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 3l4p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIQKVITVNG IEQNLFVDAE ALLSDVLRQQ LGLTGVKVGC EQGQCGACSV DATA SEQUENCE ILDGKVVRAC VTKMKRVADG AQITTIEGVG QPENLHPLQK AWVLHGGAQC DATA SEQUENCE GFCSPGFIVS AKGLLDTNAD PSREDVRDWF QKHRNACRCT GYKPLVDAVM DATA SEQUENCE DAAAVINGKK PETDLEFKMP ADGRIWGSKY PRPTAVAKVT GTLDYGADLG DATA SEQUENCE LKMPAGTLHL AMVQAKVSHA NIKGIDTSEA LTMPGVHSVI THKDVKGKNR DATA SEQUENCE ITGLITFPTN KGDGWDRPIL CDEKVFQYGD CIALVCADSE ANARAAAEKV DATA SEQUENCE KVDLEELPAY MSGPAAAAED AIEIHPGTPN VYFEQPIVKG EDTGPIFASA DATA SEQUENCE DVTVEGDFYV GRQPHMPIEP DVAFAYMGDD GKCYIHSKSI GVHLHLYMIA DATA SEQUENCE PGVGLEPDQL VLVANPMGGT FGYKFSPTSE ALVAVAAMAT GRPVHLRYNY DATA SEQUENCE QQQQQYTGKR SPWEMNVKFA AKKDGTLLAM ESDWLVDHGP YSEFGDLLTL DATA SEQUENCE RGAQFIGAGY NIPNIRGLGR TVATNHVWGS AFRGYGAPQS MFASECLMDM DATA SEQUENCE LAEKLGMDPL ELRYKNAYRP GDTNPTGQEP EVFSLPDMID QLRPKYQAAL DATA SEQUENCE EKAQKESTAT HKKGVGISIG VYGSGLDGPD ASEAWAELNA DGTITVHTAW DATA SEQUENCE EDHGQGADIG CVGTAHEALR PMGVAPEKIK FTWPNTATTP NSGPSGGSRQ DATA SEQUENCE QVMTGNAIRV ACENLLKACE KPGGGYYTYD ELKAADKPTK ITGNWTASGA DATA SEQUENCE THCDAVTGLG KPFVVYMYGV FMAEVTVDVA TGQTTVDGMT LMADLGSLCN DATA SEQUENCE QLATDGQIYG GLAQGIGLAL SEDFEDIKKH ATLVGAGFPF IKQIPDKLDI DATA SEQUENCE VYVNHPRPDG PFGASGVGEL PLTSPHAAII NAIKSATGVR IYRLPAYPEK DATA SEQUENCE VLEALKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.338 176.300 0.064 0.000 1.140 1 M CA 0.000 55.336 55.300 0.060 0.000 0.988 1 M CB 0.000 32.651 32.600 0.084 0.000 1.302 2 I N 0.293 120.897 120.570 0.058 0.000 2.686 2 I HA 0.517 4.685 4.170 -0.003 0.000 0.295 2 I C -1.326 174.768 176.117 -0.037 0.000 1.114 2 I CA -0.739 60.575 61.300 0.023 0.000 1.038 2 I CB 2.168 40.163 38.000 -0.009 0.000 1.238 2 I HN 0.892 nan 8.210 nan 0.000 0.420 3 Q N 4.806 124.546 119.800 -0.101 0.000 2.267 3 Q HA 0.424 4.762 4.340 -0.003 0.000 0.255 3 Q C -1.353 174.472 176.000 -0.293 0.000 0.923 3 Q CA -0.441 55.116 55.803 -0.411 0.000 0.925 3 Q CB 1.278 29.816 28.738 -0.334 0.000 1.195 3 Q HN 0.668 nan 8.270 nan 0.000 0.417 4 K N 3.122 123.312 120.400 -0.349 0.000 2.507 4 K HA 0.382 4.700 4.320 -0.003 0.000 0.252 4 K C -1.497 174.977 176.600 -0.209 0.000 0.943 4 K CA -0.686 55.477 56.287 -0.207 0.000 0.808 4 K CB 2.262 34.676 32.500 -0.143 0.000 1.142 4 K HN 0.385 nan 8.250 nan 0.000 0.426 5 V N 5.918 125.744 119.914 -0.146 0.000 2.333 5 V HA 0.420 4.538 4.120 -0.003 0.000 0.274 5 V C 0.131 176.182 176.094 -0.073 0.000 1.028 5 V CA -0.493 61.741 62.300 -0.110 0.000 0.851 5 V CB 0.129 31.903 31.823 -0.083 0.000 1.000 5 V HN 0.667 nan 8.190 nan 0.000 0.456 6 I N 1.699 122.231 120.570 -0.064 0.000 3.343 6 I HA 0.786 4.954 4.170 -0.003 0.000 0.315 6 I C -0.434 175.663 176.117 -0.033 0.000 1.153 6 I CA -0.696 60.578 61.300 -0.045 0.000 0.952 6 I CB 2.730 40.703 38.000 -0.045 0.000 1.287 6 I HN 0.307 nan 8.210 nan 0.000 0.472 7 T N 2.147 116.687 114.554 -0.024 0.000 2.786 7 T HA 0.598 4.946 4.350 -0.003 0.000 0.283 7 T C -0.624 174.066 174.700 -0.016 0.000 0.992 7 T CA -0.409 61.681 62.100 -0.018 0.000 0.954 7 T CB 1.516 70.376 68.868 -0.013 0.000 0.934 7 T HN 0.405 nan 8.240 nan 0.000 0.440 8 V N 4.781 124.686 119.914 -0.015 0.000 2.378 8 V HA 0.364 4.481 4.120 -0.003 0.000 0.288 8 V C 0.160 176.247 176.094 -0.012 0.000 1.016 8 V CA -1.101 61.190 62.300 -0.014 0.000 0.840 8 V CB 1.120 32.934 31.823 -0.015 0.000 0.994 8 V HN 0.983 nan 8.190 nan 0.000 0.431 9 N N 4.076 122.769 118.700 -0.013 0.000 2.727 9 N HA -0.221 4.517 4.740 -0.003 0.000 0.249 9 N C 1.200 176.706 175.510 -0.006 0.000 1.048 9 N CA 1.522 54.566 53.050 -0.011 0.000 0.714 9 N CB -1.110 37.370 38.487 -0.012 0.000 0.959 9 N HN 1.551 nan 8.380 nan 0.000 0.544 10 G N -1.459 107.338 108.800 -0.005 0.000 2.179 10 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.260 10 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.260 10 G C 0.060 174.958 174.900 -0.003 0.000 0.977 10 G CA 0.481 45.579 45.100 -0.002 0.000 0.641 10 G HN 0.518 nan 8.290 nan 0.000 0.533 11 I N 0.978 121.545 120.570 -0.004 0.000 2.378 11 I HA 0.350 4.518 4.170 -0.003 0.000 0.291 11 I C 0.525 176.638 176.117 -0.006 0.000 0.992 11 I CA -0.879 60.419 61.300 -0.003 0.000 1.154 11 I CB 1.817 39.816 38.000 -0.002 0.000 1.315 11 I HN 0.206 nan 8.210 nan 0.000 0.448 12 E N 5.429 125.625 120.200 -0.006 0.000 2.480 12 E HA -0.031 4.317 4.350 -0.003 0.000 0.258 12 E C -0.726 175.869 176.600 -0.009 0.000 0.984 12 E CA -0.033 56.362 56.400 -0.009 0.000 0.930 12 E CB 0.739 30.435 29.700 -0.007 0.000 0.936 12 E HN 0.433 nan 8.360 nan 0.000 0.466 13 Q N 3.594 123.382 119.800 -0.018 0.000 2.330 13 Q HA 0.245 4.583 4.340 -0.003 0.000 0.269 13 Q C -1.353 174.622 176.000 -0.043 0.000 1.022 13 Q CA -0.771 55.021 55.803 -0.019 0.000 0.796 13 Q CB 1.268 29.993 28.738 -0.021 0.000 1.271 13 Q HN 0.456 nan 8.270 nan 0.000 0.450 14 N N 4.551 123.236 118.700 -0.025 0.000 2.602 14 N HA 0.250 4.988 4.740 -0.003 0.000 0.238 14 N C -1.435 173.986 175.510 -0.148 0.000 1.084 14 N CA 0.005 53.011 53.050 -0.075 0.000 0.952 14 N CB 0.112 38.632 38.487 0.056 0.000 1.244 14 N HN 0.652 nan 8.380 nan 0.000 0.512 15 L N 2.872 123.916 121.223 -0.298 0.000 2.312 15 L HA 0.457 4.795 4.340 -0.003 0.000 0.281 15 L C -0.554 175.966 176.870 -0.585 0.000 1.070 15 L CA -0.666 54.023 54.840 -0.253 0.000 0.805 15 L CB 0.675 42.645 42.059 -0.148 0.000 1.174 15 L HN 0.343 nan 8.230 nan 0.000 0.434 16 F N 3.231 123.177 119.950 -0.006 0.000 2.445 16 F HA 0.530 5.055 4.527 -0.003 0.000 0.348 16 F C 0.023 175.819 175.800 -0.006 0.000 1.125 16 F CA -0.757 57.239 58.000 -0.006 0.000 0.983 16 F CB 1.735 40.732 39.000 -0.006 0.000 1.198 16 F HN 0.108 nan 8.300 nan 0.000 0.436 17 V N -1.310 118.653 119.914 0.082 0.000 3.159 17 V HA 0.627 4.745 4.120 -0.003 0.000 0.308 17 V C -0.984 175.135 176.094 0.042 0.000 1.190 17 V CA -1.060 61.269 62.300 0.049 0.000 1.037 17 V CB 2.159 33.986 31.823 0.006 0.000 1.060 17 V HN 0.362 nan 8.190 nan 0.000 0.437 18 D N 1.645 122.063 120.400 0.031 0.000 2.312 18 D HA 0.540 5.178 4.640 -0.003 0.000 0.252 18 D C 1.116 177.423 176.300 0.011 0.000 1.150 18 D CA 0.582 54.595 54.000 0.022 0.000 0.870 18 D CB 1.949 42.760 40.800 0.019 0.000 1.153 18 D HN 0.929 nan 8.370 nan 0.000 0.457 19 A N 3.296 126.120 122.820 0.008 0.000 2.024 19 A HA -0.178 4.140 4.320 -0.003 0.000 0.220 19 A C 1.660 179.244 177.584 0.001 0.000 1.164 19 A CA 1.195 53.233 52.037 0.000 0.000 0.643 19 A CB -0.065 18.935 19.000 -0.000 0.000 0.806 19 A HN 0.417 nan 8.150 nan 0.000 0.451 20 E N -0.126 120.077 120.200 0.004 0.000 2.442 20 E HA 0.220 4.568 4.350 -0.003 0.000 0.195 20 E C 0.930 177.534 176.600 0.005 0.000 1.030 20 E CA 0.560 56.963 56.400 0.005 0.000 0.869 20 E CB -0.349 29.355 29.700 0.007 0.000 0.857 20 E HN 0.571 nan 8.360 nan 0.000 0.505 21 A N 1.215 124.039 122.820 0.006 0.000 2.483 21 A HA 0.211 4.529 4.320 -0.003 0.000 0.238 21 A C 0.305 177.892 177.584 0.004 0.000 1.070 21 A CA -0.148 51.893 52.037 0.006 0.000 0.770 21 A CB 0.110 19.115 19.000 0.008 0.000 1.008 21 A HN 0.163 nan 8.150 nan 0.000 0.497 22 L N 2.306 123.533 121.223 0.006 0.000 2.380 22 L HA 0.095 4.433 4.340 -0.003 0.000 0.273 22 L C 1.509 178.380 176.870 0.001 0.000 1.138 22 L CA -0.606 54.236 54.840 0.004 0.000 0.832 22 L CB 0.618 42.683 42.059 0.009 0.000 1.124 22 L HN 0.862 nan 8.230 nan 0.000 0.454 23 L N 2.661 123.882 121.223 -0.002 0.000 2.079 23 L HA -0.206 4.132 4.340 -0.003 0.000 0.210 23 L C 2.578 179.445 176.870 -0.005 0.000 1.081 23 L CA 2.177 57.013 54.840 -0.006 0.000 0.752 23 L CB -0.474 41.580 42.059 -0.009 0.000 0.896 23 L HN 0.897 nan 8.230 nan 0.000 0.433 24 S N -1.505 114.194 115.700 -0.002 0.000 2.370 24 S HA -0.210 4.258 4.470 -0.003 0.000 0.226 24 S C 1.753 176.355 174.600 0.004 0.000 1.033 24 S CA 1.306 59.506 58.200 0.000 0.000 1.011 24 S CB -0.820 62.385 63.200 0.008 0.000 0.852 24 S HN 0.517 nan 8.310 nan 0.000 0.457 25 D N 1.403 121.807 120.400 0.006 0.000 2.117 25 D HA -0.001 4.637 4.640 -0.003 0.000 0.198 25 D C 2.218 178.518 176.300 0.001 0.000 0.982 25 D CA 1.018 55.021 54.000 0.005 0.000 0.828 25 D CB -0.509 40.294 40.800 0.005 0.000 0.967 25 D HN 0.336 nan 8.370 nan 0.000 0.464 26 V N 1.380 121.295 119.914 0.001 0.000 2.295 26 V HA -0.226 3.892 4.120 -0.003 0.000 0.246 26 V C 2.696 178.789 176.094 -0.002 0.000 1.049 26 V CA 1.229 63.530 62.300 0.001 0.000 1.024 26 V CB -0.515 31.307 31.823 -0.001 0.000 0.648 26 V HN 0.181 nan 8.190 nan 0.000 0.447 27 L N -0.737 120.483 121.223 -0.005 0.000 2.017 27 L HA -0.166 4.172 4.340 -0.003 0.000 0.208 27 L C 2.803 179.669 176.870 -0.007 0.000 1.073 27 L CA 1.746 56.581 54.840 -0.008 0.000 0.745 27 L CB -0.590 41.462 42.059 -0.013 0.000 0.894 27 L HN 0.230 nan 8.230 nan 0.000 0.432 28 R N -0.499 119.997 120.500 -0.005 0.000 2.057 28 R HA -0.118 4.220 4.340 -0.003 0.000 0.229 28 R C 2.330 178.626 176.300 -0.008 0.000 1.136 28 R CA 1.348 57.446 56.100 -0.003 0.000 0.952 28 R CB -0.191 30.112 30.300 0.005 0.000 0.848 28 R HN 0.466 nan 8.270 nan 0.000 0.430 29 Q N -0.059 119.735 119.800 -0.009 0.000 2.134 29 Q HA -0.046 4.292 4.340 -0.003 0.000 0.195 29 Q C 2.108 178.101 176.000 -0.011 0.000 0.958 29 Q CA 0.840 56.633 55.803 -0.016 0.000 0.840 29 Q CB 0.237 28.962 28.738 -0.021 0.000 0.918 29 Q HN 0.375 nan 8.270 nan 0.000 0.467 30 Q N 0.183 119.982 119.800 -0.002 0.000 2.137 30 Q HA 0.034 4.372 4.340 -0.003 0.000 0.198 30 Q C 1.714 177.718 176.000 0.007 0.000 0.960 30 Q CA 0.791 56.598 55.803 0.007 0.000 0.847 30 Q CB 0.375 29.125 28.738 0.020 0.000 0.915 30 Q HN 0.307 nan 8.270 nan 0.000 0.448 31 L N -1.336 119.888 121.223 0.002 0.000 2.664 31 L HA 0.297 4.635 4.340 -0.003 0.000 0.233 31 L C 0.962 177.828 176.870 -0.005 0.000 1.113 31 L CA 0.285 55.126 54.840 0.001 0.000 0.896 31 L CB 0.384 42.442 42.059 -0.001 0.000 1.163 31 L HN 0.357 nan 8.230 nan 0.000 0.497 32 G N 1.334 110.129 108.800 -0.009 0.000 2.153 32 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.252 32 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.252 32 G C 0.291 175.184 174.900 -0.011 0.000 0.994 32 G CA -0.056 45.036 45.100 -0.012 0.000 0.698 32 G HN 0.288 nan 8.290 nan 0.000 0.521 33 L N 2.065 123.282 121.223 -0.010 0.000 2.423 33 L HA 0.251 4.589 4.340 -0.003 0.000 0.249 33 L C 2.074 178.937 176.870 -0.011 0.000 1.276 33 L CA 0.341 55.173 54.840 -0.012 0.000 1.199 33 L CB -0.023 42.027 42.059 -0.015 0.000 1.407 33 L HN 0.375 nan 8.230 nan 0.000 0.410 34 T N -4.104 110.448 114.554 -0.004 0.000 3.163 34 T HA -0.060 4.288 4.350 -0.003 0.000 0.260 34 T C 1.837 176.540 174.700 0.005 0.000 1.156 34 T CA 0.588 62.694 62.100 0.009 0.000 1.072 34 T CB 0.061 68.944 68.868 0.025 0.000 0.937 34 T HN 0.552 nan 8.240 nan 0.000 0.528 35 G N 1.237 110.031 108.800 -0.011 0.000 2.509 35 G HA2 0.069 4.027 3.960 -0.003 0.000 0.218 35 G HA3 0.069 4.027 3.960 -0.003 0.000 0.218 35 G C 0.521 175.381 174.900 -0.067 0.000 1.124 