8.310 nan 0.000 0.457 496 E N 1.152 121.362 120.200 0.016 0.000 2.097 496 E HA -0.203 4.147 4.350 0.000 0.000 0.196 496 E C 1.985 178.606 176.600 0.034 0.000 1.000 496 E CA 1.268 57.681 56.400 0.022 0.000 0.804 496 E CB -0.159 29.546 29.700 0.008 0.000 0.740 496 E HN 0.619 nan 8.360 nan 0.000 0.454 497 E N -0.407 119.807 120.200 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 1.229 57.645 56.400 0.027 0.000 0.799 497 E CB 0.080 29.782 29.700 0.003 0.000 0.752 497 E HN 0.062 nan 8.360 nan 0.000 0.449 498 V N 1.676 121.617 119.914 0.045 0.000 2.252 498 V HA -0.339 3.781 4.120 0.000 0.000 0.249 498 V C 2.409 178.564 176.094 0.102 0.000 1.056 498 V CA 2.036 64.371 62.300 0.057 0.000 1.022 498 V CB -1.027 30.818 31.823 0.037 0.000 0.641 498 V HN 0.341 nan 8.190 nan 0.000 0.445 499 A N 1.031 123.908 122.820 0.095 0.000 1.892 499 A HA -0.279 4.041 4.320 0.000 0.000 0.218 499 A C 2.578 180.322 177.584 0.266 0.000 1.188 499 A CA 2.930 55.044 52.037 0.128 0.000 0.631 499 A CB -0.998 18.052 19.000 0.082 0.000 0.822 499 A HN 0.754 nan 8.150 nan 0.000 0.447 500 S N 0.512 116.361 115.700 0.249 0.000 2.368 500 S HA 0.173 4.643 4.470 0.000 0.000 0.225 500 S C 1.304 176.187 174.600 0.471 0.000 1.030 500 S CA 0.668 59.059 58.200 0.318 0.000 0.999 500 S CB -1.203 62.056 63.200 0.098 0.000 0.844 500 S HN 1.357 nan 8.310 nan 0.000 0.459 501 A N 2.174 125.193 122.820 0.332 0.000 2.587 501 A HA 0.328 4.648 4.320 0.000 0.000 0.233 501 A C 0.463 178.231 177.584 0.308 0.000 1.049 501 A CA -0.127 52.087 52.037 0.294 0.000 0.754 501 A CB -0.498 18.595 19.000 0.154 0.000 0.977 501 A HN 0.608 nan 8.150 nan 0.000 0.509 502 L N 1.860 123.149 121.223 0.111 0.000 2.483 502 L HA 0.088 4.428 4.340 0.000 0.000 0.276 502 L C 1.950 178.868 176.870 0.080 0.000 1.213 502 L CA 0.218 55.027 54.840 -0.052 0.000 0.843 502 L CB 0.212 42.113 42.059 -0.263 0.000 1.107 502 L HN 0.954 nan 8.230 nan 0.000 0.487 503 A N 2.651 125.536 122.820 0.108 0.000 1.971 503 A HA -0.260 4.060 4.320 0.000 0.000 0.222 503 A C 1.803 179.415 177.584 0.046 0.000 1.182 503 A CA 2.188 54.271 52.037 0.076 0.000 0.649 503 A CB -0.675 18.359 19.000 0.057 0.000 0.818 503 A HN 0.937 nan 8.150 nan 0.000 0.458 504 N N 0.569 119.284 118.700 0.024 0.000 2.535 504 N HA -0.061 4.679 4.740 0.000 0.000 0.203 504 N C -0.974 174.562 175.510 0.043 0.000 1.301 504 N CA 0.374 53.441 53.050 0.029 0.000 0.859 504 N CB -0.335 38.154 38.487 0.004 0.000 1.055 504 N HN 0.453 nan 8.380 nan 0.000 0.457 505 D N -0.478 119.950 120.400 0.045 0.000 2.502 505 D HA 0.256 4.896 4.640 0.000 0.000 0.249 505 D C 0.856 177.170 176.300 0.022 0.000 1.092 505 D CA -0.292 53.729 54.000 0.035 0.000 0.839 505 D CB 2.146 42.961 40.800 0.025 0.000 1.264 505 D HN 0.112 nan 8.370 nan 0.000 0.511 506 A N 4.888 127.711 122.820 0.006 0.000 1.913 506 A HA -0.316 4.004 4.320 0.000 0.000 0.236 506 A C 2.185 179.739 177.584 -0.049 0.000 1.760 506 A CA 2.489 54.499 52.037 -0.045 0.000 0.740 506 A CB -1.034 17.938 19.000 -0.046 0.000 0.847 506 A HN 0.790 nan 8.150 nan 0.000 0.508 507 I N -0.115 120.427 120.570 -0.047 0.000 2.103 507 I HA -0.331 3.839 4.170 0.000 0.000 0.241 507 I C 2.433 178.559 176.117 0.016 0.000 1.036 507 I CA 2.941 64.231 61.300 -0.018 0.000 1.300 507 I CB -2.326 35.664 38.000 -0.016 0.000 1.010 507 I HN 0.577 nan 8.210 nan 0.000 0.406 508 V N -0.308 119.622 119.914 0.025 0.000 2.667 508 V HA -0.113 4.007 4.120 0.000 0.000 0.252 508 V C 2.665 178.763 176.094 0.008 0.000 1.065 508 V CA 1.195 63.508 62.300 0.023 0.000 1.083 508 V CB -1.109 30.730 31.823 0.026 0.000 0.692 508 V HN 0.434 nan 8.190 nan 0.000 0.468 509 L N 0.197 121.450 121.223 0.050 0.000 2.046 509 L HA -0.086 4.254 4.340 0.000 0.000 0.208 509 L C 2.681 179.572 176.870 0.035 0.000 1.077 509 L CA 1.510 56.405 54.840 0.091 0.000 0.747 509 L CB -0.827 41.431 42.059 0.333 0.000 0.896 509 L HN 0.246 nan 8.230 nan 0.000 0.432 510 V N -1.274 118.757 119.914 0.194 0.000 2.270 510 V HA -0.283 3.837 4.120 0.000 0.000 0.245 510 V C 2.669 178.837 176.094 0.122 0.000 1.043 510 V CA 2.024 64.475 62.300 0.252 0.000 1.014 510 V CB -0.621 31.280 31.823 0.131 0.000 0.645 510 V HN 0.409 nan 8.190 nan 0.000 0.447 511 S N 0.352 116.090 115.700 0.064 0.000 2.374 511 S HA -0.262 4.208 4.470 0.000 0.000 0.227 511 S C 1.901 176.506 174.600 0.010 0.000 1.037 511 S CA 2.168 60.405 58.200 0.062 0.000 1.024 511 S CB -0.535 62.692 63.200 0.045 0.000 0.861 511 S HN 0.675 nan 8.310 nan 0.000 0.456 512 N N 0.587 119.225 118.700 -0.103 0.000 2.104 512 N HA -0.087 4.653 4.740 0.000 0.000 0.190 512 N C 1.447 176.875 175.510 -0.137 0.000 1.024 512 N CA 1.841 54.794 53.050 -0.162 0.000 0.853 512 N CB -0.568 37.761 38.487 -0.263 0.000 1.008 512 N HN 0.651 nan 8.380 nan 0.000 0.424 513 H N -0.111 119.018 119.070 0.100 0.000 2.321 513 H HA 0.016 4.572 4.556 0.000 0.000 0.300 513 H C 1.896 177.288 175.328 0.106 0.000 1.087 513 H CA 0.939 57.034 56.048 0.078 0.000 1.319 513 H CB -0.158 29.655 29.762 0.085 0.000 1.379 513 H HN 0.085 nan 8.280 nan 0.000 0.501 514 L N 0.552 121.909 121.223 0.223 0.000 2.189 514 L HA -0.238 4.102 4.340 0.000 0.000 0.214 514 L C 1.747 178.778 176.870 0.268 0.000 1.097 514 L CA 1.194 56.193 54.840 0.265 0.000 0.764 514 L CB -0.333 41.911 42.059 0.308 0.000 0.900 514 L HN 0.356 nan 8.230 nan 0.000 0.436 515 N N -0.188 118.599 118.700 0.145 0.000 2.188 515 N HA -0.138 4.602 4.740 0.000 0.000 0.184 515 N C 1.670 177.228 175.510 0.081 0.000 1.018 515 N CA 0.932 54.029 53.050 0.078 0.000 0.858 515 N CB -0.013 38.491 38.487 0.028 0.000 0.989 515 N HN 0.290 nan 8.380 nan 0.000 0.426 516 K N 0.277 120.735 120.400 0.097 0.000 2.057 516 K HA -0.098 4.222 4.320 0.000 0.000 0.207 516 K C 1.802 178.462 176.600 0.100 0.000 1.049 516 K CA 0.741 57.081 56.287 0.089 0.000 0.931 516 K CB -0.295 32.261 32.500 0.093 0.000 0.714 516 K HN 0.092 nan 8.250 nan 0.000 0.440 517 L N 1.540 122.845 121.223 0.137 0.000 1.989 517 L HA -0.202 4.138 4.340 0.000 0.000 0.211 517 L C 2.344 179.322 176.870 0.180 0.000 1.071 517 L CA 1.985 56.917 54.840 0.152 0.000 0.749 517 L CB -0.733 41.435 42.059 0.182 0.000 0.890 517 L HN 0.173 nan 8.230 nan 0.000 0.431 518 A N -0.520 122.435 122.820 0.225 0.000 1.917 518 A HA -0.353 3.967 4.320 0.000 0.000 0.219 518 A C 2.190 179.812 177.584 0.062 0.000 1.182 518 A CA 2.322 54.439 52.037 0.133 0.000 0.633 518 A CB -1.246 17.744 19.000 -0.017 0.000 0.819 518 A HN 0.685 nan 8.150 nan 0.000 0.448 519 N N -0.561 118.170 118.700 0.051 0.000 2.061 519 N HA -0.151 4.589 4.740 0.000 0.000 0.193 519 N C 1.512 177.046 175.510 0.039 0.000 1.030 519 N CA 1.814 54.884 53.050 0.034 0.000 0.856 519 N CB -0.243 38.263 38.487 0.032 0.000 1.023 519 N HN 0.204 nan 8.380 nan 0.000 0.424 520 V N -0.134 119.811 119.914 0.053 0.000 2.261 520 V HA -0.229 3.891 4.120 0.000 0.000 0.246 520 V C 2.192 178.317 176.094 0.052 0.000 1.047 520 V CA 1.646 63.976 62.300 0.050 0.000 1.015 520 V CB -0.563 31.293 31.823 0.056 0.000 0.642 520 V HN 0.221 nan 8.190 nan 0.000 0.446 521 V N 0.990 120.947 119.914 0.071 0.000 2.295 521 V HA -0.166 3.954 4.120 0.000 0.000 0.246 521 V C 2.635 178.763 176.094 0.057 0.000 1.049 521 V CA 2.172 64.518 62.300 0.076 0.000 1.024 521 V CB -1.694 30.198 31.823 0.113 0.000 0.648 521 V HN 0.580 nan 8.190 nan 0.000 0.447 522 G N -0.725 108.101 108.800 0.043 0.000 2.408 522 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 522 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 522 G C 1.345 176.259 174.900 0.023 0.000 1.150 522 G CA 0.890 46.007 45.100 0.028 0.000 0.776 522 G HN 0.495 nan 8.290 nan 0.000 0.542 523 D N 0.341 120.755 120.400 0.024 0.000 2.194 523 D HA 0.076 4.716 4.640 0.000 0.000 0.204 523 D C 2.613 178.927 176.300 0.022 0.000 0.964 523 D CA 1.054 55.066 54.000 0.020 0.000 0.846 523 D CB 0.257 41.068 40.800 0.018 0.000 0.962 523 D HN 0.348 nan 8.370 nan 0.000 0.490 524 A N -0.052 122.785 122.820 0.028 0.000 1.963 524 A HA 0.170 4.490 4.320 0.000 0.000 0.207 524 A C 0.939 178.543 177.584 0.033 0.000 1.243 524 A CA 0.098 52.152 52.037 0.029 0.000 0.728 524 A CB 0.411 19.428 19.000 0.029 0.000 0.895 524 A HN 0.017 nan 8.150 nan 0.000 0.467 525 I N 1.286 121.880 120.570 0.041 0.000 2.392 525 I HA 0.312 4.482 4.170 0.000 0.000 0.295 525 I C -2.199 173.944 176.117 0.044 0.000 0.985 525 I CA -2.280 59.048 61.300 0.047 0.000 1.221 525 I CB 1.779 39.815 38.000 0.060 0.000 1.366 525 I HN 0.042 nan 8.210 nan 0.000 0.467 526 P HA 0.049 nan 4.420 nan 0.000 0.225 526 P C 0.336 177.662 177.300 0.043 0.000 1.813 526 P CA 0.004 63.125 63.100 0.036 0.000 1.013 526 P CB -0.061 31.656 31.700 0.028 0.000 1.961 527 V N -1.113 118.829 119.914 0.047 0.000 3.252 527 V HA 0.493 4.613 4.120 0.000 0.000 0.350 527 V C 0.951 177.066 176.094 0.034 0.000 1.329 527 V CA -0.300 62.030 62.300 0.050 0.000 1.258 527 V CB -0.711 31.152 31.823 0.066 0.000 1.208 527 V HN 0.237 nan 8.190 nan 0.000 0.462 528 A N 0.565 123.401 122.820 0.027 0.000 2.645 528 A HA 0.456 4.776 4.320 0.000 0.000 0.245 528 A C 1.273 178.867 177.584 0.016 0.000 1.758 528 A CA 0.338 52.385 52.037 0.018 0.000 0.850 528 A CB -0.547 18.462 19.000 0.015 0.000 1.656 528 A HN 0.495 nan 8.150 nan 0.000 0.641 529 S N 1.281 116.987 115.700 0.011 0.000 3.737 529 S HA 0.170 4.640 4.470 0.000 0.000 0.182 529 S C 0.538 175.146 174.600 0.012 0.000 1.072 529 S CA 0.916 59.122 58.200 0.010 0.000 1.014 529 S CB -1.114 62.089 63.200 0.006 0.000 1.471 529 S HN 0.757 nan 8.310 nan 0.000 0.447 530 R N -2.211 118.300 120.500 0.018 0.000 2.628 530 R HA -0.117 4.223 4.340 0.000 0.000 0.494 530 R C -0.495 175.818 176.300 0.022 0.000 0.637 530 R CA 0.536 56.648 56.100 0.021 0.000 1.264 530 R CB -3.010 27.300 30.300 0.016 0.000 2.025 530 R HN 0.463 nan 8.270 nan 0.000 0.385 531 T N -0.410 114.158 114.554 0.023 0.000 2.978 531 T HA 0.258 4.608 4.350 0.000 0.000 0.278 531 T C -0.099 174.621 174.700 0.033 0.000 0.945 531 T CA -0.204 61.908 62.100 0.020 0.000 1.070 531 T CB 1.169 70.046 68.868 0.016 0.000 0.948 531 T HN 0.183 nan 8.240 nan 0.000 0.617 532 D N 2.883 123.299 120.400 0.026 0.000 2.338 532 D HA 0.220 4.860 4.640 0.000 0.000 0.255 532 D C -0.550 175.745 176.300 -0.007 0.000 1.237 532 D CA -0.180 53.844 54.000 0.040 0.000 0.883 532 D CB 0.673 41.481 40.800 0.015 0.000 1.087 532 D HN 0.661 nan 8.370 nan 0.000 0.485 533 D N 0.954 121.381 120.400 0.045 0.000 2.217 533 D HA 0.139 4.779 4.640 0.000 0.000 0.243 533 D C 1.322 177.676 176.300 0.091 0.000 1.054 533 D CA -0.457 53.564 54.000 0.035 0.000 0.838 533 D CB 1.200 42.021 40.800 0.034 