35 G CA -0.018 45.065 45.100 -0.029 0.000 0.776 35 G HN 0.542 nan 8.290 nan 0.000 0.547 36 V N 2.716 122.595 119.914 -0.059 0.000 2.370 36 V HA 0.170 4.288 4.120 -0.003 0.000 0.257 36 V C -0.137 175.896 176.094 -0.101 0.000 1.064 36 V CA -0.536 61.719 62.300 -0.075 0.000 0.975 36 V CB 0.544 32.339 31.823 -0.046 0.000 1.067 36 V HN 0.093 nan 8.190 nan 0.000 0.485 37 K N 3.815 124.095 120.400 -0.200 0.000 2.174 37 K HA 0.539 4.857 4.320 -0.003 0.000 0.275 37 K C -0.495 176.011 176.600 -0.157 0.000 1.015 37 K CA -0.435 55.654 56.287 -0.331 0.000 0.933 37 K CB 2.031 33.987 32.500 -0.907 0.000 1.025 37 K HN 0.351 nan 8.250 nan 0.000 0.463 38 V N 2.148 122.074 119.914 0.020 0.000 2.444 38 V HA 0.399 4.517 4.120 -0.003 0.000 0.294 38 V C 0.834 177.121 176.094 0.320 0.000 1.022 38 V CA -0.370 62.009 62.300 0.131 0.000 0.850 38 V CB 1.494 33.385 31.823 0.114 0.000 0.992 38 V HN 1.000 nan 8.190 nan 0.000 0.426 39 G N 2.141 111.113 108.800 0.287 0.000 2.534 39 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.220 39 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.220 39 G C 1.601 176.624 174.900 0.205 0.000 1.699 39 G CA 0.946 46.230 45.100 0.307 0.000 0.769 39 G HN 0.839 nan 8.290 nan 0.000 0.632 40 C N 0.068 119.379 119.300 0.018 0.000 2.446 40 C HA 0.265 4.723 4.460 -0.003 0.000 0.279 40 C C 1.567 176.595 174.990 0.063 0.000 1.366 40 C CA 1.057 60.027 59.018 -0.080 0.000 1.763 40 C CB -0.952 26.594 27.740 -0.322 0.000 1.929 40 C HN 0.683 nan 8.230 nan 0.000 0.509 41 E N -0.235 120.003 120.200 0.063 0.000 3.065 41 E HA -0.304 4.044 4.350 -0.003 0.000 0.277 41 E C 0.400 177.025 176.600 0.043 0.000 1.008 41 E CA 1.179 57.618 56.400 0.065 0.000 0.864 41 E CB -1.520 28.239 29.700 0.098 0.000 1.439 41 E HN 0.888 nan 8.360 nan 0.000 0.445 42 Q N -1.215 118.595 119.800 0.017 0.000 2.086 42 Q HA 0.282 4.620 4.340 -0.003 0.000 0.220 42 Q C 0.902 176.895 176.000 -0.012 0.000 0.792 42 Q CA 0.238 56.047 55.803 0.011 0.000 1.062 42 Q CB 1.578 30.330 28.738 0.023 0.000 1.198 42 Q HN 0.342 nan 8.270 nan 0.000 0.466 43 G N 1.384 110.172 108.800 -0.020 0.000 2.153 43 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.252 43 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.252 43 G C 0.573 175.445 174.900 -0.047 0.000 0.994 43 G CA 0.597 45.677 45.100 -0.034 0.000 0.698 43 G HN 0.419 nan 8.290 nan 0.000 0.521 44 Q N -1.368 118.407 119.800 -0.041 0.000 2.317 44 Q HA 0.234 4.572 4.340 -0.003 0.000 0.220 44 Q C 2.436 178.478 176.000 0.070 0.000 0.873 44 Q CA 0.915 56.710 55.803 -0.013 0.000 0.936 44 Q CB 0.463 29.203 28.738 0.002 0.000 1.105 44 Q HN 1.067 nan 8.270 nan 0.000 0.520 45 C N -3.533 115.760 119.300 -0.012 0.000 3.545 45 C HA 0.601 5.059 4.460 -0.003 0.000 0.368 45 C C 1.623 176.599 174.990 -0.022 0.000 1.400 45 C CA 0.335 59.331 59.018 -0.036 0.000 1.848 45 C CB 0.126 27.770 27.740 -0.159 0.000 2.576 45 C HN 0.540 nan 8.230 nan 0.000 0.683 46 G N 1.193 109.972 108.800 -0.036 0.000 2.189 46 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.267 46 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.267 46 G C 1.309 176.147 174.900 -0.103 0.000 0.975 46 G CA 0.944 45.998 45.100 -0.076 0.000 0.644 46 G HN 1.534 nan 8.290 nan 0.000 0.537 47 A N -0.123 122.654 122.820 -0.071 0.000 2.019 47 A HA 0.072 4.390 4.320 -0.003 0.000 0.219 47 A C 2.472 179.983 177.584 -0.121 0.000 1.164 47 A CA 2.409 54.389 52.037 -0.095 0.000 0.644 47 A CB -0.873 18.094 19.000 -0.054 0.000 0.805 47 A HN 1.820 nan 8.150 nan 0.000 0.449 48 C N -1.112 118.141 119.300 -0.077 0.000 2.614 48 C HA 0.509 4.967 4.460 -0.003 0.000 0.299 48 C C 0.783 175.740 174.990 -0.055 0.000 1.293 48 C CA -0.944 58.036 59.018 -0.064 0.000 1.713 48 C CB -2.121 25.599 27.740 -0.033 0.000 1.890 48 C HN 0.287 nan 8.230 nan 0.000 0.602 49 S N 1.716 117.378 115.700 -0.063 0.000 2.546 49 S HA 0.399 4.867 4.470 -0.003 0.000 0.290 49 S C 0.285 174.860 174.600 -0.041 0.000 1.290 49 S CA 0.424 58.598 58.200 -0.044 0.000 1.069 49 S CB 0.456 63.627 63.200 -0.049 0.000 0.846 49 S HN 1.093 nan 8.310 nan 0.000 0.495 50 V N 1.505 121.404 119.914 -0.024 0.000 3.130 50 V HA 0.667 4.785 4.120 -0.003 0.000 0.310 50 V C -0.693 175.396 176.094 -0.008 0.000 1.158 50 V CA -1.212 61.074 62.300 -0.023 0.000 1.029 50 V CB 1.649 33.458 31.823 -0.024 0.000 1.057 50 V HN 0.705 nan 8.190 nan 0.000 0.436 51 I N 2.896 123.461 120.570 -0.009 0.000 2.315 51 I HA 0.477 4.645 4.170 -0.003 0.000 0.291 51 I C -0.808 175.311 176.117 0.003 0.000 1.006 51 I CA -0.402 60.901 61.300 0.005 0.000 1.265 51 I CB 1.520 39.521 38.000 0.002 0.000 1.387 51 I HN 0.534 nan 8.210 nan 0.000 0.475 52 L N 7.016 128.246 121.223 0.011 0.000 2.342 52 L HA 0.449 4.787 4.340 -0.003 0.000 0.276 52 L C -0.428 176.449 176.870 0.012 0.000 0.997 52 L CA -0.074 54.769 54.840 0.006 0.000 0.838 52 L CB 0.599 42.660 42.059 0.003 0.000 1.224 52 L HN 0.517 nan 8.230 nan 0.000 0.416 53 D N 4.667 125.072 120.400 0.008 0.000 2.689 53 D HA -0.198 4.440 4.640 -0.003 0.000 0.237 53 D C 1.142 177.455 176.300 0.022 0.000 1.148 53 D CA 1.530 55.536 54.000 0.011 0.000 0.656 53 D CB -1.056 39.748 40.800 0.007 0.000 1.050 53 D HN 1.244 nan 8.370 nan 0.000 0.426 54 G N -0.818 107.998 108.800 0.027 0.000 2.205 54 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.261 54 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.261 54 G C 0.297 175.241 174.900 0.073 0.000 0.980 54 G CA 0.747 45.872 45.100 0.042 0.000 0.632 54 G HN 0.497 nan 8.290 nan 0.000 0.533 55 K N 0.198 120.638 120.400 0.067 0.000 2.207 55 K HA 0.610 4.928 4.320 -0.003 0.000 0.255 55 K C -0.129 176.519 176.600 0.080 0.000 0.941 55 K CA -0.870 55.473 56.287 0.093 0.000 0.825 55 K CB 2.851 35.392 32.500 0.067 0.000 1.119 55 K HN 0.003 nan 8.250 nan 0.000 0.430 56 V N 3.867 123.840 119.914 0.099 0.000 2.408 56 V HA 0.133 4.251 4.120 -0.003 0.000 0.267 56 V C 0.075 176.215 176.094 0.077 0.000 1.047 56 V CA -0.524 61.807 62.300 0.051 0.000 0.937 56 V CB 0.665 32.446 31.823 -0.070 0.000 0.999 56 V HN 0.558 nan 8.190 nan 0.000 0.472 57 V N 3.217 123.154 119.914 0.039 0.000 2.864 57 V HA 0.668 4.786 4.120 -0.003 0.000 0.314 57 V C -0.198 175.899 176.094 0.005 0.000 1.073 57 V CA -1.375 60.938 62.300 0.022 0.000 0.956 57 V CB 1.995 33.822 31.823 0.008 0.000 1.023 57 V HN 0.747 nan 8.190 nan 0.000 0.435 58 R N 2.511 123.007 120.500 -0.006 0.000 2.242 58 R HA 0.559 4.897 4.340 -0.003 0.000 0.334 58 R C 1.265 177.557 176.300 -0.014 0.000 1.071 58 R CA 0.279 56.369 56.100 -0.016 0.000 0.922 58 R CB 1.377 31.662 30.300 -0.024 0.000 1.023 58 R HN 1.008 nan 8.270 nan 0.000 0.458 59 A N 2.676 125.487 122.820 -0.015 0.000 2.019 59 A HA -0.178 4.140 4.320 -0.003 0.000 0.219 59 A C 2.053 179.633 177.584 -0.006 0.000 1.164 59 A CA 1.455 53.485 52.037 -0.011 0.000 0.644 59 A CB -0.571 18.420 19.000 -0.015 0.000 0.805 59 A HN 0.991 nan 8.150 nan 0.000 0.449 60 C N -1.397 117.901 119.300 -0.003 0.000 2.472 60 C HA 0.241 4.699 4.460 -0.003 0.000 0.278 60 C C 1.519 176.512 174.990 0.005 0.000 1.447 60 C CA 0.719 59.741 59.018 0.007 0.000 1.773 60 C CB -1.590 26.159 27.740 0.015 0.000 1.793 60 C HN 0.788 nan 8.230 nan 0.000 0.544 61 V N -2.273 117.638 119.914 -0.004 0.000 2.991 61 V HA 0.371 4.489 4.120 -0.003 0.000 0.355 61 V C -0.058 176.030 176.094 -0.009 0.000 1.384 61 V CA 0.151 62.447 62.300 -0.006 0.000 1.171 61 V CB -0.856 30.959 31.823 -0.013 0.000 1.190 61 V HN 0.391 nan 8.190 nan 0.000 0.540 62 T N 1.996 116.546 114.554 -0.007 0.000 2.809 62 T HA 0.444 4.791 4.350 -0.003 0.000 0.296 62 T C -0.184 174.512 174.700 -0.006 0.000 1.015 62 T CA -0.327 61.768 62.100 -0.009 0.000 0.954 62 T CB 1.422 70.284 68.868 -0.009 0.000 0.950 62 T HN 0.423 nan 8.240 nan 0.000 0.450 63 K N 2.700 123.096 120.400 -0.006 0.000 2.154 63 K HA 0.319 4.637 4.320 -0.003 0.000 0.264 63 K C 1.237 177.832 176.600 -0.008 0.000 1.008 63 K CA -0.870 55.414 56.287 -0.005 0.000 0.937 63 K CB 0.581 33.079 32.500 -0.003 0.000 1.002 63 K HN 0.354 nan 8.250 nan 0.000 0.469 64 M N 1.867 121.462 119.600 -0.008 0.000 2.358 64 M HA -0.155 4.323 4.480 -0.003 0.000 0.264 64 M C 1.701 177.992 176.300 -0.016 0.000 1.064 64 M CA 1.660 56.952 55.300 -0.013 0.000 1.093 64 M CB -0.928 31.664 32.600 -0.014 0.000 1.401 64 M HN 0.572 nan 8.290 nan 0.000 0.440 65 K N -0.492 119.901 120.400 -0.012 0.000 2.360 65 K HA -0.124 4.194 4.320 -0.003 0.000 0.201 65 K C 1.411 178.003 176.600 -0.013 0.000 1.046 65 K CA 0.943 57.223 56.287 -0.012 0.000 0.945 65 K CB -0.177 32.318 32.500 -0.008 0.000 0.750 65 K HN 0.172 nan 8.250 nan 0.000 0.464 66 R N 1.087 121.580 120.500 -0.013 0.000 2.310 66 R HA 0.150 4.488 4.340 -0.003 0.000 0.202 66 R C -0.132 176.160 176.300 -0.014 0.000 0.933 66 R CA 0.129 56.222 56.100 -0.012 0.000 1.054 66 R CB 0.338 30.631 30.300 -0.011 0.000 0.985 66 R HN 0.035 nan 8.270 nan 0.000 0.489 67 V N 1.800 121.704 119.914 -0.017 0.000 2.328 67 V HA 0.412 4.530 4.120 -0.003 0.000 0.278 67 V C 0.425 176.503 176.094 -0.026 0.000 1.021 67 V CA -1.054 61.233 62.300 -0.021 0.000 0.838 67 V CB 1.140 32.948 31.823 -0.024 0.000 0.999 67 V HN 0.129 nan 8.190 nan 0.000 0.447 68 A N 3.757 126.563 122.820 -0.023 0.000 2.304 68 A HA 0.426 4.744 4.320 -0.003 0.000 0.271 68 A C 0.223 177.787 177.584 -0.032 0.000 1.091 68 A CA -0.552 51.470 52.037 -0.025 0.000 0.812 68 A CB 0.189 19.178 19.000 -0.019 0.000 1.056 68 A HN 0.767 nan 8.150 nan 0.000 0.489 69 D N 0.206 120.585 120.400 -0.037 0.000 2.571 69 D HA 0.290 4.928 4.640 -0.003 0.000 0.231 69 D C 1.366 177.647 176.300 -0.032 0.000 1.133 69 D CA 2.325 56.300 54.000 -0.042 0.000 0.862 69 D CB 0.600 41.376 40.800 -0.040 0.000 1.179 69 D HN 1.135 nan 8.370 nan 0.000 0.474 70 G N 1.429 110.210 108.800 -0.033 0.000 2.176 70 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.253 70 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.253 70 G C 0.543 175.431 174.900 -0.020 0.000 0.979 70 G CA 0.377 45.463 45.100 -0.024 0.000 0.641 70 G HN 0.865 nan 8.290 nan 0.000 0.530 71 A N -0.102 122.704 122.820 -0.023 0.000 2.466 71 A HA 0.555 4.873 4.320 -0.003 0.000 0.238 71 A C 0.542 178.116 177.584 -0.016 0.000 1.074 71 A CA 0.558 52.584 52.037 -0.018 0.000 0.774 71 A CB 0.290 19.278 19.000 -0.020 0.000 1.015 71 A HN 0.393 nan 8.150 nan 0.000 0.498 72 Q N 0.693 120.486 119.800 -0.011 0.000 2.322 72 Q HA 0.560 4.898 4.340 -0.003 0.000 0.265 72 Q C -1.067 174.928 176.000 -0.010 0.000 0.985 72 Q CA 0.021 55.818 55.803 -0.010 0.000 0.849 72 Q CB 1.842 30.576 28.738 -0.006 0.000 1.274 72 Q HN 0.656 nan 8.270 nan 0.000 0.449 73 I N 1.428 121.991 120.570 -0.013 0.000 2.509 73 I HA 0.394 4.562 4.170 -0.003 0.000 0.293 73 I C -0.322 175.785 176.117 -0.016 0.000 1.020 73 I CA -0.577 60.715 61.300 -0.014 0.000 1.088 73 I CB 2.350 40.340 38.000 -0.017 0.000 1.267 73 I HN 0.335 nan 8.210 nan 0.000 0.430 74 T N 3.230 117.773 114.554 -0.019 0.000 2.812 74 T HA 0.475 4.823 4.350 -0.003 0.000 0.282 74 T C 0.008 174.687 174.700 -0.035 