0.000 1.162 533 D HN 0.201 nan 8.370 nan 0.000 0.472 534 S N 3.053 118.755 115.700 0.004 0.000 2.432 534 S HA -0.388 4.082 4.470 0.000 0.000 0.243 534 S C 2.128 176.864 174.600 0.226 0.000 1.069 534 S CA 1.420 59.682 58.200 0.103 0.000 1.047 534 S CB -0.771 62.446 63.200 0.029 0.000 0.854 534 S HN 0.591 nan 8.310 nan 0.000 0.474 535 A N 2.157 125.068 122.820 0.153 0.000 1.971 535 A HA -0.167 4.153 4.320 0.000 0.000 0.222 535 A C 2.542 180.234 177.584 0.181 0.000 1.182 535 A CA 2.604 54.728 52.037 0.145 0.000 0.649 535 A CB -2.026 17.035 19.000 0.101 0.000 0.818 535 A HN 1.077 nan 8.150 nan 0.000 0.458 536 T N -1.407 113.302 114.554 0.259 0.000 3.163 536 T HA -0.006 4.344 4.350 0.000 0.000 0.260 536 T C 1.482 176.273 174.700 0.152 0.000 1.156 536 T CA 1.199 63.442 62.100 0.238 0.000 1.072 536 T CB -0.768 68.288 68.868 0.313 0.000 0.937 536 T HN 0.614 nan 8.240 nan 0.000 0.528 537 S N 1.273 117.130 115.700 0.261 0.000 2.469 537 S HA 0.103 4.573 4.470 0.000 0.000 0.238 537 S C 2.303 176.841 174.600 -0.103 0.000 0.998 537 S CA 0.486 58.741 58.200 0.092 0.000 0.957 537 S CB -0.592 62.813 63.200 0.343 0.000 0.764 537 S HN 0.740 nan 8.310 nan 0.000 0.514 538 A N 3.159 125.952 122.820 -0.044 0.000 1.873 538 A HA 0.066 4.386 4.320 0.000 0.000 0.215 538 A C 2.262 179.785 177.584 -0.102 0.000 1.186 538 A CA 1.342 53.349 52.037 -0.050 0.000 0.616 538 A CB -0.859 18.131 19.000 -0.016 0.000 0.823 538 A HN 0.695 nan 8.150 nan 0.000 0.442 539 I N -1.725 118.770 120.570 -0.125 0.000 2.286 539 I HA -0.132 4.038 4.170 0.000 0.000 0.248 539 I C 1.889 177.864 176.117 -0.235 0.000 1.115 539 I CA 1.611 62.819 61.300 -0.154 0.000 1.392 539 I CB -0.812 37.117 38.000 -0.118 0.000 1.065 539 I HN 0.072 nan 8.210 nan 0.000 0.418 540 V N 1.579 121.258 119.914 -0.392 0.000 2.453 540 V HA -0.178 3.942 4.120 0.000 0.000 0.247 540 V C 2.755 178.633 176.094 -0.360 0.000 1.048 540 V CA 2.064 64.040 62.300 -0.540 0.000 1.049 540 V CB -0.843 30.276 31.823 -1.174 0.000 0.672 540 V HN 0.450 nan 8.190 nan 0.000 0.457 541 S N 0.068 115.617 115.700 -0.252 0.000 2.382 541 S HA -0.235 4.235 4.470 0.000 0.000 0.228 541 S C 2.137 176.686 174.600 -0.085 0.000 1.027 541 S CA 1.632 59.764 58.200 -0.114 0.000 0.991 541 S CB -0.363 62.801 63.200 -0.060 0.000 0.823 541 S HN 0.421 nan 8.310 nan 0.000 0.469 542 R N 1.339 121.782 120.500 -0.095 0.000 2.075 542 R HA 0.154 4.494 4.340 0.000 0.000 0.232 542 R C 2.105 178.362 176.300 -0.072 0.000 1.126 542 R CA 1.116 57.173 56.100 -0.071 0.000 0.963 542 R CB -0.926 29.332 30.300 -0.070 0.000 0.858 542 R HN 0.389 nan 8.270 nan 0.000 0.435 543 L N -0.462 120.697 121.223 -0.108 0.000 2.042 543 L HA -0.173 4.167 4.340 0.000 0.000 0.210 543 L C 2.335 179.166 176.870 -0.066 0.000 1.076 543 L CA 1.523 56.305 54.840 -0.097 0.000 0.749 543 L CB -0.543 41.423 42.059 -0.156 0.000 0.893 543 L HN 0.300 nan 8.230 nan 0.000 0.432 544 A N -0.593 122.159 122.820 -0.114 0.000 1.908 544 A HA -0.157 4.163 4.320 0.000 0.000 0.218 544 A C 2.191 179.768 177.584 -0.012 0.000 1.181 544 A CA 1.974 53.959 52.037 -0.087 0.000 0.627 544 A CB -0.720 18.196 19.000 -0.141 0.000 0.818 544 A HN 0.265 nan 8.150 nan 0.000 0.445 545 V N -0.462 119.443 119.914 -0.016 0.000 2.591 545 V HA -0.232 3.888 4.120 0.000 0.000 0.249 545 V C 2.411 178.495 176.094 -0.017 0.000 1.053 545 V CA 1.742 64.037 62.300 -0.009 0.000 1.068 545 V CB -1.031 30.789 31.823 -0.004 0.000 0.689 545 V HN 0.600 nan 8.190 nan 0.000 0.462 546 Q N -0.204 119.590 119.800 -0.010 0.000 2.170 546 Q HA -0.232 4.108 4.340 0.000 0.000 0.203 546 Q C 1.925 177.926 176.000 0.000 0.000 0.976 546 Q CA 1.555 57.355 55.803 -0.005 0.000 0.858 546 Q CB -0.287 28.450 28.738 -0.001 0.000 0.907 546 Q HN 0.686 nan 8.270 nan 0.000 0.433 547 H N 0.883 119.926 119.070 -0.045 0.000 2.611 547 H HA 0.095 4.651 4.556 0.000 0.000 0.283 547 H C -0.234 175.079 175.328 -0.025 0.000 1.075 547 H CA 0.440 56.465 56.048 -0.039 0.000 1.184 547 H CB -0.275 29.454 29.762 -0.055 0.000 1.294 547 H HN -0.161 nan 8.280 nan 0.000 0.619 548 K N 0.878 121.133 120.400 -0.241 0.000 2.333 548 K HA 0.143 4.463 4.320 0.000 0.000 0.241 548 K C -0.802 175.685 176.600 -0.189 0.000 1.193 548 K CA -0.315 55.835 56.287 -0.228 0.000 1.142 548 K CB -0.792 31.644 32.500 -0.108 0.000 1.731 548 K HN 0.145 nan 8.250 nan 0.000 0.344 549 L N 1.867 122.915 121.223 -0.293 0.000 2.384 549 L HA 0.179 4.519 4.340 0.000 0.000 0.258 549 L C 0.106 176.906 176.870 -0.118 0.000 1.266 549 L CA 0.240 54.977 54.840 -0.173 0.000 1.162 549 L CB 0.209 42.183 42.059 -0.142 0.000 1.375 549 L HN 0.298 nan 8.230 nan 0.000 0.420 550 S N 1.086 116.737 115.700 -0.083 0.000 2.489 550 S HA 0.670 5.140 4.470 0.000 0.000 0.291 550 S C 0.052 174.632 174.600 -0.035 0.000 1.151 550 S CA -0.583 57.585 58.200 -0.054 0.000 1.082 550 S CB 1.169 64.343 63.200 -0.043 0.000 1.019 550 S HN 0.549 nan 8.310 nan 0.000 0.492 551 Q N 1.332 121.118 119.800 -0.024 0.000 3.182 551 Q HA 0.554 4.894 4.340 0.000 0.000 0.212 551 Q C -0.561 175.432 176.000 -0.012 0.000 1.099 551 Q CA -0.668 55.126 55.803 -0.015 0.000 0.680 551 Q CB 0.028 28.760 28.738 -0.011 0.000 3.554 551 Q HN 0.623 nan 8.270 nan 0.000 0.361 552 V N -1.138 118.771 119.914 -0.007 0.000 2.439 552 V HA 0.845 4.965 4.120 0.000 0.000 