0.000 0.990 74 T CA -0.656 61.427 62.100 -0.027 0.000 0.960 74 T CB 1.624 70.473 68.868 -0.032 0.000 0.948 74 T HN 0.756 nan 8.240 nan 0.000 0.438 75 T N -0.088 114.443 114.554 -0.039 0.000 2.870 75 T HA 0.537 4.884 4.350 -0.003 0.000 0.277 75 T C 1.379 176.043 174.700 -0.059 0.000 1.000 75 T CA -0.821 61.251 62.100 -0.047 0.000 0.982 75 T CB 0.750 69.595 68.868 -0.039 0.000 1.249 75 T HN 0.210 nan 8.240 nan 0.000 0.589 76 I N 0.985 121.514 120.570 -0.068 0.000 2.264 76 I HA -0.074 4.094 4.170 -0.003 0.000 0.248 76 I C 2.184 178.268 176.117 -0.055 0.000 1.111 76 I CA 1.646 62.899 61.300 -0.079 0.000 1.382 76 I CB -0.745 37.203 38.000 -0.087 0.000 1.060 76 I HN 0.790 nan 8.210 nan 0.000 0.418 77 E N 0.085 120.262 120.200 -0.039 0.000 2.209 77 E HA -0.123 4.225 4.350 -0.003 0.000 0.196 77 E C 2.172 178.761 176.600 -0.019 0.000 0.993 77 E CA 1.196 57.582 56.400 -0.023 0.000 0.819 77 E CB -0.611 29.078 29.700 -0.018 0.000 0.745 77 E HN 0.613 nan 8.360 nan 0.000 0.477 78 G N -0.376 108.408 108.800 -0.027 0.000 2.683 78 G HA2 -0.074 3.884 3.960 -0.003 0.000 0.213 78 G HA3 -0.074 3.884 3.960 -0.003 0.000 0.213 78 G C 1.549 176.434 174.900 -0.024 0.000 1.142 78 G CA 0.099 45.186 45.100 -0.021 0.000 0.793 78 G HN 0.136 nan 8.290 nan 0.000 0.534 79 V N 0.358 120.240 119.914 -0.052 0.000 2.379 79 V HA 0.352 4.470 4.120 -0.003 0.000 0.245 79 V C 1.446 177.545 176.094 0.009 0.000 1.044 79 V CA 1.642 63.890 62.300 -0.087 0.000 1.036 79 V CB -0.350 31.364 31.823 -0.181 0.000 0.664 79 V HN 0.553 nan 8.190 nan 0.000 0.453 80 G N -1.264 107.545 108.800 0.014 0.000 2.387 80 G HA2 0.575 4.533 3.960 -0.003 0.000 0.294 80 G HA3 0.575 4.533 3.960 -0.003 0.000 0.294 80 G C -2.055 172.861 174.900 0.026 0.000 1.509 80 G CA -0.654 44.475 45.100 0.050 0.000 0.806 80 G HN 0.135 nan 8.290 nan 0.000 0.546 81 Q N -0.009 119.809 119.800 0.030 0.000 2.458 81 Q HA 0.576 4.914 4.340 -0.003 0.000 0.282 81 Q C -2.101 173.915 176.000 0.027 0.000 1.106 81 Q CA -1.806 54.009 55.803 0.022 0.000 0.814 81 Q CB 2.316 31.063 28.738 0.016 0.000 1.425 81 Q HN 0.220 nan 8.270 nan 0.000 0.437 82 P HA -0.222 nan 4.420 nan 0.000 0.217 82 P C 0.243 177.560 177.300 0.027 0.000 1.148 82 P CA 1.338 64.455 63.100 0.028 0.000 0.828 82 P CB 0.397 32.113 31.700 0.026 0.000 0.783 83 E N -1.665 118.549 120.200 0.023 0.000 2.465 83 E HA 0.004 4.352 4.350 -0.003 0.000 0.191 83 E C 0.046 176.660 176.600 0.023 0.000 1.053 83 E CA -0.023 56.390 56.400 0.021 0.000 0.869 83 E CB -0.178 29.532 29.700 0.017 0.000 0.977 83 E HN -0.001 nan 8.360 nan 0.000 0.483 84 N N 0.363 119.080 118.700 0.028 0.000 2.785 84 N HA 0.114 4.852 4.740 -0.003 0.000 0.224 84 N C -1.612 173.925 175.510 0.045 0.000 1.448 84 N CA -0.187 52.882 53.050 0.031 0.000 0.748 84 N CB 0.136 38.639 38.487 0.027 0.000 1.385 84 N HN -0.045 nan 8.380 nan 0.000 0.538 85 L N 1.680 122.932 121.223 0.049 0.000 2.380 85 L HA 0.275 4.613 4.340 -0.003 0.000 0.273 85 L C 1.146 178.071 176.870 0.091 0.000 1.138 85 L CA -0.592 54.293 54.840 0.074 0.000 0.832 85 L CB 0.524 42.625 42.059 0.071 0.000 1.124 85 L HN 0.424 nan 8.230 nan 0.000 0.454 86 H N 4.847 123.932 119.070 0.024 0.000 2.690 86 H HA 0.074 4.628 4.556 -0.003 0.000 0.365 86 H C -1.837 173.522 175.328 0.051 0.000 1.142 86 H CA -1.368 54.696 56.048 0.028 0.000 1.417 86 H CB 1.800 31.571 29.762 0.014 0.000 1.446 86 H HN 0.348 nan 8.280 nan 0.000 0.599 87 P HA -0.158 nan 4.420 nan 0.000 0.216 87 P C 1.811 179.238 177.300 0.213 0.000 1.150 87 P CA 1.156 64.238 63.100 -0.029 0.000 0.843 87 P CB 0.182 31.796 31.700 -0.143 0.000 0.787 88 L N -1.171 120.336 121.223 0.472 0.000 2.083 88 L HA -0.225 4.113 4.340 -0.003 0.000 0.209 88 L C 2.598 179.686 176.870 0.363 0.000 1.083 88 L CA 1.627 56.715 54.840 0.415 0.000 0.752 88 L CB -0.789 41.448 42.059 0.297 0.000 0.899 88 L HN 0.027 nan 8.230 nan 0.000 0.433 89 Q N -0.316 119.639 119.800 0.257 0.000 2.079 89 Q HA -0.198 4.140 4.340 -0.003 0.000 0.200 89 Q C 2.220 178.359 176.000 0.231 0.000 0.974 89 Q CA 1.309 57.225 55.803 0.189 0.000 0.840 89 Q CB -0.007 28.798 28.738 0.112 0.000 0.898 89 Q HN 0.420 nan 8.270 nan 0.000 0.430 90 K N 0.508 121.024 120.400 0.193 0.000 2.026 90 K HA -0.130 4.188 4.320 -0.003 0.000 0.208 90 K C 2.149 178.873 176.600 0.205 0.000 1.048 90 K CA 1.219 57.600 56.287 0.157 0.000 0.929 90 K CB -0.221 32.344 32.500 0.107 0.000 0.713 90 K HN 0.141 nan 8.250 nan 0.000 0.439 91 A N 1.161 124.142 122.820 0.268 0.000 1.933 91 A HA -0.182 4.136 4.320 -0.003 0.000 0.218 91 A C 1.916 179.725 177.584 0.375 0.000 1.175 91 A CA 0.979 53.217 52.037 0.335 0.000 0.628 91 A CB -0.845 18.339 19.000 0.306 0.000 0.814 91 A HN 0.490 nan 8.150 nan 0.000 0.444 92 W N 0.321 121.706 121.300 0.142 0.000 2.335 92 W HA -0.180 4.478 4.660 -0.003 0.000 0.311 92 W C 2.144 178.713 176.519 0.083 0.000 1.213 92 W CA 1.880 59.290 57.345 0.108 0.000 1.274 92 W CB -0.214 29.293 29.460 0.078 0.000 1.148 92 W HN 0.237 nan 8.180 nan 0.000 0.498 93 V N 0.503 120.578 119.914 0.269 0.000 2.295 93 V HA -0.315 3.802 4.120 -0.003 0.000 0.246 93 V C 2.141 178.246 176.094 0.019 0.000 1.049 93 V CA 1.716 64.083 62.300 0.112 0.000 1.024 93 V CB -1.242 30.624 31.823 0.072 0.000 0.648 93 V HN 0.088 nan 8.190 nan 0.000 0.447 94 L N -0.602 120.640 121.223 0.032 0.000 2.083 94 L HA -0.141 4.197 4.340 -0.003 0.000 0.209 94 L C 2.274 179.015 176.870 -0.216 0.000 1.083 94 L CA 1.954 56.743 54.840 -0.084 0.000 0.752 94 L CB -0.645 41.357 42.059 -0.094 0.000 0.899 94 L HN 0.420 nan 8.230 nan 0.000 0.433 95 H N -0.964 118.083 119.070 -0.038 0.000 2.539 95 H HA 0.274 4.828 4.556 -0.003 0.000 0.269 95 H C 1.333 176.593 175.328 -0.113 0.000 0.980 95 H CA 0.628 56.627 56.048 -0.082 0.000 1.152 95 H CB 0.145 29.824 29.762 -0.138 0.000 1.407 95 H HN 0.439 nan 8.280 nan 0.000 0.564 96 G N 0.942 109.724 108.800 -0.031 0.000 2.176 96 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.252 96 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.252 96 G C 1.438 176.295 174.900 -0.071 0.000 1.024 96 G CA 0.427 45.497 45.100 -0.051 0.000 0.755 96 G HN 0.574 nan 8.290 nan 0.000 0.507 97 G N -0.204 108.493 108.800 -0.171 0.000 2.509 97 G HA2 0.389 4.347 3.960 -0.003 0.000 0.218 97 G HA3 0.389 4.347 3.960 -0.003 0.000 0.218 97 G C 0.948 175.869 174.900 0.035 0.000 1.124 97 G CA 1.175 46.069 45.100 -0.343 0.000 0.776 97 G HN 1.787 nan 8.290 nan 0.000 0.547 98 A N 0.162 123.101 122.820 0.198 0.000 2.391 98 A HA 0.612 4.930 4.320 -0.003 0.000 0.316 98 A C 0.843 178.498 177.584 0.119 0.000 1.381 98 A CA -0.405 51.771 52.037 0.232 0.000 0.998 98 A CB 0.546 19.702 19.000 0.261 0.000 1.147 98 A HN 0.376 nan 8.150 nan 0.000 0.545 99 Q N 1.165 121.031 119.800 0.110 0.000 1.957 99 Q HA -0.042 4.296 4.340 -0.003 0.000 0.251 99 Q C 2.277 178.349 176.000 0.121 0.000 0.973 99 Q CA 1.236 57.084 55.803 0.075 0.000 0.862 99 Q CB -0.272 28.505 28.738 0.064 0.000 0.962 99 Q HN 1.070 nan 8.270 nan 0.000 0.473 100 C N -0.402 118.994 119.300 0.159 0.000 2.432 100 C HA 0.224 4.681 4.460 -0.003 0.000 0.280 100 C C 1.777 176.984 174.990 0.361 0.000 1.353 100 C CA 0.373 59.531 59.018 0.233 0.000 1.766 100 C CB -1.296 26.567 27.740 0.206 0.000 1.924 100 C HN 0.906 nan 8.230 nan 0.000 0.509 101 G N -0.650 108.335 108.800 0.308 0.000 2.179 101 G HA2 -0.367 3.591 3.960 -0.003 0.000 0.260 101 G HA3 -0.367 3.591 3.960 -0.003 0.000 0.260 101 G C 0.428 175.515 174.900 0.311 0.000 0.977 101 G CA 0.512 45.810 45.100 0.330 0.000 0.641 101 G HN 0.611 nan 8.290 nan 0.000 0.533 102 F N 1.380 121.367 119.950 0.061 0.000 2.234 102 F HA -0.021 4.504 4.527 -0.004 0.000 0.299 102 F C 2.794 178.583 175.800 -0.019 0.000 1.087 102 F CA 2.331 60.218 58.000 -0.189 0.000 1.340 102 F CB -0.229 38.578 39.000 -0.321 0.000 1.031 102 F HN 0.603 nan 8.300 nan 0.000 0.500 103 C N -1.465 117.953 119.300 0.197 0.000 2.618 103 C HA 0.198 4.656 4.460 -0.003 0.000 0.264 103 C C 2.598 177.732 174.990 0.239 0.000 1.334 103 C CA 0.360 59.515 59.018 0.228 0.000 1.731 103 C CB -1.475 26.534 27.740 0.449 0.000 1.852 103 C HN 0.303 nan 8.230 nan 0.000 0.566 104 S N 3.045 118.827 115.700 0.136 0.000 2.355 104 S HA -0.040 4.428 4.470 -0.003 0.000 0.222 104 S C -0.435 174.059 174.600 -0.178 0.000 1.031 104 S CA 1.975 60.180 58.200 0.009 0.000 0.993 104 S CB -1.277 61.938 63.200 0.025 0.000 0.859 104 S HN 0.512 nan 8.310 nan 0.000 0.453 105 P HA -0.048 nan 4.420 nan 0.000 0.215 105 P C 1.727 178.938 177.300 -0.148 0.000 1.153 105 P CA 1.349 64.354 63.100 -0.160 0.000 0.853 105 P CB -0.458 31.164 31.700 -0.131 0.000 0.788 106 G N -1.481 107.249 108.800 -0.115 0.000 2.418 106 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.217 106 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.217 106 G C 1.305 176.134 174.900 -0.118 0.000 1.158 106 G CA 0.376 45.406 45.100 -0.118 0.000 0.771 106 G HN 0.152 nan 8.290 nan 0.000 0.545 107 F N 0.674 120.530 119.950 -0.156 0.000 2.134 107 F HA 0.070 4.595 4.527 -0.003 0.000 0.299 107 F C 2.600 178.271 175.800 -0.215 0.000 1.097 107 F CA 0.920 58.815 58.000 -0.176 0.000 1.264 107 F CB -0.119 38.806 39.000 -0.126 0.000 1.001 107 F HN 0.054 nan 8.300 nan 0.000 0.479 108 I N -1.107 119.265 120.570 -0.329 0.000 2.252 108 I HA -0.252 3.916 4.170 -0.003 0.000 0.245 108 I C 2.217 178.230 176.117 -0.173 0.000 1.102 108 I CA 0.765 61.805 61.300 -0.434 0.000 1.385 108 I CB -0.481 37.160 38.000 -0.598 0.000 1.064 108 I HN -0.113 nan 8.210 nan 0.000 0.414 109 V N -0.172 119.662 119.914 -0.133 0.000 2.295 109 V HA -0.313 3.805 4.120 -0.003 0.000 0.246 109 V C 2.594 178.691 176.094 0.004 0.000 1.049 109 V CA 2.237 64.487 62.300 -0.084 0.000 1.024 109 V CB -0.624 31.154 31.823 -0.075 0.000 0.648 109 V HN 0.458 nan 8.190 nan 0.000 0.447 110 S N -0.146 115.605 115.700 0.085 0.000 2.359 110 S HA -0.222 4.246 4.470 -0.003 0.000 0.224 110 S C 2.141 176.937 174.600 0.326 0.000 1.035 110 S CA 1.747 60.104 58.200 0.261 0.000 1.018 110 S CB -0.386 63.020 63.200 0.343 0.000 0.876 110 S HN 0.626 nan 8.310 nan 0.000 0.448 111 A N 1.196 124.211 122.820 0.325 0.000 1.933 111 A HA -0.111 4.207 4.320 -0.003 0.000 0.218 111 A C 2.118 179.661 177.584 -0.069 0.000 1.175 111 A CA 1.902 54.033 52.037 0.158 0.000 0.628 111 A CB -0.664 18.570 19.000 0.390 0.000 0.814 111 A HN 0.655 nan 8.150 nan 0.000 0.444 112 K N -0.558 119.803 120.400 -0.064 0.000 2.057 112 K HA -0.102 4.216 4.320 -0.003 0.000 0.207 112 K C 2.048 178.571 176.600 -0.129 0.000 1.049 112 K CA 1.354 57.569 56.287 -0.119 0.000 0.931 112 K CB -0.554 31.834 32.500 -0.187 0.000 0.714 112 K HN 0.374 nan 8.250 nan 0.000 0.440 113 G N 1.793 110.545 108.800 -0.081 0.000 2.442 113 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.219 113 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.219 113 G C 1.402 176.089 174.900 -0.356 0.000 1.141 113 G CA 0.979 46.056 45.100 -0.040 0.000 0.763 113 G HN 0.333 nan 8.290 nan 0.000 0.554 114 L N 0.511 121.215 121.223 -0.866 0.000 1.994 114 L HA 