0.282 552 V C 0.593 176.686 176.094 -0.003 0.000 1.039 552 V CA 0.413 62.710 62.300 -0.005 0.000 0.913 552 V CB 0.177 31.998 31.823 -0.004 0.000 0.983 552 V HN 0.910 nan 8.190 nan 0.000 0.460 553 G N 3.413 112.212 108.800 -0.002 0.000 2.652 553 G HA2 -0.296 3.664 3.960 0.000 0.000 0.278 553 G HA3 -0.296 3.664 3.960 0.000 0.000 0.278 553 G C 0.374 175.275 174.900 0.001 0.000 1.263 553 G CA 0.566 45.666 45.100 0.000 0.000 0.966 553 G HN 1.352 nan 8.290 nan 0.000 0.544 554 Q N 2.302 122.104 119.800 0.003 0.000 2.452 554 Q HA 0.546 4.886 4.340 0.000 0.000 0.230 554 Q C 0.782 176.784 176.000 0.003 0.000 1.180 554 Q CA 0.477 56.282 55.803 0.005 0.000 0.914 554 Q CB -0.063 28.680 28.738 0.007 0.000 1.408 554 Q HN 1.131 nan 8.270 nan 0.000 0.520 555 A N 2.988 125.807 122.820 -0.001 0.000 2.346 555 A HA 0.087 4.407 4.320 0.000 0.000 0.255 555 A C 0.315 177.899 177.584 0.001 0.000 1.113 555 A CA -0.031 52.002 52.037 -0.008 0.000 0.798 555 A CB 0.316 19.304 19.000 -0.020 0.000 1.073 555 A HN 0.773 nan 8.150 nan 0.000 0.502 556 S N 1.385 117.082 115.700 -0.004 0.000 3.106 556 S HA 0.123 4.593 4.470 0.000 0.000 0.363 556 S C -1.810 172.822 174.600 0.052 0.000 1.191 556 S CA -0.448 57.769 58.200 0.029 0.000 1.191 556 S CB -0.327 62.892 63.200 0.032 0.000 0.884 556 S HN 0.477 nan 8.310 nan 0.000 0.526 557 P HA 0.201 nan 4.420 nan 0.000 0.225 557 P C -0.898 176.445 177.300 0.072 0.000 1.830 557 P CA -0.509 62.625 63.100 0.057 0.000 1.051 557 P CB -0.216 31.506 31.700 0.038 0.000 1.929 558 T N 2.841 117.460 114.554 0.108 0.000 2.794 558 T HA 0.276 4.626 4.350 0.000 0.000 0.304 558 T C -2.262 172.492 174.700 0.090 0.000 0.973 558 T CA -1.586 60.584 62.100 0.117 0.000 0.972 558 T CB -0.227 68.784 68.868 0.239 0.000 0.952 558 T HN 0.158 nan 8.240 nan 0.000 0.509 559 P HA 0.136 nan 4.420 nan 0.000 0.258 559 P C -2.288 175.070 177.300 0.096 0.000 1.187 559 P CA -1.004 62.141 63.100 0.074 0.000 0.767 559 P CB -0.570 31.165 31.700 0.058 0.000 0.770 560 P HA -0.176 nan 4.420 nan 0.000 0.265 560 P C 0.252 177.652 177.300 0.167 0.000 1.151 560 P CA 0.683 63.917 63.100 0.223 0.000 0.755 560 P CB 0.364 32.281 31.700 0.362 0.000 0.756 561 D N 1.363 121.692 120.400 -0.119 0.000 2.347 561 D HA -0.231 4.409 4.640 0.000 0.000 0.208 561 D C 1.252 177.272 176.300 -0.467 0.000 0.994 561 D CA 1.589 55.328 54.000 -0.435 0.000 0.924 561 D CB -0.596 39.862 40.800 -0.570 0.000 0.892 561 D HN 0.549 nan 8.370 nan 0.000 0.471 562 Y N -0.072 120.339 120.300 0.186 0.000 2.242 562 Y HA -0.030 4.520 4.550 0.000 0.000 0.291 562 Y C -0.390 175.720 175.900 0.350 0.000 1.137 562 Y CA 0.516 58.822 58.100 0.343 0.000 1.181 562 Y CB -1.683 36.941 38.460 0.274 0.000 0.989 562 Y HN 0.227 nan 8.280 nan 0.000 0.527 563 P HA -0.053 nan 4.420 nan 0.000 0.212 563 P C 1.670 179.062 177.300 0.153 0.000 1.171 563 P CA 1.139 64.347 63.100 0.179 0.000 0.892 563 P CB -0.027 31.738 31.700 0.109 0.000 0.769 564 L N -0.910 120.356 121.223 0.072 0.000 1.980 564 L HA -0.248 4.092 4.340 0.000 0.000 0.232 564 L C 2.691 179.551 176.870 -0.017 0.000 1.092 564 L CA 1.765 56.610 54.840 0.010 0.000 0.808 564 L CB -1.675 40.365 42.059 -0.031 0.000 0.908 564 L HN -0.092 nan 8.230 nan 0.000 0.442 565 L N -1.715 119.460 121.223 -0.080 0.000 2.093 565 L HA -0.201 4.139 4.340 0.000 0.000 0.208 565 L C 2.276 179.072 176.870 -0.125 0.000 1.085 565 L CA 1.444 56.201 54.840 -0.138 0.000 0.755 565 L CB -0.780 41.148 42.059 -0.219 0.000 0.904 565 L HN 0.379 nan 8.230 nan 0.000 0.435 566 W N 1.206 122.454 121.300 -0.087 0.000 2.335 566 W HA -0.209 4.451 4.660 0.000 0.000 0.311 566 W C 2.707 179.214 176.519 -0.020 0.000 1.213 566 W CA 1.718 59.040 57.345 -0.039 0.000 1.274 566 W CB -0.390 29.064 29.460 -0.010 0.000 1.148 566 W HN 0.152 nan 8.180 nan 0.000 0.498 567 R N -0.458 120.176 120.500 0.223 0.000 2.075 567 R HA -0.115 4.225 4.340 0.000 0.000 0.232 567 R C 2.282 178.624 176.300 0.070 0.000 1.126 567 R CA 1.583 57.770 56.100 0.144 0.000 0.963 567 R CB -0.562 29.798 30.300 0.100 0.000 0.858 567 R HN 0.091 nan 8.270 nan 0.000 0.435 568 R N 0.722 121.236 120.500 0.024 0.000 2.091 568 R HA -0.117 4.223 4.340 0.000 0.000 0.238 568 R C 2.318 178.609 176.300 -0.014 0.000 1.136 568 R CA 1.656 57.751 56.100 -0.009 0.000 0.959 568 R CB -0.471 29.804 30.300 -0.043 0.000 0.856 568 R HN 0.223 nan 8.270 nan 0.000 0.437 569 A N 1.183 123.979 122.820 -0.040 0.000 1.929 569 A HA -0.157 4.163 4.320 0.000 0.000 0.216 569 A C 2.061 179.644 177.584 -0.000 0.000 1.176 569 A CA 1.401 53.401 52.037 -0.063 0.000 0.628 569 A CB -0.266 18.627 19.000 -0.178 0.000 0.816 569 A HN 0.158 nan 8.150 nan 0.000 0.444 570 K N 0.214 120.651 120.400 0.060 0.000 2.032 570 K HA -0.140 4.180 4.320 0.000 0.000 0.209 570 K C 2.097 178.738 176.600 0.067 0.000 1.048 570 K CA 1.759 58.102 56.287 0.094 0.000 0.927 570 K CB -0.320 32.263 32.500 0.139 0.000 0.712 570 K HN 0.421 nan 8.250 nan 0.000 0.441 571 R N -0.303 120.229 120.500 0.053 0.000 2.133 571 R HA -0.206 4.134 4.340 0.000 0.000 0.245 571 R C 2.361 178.685 176.300 0.039 0.000 1.137 571 R CA 1.912 58.035 56.100 0.039 0.000 0.947 571 R CB -0.682 29.634 30.300 0.026 0.000 0.865 571 R HN 0.373 nan 8.270 nan 0.000 0.437 572 A N 0.644 123.487 122.820 0.037 0.000 1.968 572 A HA -0.018 4.302 4.320 0.000 0.000 0.217 572 A C 2.332 179.974 177.584 0.097 0.000 1.169 572 A CA 1.364 53.433 52.037 0.052 0.000 0.638 572 A CB -0.578 18.440 19.000 0.030 0.000 0.812 572 A HN 0.430 nan 8.150 nan 0.000 0.446 573 A N -0.539 122.338 122.820 0.095 0.000 1.892 573 A HA -0.190 4.130 4.320 0.000 0.000 0.218 573 A C 2.480 180.155 177.584 0.153 0.000 1.188 573 A CA 2.332 54.460 52.037 0.152 0.000 0.631 573 A CB -1.111 17.958 19.000 0.114 0.000 0.822 573 A HN 0.514 nan 8.150 nan 0.000 0.447 574 S N -1.355 114.396 115.700 0.084 0.000 2.353 574 S HA -0.213 4.257 4.470 0.000 0.000 0.222 574 S C 2.040 176.645 174.600 0.008 0.000 1.035 574 S CA 2.125 60.348 58.200 0.039 0.000 1.025 574 S CB -0.384 62.836 63.200 0.034 0.000 0.902 574 S HN 0.401 nan 8.310 nan 0.000 0.440 575 M N 0.602 120.217 119.600 0.026 0.000 2.082 575 M HA -0.021 4.459 4.480 0.000 0.000 0.258 575 M C 1.735 178.027 176.300 -0.012 0.000 1.069 575 M CA 1.381 56.688 55.300 0.011 0.000 1.102 575 M CB -1.144 31.479 32.600 0.038 0.000 1.336 575 M HN 0.483 nan 8.290 nan 0.000 0.404 576 F N 0.239 120.192 119.950 0.006 0.000 2.091 576 F HA -0.214 4.313 4.527 0.000 0.000 0.299 576 F C 2.094 177.901 175.800 0.012 0.000 1.103 576 F CA 1.553 59.559 58.000 0.009 0.000 1.228 576 F CB -0.752 38.254 39.000 0.010 0.000 0.984 576 F HN -0.044 nan 8.300 nan 0.000 0.477 577 V N 0.542 120.146 119.914 -0.516 0.000 2.287 577 V HA -0.333 3.787 4.120 0.000 0.000 0.248 577 V C 2.662 178.575 176.094 -0.302 0.000 1.053 577 V CA 2.194 64.247 62.300 -0.413 0.000 1.027 577 V CB -1.511 30.235 31.823 -0.129 0.000 0.646 577 V HN 0.566 nan 8.190 nan 0.000 0.447 578 S N -0.233 115.351 115.700 -0.193 0.000 2.419 578 S HA -0.141 4.329 4.470 0.000 0.000 0.235 578 S C 1.032 175.550 174.600 -0.137 0.000 1.019 578 S CA 1.434 59.553 58.200 -0.134 0.000 0.982 578 S CB -0.284 62.869 63.200 -0.079 0.000 0.789 578 S HN 0.615 nan 8.310 nan 0.000 0.490 579 N N 0.622 119.211 118.700 -0.184 0.000 2.629 579 N HA 0.337 5.077 4.740 0.000 0.000 0.277 579 N C -2.908 172.470 175.510 -0.220 0.000 1.188 579 N CA -1.634 51.320 53.050 -0.161 0.000 0.835 579 N CB 1.779 40.218 38.487 -0.079 0.000 1.420 579 N HN -0.183 nan 8.380 nan 0.000 0.542 580 P HA -0.162 nan 4.420 nan 0.000 0.217 580 P C 1.403 178.766 177.300 0.106 0.000 1.148 580 P CA 1.496 64.480 63.100 -0.193 0.000 0.828 580 P CB 0.263 31.910 31.700 -0.089 0.000 0.783 581 S N -0.561 115.164 115.700 0.042 0.000 2.419 581 S HA -0.179 4.291 4.470 0.000 0.000 0.235 581 S C 1.886 176.533 174.600 0.078 0.000 1.019 581 S CA 1.118 59.356 58.200 0.064 0.000 0.982 581 S CB -1.812 61.406 63.200 0.030 0.000 0.789 581 S HN 0.100 nan 8.310 nan 0.000 0.490 582 L N 1.325 122.594 121.223 0.076 0.000 2.197 582 L HA -0.187 4.153 4.340 0.000 0.000 0.215 582 L C 3.055 179.993 176.870 0.114 0.000 1.095 582 L CA 1.131 56.022 54.840 0.085 0.000 0.764 582 L CB -0.898 41.207 42.059 0.076 0.000 0.897 582 L HN 0.510 nan 8.230 nan 0.000 0.436 583 A N -0.105 122.824 122.820 0.180 0.000 1.972 583 A HA -0.123 4.197 4.320 0.000 0.000 0.219 583 A C 2.135 179.759 177.584 0.066 0.000 1.169 583 A CA 1.467 53.585 52.037 0.134 0.000 0.635 583 A CB -0.452 18.635 19.000 0.145 0.000 0.810 583 A HN 0.450 nan 8.150 nan 0.000 0.446 584 L N -1.120 120.143 121.223 0.066 0.000 2.529 584 L HA 0.083 4.423 4.340 0.000 0.000 0.223 584 L C 0.567 177.449 176.870 0.020 0.000 1.113 584 L CA 0.003 54.862 54.840 0.033 0.000 0.861 584 L CB -0.030 42.045 42.059 0.028 0.000 1.012 584 L HN 0.333 nan 8.230 nan 0.000 0.461 585 Q N 0.827 120.645 119.800 0.030 0.000 2.314 585 Q HA 0.234 4.574 4.340 0.000 0.000 0.257 585 Q C -0.155 175.854 176.000 0.016 0.000 0.975 585 Q CA -0.420 55.395 55.803 0.020 0.000 0.933 585 Q CB 2.221 30.971 28.738 0.021 0.000 1.195 585 Q HN -0.058 nan 8.270 nan 0.000 0.426 586 V N 3.148 123.066 119.914 0.007 0.000 2.992 586 V HA -0.118 4.002 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 2.199 64.501 62.300 0.004 0.000 1.359 586 V CB 0.091 31.914 31.823 -0.001 0.000 0.914 586 V HN 1.088 nan 8.190 nan 0.000 0.519 587 G N 5.634 114.437 108.800 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 -0.234 174.670 174.900 0.007 0.000 1.040 587 G CA 0.287 45.390 45.100 0.004 0.000 1.004 587 G HN 0.641 nan 8.290 nan 0.000 0.509 588 I N 0.060 120.637 120.570 0.011 0.000 2.321 588 I HA 0.197 4.367 4.170 0.000 0.000 0.291 588 I C -0.418 175.704 176.117 0.010 0.000 0.998 588 I CA -2.323 58.986 61.300 0.016 0.000 1.227 588 I CB 1.134 39.151 38.000 0.029 0.000 1.368 588 I HN -0.087 nan 8.210 nan 0.000 0.466 589 P HA -0.244 nan 4.420 nan 0.000 0.212 589 P C 1.510 178.807 177.300 -0.005 0.000 1.128 589 P CA 1.945 65.044 63.100 -0.001 0.000 0.961 589 P CB 0.209 31.907 31.700 -0.005 0.000 0.782 590 V N -5.110 114.799 119.914 -0.008 0.000 3.523 590 V HA 0.135 4.255 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 0.560 62.850 62.300 -0.017 0.000 1.092 590 V CB -1.253 30.551 31.823 -0.032 0.000 0.817 590 V HN -0.028 nan 8.190 nan 0.000 0.458 591 L N 2.060 123.279 121.223 -0.006 0.000 2.201 591 L HA -0.080 4.260 4.340 0.000 0.000 0.212 591 L C 2.924 179.787 176.870 -0.013 0.000 1.105 591 L CA 1.841 56.674 54.840 -0.011 0.000 0.775 591 L CB -1.154 40.915 42.059 0.016 0.000 0.913 591 L HN 0.587 nan 8.230 nan 0.000 