0.094 4.432 4.340 -0.003 0.000 0.208 114 L C 2.655 179.093 176.870 -0.719 0.000 1.071 114 L CA 1.500 55.383 54.840 -1.594 0.000 0.745 114 L CB -0.565 40.406 42.059 -1.813 0.000 0.892 114 L HN 0.204 nan 8.230 nan 0.000 0.431 115 L N -0.476 120.494 121.223 -0.423 0.000 2.201 115 L HA -0.157 4.181 4.340 -0.003 0.000 0.212 115 L C 1.841 178.616 176.870 -0.158 0.000 1.105 115 L CA 0.853 55.558 54.840 -0.225 0.000 0.775 115 L CB -0.816 41.182 42.059 -0.103 0.000 0.913 115 L HN 0.311 nan 8.230 nan 0.000 0.440 116 D N -0.713 119.594 120.400 -0.154 0.000 2.312 116 D HA -0.097 4.541 4.640 -0.003 0.000 0.211 116 D C 2.060 178.312 176.300 -0.081 0.000 0.964 116 D CA 1.583 55.532 54.000 -0.084 0.000 0.877 116 D CB 0.191 40.960 40.800 -0.052 0.000 0.924 116 D HN 0.427 nan 8.370 nan 0.000 0.515 117 T N -3.361 111.110 114.554 -0.138 0.000 2.969 117 T HA 0.061 4.409 4.350 -0.003 0.000 0.250 117 T C 0.589 175.233 174.700 -0.094 0.000 1.021 117 T CA -0.336 61.714 62.100 -0.084 0.000 1.003 117 T CB 0.456 69.305 68.868 -0.031 0.000 1.040 117 T HN -0.147 nan 8.240 nan 0.000 0.492 118 N N 0.647 119.249 118.700 -0.163 0.000 2.640 118 N HA 0.584 5.321 4.740 -0.003 0.000 0.262 118 N C 0.570 176.003 175.510 -0.130 0.000 1.174 118 N CA 0.039 53.012 53.050 -0.129 0.000 0.791 118 N CB 1.457 39.858 38.487 -0.144 0.000 1.279 118 N HN 0.190 nan 8.380 nan 0.000 0.535 119 A N 1.957 124.727 122.820 -0.083 0.000 2.015 119 A HA -0.027 4.291 4.320 -0.003 0.000 0.219 119 A C 0.651 178.200 177.584 -0.058 0.000 1.163 119 A CA 1.147 53.144 52.037 -0.066 0.000 0.646 119 A CB 0.020 18.995 19.000 -0.041 0.000 0.806 119 A HN 0.556 nan 8.150 nan 0.000 0.448 120 D N -0.360 120.007 120.400 -0.055 0.000 2.607 120 D HA 0.275 4.913 4.640 -0.003 0.000 0.318 120 D C -2.722 173.550 176.300 -0.048 0.000 1.212 120 D CA -1.916 52.058 54.000 -0.043 0.000 0.861 120 D CB 0.717 41.499 40.800 -0.029 0.000 1.064 120 D HN 0.189 nan 8.370 nan 0.000 0.500 121 P HA 0.149 nan 4.420 nan 0.000 0.274 121 P C 0.146 177.419 177.300 -0.044 0.000 1.231 121 P CA -0.346 62.713 63.100 -0.067 0.000 0.790 121 P CB 1.149 32.782 31.700 -0.112 0.000 0.951 122 S N 2.064 117.746 115.700 -0.030 0.000 2.624 122 S HA 0.216 4.683 4.470 -0.003 0.000 0.263 122 S C 1.376 175.964 174.600 -0.021 0.000 1.287 122 S CA -0.583 57.605 58.200 -0.020 0.000 0.990 122 S CB 0.814 64.007 63.200 -0.011 0.000 0.950 122 S HN 0.357 nan 8.310 nan 0.000 0.561 123 R N 0.675 121.167 120.500 -0.013 0.000 2.096 123 R HA -0.097 4.241 4.340 -0.003 0.000 0.235 123 R C 2.278 178.582 176.300 0.006 0.000 1.127 123 R CA 1.842 57.938 56.100 -0.006 0.000 0.968 123 R CB -0.407 29.889 30.300 -0.006 0.000 0.861 123 R HN 0.771 nan 8.270 nan 0.000 0.440 124 E N 0.434 120.638 120.200 0.006 0.000 2.110 124 E HA -0.176 4.172 4.350 -0.003 0.000 0.193 124 E C 1.459 178.074 176.600 0.024 0.000 0.988 124 E CA 1.106 57.516 56.400 0.016 0.000 0.804 124 E CB -0.011 29.696 29.700 0.012 0.000 0.745 124 E HN 0.295 nan 8.360 nan 0.000 0.458 125 D N 0.272 120.679 120.400 0.012 0.000 2.117 125 D HA -0.132 4.506 4.640 -0.003 0.000 0.197 125 D C 2.074 178.383 176.300 0.014 0.000 0.987 125 D CA 0.805 54.817 54.000 0.021 0.000 0.829 125 D CB -0.197 40.598 40.800 -0.009 0.000 0.961 125 D HN 0.026 nan 8.370 nan 0.000 0.460 126 V N 0.986 120.873 119.914 -0.045 0.000 2.295 126 V HA -0.229 3.889 4.120 -0.003 0.000 0.246 126 V C 2.470 178.514 176.094 -0.083 0.000 1.049 126 V CA 1.582 63.792 62.300 -0.150 0.000 1.024 126 V CB -0.387 31.367 31.823 -0.113 0.000 0.648 126 V HN 0.115 nan 8.190 nan 0.000 0.447 127 R N 0.032 120.566 120.500 0.057 0.000 2.081 127 R HA -0.163 4.175 4.340 -0.003 0.000 0.235 127 R C 2.121 178.504 176.300 0.138 0.000 1.131 127 R CA 1.787 57.971 56.100 0.140 0.000 0.960 127 R CB -0.510 29.846 30.300 0.093 0.000 0.856 127 R HN 0.502 nan 8.270 nan 0.000 0.436 128 D N -0.165 120.296 120.400 0.101 0.000 2.123 128 D HA -0.240 4.398 4.640 -0.003 0.000 0.196 128 D C 1.464 177.851 176.300 0.146 0.000 0.992 128 D CA 0.818 54.877 54.000 0.099 0.000 0.833 128 D CB -0.316 40.536 40.800 0.086 0.000 0.954 128 D HN 0.361 nan 8.370 nan 0.000 0.455 129 W N 0.548 121.834 121.300 -0.024 0.000 2.379 129 W HA -0.216 4.442 4.660 -0.003 0.000 0.307 129 W C 1.606 178.251 176.519 0.210 0.000 1.200 129 W CA 0.786 58.155 57.345 0.040 0.000 1.297 129 W CB -0.431 28.925 29.460 -0.174 0.000 1.140 129 W HN -0.087 nan 8.180 nan 0.000 0.507 130 F N 1.208 121.393 119.950 0.393 0.000 2.293 130 F HA -0.179 4.346 4.527 -0.003 0.000 0.300 130 F C 2.532 178.408 175.800 0.127 0.000 1.086 130 F CA 1.637 59.802 58.000 0.276 0.000 1.375 130 F CB -1.524 37.727 39.000 0.418 0.000 1.045 130 F HN 0.009 nan 8.300 nan 0.000 0.516 131 Q N 1.118 121.066 119.800 0.247 0.000 2.046 131 Q HA -0.205 4.133 4.340 -0.003 0.000 0.200 131 Q C 2.222 178.187 176.000 -0.057 0.000 0.975 131 Q CA 1.869 57.727 55.803 0.091 0.000 0.836 131 Q CB -0.227 28.538 28.738 0.046 0.000 0.896 131 Q HN 0.116 nan 8.270 nan 0.000 0.428 132 K N -0.639 119.677 120.400 -0.139 0.000 2.063 132 K HA -0.171 4.147 4.320 -0.003 0.000 0.208 132 K C 1.089 177.382 176.600 -0.512 0.000 1.048 132 K CA 1.918 57.981 56.287 -0.373 0.000 0.928 132 K CB -0.359 31.817 32.500 -0.540 0.000 0.713 132 K HN 0.481 nan 8.250 nan 0.000 0.442 133 H N -0.386 118.520 119.070 -0.273 0.000 2.526 133 H HA 0.358 4.912 4.556 -0.003 0.000 0.274 133 H C -0.319 174.931 175.328 -0.129 0.000 0.999 133 H CA 0.190 56.090 56.048 -0.247 0.000 1.157 133 H CB 0.267 29.831 29.762 -0.330 0.000 1.407 133 H HN 0.126 nan 8.280 nan 0.000 0.568 134 R N 0.223 120.709 120.500 -0.024 0.000 3.641 134 R HA -0.195 4.143 4.340 -0.003 0.000 0.286 134 R C -1.002 175.372 176.300 0.123 0.000 1.153 134 R CA 0.342 56.453 56.100 0.018 0.000 0.775 134 R CB -2.433 27.815 30.300 -0.087 0.000 1.215 134 R HN 0.477 nan 8.270 nan 0.000 0.474 135 N N 0.821 119.542 118.700 0.035 0.000 2.399 135 N HA 0.319 5.057 4.740 -0.003 0.000 0.259 135 N C -0.143 175.376 175.510 0.015 0.000 1.160 135 N CA 0.364 53.206 53.050 -0.347 0.000 0.946 135 N CB 1.119 38.921 38.487 -1.142 0.000 1.156 135 N HN 0.346 nan 8.380 nan 0.000 0.489 136 A N 1.924 124.828 122.820 0.139 0.000 2.305 136 A HA 0.622 4.940 4.320 -0.003 0.000 0.322 136 A C -0.581 177.284 177.584 0.469 0.000 1.187 136 A CA -0.643 51.598 52.037 0.340 0.000 0.825 136 A CB 0.864 19.756 19.000 -0.180 0.000 1.164 136 A HN 0.739 nan 8.150 nan 0.000 0.498 137 C N 2.459 122.012 119.300 0.421 0.000 2.535 137 C HA 0.775 5.233 4.460 -0.003 0.000 0.319 137 C C 0.956 175.970 174.990 0.041 0.000 1.171 137 C CA -0.539 58.557 59.018 0.131 0.000 1.394 137 C CB 1.523 29.116 27.740 -0.246 0.000 1.990 137 C HN 1.088 nan 8.230 nan 0.000 0.466 138 R N 2.405 123.004 120.500 0.164 0.000 2.308 138 R HA 0.309 4.647 4.340 -0.003 0.000 0.202 138 R C 1.253 177.538 176.300 -0.026 0.000 0.898 138 R CA 1.194 57.309 56.100 0.025 0.000 1.046 138 R CB -0.608 29.767 30.300 0.125 0.000 1.026 138 R HN 0.857 nan 8.270 nan 0.000 0.512 139 C N -1.499 117.882 119.300 0.136 0.000 2.525 139 C HA 0.181 4.639 4.460 -0.003 0.000 0.291 139 C C 2.111 177.137 174.990 0.060 0.000 1.351 139 C CA 0.886 60.036 59.018 0.220 0.000 1.771 139 C CB 0.132 28.007 27.740 0.225 0.000 2.177 139 C HN 0.650 nan 8.230 nan 0.000 0.510 140 T N -2.939 111.575 114.554 -0.066 0.000 3.001 140 T HA 0.342 4.690 4.350 -0.003 0.000 0.251 140 T C 1.549 176.225 174.700 -0.039 0.000 1.040 140 T CA 1.199 63.265 62.100 -0.056 0.000 0.985 140 T CB 0.028 68.814 68.868 -0.137 0.000 1.011 140 T HN 0.846 nan 8.240 nan 0.000 0.509 141 G N 0.943 109.651 108.800 -0.154 0.000 2.168 141 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.257 141 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.257 141 G C 0.581 175.506 174.900 0.041 0.000 0.997 141 G CA 0.607 45.678 45.100 -0.048 0.000 0.708 141 G HN 0.664 nan 8.290 nan 0.000 0.520 142 Y N -1.850 118.416 120.300 -0.057 0.000 3.299 142 Y HA -0.380 4.168 4.550 -0.003 0.000 0.448 142 Y C 2.148 177.973 175.900 -0.125 0.000 1.224 142 Y CA 2.743 60.795 58.100 -0.080 0.000 2.431 142 Y CB -1.652 36.837 38.460 0.048 0.000 0.866 142 Y HN 0.506 nan 8.280 nan 0.000 0.499 143 K N 0.839 121.213 120.400 -0.043 0.000 2.074 143 K HA -0.175 4.143 4.320 -0.003 0.000 0.209 143 K C -1.164 175.340 176.600 -0.160 0.000 1.048 143 K CA 2.236 58.422 56.287 -0.168 0.000 0.926 143 K CB -0.730 31.488 32.500 -0.470 0.000 0.713 143 K HN 0.319 nan 8.250 nan 0.000 0.444 144 P HA -0.111 nan 4.420 nan 0.000 0.221 144 P C 0.989 178.053 177.300 -0.393 0.000 1.150 144 P CA 1.052 64.052 63.100 -0.166 0.000 0.800 144 P CB 0.036 31.680 31.700 -0.093 0.000 0.787 145 L N -1.606 119.354 121.223 -0.439 0.000 2.056 145 L HA -0.109 4.229 4.340 -0.003 0.000 0.207 145 L C 2.300 178.985 176.870 -0.308 0.000 1.078 145 L CA 1.220 55.651 54.840 -0.681 0.000 0.749 145 L CB -1.389 40.347 42.059 -0.539 0.000 0.901 145 L HN -0.143 nan 8.230 nan 0.000 0.433 146 V N 0.081 119.970 119.914 -0.043 0.000 2.295 146 V HA -0.274 3.844 4.120 -0.003 0.000 0.246 146 V C 2.195 178.221 176.094 -0.112 0.000 1.049 146 V CA 1.910 64.237 62.300 0.046 0.000 1.024 146 V CB -0.586 31.282 31.823 0.074 0.000 0.648 146 V HN 0.399 nan 8.190 nan 0.000 0.447 147 D N 0.679 120.948 120.400 -0.218 0.000 2.116 147 D HA -0.194 4.444 4.640 -0.003 0.000 0.193 147 D C 2.217 178.157 176.300 -0.599 0.000 0.998 147 D CA 1.887 55.672 54.000 -0.358 0.000 0.836 147 D CB -0.443 40.147 40.800 -0.350 0.000 0.951 147 D HN 0.457 nan 8.370 nan 0.000 0.449 148 A N 0.441 122.886 122.820 -0.624 0.000 1.902 148 A HA -0.130 4.188 4.320 -0.003 0.000 0.217 148 A C 2.554 180.078 177.584 -0.099 0.000 1.181 148 A CA 1.310 53.064 52.037 -0.472 0.000 0.623 148 A CB -0.745 17.910 19.000 -0.574 0.000 0.818 148 A HN 0.154 nan 8.150 nan 0.000 0.443 149 V N 0.118 120.037 119.914 0.008 0.000 2.343 149 V HA -0.305 3.813 4.120 -0.003 0.000 0.247 149 V C 2.700 178.821 176.094 0.044 0.000 1.051 149 V CA 2.046 64.444 62.300 0.163 0.000 1.036 149 V CB -0.701 31.251 31.823 0.215 0.000 0.654 149 V HN 0.504 nan 8.190 nan 0.000 0.451 150 M N -0.430 119.151 119.600 -0.031 0.000 2.117 150 M HA -0.162 4.316 4.480 -0.003 0.000 0.262 150 M C 2.056 178.343 176.300 -0.022 0.000 1.065 150 M CA 1.738 57.016 55.300 -0.037 0.000 1.114 150 M CB -1.354 31.212 32.600 -0.057 0.000 1.361 150 M HN 0.359 nan 8.290 nan 0.000 0.408 151 D N 0.210 120.582 120.400 -0.046 0.000 2.117 151 D HA -0.016 4.622 4.640 -0.003 0.000 0.198 151 D C 1.945 178.281 176.300 0.061 0.000 0.982 151 D CA 1.567 55.582 54.000 0.026 0.000 0.828 151 D CB 0.104 40.959 40.800 0.092 0.000 0.967 151 D HN 0.264 nan 8.370 nan 0.000 0.464 152 A N 0.649 123.518 122.820 0.082 0.000 1.902 152 A HA -0.031 4.287 4.320 -0.003 0.000 0.217 152 A C 2.353 179.974 177.584 0.061 0.000 1.181 152 A CA 2.335 54.434 52.037 0.104 0.000 0.623 152 A CB -0.931 18.179 19.000 0.184 0.000 0.818 152 A HN 0.275 nan 8.150 nan 0.000 0.443 153 A N -0.162 122.686 122.820 0.046 0.000 1.933 153 A HA 