0.440 592 T N -3.108 111.444 114.554 -0.003 0.000 2.792 592 T HA -0.302 4.048 4.350 0.000 0.000 0.268 592 T C 1.267 175.961 174.700 -0.010 0.000 1.059 592 T CA 0.982 63.080 62.100 -0.003 0.000 1.136 592 T CB -0.360 68.508 68.868 -0.000 0.000 0.846 592 T HN 0.161 nan 8.240 nan 0.000 0.489 593 Q N 2.187 121.977 119.800 -0.017 0.000 2.423 593 Q HA 0.259 4.599 4.340 0.000 0.000 0.235 593 Q C 1.426 177.407 176.000 -0.032 0.000 1.100 593 Q CA 0.192 55.982 55.803 -0.021 0.000 0.908 593 Q CB 1.072 29.798 28.738 -0.020 0.000 1.312 593 Q HN 0.660 nan 8.270 nan 0.000 0.497 594 S N 1.653 117.337 115.700 -0.025 0.000 2.420 594 S HA -0.198 4.272 4.470 0.000 0.000 0.237 594 S C 1.690 176.269 174.600 -0.036 0.000 1.023 594 S CA 1.250 59.432 58.200 -0.030 0.000 0.991 594 S CB -0.329 62.862 63.200 -0.015 0.000 0.792 594 S HN 0.700 nan 8.310 nan 0.000 0.488 595 G N 2.118 110.899 108.800 -0.031 0.000 2.529 595 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 595 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 595 G C 1.500 176.371 174.900 -0.047 0.000 1.177 595 G CA 1.318 46.398 45.100 -0.033 0.000 0.773 595 G HN 0.583 nan 8.290 nan 0.000 0.573 596 M N -0.538 119.028 119.600 -0.056 0.000 2.279 596 M HA 0.056 4.536 4.480 0.000 0.000 0.264 596 M C 2.409 178.650 176.300 -0.098 0.000 1.062 596 M CA 0.704 55.960 55.300 -0.074 0.000 1.099 596 M CB -0.198 32.357 32.600 -0.074 0.000 1.394 596 M HN 0.213 nan 8.290 nan 0.000 0.426 597 L N -0.339 120.822 121.223 -0.103 0.000 2.162 597 L HA -0.013 4.327 4.340 0.000 0.000 0.205 597 L C 2.464 179.269 176.870 -0.107 0.000 1.086 597 L CA 1.447 56.198 54.840 -0.149 0.000 0.778 597 L CB -0.344 41.616 42.059 -0.165 0.000 0.928 597 L HN 0.132 nan 8.230 nan 0.000 0.446 598 S N -0.054 115.607 115.700 -0.065 0.000 2.370 598 S HA -0.230 4.240 4.470 0.000 0.000 0.226 598 S C 2.144 176.721 174.600 -0.039 0.000 1.033 598 S CA 1.194 59.370 58.200 -0.040 0.000 1.011 598 S CB -0.729 62.456 63.200 -0.025 0.000 0.852 598 S HN 0.574 nan 8.310 nan 0.000 0.457 599 A N 1.338 124.131 122.820 -0.046 0.000 1.940 599 A HA -0.035 4.285 4.320 0.000 0.000 0.219 599 A C 2.147 179.706 177.584 -0.041 0.000 1.176 599 A CA 1.278 53.291 52.037 -0.041 0.000 0.631 599 A CB -0.706 18.265 19.000 -0.049 0.000 0.814 599 A HN 0.464 nan 8.150 nan 0.000 0.446 600 L N -0.847 120.339 121.223 -0.062 0.000 2.005 600 L HA -0.139 4.201 4.340 0.000 0.000 0.207 600 L C 2.732 179.581 176.870 -0.036 0.000 1.072 600 L CA 2.044 56.850 54.840 -0.057 0.000 0.744 600 L CB -0.607 41.389 42.059 -0.105 0.000 0.895 600 L HN 0.420 nan 8.230 nan 0.000 0.433 601 T N -0.262 114.262 114.554 -0.050 0.000 2.597 601 T HA -0.252 4.098 4.350 0.000 0.000 0.267 601 T C 2.004 176.701 174.700 -0.005 0.000 1.053 601 T CA 2.092 64.178 62.100 -0.024 0.000 1.165 601 T CB -0.538 68.313 68.868 -0.029 0.000 0.863 601 T HN 0.654 nan 8.240 nan 0.000 0.427 602 S N 1.561 117.256 115.700 -0.008 0.000 2.343 602 S HA -0.051 4.419 4.470 0.000 0.000 0.219 602 S C 2.455 177.058 174.600 0.004 0.000 1.033 602 S CA 1.355 59.554 58.200 -0.001 0.000 1.014 602 S CB -1.527 61.671 63.200 -0.003 0.000 0.915 602 S HN 0.568 nan 8.310 nan 0.000 0.435 603 G N 1.576 110.377 108.800 0.002 0.000 2.606 603 G HA2 -0.280 3.680 3.960 0.000 0.000 0.221 603 G HA3 -0.280 3.680 3.960 0.000 0.000 0.221 603 G C 1.511 176.424 174.900 0.022 0.000 1.152 603 G CA 1.269 46.375 45.100 0.011 0.000 0.765 603 G HN 0.510 nan 8.290 nan 0.000 0.595 604 V N 1.410 121.338 119.914 0.023 0.000 2.324 604 V HA -0.107 4.013 4.120 0.000 0.000 0.250 604 V C 2.998 179.109 176.094 0.028 0.000 1.060 604 V CA 2.824 65.143 62.300 0.032 0.000 1.042 604 V CB -0.895 30.951 31.823 0.038 0.000 0.650 604 V HN 0.458 nan 8.190 nan 0.000 0.450 605 G N -0.716 108.096 108.800 0.021 0.000 2.421 605 G HA2 -0.322 3.638 3.960 0.000 0.000 0.216 605 G HA3 -0.322 3.638 3.960 0.000 0.000 0.216 605 G C 1.725 176.635 174.900 0.018 0.000 1.171 605 G CA 1.794 46.905 45.100 0.018 0.000 0.775 605 G HN 0.610 nan 8.290 nan 0.000 0.543 606 T N 0.260 114.824 114.554 0.018 0.000 2.665 606 T HA -0.085 4.265 4.350 0.000 0.000 0.268 606 T C 2.572 177.287 174.700 0.025 0.000 1.035 606 T CA 2.178 64.290 62.100 0.020 0.000 1.151 606 T CB -0.684 68.196 68.868 0.021 0.000 0.862 606 T HN 0.451 nan 8.240 nan 0.000 0.438 607 A N 1.524 124.363 122.820 0.030 0.000 1.940 607 A HA 0.077 4.397 4.320 0.000 0.000 0.219 607 A C 2.456 180.059 177.584 0.031 0.000 1.176 607 A CA 1.590 53.649 52.037 0.036 0.000 0.631 607 A CB -0.896 18.132 19.000 0.045 0.000 0.814 607 A HN 0.576 nan 8.150 nan 0.000 0.446 608 L N -1.625 119.614 121.223 0.027 0.000 2.007 608 L HA -0.121 4.219 4.340 0.000 0.000 0.205 608 L C 2.667 179.547 176.870 0.017 0.000 1.073 608 L CA 1.503 56.356 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 0.419 nan 8.230 nan 0.000 0.435 609 R N 0.083 120.592 120.500 0.015 0.000 2.206 609 R HA -0.256 4.084 4.340 0.000 0.000 0.240 609 R C 1.602 177.910 176.300 0.013 0.000 1.117 609 R CA 2.699 58.806 56.100 0.012 0.000 0.915 609 R CB -0.539 29.768 30.300 0.012 0.000 0.888 609 R HN 0.507 nan 8.270 nan 0.000 0.432 610 T N -2.590 111.973 114.554 0.016 0.000 3.214 610 T HA 0.323 4.673 4.350 0.000 0.000 0.264 610 T C 0.392 175.104 174.700 0.019 0.000 1.012 610 T CA -0.084 62.026 62.100 0.016 0.000 0.901 610 T CB 0.927 69.804 68.868 0.016 0.000 1.070 610 T HN 0.350 nan 8.240 nan 0.000 0.561 611 G N 1.703 110.515 108.800 0.020 0.000 2.378 611 G HA2 0.410 4.370 3.960 0.000 0.000 0.255 611 G HA3 0.410 4.370 3.960 0.000 0.000 0.255 611 G C 0.200 175.111 174.900 0.018 0.000 1.270 611 G CA -0.618 44.495 45.100 0.022 0.000 0.876 611 G HN 0.498 nan 8.290 nan 0.000 0.521 612 S N 3.389 119.100 115.700 0.018 0.000 3.036 612 S HA 0.247 4.717 4.470 0.000 0.000 0.301 612 S C 0.604 175.214 174.600 0.015 0.000 1.205 612 S CA -0.763 57.446 58.200 0.015 0.000 0.999 612 S CB -0.203 63.006 63.200 0.014 0.000 1.337 612 S HN 0.714 nan 8.310 nan 0.000 0.515 613 L N 1.669 122.901 121.223 0.015 0.000 4.094 613 L HA -0.164 4.176 4.340 0.000 0.000 0.466 613 L C 1.107 177.986 176.870 0.016 0.000 0.991 613 L CA 0.314 55.164 54.840 0.015 0.000 0.821 613 L CB -1.947 40.120 42.059 0.015 0.000 1.201 613 L HN 0.797 nan 8.230 nan 0.000 0.757 614 G N 2.850 111.660 108.800 0.017 0.000 2.305 614 G HA2 0.209 4.169 3.960 0.000 0.000 0.281 614 G HA3 0.209 4.169 3.960 0.000 0.000 0.281 614 G C 0.301 175.210 174.900 0.016 0.000 1.085 614 G CA -0.243 44.867 45.100 0.017 0.000 1.211 614 G HN 0.531 nan 8.290 nan 0.000 0.421 615 K N 2.753 123.161 120.400 0.013 0.000 2.530 615 K HA 0.434 4.754 4.320 0.000 0.000 0.230 615 K C 0.726 177.331 176.600 0.009 0.000 1.002 615 K CA -0.517 55.777 56.287 0.012 0.000 1.014 615 K CB 0.717 33.225 32.500 0.012 0.000 1.286 615 K HN 0.406 nan 8.250 nan 0.000 0.480 616 G N 2.661 111.467 108.800 0.010 0.000 2.101 616 G HA2 -0.101 3.859 3.960 0.000 0.000 0.262 616 G HA3 -0.101 3.859 3.960 0.000 0.000 0.262 616 G C 1.206 176.109 174.900 0.005 0.000 1.041 616 G CA 0.143 45.248 45.100 0.007 0.000 1.002 616 G HN 0.537 nan 8.290 nan 0.000 0.403 617 V N 3.385 123.300 119.914 0.003 0.000 2.277 617 V HA -0.314 3.806 4.120 0.000 0.000 0.253 617 V C 3.197 179.292 176.094 0.001 0.000 1.067 617 V CA 3.624 65.924 62.300 0.001 0.000 1.047 617 V CB -0.818 31.004 31.823 -0.002 0.000 0.649 617 V HN 1.041 nan 8.190 nan 0.000 0.447 618 T N -1.704 112.850 114.554 0.001 0.000 2.570 618 T HA -0.336 4.014 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 2.101 64.201 62.100 0.001 0.000 1.172 618 T CB -0.937 67.931 68.868 0.001 0.000 0.864 618 T HN 0.583 nan 8.240 nan 0.000 0.421 619 D N 1.835 122.237 120.400 0.003 0.000 2.178 619 D HA 0.029 4.669 4.640 0.000 0.000 0.201 619 D C 2.281 178.583 176.300 0.003 0.000 0.980 619 D CA 1.238 55.239 54.000 0.003 0.000 0.842 619 D CB -0.613 40.190 40.800 0.005 0.000 0.948 619 D HN 0.548 nan 8.370 nan 0.000 0.472 620 A N 0.252 123.075 122.820 0.004 0.000 1.841 620 A HA -0.199 4.121 4.320 0.000 0.000 0.216 620 A C 2.400 179.986 177.584 0.003 0.000 1.199 620 A CA 2.959 54.998 52.037 0.004 0.000 0.621 620 A CB -1.307 17.695 19.000 0.005 0.000 0.835 620 A HN 0.386 nan 8.150 nan 0.000 0.445 621 S N 0.159 115.860 115.700 0.002 0.000 2.380 621 S HA -0.283 4.187 4.470 0.000 0.000 0.229 621 S C 1.641 176.241 174.600 0.000 0.000 1.043 621 S CA 1.927 60.127 58.200 0.001 0.000 1.038 621 S CB -0.572 62.628 63.200 -0.000 0.000 0.872 621 S HN 0.568 nan 8.310 nan 0.000 0.456 622 E N 1.368 121.568 120.200 -0.000 0.000 2.106 622 E HA 0.014 4.364 4.350 0.000 0.000 0.192 622 E C 2.113 178.712 176.600 -0.001 0.000 0.984 622 E CA 1.059 57.458 56.400 -0.001 0.000 0.806 622 E CB -0.213 29.486 29.700 -0.001 0.000 0.750 622 E HN 0.658 nan 8.360 nan 0.000 0.458 623 K N 0.334 120.734 120.400 -0.000 0.000 2.057 623 K HA -0.133 4.187 4.320 0.000 0.000 0.206 623 K C 2.136 178.736 176.600 0.000 0.000 1.050 623 K CA 0.847 57.134 56.287 0.000 0.000 0.935 623 K CB -0.180 32.321 32.500 0.002 0.000 0.715 623 K HN 0.108 nan 8.250 nan 0.000 0.439 624 L N 1.924 123.148 121.223 0.001 0.000 1.997 624 L HA -0.263 4.077 4.340 0.000 0.000 0.216 624 L C 2.530 179.400 176.870 -0.000 0.000 1.074 624 L CA 1.866 56.707 54.840 0.001 0.000 0.763 624 L CB -0.582 41.478 42.059 0.001 0.000 0.890 624 L HN 0.158 nan 8.230 nan 0.000 0.434 625 R N -0.210 120.289 120.500 -0.001 0.000 2.070 625 R HA -0.154 4.186 4.340 0.000 0.000 0.232 625 R C 2.169 178.466 176.300 -0.004 0.000 1.138 625 R CA 1.691 57.790 56.100 -0.002 0.000 0.936 625 R CB -0.796 29.502 30.300 -0.002 0.000 0.839 625 R HN 0.557 nan 8.270 nan 0.000 0.429 626 A N 1.464 124.281 122.820 -0.005 0.000 1.948 626 A HA -0.191 4.129 4.320 0.000 0.000 0.220 626 A C 2.286 179.865 177.584 -0.009 0.000 1.177 626 A CA 1.631 53.663 52.037 -0.008 0.000 0.636 626 A CB -0.490 18.505 19.000 -0.008 0.000 0.815 626 A HN 0.418 nan 8.150 nan 0.000 0.449 627 R N -0.897 119.600 120.500 -0.005 0.000 2.096 627 R HA -0.147 4.193 4.340 0.000 0.000 0.235 627 R C 2.475 178.774 176.300 -0.002 0.000 1.127 627 R CA 1.623 57.721 56.100 -0.004 0.000 0.968 627 R CB -0.307 29.993 30.300 -0.001 0.000 0.861 627 R HN 0.696 nan 8.270 nan 0.000 0.440 628 Q N 0.144 119.944 119.800 -0.001 0.000 2.016 628 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 628 Q C 2.326 178.325 176.000 -0.002 0.000 0.978 628 Q CA 2.026 57.830 55.803 0.001 0.000 0.833 628 Q CB -0.005 28.734 28.738 0.002 0.000 0.895 628 Q HN 0.382 nan 8.270 nan 0.000 0.427 629 S N 0.755 116.451 115.700 -0.006 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 