0.138 4.456 4.320 -0.003 0.000 0.218 153 A C 2.483 180.072 177.584 0.008 0.000 1.175 153 A CA 2.109 54.156 52.037 0.017 0.000 0.628 153 A CB -0.966 18.031 19.000 -0.005 0.000 0.814 153 A HN 1.083 nan 8.150 nan 0.000 0.444 154 A N -0.720 122.107 122.820 0.012 0.000 1.933 154 A HA 0.043 4.361 4.320 -0.003 0.000 0.218 154 A C 2.218 179.807 177.584 0.008 0.000 1.175 154 A CA 1.718 53.760 52.037 0.008 0.000 0.628 154 A CB -0.745 18.264 19.000 0.014 0.000 0.814 154 A HN 0.359 nan 8.150 nan 0.000 0.444 155 V N 0.053 119.974 119.914 0.013 0.000 2.323 155 V HA -0.220 3.898 4.120 -0.003 0.000 0.244 155 V C 2.368 178.455 176.094 -0.012 0.000 1.041 155 V CA 1.916 64.218 62.300 0.003 0.000 1.025 155 V CB -0.612 31.215 31.823 0.006 0.000 0.656 155 V HN 0.573 nan 8.190 nan 0.000 0.451 156 I N 0.894 121.456 120.570 -0.014 0.000 2.454 156 I HA -0.199 3.969 4.170 -0.003 0.000 0.254 156 I C 1.760 177.868 176.117 -0.015 0.000 1.156 156 I CA 1.211 62.497 61.300 -0.024 0.000 1.433 156 I CB -0.374 37.618 38.000 -0.013 0.000 1.082 156 I HN 0.357 nan 8.210 nan 0.000 0.432 157 N N 0.795 119.489 118.700 -0.010 0.000 2.398 157 N HA 0.062 4.800 4.740 -0.003 0.000 0.188 157 N C 1.334 176.839 175.510 -0.008 0.000 1.122 157 N CA 0.938 53.982 53.050 -0.010 0.000 0.866 157 N CB 0.543 39.024 38.487 -0.010 0.000 0.970 157 N HN 0.411 nan 8.380 nan 0.000 0.462 158 G N 0.955 109.750 108.800 -0.008 0.000 2.143 158 G HA2 -0.344 3.614 3.960 -0.003 0.000 0.248 158 G HA3 -0.344 3.614 3.960 -0.003 0.000 0.248 158 G C 0.959 175.857 174.900 -0.004 0.000 0.991 158 G CA 0.560 45.655 45.100 -0.007 0.000 0.689 158 G HN 0.388 nan 8.290 nan 0.000 0.522 159 K N -0.117 120.282 120.400 -0.002 0.000 2.305 159 K HA 0.103 4.421 4.320 -0.003 0.000 0.199 159 K C 1.215 177.816 176.600 0.002 0.000 1.047 159 K CA 1.322 57.609 56.287 -0.000 0.000 0.976 159 K CB 0.133 32.634 32.500 0.001 0.000 0.765 159 K HN 0.694 nan 8.250 nan 0.000 0.474 160 K N 0.600 121.003 120.400 0.004 0.000 2.532 160 K HA 0.367 4.685 4.320 -0.003 0.000 0.265 160 K C -3.174 173.428 176.600 0.003 0.000 0.948 160 K CA -2.075 54.215 56.287 0.005 0.000 0.842 160 K CB 1.789 34.296 32.500 0.012 0.000 1.392 160 K HN -0.313 nan 8.250 nan 0.000 0.436 161 P HA 0.020 nan 4.420 nan 0.000 0.275 161 P C 0.046 177.347 177.300 0.001 0.000 1.228 161 P CA -0.026 63.073 63.100 -0.002 0.000 0.786 161 P CB 1.226 32.923 31.700 -0.004 0.000 0.927 162 E N 1.515 121.713 120.200 -0.003 0.000 2.209 162 E HA -0.189 4.159 4.350 -0.003 0.000 0.196 162 E C 1.300 177.904 176.600 0.006 0.000 0.993 162 E CA 1.756 58.155 56.400 -0.001 0.000 0.819 162 E CB -0.226 29.466 29.700 -0.013 0.000 0.745 162 E HN 0.578 nan 8.360 nan 0.000 0.477 163 T N -1.550 113.005 114.554 0.002 0.000 2.929 163 T HA -0.130 4.218 4.350 -0.003 0.000 0.271 163 T C 1.190 175.890 174.700 -0.000 0.000 1.085 163 T CA 1.138 63.239 62.100 0.002 0.000 1.125 163 T CB -0.181 68.685 68.868 -0.004 0.000 0.874 163 T HN 0.040 nan 8.240 nan 0.000 0.494 164 D N 1.052 121.453 120.400 0.002 0.000 2.348 164 D HA 0.103 4.741 4.640 -0.003 0.000 0.216 164 D C 1.581 177.890 176.300 0.014 0.000 0.970 164 D CA 0.359 54.359 54.000 -0.000 0.000 0.889 164 D CB -0.171 40.633 40.800 0.006 0.000 0.912 164 D HN 0.440 nan 8.370 nan 0.000 0.524 165 L N 0.301 121.542 121.223 0.030 0.000 2.591 165 L HA 0.084 4.422 4.340 -0.003 0.000 0.228 165 L C 0.533 177.430 176.870 0.045 0.000 1.133 165 L CA 0.373 55.244 54.840 0.052 0.000 0.880 165 L CB 0.152 42.254 42.059 0.072 0.000 1.033 165 L HN -0.179 nan 8.230 nan 0.000 0.450 166 E N 0.530 120.749 120.200 0.031 0.000 2.175 166 E HA 0.164 4.512 4.350 -0.003 0.000 0.278 166 E C -0.863 175.768 176.600 0.052 0.000 0.969 166 E CA -0.794 55.633 56.400 0.045 0.000 0.796 166 E CB 1.961 31.680 29.700 0.031 0.000 1.104 166 E HN -0.120 nan 8.360 nan 0.000 0.395 167 F N 3.430 123.342 119.950 -0.062 0.000 2.578 167 F HA -0.005 4.520 4.527 -0.003 0.000 0.376 167 F C 0.268 176.056 175.800 -0.021 0.000 1.085 167 F CA 0.187 58.149 58.000 -0.063 0.000 1.260 167 F CB 0.452 39.385 39.000 -0.112 0.000 1.095 167 F HN -0.018 nan 8.300 nan 0.000 0.573 168 K N 7.855 127.765 120.400 -0.815 0.000 2.213 168 K HA 0.267 4.585 4.320 -0.003 0.000 0.270 168 K C -0.141 175.950 176.600 -0.849 0.000 1.002 168 K CA -0.661 55.276 56.287 -0.584 0.000 0.868 168 K CB 1.357 33.636 32.500 -0.368 0.000 1.093 168 K HN 0.614 nan 8.250 nan 0.000 0.454 169 M N 3.399 122.803 119.600 -0.326 0.000 2.249 169 M HA 0.117 4.595 4.480 -0.003 0.000 0.340 169 M C -1.935 174.288 176.300 -0.129 0.000 1.166 169 M CA -1.890 53.350 55.300 -0.100 0.000 1.115 169 M CB -0.697 31.934 32.600 0.051 0.000 1.606 169 M HN 0.165 nan 8.290 nan 0.000 0.448 170 P HA 0.089 nan 4.420 nan 0.000 0.269 170 P C 0.042 177.334 177.300 -0.014 0.000 1.215 170 P CA -0.025 63.059 63.100 -0.026 0.000 0.780 170 P CB 0.369 32.086 31.700 0.028 0.000 0.898 171 A N 2.146 124.956 122.820 -0.017 0.000 2.225 171 A HA -0.153 4.165 4.320 -0.003 0.000 0.215 171 A C 1.158 178.745 177.584 0.004 0.000 1.164 171 A CA 1.700 53.732 52.037 -0.010 0.000 0.710 171 A CB -0.997 17.995 19.000 -0.012 0.000 0.780 171 A HN 0.652 nan 8.150 nan 0.000 0.473 172 D N -3.681 116.727 120.400 0.014 0.000 2.433 172 D HA 0.283 4.921 4.640 -0.003 0.000 0.211 172 D C 1.110 177.434 176.300 0.040 0.000 1.114 172 D CA 0.757 54.770 54.000 0.022 0.000 0.837 172 D CB -0.539 40.273 40.800 0.020 0.000 0.984 172 D HN 0.657 nan 8.370 nan 0.000 0.505 173 G N 0.880 109.708 108.800 0.046 0.000 2.179 173 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.260 173 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.260 173 G C 0.233 175.195 174.900 0.103 0.000 0.977 173 G CA 0.076 45.218 45.100 0.071 0.000 0.641 173 G HN 0.568 nan 8.290 nan 0.000 0.533 174 R N 0.591 121.144 120.500 0.087 0.000 2.308 174 R HA 0.568 4.906 4.340 -0.003 0.000 0.305 174 R C 1.826 178.111 176.300 -0.025 0.000 1.053 174 R CA -0.022 56.142 56.100 0.106 0.000 0.957 174 R CB 0.184 30.537 30.300 0.088 0.000 1.022 174 R HN 0.558 nan 8.270 nan 0.000 0.461 175 I N 1.381 121.830 120.570 -0.202 0.000 4.035 175 I HA 0.218 4.386 4.170 -0.003 0.000 0.321 175 I C 0.482 176.550 176.117 -0.082 0.000 1.289 175 I CA -0.665 60.490 61.300 -0.243 0.000 1.236 175 I CB 0.114 37.724 38.000 -0.650 0.000 1.076 175 I HN 0.460 nan 8.210 nan 0.000 0.418 176 W N 4.810 126.023 121.300 -0.145 0.000 2.347 176 W HA 0.209 4.867 4.660 -0.003 0.000 0.333 176 W C 1.016 177.476 176.519 -0.098 0.000 1.383 176 W CA 1.747 59.017 57.345 -0.126 0.000 1.283 176 W CB 0.454 29.801 29.460 -0.189 0.000 1.253 176 W HN 0.537 nan 8.180 nan 0.000 0.563 177 G N 3.172 111.646 108.800 -0.545 0.000 2.199 177 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.254 177 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.254 177 G C 0.332 175.121 174.900 -0.186 0.000 0.982 177 G CA 0.523 45.411 45.100 -0.353 0.000 0.632 177 G HN 1.031 nan 8.290 nan 0.000 0.529 178 S N -0.796 114.828 115.700 -0.126 0.000 2.694 178 S HA 0.678 5.146 4.470 -0.003 0.000 0.278 178 S C 0.684 175.261 174.600 -0.039 0.000 1.152 178 S CA 0.066 58.263 58.200 -0.006 0.000 1.010 178 S CB 1.311 64.582 63.200 0.118 0.000 1.104 178 S HN 0.234 nan 8.310 nan 0.000 0.547 179 K N -0.067 120.377 120.400 0.073 0.000 2.570 179 K HA 0.171 4.489 4.320 -0.003 0.000 0.210 179 K C -0.866 175.539 176.600 -0.325 0.000 1.048 179 K CA -0.229 56.043 56.287 -0.025 0.000 1.167 179 K CB -0.263 32.286 32.500 0.083 0.000 0.892 179 K HN 0.562 nan 8.250 nan 0.000 0.480 180 Y N 2.753 122.621 120.300 -0.719 0.000 2.810 180 Y HA -0.051 4.497 4.550 -0.003 0.000 0.332 180 Y C -2.267 173.232 175.900 -0.668 0.000 1.243 180 Y CA -1.790 55.590 58.100 -1.200 0.000 1.537 180 Y CB 0.290 38.301 38.460 -0.748 0.000 1.265 180 Y HN 0.113 nan 8.280 nan 0.000 0.572 181 P HA 0.070 nan 4.420 nan 0.000 0.269 181 P C -1.209 175.813 177.300 -0.463 0.000 1.215 181 P CA -0.144 62.604 63.100 -0.586 0.000 0.780 181 P CB 0.406 31.802 31.700 -0.507 0.000 0.898 182 R N 3.295 123.638 120.500 -0.261 0.000 2.490 182 R HA 0.280 4.618 4.340 -0.003 0.000 0.280 182 R C -2.042 174.171 176.300 -0.145 0.000 1.077 182 R CA -1.395 54.588 56.100 -0.195 0.000 1.065 182 R CB -0.559 29.628 30.300 -0.188 0.000 1.003 182 R HN 0.250 nan 8.270 nan 0.000 0.470 183 P HA -0.182 nan 4.420 nan 0.000 0.216 183 P C 0.932 178.268 177.300 0.060 0.000 1.150 183 P CA 1.743 64.856 63.100 0.020 0.000 0.843 183 P CB 0.026 31.815 31.700 0.149 0.000 0.787 184 T N -4.218 110.354 114.554 0.031 0.000 3.148 184 T HA 0.255 4.603 4.350 -0.003 0.000 0.253 184 T C 1.726 176.473 174.700 0.079 0.000 1.134 184 T CA 0.560 62.724 62.100 0.106 0.000 1.051 184 T CB -0.687 68.251 68.868 0.117 0.000 0.959 184 T HN -0.016 nan 8.240 nan 0.000 0.525 185 A N 1.455 124.295 122.820 0.034 0.000 1.902 185 A HA 0.066 4.384 4.320 -0.003 0.000 0.217 185 A C 2.504 180.133 177.584 0.075 0.000 1.181 185 A CA 1.388 53.459 52.037 0.056 0.000 0.623 185 A CB -1.097 17.915 19.000 0.020 0.000 0.818 185 A HN 0.402 nan 8.150 nan 0.000 0.443 186 V N -0.113 119.833 119.914 0.053 0.000 2.332 186 V HA -0.281 3.837 4.120 -0.003 0.000 0.248 186 V C 3.058 179.188 176.094 0.060 0.000 1.055 186 V CA 2.038 64.371 62.300 0.055 0.000 1.038 186 V CB -1.163 30.685 31.823 0.041 0.000 0.651 186 V HN 0.628 nan 8.190 nan 0.000 0.450 187 A N -0.403 122.459 122.820 0.069 0.000 1.902 187 A HA -0.241 4.077 4.320 -0.003 0.000 0.217 187 A C 2.270 179.896 177.584 0.070 0.000 1.181 187 A CA 2.002 54.076 52.037 0.063 0.000 0.623 187 A CB -0.417 18.627 19.000 0.072 0.000 0.818 187 A HN 0.555 nan 8.150 nan 0.000 0.443 188 K N -0.259 120.202 120.400 0.100 0.000 2.057 188 K HA -0.100 4.218 4.320 -0.003 0.000 0.207 188 K C 1.788 178.441 176.600 0.090 0.000 1.049 188 K CA 1.620 57.990 56.287 0.139 0.000 0.931 188 K CB -0.399 32.214 32.500 0.188 0.000 0.714 188 K HN 0.522 nan 8.250 nan 0.000 0.440 189 V N -0.819 119.134 119.914 0.065 0.000 3.217 189 V HA -0.048 4.070 4.120 -0.003 0.000 0.264 189 V C 1.600 177.677 176.094 -0.029 0.000 1.135 189 V CA 1.629 63.925 62.300 -0.006 0.000 1.142 189 V CB -0.641 31.203 31.823 0.034 0.000 0.754 189 V HN 0.332 nan 8.190 nan 0.000 0.484 190 T N -3.579 110.979 114.554 0.006 0.000 3.054 190 T HA 0.437 4.785 4.350 -0.003 0.000 0.255 190 T C 1.598 176.296 174.700 -0.003 0.000 1.035 190 T CA 0.569 62.668 62.100 -0.001 0.000 0.941 190 T CB 0.248 69.125 68.868 0.015 0.000 1.026 190 T HN 1.501 nan 8.240 nan 0.000 0.533 191 G N 2.068 110.874 108.800 0.009 0.000 2.198 191 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.260 191 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.260 191 G C 0.662 175.578 174.900 0.026 0.000 1.025 191 G CA 0.715 45.826 45.100 0.020 0.000 0.769 191 G HN 1.025 nan 8.290 nan 0.000 0.507 192 T N -2.796 111.771 114.554 0.022 0.000 3.134 192 T HA 0.561 4.909 4.350 -0.003 0.000 0.260 192 T C 0.583 175.275 174.700 -0.014 0.000 1.027 192 T CA 0.143 62.246 62.100 0.006 0.000 0.913 192 T CB 0.717 69.589 68.868 0.006 0.000 1.046 192 T HN 0.716 nan 8.240 nan 0.000 0.553 193 L N 2.762 123.970 121.223 -0.026 0.000 2.257 193 L HA 0.486 4.824 4.340 -0.003 0.000 0.290 193 L C -1.169 175.568 176.870 -0.220 0.000 1.044 193 L CA -0.407 54.349 54.840 -0.140 0.000 0.810 193 L CB 0.686 42.636 42.059 -0.182 0.000 1.193 193 L HN 0.022 nan 8.230 nan 0.000 0.425 194 D N 5.111 125.390 120.400 -0.202 0.000 2.339 194 D HA 0.162 4.800 4.640 -0.003 0.000 0.241 194 D C -0.389 175.830 176.300 -0.136 0.000 1.183 194 D CA 0.278 54.219 54.000 -0.098 0.000 0.859 194 D CB 0.440 41.205 40.800 -0.057 0.000 1.067 194 D HN 0.367 nan 8.370 nan 0.000 0.484 195 Y N 0.078 120.459 120.300 0.135 0.000 2.289 195 Y HA 0.296 4.844 4.550 -0.004 0.000 0.332 195 Y C 2.059 178.083 175.900 0.207 0.000 1.324 195 Y CA -0.568 57.645 58.100 0.188 0.000 1.478 195 Y CB 0.489 39.146 38.460 0.329 0.000 1.378 195 Y HN 0.396 nan 8.280 nan 0.000 0.558 196 G N -0.063 108.977 108.800 0.400 0.000 2.440 196 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.218 196 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.218 196 G C 1.644 176.836 174.900 0.488 0.000 1.154 196 G CA 1.052 46.410 45.100 0.431 0.000 0.767 196 G HN 0.744 nan 8.290 nan 0.000 0.552 197 A N 0.993 124.059 122.820 0.410 0.000 1.930 197 A HA -0.011 4.307 4.320 -0.003 0.000 0.217 197 A C 2.081 179.786 177.584 0.202 0.000 1.175 197 A CA 1.955 54.209 52.037 0.361 0.000 0.627 197 A CB -0.305 18.885 19.000 0.316 0.000 0.815 197 A HN 0.296 nan 8.150 nan 0.000 0.443 198 D N 0.446 120.979 120.400 0.221 0.000 2.097 198 D HA -0.146 4.492 4.640 -0.003 0.000 0.195 198 D C 1.951 178.264 176.300 0.023 0.000 0.989 198 D CA 1.185 55.257 54.000 0.121 0.000 0.827 198 D CB -0.457 40.438 40.800 0.159 0.000 0.966 198 D HN 0.458 nan 8.370 nan 0.000 0.456 199 L N 0.830 122.075 121.223 0.036 0.000 2.042 199 L HA -0.108 4.230 4.340 -0.003 0.000 0.210 199 L C 2.660 179.355 176.870 -0.291 0.000 1.076 199 L CA 1.400 56.171 54.840 -0.114 0.000 0.749 199 L CB -0.820 41.206 42.059 -0.054 0.000 0.893 199 L HN 0.090 nan 8.230 nan 0.000 0.432 200 G N 0.138 108.751 108.800 -0.313 0.000 2.442 200 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.219 200 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.219 200 G C 1.592 176.283 174.900 -0.348 0.000 1.141 200 G CA 0.576 45.236 45.100 -0.734 0.000 0.763 200 G HN 0.275 nan 8.290 nan 0.000 0.554 201 L N -0.600 120.507 121.223 -0.193 0.000 2.376 201 L HA 0.076 4.414 4.340 -0.003 0.000 0.219 201 L C 2.058 178.864 176.870 -0.106 0.000 1.133 201 L CA 0.847 55.621 54.840 -0.110 0.000 0.816 201 L CB -0.024 41.998 42.059 -0.062 0.000 0.933 201 L HN 0.201 nan 8.230 nan 0.000 0.449 202 K N -0.666 119.649 120.400 -0.141 0.000 2.440 202 K HA 0.279 4.597 4.320 -0.003 0.000 0.206 202 K C 0.162 176.659 176.600 -0.172 0.000 1.025 202 K CA -0.174 56.035 56.287 -0.131 0.000 1.135 202 K CB 0.569 33.000 32.500 -0.115 0.000 0.856 202 K HN 0.191 nan 8.250 nan 0.000 0.502 203 M N 1.163 120.638 119.600 -0.208 0.000 2.368 203 M HA 0.272 4.750 4.480 -0.003 0.000 0.311 203 M C -2.280 173.924 176.300 -0.159 0.000 1.168 203 M CA -2.140 53.017 55.300 -0.237 0.000 1.044 203 M CB 0.603 33.005 32.600 -0.331 0.000 1.506 203 M HN -0.250 nan 8.290 nan 0.000 0.475 204 P HA 0.051 nan 4.420 nan 0.000 0.267 204 P C -1.169 176.084 177.300 -0.078 0.000 1.200 204 P CA -0.098 62.934 63.100 -0.113 0.000 0.772 204 P CB 0.326 31.952 31.700 -0.124 0.000 0.855 205 A N 2.582 125.370 122.820 -0.053 0.000 2.531 205 A HA 0.394 4.712 4.320 -0.003 0.000 0.236 205 A C 1.587 179.154 177.584 -0.028 0.000 1.062 205 A CA 0.898 52.918 52.037 -0.028 0.000 0.760 205 A CB -1.315 17.672 19.000 -0.022 0.000 0.995 205 A HN 0.876 nan 8.150 nan 0.000 0.501 206 G N 1.285 110.078 108.800 -0.011 0.000 2.241 206 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.244 206 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.244 206 G C 0.550 175.423 174.900 -0.046 0.000 0.998 206 G CA 0.467 45.557 45.100 -0.017 0.000 0.621 206 G HN 1.302 nan 8.290 nan 0.000 0.519 207 T N 2.309 116.821 114.554 -0.069 0.000 2.871 207 T HA 0.402 4.750 4.350 -0.003 0.000 0.296 207 T C 0.806 175.403 174.700 -0.171 0.000 0.998 207 T CA 0.315 62.334 62.100 -0.134 0.000 1.162 207 T CB 0.700 69.449 68.868 -0.198 0.000 0.947 207 T HN 0.365 nan 8.240 nan 0.000 0.536 208 L N 4.610 125.730 121.223 -0.172 0.000 2.326 208 L HA 0.336 4.674 4.340 -0.003 0.000 0.278 208 L C 0.791 177.543 176.870 -0.197 0.000 1.092 208 L CA -0.725 54.041 54.840 -0.124 0.000 0.810 208 L CB 0.562 42.541 42.059 -0.133 0.000 1.153 208 L HN 0.596 nan 8.230 nan 0.000 0.439 209 H N 4.468 123.576 119.070 0.062 0.000 2.467 209 H HA 0.456 5.010 4.556 -0.004 0.000 0.326 209 H C -0.491 174.901 175.328 0.106 0.000 1.094 209 H CA -0.560 55.555 56.048 0.112 0.000 1.253 209 H CB 1.819 31.637 29.762 0.092 0.000 1.439 209 H HN 0.363 nan 8.280 nan 0.000 0.479 210 L N 1.728 123.079 121.223 0.212 0.000 2.344 210 L HA 0.666 5.004 4.340 -0.003 0.000 0.272 210 L C 0.279 177.240 176.870 0.151 0.000 1.035 210 L CA -0.930 54.002 54.840 0.153 0.000 0.807 210 L CB 1.548 43.684 42.059 0.128 0.000 1.237 210 L HN 0.554 nan 8.230 nan 0.000 0.442 211 A N 2.972 125.856 122.820 0.107 0.000 2.414 211 A HA 0.776 5.094 4.320 -0.003 0.000 0.306 211 A C -0.703 176.904 177.584 0.039 0.000 1.054 211 A CA -0.691 51.391 52.037 0.075 0.000 0.724 211 A CB 1.595 20.635 19.000 0.065 0.000 1.267 211 A HN 0.712 nan 8.150 nan 0.000 0.418 212 M N 1.983 121.582 119.600 -0.002 0.000 2.180 212 M HA 0.298 4.776 4.480 -0.003 0.000 0.358 212 M C -0.654 175.610 176.300 -0.060 0.000 1.233 212 M CA -0.456 54.821 55.300 -0.038 0.000 1.114 212 M CB 1.364 33.903 32.600 -0.102 0.000 1.594 212 M HN 0.359 nan 8.290 nan 0.000 0.467 213 V N 4.442 124.324 119.914 -0.054 0.000 2.368 213 V HA 0.189 4.307 4.120 -0.003 0.000 0.266 213 V C -0.044 175.977 176.094 -0.123 0.000 1.045 213 V CA -0.311 61.948 62.300 -0.069 0.000 0.899 213 V CB 0.459 32.260 31.823 -0.038 0.000 1.006 213 V HN 0.824 nan 8.190 nan 0.000 0.470 214 Q N 2.759 122.455 119.800 -0.174 0.000 2.348 214 Q HA 0.747 5.085 4.340 -0.003 0.000 0.271 214 Q C -0.079 175.751 176.000 -0.282 0.000 1.067 214 Q CA -0.833 54.805 55.803 -0.276 0.000 0.839 214 Q CB 2.375 30.895 28.738 -0.364 0.000 1.354 214 Q HN 0.822 nan 8.270 nan 0.000 0.447 215 A N 1.842 124.478 122.820 -0.308 0.000 2.511 215 A HA 0.080 4.398 4.320 -0.003 0.000 0.242 215 A C 0.161 177.438 177.584 -0.510 0.000 1.069 215 A CA 0.074 51.938 52.037 -0.290 0.000 0.763 215 A CB 0.187 19.069 19.000 -0.198 0.000 1.001 215 A HN 0.539 nan 8.150 nan 0.000 0.498 216 K N 1.352 121.545 120.400 -0.345 0.000 2.399 216 K HA 0.230 4.548 4.320 -0.003 0.000 0.204 216 K C 0.084 176.693 176.600 0.014 0.000 1.023 216 K CA 0.388 56.478 56.287 -0.327 0.000 1.127 216 K CB -0.347 32.098 32.500 -0.091 0.000 0.856 216 K HN 0.724 nan 8.250 nan 0.000 0.514 217 V N -3.724 116.190 119.914 0.000 0.000 3.141 217 V HA 0.469 4.587 4.120 -0.003 0.000 0.312 217 V C 0.914 177.096 176.094 0.148 0.000 1.157 217 V CA -0.815 61.560 62.300 0.125 0.000 1.041 217 V CB 2.035 33.885 31.823 0.045 0.000 1.071 217 V HN -0.112 nan 8.190 nan 0.000 0.441 218 S N -0.388 115.410 115.700 0.163 0.000 2.501 218 S HA 0.196 4.664 4.470 -0.003 0.000 0.220 218 S C 0.284 174.992 174.600 0.179 0.000 0.997 218 S CA 0.837 59.137 58.200 0.166 0.000 0.919 218 S CB -0.494 62.767 63.200 0.102 0.000 0.778 218 S HN 0.935 nan 8.310 nan 0.000 0.523 219 H N -0.817 118.252 119.070 -0.001 0.000 3.129 219 H HA 0.560 5.114 4.556 -0.003 0.000 0.342 219 H C -1.516 173.767 175.328 -0.074 0.000 1.092 219 H CA -0.390 55.635 56.048 -0.038 0.000 1.310 219 H CB 1.258 31.006 29.762 -0.023 0.000 1.932 219 H HN 0.217 nan 8.280 nan 0.000 0.507 220 A N 4.068 126.795 122.820 -0.156 0.000 2.597 220 A HA 0.316 4.634 4.320 -0.003 0.000 0.292 220 A C -1.545 175.893 177.584 -0.243 0.000 1.057 220 A CA -1.013 50.894 52.037 -0.216 0.000 0.674 220 A CB 1.701 20.628 19.000 -0.121 0.000 1.278 220 A HN 0.674 nan 8.150 nan 0.000 0.416 221 N N 0.819 119.398 118.700 -0.201 0.000 2.455 221 N HA 0.476 5.213 4.740 -0.003 0.000 0.280 221 N C -0.723 174.715 175.510 -0.120 0.000 1.055 221 N CA -0.049 52.905 53.050 -0.159 0.000 0.961 221 N CB 1.206 39.620 38.487 -0.122 0.000 1.121 221 N HN 0.582 nan 8.380 nan 0.000 0.476 222 I N 2.502 123.004 120.570 -0.114 0.000 2.395 222 I HA 0.115 4.283 4.170 -0.003 0.000 0.289 222 I C 1.409 177.492 176.117 -0.056 0.000 1.023 222 I CA -0.302 60.949 61.300 -0.081 0.000 1.350 222 I CB 0.895 38.848 38.000 -0.080 0.000 1.409 222 I HN 0.213 nan 8.210 nan 0.000 0.507 223 K N 4.018 124.394 120.400 -0.039 0.000 2.313 223 K HA 0.383 4.701 4.320 -0.003 0.000 0.197 223 K C 0.570 177.166 176.600 -0.006 0.000 1.061 223 K CA 0.134 56.406 56.287 -0.024 0.000 0.980 223 K CB 0.847 33.332 32.500 -0.025 0.000 0.888 223 K HN 0.846 nan 8.250 nan 0.000 0.502 224 G N 0.459 109.258 108.800 -0.002 0.000 2.466 224 G HA2 0.532 4.490 3.960 -0.003 0.000 0.291 224 G HA3 0.532 4.490 3.960 -0.003 0.000 0.291 224 G C -1.711 173.196 174.900 0.012 0.000 1.460 224 G CA -0.813 44.294 45.100 0.013 0.000 0.791 224 G HN -0.030 nan 8.290 nan 0.000 0.505 225 I N 0.869 121.450 120.570 0.019 0.000 2.499 225 I HA 0.343 4.511 4.170 -0.003 0.000 0.288 225 I C -1.572 174.548 176.117 0.006 0.000 1.048 225 I CA -0.669 60.639 61.300 0.013 0.000 1.062 225 I CB 2.482 40.497 38.000 0.026 0.000 1.238 225 I HN 0.421 nan 8.210 nan 0.000 0.426 226 D N 3.915 124.315 120.400 0.000 0.000 2.414 226 D HA 0.255 4.893 4.640 -0.003 0.000 0.232 226 D C 0.706 177.005 176.300 -0.002 0.000 1.070 226 D CA -0.373 53.626 54.000 -0.002 0.000 0.839 226 D CB 1.480 42.279 40.800 -0.003 0.000 1.079 226 D HN 0.630 nan 8.370 nan 0.000 0.521 227 T N -0.254 114.298 114.554 -0.002 0.000 3.069 227 T HA 0.030 4.378 4.350 -0.003 0.000 0.252 227 T C 1.652 176.352 174.700 -0.001 0.000 1.053 227 T CA 0.483 62.583 62.100 -0.000 0.000 0.964 227 T CB -0.157 68.711 68.868 -0.000 0.000 1.005 227 T HN 0.228 nan 8.240 nan 0.000 0.532 228 S N 2.212 117.911 115.700 -0.003 0.000 2.359 228 S HA -0.245 4.223 4.470 -0.003 0.000 0.224 228 S C 1.954 176.554 174.600 -0.002 0.000 1.035 228 S CA 1.392 59.590 58.200 -0.004 0.000 1.018 228 S CB -0.706 62.492 63.200 -0.004 0.000 0.876 228 S HN 0.682 nan 8.310 nan 0.000 0.448 229 E N 1.818 122.018 120.200 -0.000 0.000 2.077 229 E HA -0.093 4.255 4.350 -0.003 0.000 0.193 229 E C 2.198 178.801 176.600 0.005 0.000 0.989 229 E CA 0.929 57.330 56.400 0.002 0.000 0.800 229 E CB -0.533 29.168 29.700 0.002 0.000 0.746 229 E HN 0.648 nan 8.360 nan 0.000 0.452 230 A N 1.154 123.978 122.820 0.006 0.000 1.940 230 A HA -0.163 4.155 4.320 -0.003 0.000 0.219 230 A C 2.189 179.780 177.584 0.013 0.000 1.176 230 A CA 1.173 53.217 52.037 0.011 0.000 0.631 230 A CB -0.694 18.314 19.000 0.013 0.000 0.814 230 A HN 0.342 nan 8.150 nan 0.000 0.446 231 L N -0.015 121.212 121.223 0.007 0.000 2.265 231 L HA -0.133 4.205 4.340 -0.003 0.000 0.215 231 L C 2.591 179.462 176.870 0.002 0.000 1.117 231 L CA 1.630 56.472 54.840 0.002 0.000 0.782 231 L CB -0.645 41.410 42.059 -0.008 0.000 0.914 231 L HN 0.668 nan 8.230 nan 0.000 0.441 232 T N -4.025 110.531 114.554 0.003 0.000 3.129 232 T HA 0.135 4.483 4.350 -0.003 0.000 0.251 232 T C 0.870 175.575 174.700 0.008 0.000 1.117 232 T CA -0.172 61.930 62.100 0.003 0.000 1.034 232 T CB 0.091 68.960 68.868 0.002 0.000 0.968 232 T HN -0.086 nan 8.240 nan 0.000 0.526 233 M N 2.051 121.659 119.600 0.013 0.000 2.247 233 M HA 0.395 4.873 4.480 -0.003 0.000 0.326 233 M C -2.472 173.840 176.300 0.021 0.000 1.134 233 M CA -2.591 52.719 55.300 0.017 0.000 1.136 233 M CB 0.300 32.912 32.600 0.020 0.000 1.454 233 M HN -0.122 nan 8.290 nan 0.000 0.467 234 P HA 0.118 nan 4.420 nan 0.000 0.261 234 P C 0.697 178.016 177.300 0.032 0.000 1.183 234 P CA 0.861 63.974 63.100 0.023 0.000 0.761 234 P CB 0.239 31.950 31.700 0.019 0.000 0.785 235 G N 1.602 110.424 108.800 0.037 0.000 2.184 235 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.264 235 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.264 235 G C 0.169 175.114 174.900 0.076 0.000 0.975 235 G CA -0.076 45.056 45.100 0.053 0.000 0.642 235 G HN 0.531 nan 8.290 nan 0.000 0.536 236 V N 1.837 121.791 119.914 0.066 0.000 2.508 236 V HA 0.310 4.428 4.120 -0.003 0.000 0.281 236 V C 1.612 177.767 176.094 0.102 0.000 1.041 236 V CA 0.271 62.620 62.300 0.083 0.000 1.016 236 V CB 1.447 33.302 31.823 0.054 0.000 0.984 236 V HN 0.451 nan 8.190 nan 0.000 0.478 237 H N 3.604 122.694 119.070 0.034 0.000 2.388 237 H HA 0.148 4.704 4.556 0.000 0.000 0.304 237 H C 0.717 176.059 175.328 0.023 0.000 1.049 237 H CA 1.125 57.191 56.048 0.029 0.000 1.371 237 H CB 1.186 30.970 29.762 0.035 0.000 1.436 237 H HN 0.765 nan 8.280 nan 0.000 0.544 238 S N -0.582 115.209 115.700 0.152 0.000 2.627 238 S HA 0.436 4.904 4.470 -0.003 0.000 0.268 238 S C -1.570 173.089 174.600 0.098 0.000 1.130 238 S CA -0.819 57.428 58.200 0.079 0.000 0.819 238 S CB 2.054 65.332 63.200 0.130 0.000 1.100 238 S HN -0.006 nan 8.310 nan 0.000 0.465 239 V N 1.325 121.272 119.914 0.055 0.000 2.540 239 V HA 0.577 4.695 4.120 -0.003 0.000 0.302 239 V C -0.682 175.434 176.094 0.036 0.000 1.035 239 V CA -0.604 61.724 62.300 0.046 0.000 0.873 239 V CB 1.420 33.259 31.823 0.026 0.000 0.992 239 V HN 0.850 nan 8.190 nan 0.000 0.428 240 I N 4.345 124.939 120.570 0.040 0.000 2.412 240 I HA 0.651 4.819 4.170 -0.003 0.000 0.296 240 I C 0.482 176.609 176.117 0.017 0.000 0.987 240 I CA -0.036 61.280 61.300 0.028 0.000 1.180 240 I CB 2.182 40.208 38.000 0.042 0.000 1.340 240 I HN 0.848 nan 8.210 nan 0.000 0.455 241 T N -0.431 114.115 114.554 -0.012 0.000 2.742 241 T HA 0.277 4.625 4.350 -0.003 0.000 0.282 241 T C 0.962 175.644 174.700 -0.030 0.000 1.025 241 T CA -0.467 61.626 62.100 -0.012 0.000 1.020 241 T CB 0.961 69.795 68.868 -0.058 0.000 1.317 241 T HN 0.761 nan 8.240 nan 0.000 0.538 242 H N 0.116 119.197 119.070 0.017 0.000 2.460 242 H HA 0.089 4.643 4.556 -0.003 0.000 0.297 242 H C 1.597 176.934 175.328 0.016 0.000 1.103 242 H CA 1.571 57.630 56.048 0.019 0.000 1.292 242 H CB -0.341 29.434 29.762 0.022 0.000 1.376 242 H HN 0.558 nan 8.280 nan 0.000 0.531 243 K N 0.175 120.217 120.400 -0.598 0.000 2.283 243 K HA -0.094 4.224 4.320 -0.003 0.000 0.202 243 K C 0.838 177.359 176.600 -0.131 0.000 1.048 243 K CA 1.216 57.285 56.287 -0.365 0.000 0.948 243 K CB 0.183 32.463 32.500 -0.367 0.000 0.742 243 K HN 0.541 nan 8.250 nan 0.000 0.458 244 D N 0.495 120.841 120.400 -0.089 0.000 2.339 244 D HA -0.006 4.632 4.640 -0.003 0.000 0.217 244 D C -0.055 176.243 176.300 -0.004 0.000 1.050 244 D CA 0.316 54.297 54.000 -0.031 0.000 0.856 244 D CB 0.483 41.275 40.800 -0.014 0.000 0.922 244 D HN -0.098 nan 8.370 nan 0.000 0.518 245 V N 1.691 121.610 119.914 0.008 0.000 2.530 245 V HA 0.040 4.158 4.120 -0.003 0.000 0.282 245 V C 1.337 177.443 176.094 0.020 0.000 1.048 245 V CA 0.085 62.400 62.300 0.026 0.000 0.997 245 V CB 1.689 33.543 31.823 0.052 0.000 0.987 245 V HN -0.085 nan 8.190 nan 0.000 0.477 246 K N 2.938 123.346 120.400 0.014 0.000 2.367 246 K HA 0.255 4.573 4.320 -0.003 0.000 0.194 246 K C 0.955 177.559 176.600 0.008 0.000 1.027 246 K CA 0.405 56.697 56.287 0.009 0.000 1.075 246 K CB 0.755 33.258 32.500 0.005 0.000 0.845 246 K HN 0.838 nan 8.250 nan 0.000 0.529 247 G N 0.585 109.393 108.800 0.013 0.000 3.135 247 G HA2 0.117 4.075 3.960 -0.003 0.000 0.159 247 G HA3 0.117 4.075 3.960 -0.003 0.000 0.159 247 G C 0.057 174.964 174.900 0.012 0.000 1.244 247 G CA -0.453 44.654 45.100 0.011 0.000 0.965 247 G HN -0.114 nan 8.290 nan 0.000 0.599 248 K N 0.053 120.459 120.400 0.011 0.000 2.439 248 K HA -0.032 4.286 4.320 -0.003 0.000 0.197 248 K C 0.830 177.450 176.600 0.034 0.000 1.041 248 K CA 0.718 56.999 56.287 -0.011 0.000 0.970 248 K CB -0.027 32.432 32.500 -0.069 0.000 0.773 248 K HN 0.423 nan 8.250 nan 0.000 0.479 249 N N 1.151 119.884 118.700 0.055 0.000 2.735 249 N HA -0.175 4.563 4.740 -0.003 0.000 0.248 249 N C -1.490 174.059 175.510 0.064 0.000 1.083 249 N CA 0.700 53.786 53.050 0.061 0.000 0.703 249 N CB -0.397 38.136 38.487 0.076 0.000 1.005 249 N HN 0.084 nan 8.380 nan 0.000 0.550 250 R N 0.022 120.583 120.500 0.103 0.000 2.651 250 R HA 0.472 4.810 4.340 -0.003 0.000 0.278 250 R C -0.188 176.180 176.300 0.114 0.000 1.010 250 R CA -0.685 55.491 56.100 0.128 0.000 0.896 250 R CB 0.989 31.462 30.300 0.290 0.000 1.211 250 R HN 0.195 nan 8.270 nan 0.000 0.456 251 I N 0.984 121.517 120.570 -0.062 0.000 2.365 251 I HA 0.160 4.328 4.170 -0.003 0.000 0.291 251 I C 0.919 176.842 176.117 -0.323 0.000 1.004 251 I CA -0.212 60.986 61.300 -0.169 0.000 1.311 251 I CB 1.797 39.649 38.000 -0.247 0.000 1.401 251 I HN 0.370 nan 8.210 nan 0.000 0.491 252 T N 3.829 118.064 114.554 -0.530 0.000 2.837 252 T HA 0.299 4.647 4.350 -0.003 0.000 0.285 252 T C 1.215 175.562 174.700 -0.588 0.000 0.984 252 T CA -0.354 61.180 62.100 -0.943 0.000 1.049 252 T CB 1.346 69.242 68.868 -1.620 0.000 0.947 252 T HN 0.797 nan 8.240 nan 0.000 0.472 253 G N 3.078 111.528 108.800 -0.583 0.000 2.559 253 G HA2 0.030 3.988 3.960 -0.003 0.000 0.216 253 G HA3 0.030 3.988 3.960 -0.003 0.000 0.216 253 G C 1.151 175.835 174.900 -0.360 0.000 1.126 253 G CA 0.830 45.621 45.100 -0.514 0.000 0.778 253 G HN 0.966 nan 8.290 nan 0.000 0.543 254 L N -1.224 119.805 121.223 -0.323 0.000 3.417 254 L HA -0.266 4.072 4.340 -0.003 0.000 0.368 254 L C 1.352 178.201 176.870 -0.036 0.000 0.810 254 L CA 2.568 57.319 54.840 -0.148 0.000 3.108 254 L CB -0.913 41.133 42.059 -0.023 0.000 0.687 254 L HN 0.522 nan 8.230 nan 0.000 0.756 255 I N -3.206 117.392 120.570 0.047 0.000 3.569 255 I HA 0.351 4.519 4.170 -0.003 0.000 0.334 255 I C 0.370 176.594 176.117 0.178 0.000 1.570 255 I CA -0.246 61.131 61.300 0.128 0.000 1.082 255 I CB 0.425 38.568 38.000 0.238 0.000 1.323 255 I HN 0.047 nan 8.210 nan 0.000 0.489 256 T N 2.646 117.230 114.554 0.050 0.000 2.849 256 T HA 0.029 4.377 4.350 -0.003 0.000 0.289 256 T C 0.080 174.912 174.700 0.220 0.000 1.010 256 T CA 0.502 62.634 62.100 0.054 0.000 1.161 256 T CB -0.079 68.752 68.868 -0.062 0.000 0.989 256 T HN 0.088 nan 8.240 nan 0.000 0.523 257 F N 4.698 124.592 119.950 -0.093 0.000 2.518 257 F HA 0.236 4.761 4.527 -0.003 0.000 0.359 257 F C -1.055 174.764 175.800 0.032 0.000 1.118 257 F CA -2.392 55.584 58.000 -0.040 0.000 1.287 257 F CB 0.014 38.959 39.000 -0.093 0.000 1.132 257 F HN 0.435 nan 8.300 nan 0.000 0.587 258 P HA -0.146 nan 4.420 nan 0.000 0.216 258 P C 1.314 178.725 177.300 0.185 0.000 1.150 258 P CA 1.983 65.162 63.100 0.132 0.000 0.837 258 P CB -0.123 31.615 31.700 0.062 0.000 0.786 259 T N -5.354 109.370 114.554 0.284 0.000 3.148 259 T HA 0.024 4.372 4.350 -0.003 0.000 0.253 259 T C 0.884 175.814 174.700 0.383 0.000 1.134 259 T CA -0.297 61.972 62.100 0.282 0.000 1.051 259 T CB -0.904 68.110 68.868 0.243 0.000 0.959 259 T HN -0.055 nan 8.240 nan 0.000 0.525 260 N N 2.138 121.100 118.700 0.436 0.000 2.454 260 N HA 0.034 4.772 4.740 -0.003 0.000 0.260 260 N C 0.855 176.504 175.510 0.232 0.000 1.218 260 N CA 0.151 53.427 53.050 0.376 0.000 0.904 260 N CB 0.862 39.458 38.487 0.181 0.000 1.065 260 N HN 0.356 nan 8.380 nan 0.000 0.462 261 K N 1.491 122.031 120.400 0.233 0.000 2.366 261 K HA 0.039 4.357 4.320 -0.003 0.000 0.198 261 K C 0.981 177.635 176.600 0.091 0.000 1.044 261 K CA 0.210 56.587 56.287 0.149 0.000 0.973 261 K CB 0.156 32.747 32.500 0.152 0.000 0.767 261 K HN 0.525 nan 8.250 nan 0.000 0.475 262 G N 1.836 110.659 108.800 0.038 0.000 2.412 262 G HA2 0.095 4.053 3.960 -0.003 0.000 0.318 262 G HA3 0.095 4.053 3.960 -0.003 0.000 0.318 262 G C -0.052 174.820 174.900 -0.045 0.000 1.146 262 G CA -0.502 44.558 45.100 -0.068 0.000 0.882 262 G HN 0.082 nan 8.290 nan 0.000 0.501 263 D N -0.981 119.412 120.400 -0.012 0.000 2.349 263 D HA 0.156 4.794 4.640 -0.003 0.000 0.224 263 D C 1.688 178.001 176.300 0.021 0.000 1.029 263 D CA 0.599 54.644 54.000 0.076 0.000 0.879 263 D CB -0.083 40.828 40.800 0.185 0.000 0.906 263 D HN 1.012 nan 8.370 nan 0.000 0.528 264 G N -0.461 108.253 108.800 -0.142 0.000 2.184 264 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.264 264 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.264 264 G C 0.227 174.890 174.900 -0.396 0.000 0.975 264 G CA 0.168 45.084 45.100 -0.305 0.000 0.642 264 G HN 0.373 nan 8.290 nan 0.000 0.536 265 W N 1.552 122.744 121.300 -0.179 0.000 3.015 265 W HA 0.335 4.993 4.660 -0.004 0.000 0.429 265 W C 1.587 177.985 176.519 -0.200 0.000 0.976 265 W CA 0.149 57.398 57.345 -0.159 0.000 2.086 265 W CB 0.378 29.776 29.460 -0.104 0.000 1.125 265 W HN 0.399 nan 8.180 nan 0.000 0.721 266 D N 0.283 120.591 120.400 -0.154 0.000 2.277 266 D HA -0.090 4.548 4.640 -0.003 0.000 0.208 266 D C 0.818 176.972 176.300 -0.243 0.000 0.962 266 D CA 0.317 54.120 54.000 -0.330 0.000 0.865 266 D CB -0.131 40.193 40.800 -0.793 0.000 0.939 266 D HN 0.184 nan 8.370 nan 0.000 0.510 267 R N 1.788 122.119 120.500 -0.282 0.000 2.234 267 R HA 0.282 4.620 4.340 -0.003 0.000 0.324 267 R C -2.615 173.478 176.300 -0.346 0.000 1.054 267 R CA -1.489 54.271 56.100 -0.566 0.000 0.912 267 R CB 1.094 30.882 30.300 -0.853 0.000 1.030 267 R HN -0.089 nan 8.270 nan 0.000 0.455 268 P HA 0.108 nan 4.420 nan 0.000 0.276 268 P C 0.189 177.417 177.300 -0.120 0.000 1.252 268 P CA -0.241 62.827 63.100 -0.054 0.000 0.802 268 P CB 0.891 32.655 31.700 0.107 0.000 1.035 269 I N -0.321 120.226 120.570 -0.038 0.000 2.385 269 I HA 0.007 4.175 4.170 -0.003 0.000 0.244 269 I C 0.734 176.867 176.117 0.027 0.000 1.089 269 I CA 1.076 62.358 61.300 -0.029 0.000 1.410 269 I CB -0.029 37.968 38.000 -0.005 0.000 1.117 269 I HN 0.124 nan 8.210 nan 0.000 0.429 270 L N 0.314 121.575 121.223 0.062 0.000 2.341 270 L HA 0.344 4.682 4.340 -0.003 0.000 0.278 270 L C -0.575 176.351 176.870 0.093 0.000 1.005 270 L CA -0.852 54.042 54.840 0.090 0.000 0.818 