1.069 59.262 58.200 -0.012 0.000 0.993 629 S CB -0.514 62.678 63.200 -0.013 0.000 0.808 629 S HN 0.296 nan 8.310 nan 0.000 0.478 630 L N 1.995 123.205 121.223 -0.021 0.000 1.989 630 L HA -0.119 4.221 4.340 0.000 0.000 0.211 630 L C 2.685 179.536 176.870 -0.032 0.000 1.071 630 L CA 2.276 57.098 54.840 -0.031 0.000 0.749 630 L CB -1.198 40.845 42.059 -0.026 0.000 0.890 630 L HN 0.329 nan 8.230 nan 0.000 0.431 631 T N -1.003 113.547 114.554 -0.007 0.000 2.635 631 T HA -0.244 4.106 4.350 0.000 0.000 0.267 631 T C 1.894 176.592 174.700 -0.003 0.000 1.040 631 T CA 1.929 64.038 62.100 0.016 0.000 1.156 631 T CB -0.671 68.216 68.868 0.032 0.000 0.863 631 T HN 0.213 nan 8.240 nan 0.000 0.430 632 V N 2.168 122.077 119.914 -0.008 0.000 2.231 632 V HA -0.293 3.827 4.120 0.000 0.000 0.250 632 V C 2.943 179.009 176.094 -0.047 0.000 1.058 632 V CA 2.062 64.354 62.300 -0.014 0.000 1.022 632 V CB -1.459 30.360 31.823 -0.007 0.000 0.640 632 V HN 0.606 nan 8.190 nan 0.000 0.445 633 A N -0.928 121.856 122.820 -0.060 0.000 1.940 633 A HA -0.233 4.087 4.320 0.000 0.000 0.219 633 A C 2.320 179.815 177.584 -0.148 0.000 1.176 633 A CA 1.961 53.949 52.037 -0.082 0.000 0.631 633 A CB -0.476 18.476 19.000 -0.081 0.000 0.814 633 A HN 0.540 nan 8.150 nan 0.000 0.446 634 K N -0.790 119.486 120.400 -0.207 0.000 2.032 634 K HA -0.176 4.144 4.320 0.000 0.000 0.209 634 K C 2.315 178.231 176.600 -1.140 0.000 1.048 634 K CA 1.418 57.430 56.287 -0.459 0.000 0.927 634 K CB -0.243 32.114 32.500 -0.238 0.000 0.712 634 K HN 0.458 nan 8.250 nan 0.000 0.441 635 Q N 0.146 119.641 119.800 -0.509 0.000 2.029 635 Q HA -0.210 4.130 4.340 0.000 0.000 0.209 635 Q C 2.171 178.081 176.000 -0.150 0.000 0.999 635 Q CA 2.025 57.718 55.803 -0.183 0.000 0.857 635 Q CB -0.588 28.189 28.738 0.066 0.000 0.926 635 Q HN 0.357 nan 8.270 nan 0.000 0.415 636 A N 0.441 123.199 122.820 -0.104 0.000 1.948 636 A HA -0.208 4.112 4.320 0.000 0.000 0.220 636 A C 1.929 179.507 177.584 -0.010 0.000 1.177 636 A CA 1.605 53.620 52.037 -0.036 0.000 0.636 636 A CB -0.884 18.107 19.000 -0.014 0.000 0.815 636 A HN 0.422 nan 8.150 nan 0.000 0.449 637 F N 0.274 120.065 119.950 -0.264 0.000 2.069 637 F HA -0.165 4.362 4.527 0.000 0.000 0.298 637 F C 1.834 177.593 175.800 -0.068 0.000 1.113 637 F CA 1.503 59.380 58.000 -0.205 0.000 1.214 637 F CB -0.642 38.172 39.000 -0.311 0.000 0.978 637 F HN 0.205 nan 8.300 nan 0.000 0.474 638 F N 1.454 121.248 119.950 -0.260 0.000 2.126 638 F HA -0.187 4.340 4.527 0.000 0.000 0.299 638 F C 2.383 178.066 175.800 -0.196 0.000 1.096 638 F CA 1.350 59.124 58.000 -0.376 0.000 1.255 638 F CB -1.693 37.204 39.000 -0.172 0.000 0.997 638 F HN 0.045 nan 8.300 nan 0.000 0.479 639 D N -0.053 120.396 120.400 0.082 0.000 2.116 639 D HA -0.212 4.428 4.640 0.000 0.000 0.193 639 D C 2.338 178.668 176.300 0.050 0.000 0.998 639 D CA 1.421 55.458 54.000 0.062 0.000 0.836 639 D CB -0.665 40.168 40.800 0.054 0.000 0.951 639 D HN 0.289 nan 8.370 nan 0.000 0.449 640 Q N 0.710 120.536 119.800 0.042 0.000 2.061 640 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 640 Q C 2.371 178.437 176.000 0.109 0.000 0.984 640 Q CA 1.104 56.949 55.803 0.071 0.000 0.846 640 Q CB -0.451 28.336 28.738 0.082 0.000 0.902 640 Q HN 0.359 nan 8.270 nan 0.000 0.421 641 I N 0.805 121.402 120.570 0.045 0.000 2.208 641 I HA -0.220 3.950 4.170 0.000 0.000 0.245 641 I C 2.493 178.769 176.117 0.266 0.000 1.097 641 I CA 1.244 62.636 61.300 0.154 0.000 1.363 641 I CB -0.740 37.158 38.000 -0.168 0.000 1.051 641 I HN 0.336 nan 8.210 nan 0.000 0.413 642 G N 0.454 109.312 108.800 0.098 0.000 2.469 642 G HA2 -0.348 3.612 3.960 0.000 0.000 0.219 642 G HA3 -0.348 3.612 3.960 0.000 0.000 0.219 642 G C 1.806 176.749 174.900 0.071 0.000 1.150 642 G CA 1.324 46.457 45.100 0.055 0.000 0.763 642 G HN 0.519 nan 8.290 nan 0.000 0.561 643 S N 0.308 116.062 115.700 0.090 0.000 2.356 643 S HA 0.006 4.476 4.470 0.000 0.000 0.223 643 S C 2.363 177.017 174.600 0.089 0.000 1.032 643 S CA 1.336 59.586 58.200 0.083 0.000 1.005 643 S CB -0.376 62.866 63.200 0.071 0.000 0.867 643 S HN 0.271 nan 8.310 nan 0.000 0.449 644 L N -1.175 120.132 121.223 0.140 0.000 2.209 644 L HA 0.304 4.644 4.340 0.000 0.000 0.207 644 L C 1.069 177.838 176.870 -0.168 0.000 1.094 644 L CA 0.452 55.340 54.840 0.079 0.000 0.790 644 L CB 0.087 42.316 42.059 0.283 0.000 0.932 644 L HN 0.597 nan 8.230 nan 0.000 0.447 645 W N 2.367 123.325 121.300 -0.569 0.000 2.409 645 W HA 0.261 4.921 4.660 0.000 0.000 0.285 645 W C -2.553 173.815 176.519 -0.251 0.000 1.030 645 W CA -2.101 54.849 57.345 -0.660 0.000 1.330 645 W CB 1.512 30.196 29.460 -1.293 0.000 1.236 645 W HN -0.232 nan 8.180 nan 0.000 0.341 646 P HA 0.041 nan 4.420 nan 0.000 0.252 646 P C 0.810 177.670 177.300 -0.733 0.000 1.694 646 P CA 0.522 63.523 63.100 -0.164 0.000 1.163 646 P CB -0.230 31.465 31.700 -0.007 0.000 1.934 647 G N 5.104 113.141 108.800 -1.271 0.000 2.272 647 G HA2 0.075 4.035 3.960 0.000 0.000 0.274 647 G HA3 0.075 4.035 3.960 0.000 0.000 0.274 647 G C 0.530 174.968 174.900 -0.770 0.000 1.136 647 G CA -0.217 43.900 45.100 -1.638 0.000 1.098 647 G HN 0.586 nan 8.290 nan 0.000 0.425 648 K N 0.000 120.031 120.400 -0.615 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