270 L CB 2.069 44.195 42.059 0.112 0.000 1.259 270 L HN 0.147 nan 8.230 nan 0.000 0.418 271 C N 2.047 121.395 119.300 0.080 0.000 2.538 271 C HA -0.003 4.455 4.460 -0.003 0.000 0.408 271 C C 1.115 176.086 174.990 -0.032 0.000 1.421 271 C CA -0.164 58.884 59.018 0.049 0.000 1.642 271 C CB -0.712 27.040 27.740 0.021 0.000 2.553 271 C HN 0.950 nan 8.230 nan 0.000 0.604 272 D N 1.198 121.515 120.400 -0.138 0.000 3.234 272 D HA -0.007 4.631 4.640 -0.003 0.000 0.281 272 D C 1.498 177.637 176.300 -0.267 0.000 1.405 272 D CA 0.320 54.051 54.000 -0.449 0.000 1.115 272 D CB -0.389 40.003 40.800 -0.680 0.000 1.198 272 D HN 0.503 nan 8.370 nan 0.000 0.388 273 E N 0.176 120.283 120.200 -0.155 0.000 2.140 273 E HA 0.177 4.525 4.350 -0.003 0.000 0.191 273 E C 0.147 176.655 176.600 -0.154 0.000 0.973 273 E CA 0.702 57.035 56.400 -0.113 0.000 0.829 273 E CB 0.686 30.361 29.700 -0.042 0.000 0.781 273 E HN 0.309 nan 8.360 nan 0.000 0.466 274 K N 0.198 120.455 120.400 -0.239 0.000 2.508 274 K HA 0.421 4.739 4.320 -0.003 0.000 0.260 274 K C -1.027 175.271 176.600 -0.504 0.000 0.949 274 K CA -0.651 55.364 56.287 -0.454 0.000 0.834 274 K CB 3.158 35.173 32.500 -0.809 0.000 1.365 274 K HN -0.233 nan 8.250 nan 0.000 0.437 275 V N 3.230 122.919 119.914 -0.375 0.000 2.432 275 V HA 0.197 4.315 4.120 -0.003 0.000 0.275 275 V C -0.033 175.916 176.094 -0.241 0.000 1.043 275 V CA 0.072 62.242 62.300 -0.218 0.000 0.925 275 V CB 0.547 32.317 31.823 -0.089 0.000 0.985 275 V HN 0.690 nan 8.190 nan 0.000 0.466 276 F N 2.015 122.052 119.950 0.145 0.000 2.694 276 F HA 0.245 4.770 4.527 -0.003 0.000 0.292 276 F C 1.020 176.819 175.800 -0.001 0.000 1.121 276 F CA -0.224 57.804 58.000 0.047 0.000 1.352 276 F CB 0.445 39.443 39.000 -0.004 0.000 1.107 276 F HN 0.593 nan 8.300 nan 0.000 0.597 277 Q N -1.846 118.100 119.800 0.243 0.000 2.435 277 Q HA 0.259 4.597 4.340 -0.003 0.000 0.282 277 Q C -1.269 174.874 176.000 0.239 0.000 1.020 277 Q CA -1.154 54.789 55.803 0.235 0.000 0.820 277 Q CB 1.241 30.151 28.738 0.287 0.000 1.436 277 Q HN 0.068 nan 8.270 nan 0.000 0.395 278 Y N 1.198 121.572 120.300 0.123 0.000 2.811 278 Y HA 0.241 4.790 4.550 -0.003 0.000 0.334 278 Y C 1.416 177.387 175.900 0.118 0.000 1.247 278 Y CA 2.639 60.797 58.100 0.096 0.000 1.526 278 Y CB 0.423 38.936 38.460 0.089 0.000 1.284 278 Y HN 1.014 nan 8.280 nan 0.000 0.586 279 G N 3.391 111.972 108.800 -0.365 0.000 2.234 279 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.235 279 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.235 279 G C -0.057 174.415 174.900 -0.714 0.000 0.997 279 G CA -0.059 44.826 45.100 -0.359 0.000 0.623 279 G HN 0.667 nan 8.290 nan 0.000 0.514 280 D N 0.544 120.752 120.400 -0.319 0.000 2.583 280 D HA 0.186 4.824 4.640 -0.003 0.000 0.232 280 D C 0.900 176.981 176.300 -0.366 0.000 1.128 280 D CA 0.429 54.301 54.000 -0.214 0.000 0.859 280 D CB 0.837 41.685 40.800 0.080 0.000 1.169 280 D HN 0.364 nan 8.370 nan 0.000 0.481 281 C N 4.723 123.845 119.300 -0.296 0.000 2.555 281 C HA 0.241 4.699 4.460 -0.003 0.000 0.385 281 C C 1.855 176.826 174.990 -0.032 0.000 1.296 281 C CA -0.535 58.392 59.018 -0.151 0.000 1.757 281 C CB -1.500 26.253 27.740 0.022 0.000 2.445 281 C HN 0.544 nan 8.230 nan 0.000 0.571 282 I N 4.415 124.956 120.570 -0.049 0.000 3.526 282 I HA 0.281 4.449 4.170 -0.003 0.000 0.294 282 I C 1.156 177.288 176.117 0.026 0.000 1.229 282 I CA 0.464 61.762 61.300 -0.003 0.000 1.408 282 I CB -0.120 37.864 38.000 -0.028 0.000 1.127 282 I HN 0.747 nan 8.210 nan 0.000 0.439 283 A N 0.679 123.504 122.820 0.007 0.000 2.610 283 A HA 0.798 5.116 4.320 -0.003 0.000 0.291 283 A C -1.628 175.969 177.584 0.021 0.000 1.086 283 A CA -0.427 51.623 52.037 0.022 0.000 0.677 283 A CB 1.345 20.355 19.000 0.017 0.000 1.278 283 A HN 0.041 nan 8.150 nan 0.000 0.414 284 L N 1.050 122.294 121.223 0.036 0.000 2.356 284 L HA 0.542 4.880 4.340 -0.003 0.000 0.277 284 L C -0.765 176.137 176.870 0.053 0.000 0.996 284 L CA -0.983 53.885 54.840 0.047 0.000 0.822 284 L CB 1.925 44.021 42.059 0.060 0.000 1.256 284 L HN 0.468 nan 8.230 nan 0.000 0.413 285 V N 1.803 121.750 119.914 0.055 0.000 2.498 285 V HA 0.220 4.338 4.120 -0.003 0.000 0.279 285 V C -0.081 176.066 176.094 0.089 0.000 1.048 285 V CA -0.389 61.952 62.300 0.067 0.000 0.967 285 V CB 1.354 33.212 31.823 0.058 0.000 0.988 285 V HN 0.812 nan 8.190 nan 0.000 0.473 286 C N 5.163 124.527 119.300 0.107 0.000 2.303 286 C HA 0.916 5.374 4.460 -0.003 0.000 0.326 286 C C 0.641 175.712 174.990 0.134 0.000 1.285 286 C CA -0.392 58.692 59.018 0.110 0.000 1.675 286 C CB -0.110 27.692 27.740 0.104 0.000 2.289 286 C HN 1.068 nan 8.230 nan 0.000 0.512 287 A N 2.664 125.562 122.820 0.130 0.000 2.567 287 A HA 0.702 5.020 4.320 -0.003 0.000 0.289 287 A C 0.624 178.300 177.584 0.152 0.000 1.177 287 A CA -0.237 51.882 52.037 0.135 0.000 0.694 287 A CB 0.717 19.784 19.000 0.112 0.000 1.292 287 A HN 0.720 nan 8.150 nan 0.000 0.425 288 D N -0.156 120.320 120.400 0.128 0.000 2.347 288 D HA 0.037 4.675 4.640 -0.003 0.000 0.215 288 D C 0.562 176.943 176.300 0.134 0.000 0.976 288 D CA 1.411 55.491 54.000 0.134 0.000 0.884 288 D CB -0.048 40.799 40.800 0.079 0.000 0.915 288 D HN 0.822 nan 8.370 nan 0.000 0.526 289 S N -1.951 113.786 115.700 0.062 0.000 2.570 289 S HA 0.245 4.713 4.470 -0.003 0.000 0.270 289 S C 0.576 175.145 174.600 -0.052 0.000 1.149 289 S CA -0.740 57.367 58.200 -0.156 0.000 0.837 289 S CB 2.174 65.295 63.200 -0.131 0.000 1.124 289 S HN -0.043 nan 8.310 nan 0.000 0.465 290 E N 1.054 121.168 120.200 -0.142 0.000 2.085 290 E HA -0.173 4.175 4.350 -0.003 0.000 0.194 290 E C 2.059 178.680 176.600 0.035 0.000 0.994 290 E CA 1.604 58.025 56.400 0.035 0.000 0.801 290 E CB -0.482 29.250 29.700 0.054 0.000 0.743 290 E HN 0.786 nan 8.360 nan 0.000 0.453 291 A N 1.260 124.080 122.820 -0.001 0.000 1.877 291 A HA -0.220 4.098 4.320 -0.003 0.000 0.216 291 A C 1.963 179.562 177.584 0.024 0.000 1.186 291 A CA 1.737 53.783 52.037 0.015 0.000 0.620 291 A CB -0.623 18.378 19.000 0.001 0.000 0.822 291 A HN 0.272 nan 8.150 nan 0.000 0.443 292 N N 0.259 118.971 118.700 0.021 0.000 2.188 292 N HA -0.054 4.684 4.740 -0.003 0.000 0.184 292 N C 1.871 177.410 175.510 0.048 0.000 1.018 292 N CA 1.452 54.521 53.050 0.033 0.000 0.858 292 N CB -0.569 37.938 38.487 0.033 0.000 0.989 292 N HN 0.465 nan 8.380 nan 0.000 0.426 293 A N 1.500 124.359 122.820 0.066 0.000 1.902 293 A HA -0.106 4.212 4.320 -0.003 0.000 0.217 293 A C 2.260 179.879 177.584 0.060 0.000 1.181 293 A CA 1.147 53.231 52.037 0.077 0.000 0.623 293 A CB -0.387 18.680 19.000 0.111 0.000 0.818 293 A HN 0.220 nan 8.150 nan 0.000 0.443 294 R N -0.604 119.930 120.500 0.056 0.000 2.081 294 R HA -0.070 4.268 4.340 -0.003 0.000 0.235 294 R C 2.507 178.827 176.300 0.034 0.000 1.131 294 R CA 1.181 57.308 56.100 0.045 0.000 0.960 294 R CB -0.484 29.845 30.300 0.049 0.000 0.856 294 R HN 0.513 nan 8.270 nan 0.000 0.436 295 A N 1.250 124.089 122.820 0.033 0.000 1.908 295 A HA -0.140 4.178 4.320 -0.003 0.000 0.218 295 A C 2.344 179.942 177.584 0.024 0.000 1.181 295 A CA 1.813 53.866 52.037 0.026 0.000 0.627 295 A CB -0.597 18.418 19.000 0.024 0.000 0.818 295 A HN 0.412 nan 8.150 nan 0.000 0.445 296 A N -0.429 122.408 122.820 0.028 0.000 1.968 296 A HA 0.284 4.602 4.320 -0.003 0.000 0.217 296 A C 2.434 180.031 177.584 0.021 0.000 1.169 296 A CA 1.651 53.703 52.037 0.025 0.000 0.638 296 A CB -0.846 18.173 19.000 0.033 0.000 0.812 296 A HN 1.027 nan 8.150 nan 0.000 0.446 297 A N -0.102 122.732 122.820 0.022 0.000 1.972 297 A HA -0.141 4.177 4.320 -0.003 0.000 0.219 297 A C 1.802 179.387 177.584 0.002 0.000 1.169 297 A CA 1.598 53.643 52.037 0.012 0.000 0.635 297 A CB -0.379 18.628 19.000 0.011 0.000 0.810 297 A HN 0.436 nan 8.150 nan 0.000 0.446 298 E N 0.153 120.357 120.200 0.006 0.000 2.265 298 E HA -0.132 4.216 4.350 -0.003 0.000 0.196 298 E C 1.195 177.796 176.600 0.002 0.000 0.996 298 E CA 0.836 57.238 56.400 0.003 0.000 0.832 298 E CB -0.097 29.610 29.700 0.010 0.000 0.756 298 E HN 0.464 nan 8.360 nan 0.000 0.491 299 K N 0.333 120.736 120.400 0.004 0.000 2.367 299 K HA 0.138 4.456 4.320 -0.003 0.000 0.194 299 K C 0.398 176.998 176.600 0.000 0.000 1.027 299 K CA -0.071 56.218 56.287 0.003 0.000 1.075 299 K CB 0.612 33.116 32.500 0.006 0.000 0.845 299 K HN -0.062 nan 8.250 nan 0.000 0.529 300 V N 2.836 122.749 119.914 -0.001 0.000 2.521 300 V HA 0.031 4.149 4.120 -0.003 0.000 0.286 300 V C 0.383 176.471 176.094 -0.010 0.000 1.034 300 V CA -0.002 62.295 62.300 -0.004 0.000 1.045 300 V CB 0.399 32.220 31.823 -0.004 0.000 0.974 300 V HN 0.053 nan 8.190 nan 0.000 0.480 301 K N 4.096 124.491 120.400 -0.008 0.000 2.240 301 K HA 0.580 4.898 4.320 -0.003 0.000 0.271 301 K C -1.030 175.562 176.600 -0.013 0.000 1.018 301 K CA -0.503 55.777 56.287 -0.011 0.000 0.874 301 K CB 1.850 34.345 32.500 -0.008 0.000 1.098 301 K HN 0.465 nan 8.250 nan 0.000 0.458 302 V N 2.695 122.597 119.914 -0.021 0.000 2.398 302 V HA 0.099 4.217 4.120 -0.003 0.000 0.286 302 V C -0.398 175.681 176.094 -0.025 0.000 1.026 302 V CA -0.758 61.529 62.300 -0.023 0.000 0.868 302 V CB 1.438 33.241 31.823 -0.035 0.000 0.982 302 V HN 0.672 nan 8.190 nan 0.000 0.443 303 D N 5.304 125.692 120.400 -0.021 0.000 2.317 303 D HA 0.583 5.221 4.640 -0.003 0.000 0.234 303 D C -0.782 175.498 176.300 -0.033 0.000 1.112 303 D CA -0.167 53.819 54.000 -0.024 0.000 0.840 303 D CB 1.002 41.792 40.800 -0.017 0.000 1.078 303 D HN 0.397 nan 8.370 nan 0.000 0.486 304 L N 0.956 122.155 121.223 -0.040 0.000 2.424 304 L HA 0.633 4.971 4.340 -0.003 0.000 0.258 304 L C -0.488 176.348 176.870 -0.057 0.000 0.995 304 L CA -0.963 53.844 54.840 -0.055 0.000 0.821 304 L CB 1.522 43.542 42.059 -0.066 0.000 1.383 304 L HN 0.217 nan 8.230 nan 0.000 0.410 305 E N 1.321 121.478 120.200 -0.072 0.000 2.035 305 E HA 0.185 4.533 4.350 -0.003 0.000 0.271 305 E C -0.762 175.778 176.600 -0.100 0.000 0.953 305 E CA -0.370 55.984 56.400 -0.075 0.000 0.777 305 E CB 0.789 30.444 29.700 -0.076 0.000 1.104 305 E HN 0.799 nan 8.360 nan 0.000 0.408 306 E N 4.572 124.722 120.200 -0.082 0.000 2.414 306 E HA 0.095 4.443 4.350 -0.003 0.000 0.263 306 E C -0.770 175.756 176.600 -0.123 0.000 1.000 306 E CA -0.029 56.318 56.400 -0.090 0.000 0.914 306 E CB 0.641 30.309 29.700 -0.052 0.000 0.948 306 E HN 0.522 nan 8.360 nan 0.000 0.444 307 L N 5.227 126.340 121.223 -0.183 0.000 2.319 307 L HA 0.469 4.807 4.340 -0.003 0.000 0.267 307 L C -2.163 174.628 176.870 -0.131 0.000 1.011 307 L CA -2.605 52.093 54.840 -0.236 0.000 0.818 307 L CB 1.644 43.364 42.059 -0.565 0.000 1.316 307 L HN 0.512 nan 8.230 nan 0.000 0.432 308 P HA 0.090 nan 4.420 nan 0.000 0.264 308 P C -1.086 176.140 177.300 -0.123 0.000 1.193 308 P CA 0.011 63.030 63.100 -0.135 0.000 0.763 308 P CB 0.670 32.260 31.700 -0.182 0.000 0.810 309 A N 3.431 126.161 122.820 -0.151 0.000 2.325 309 A HA 0.577 4.895 4.320 -0.003 0.000 0.333 309 A C -1.272 176.143 177.584 -0.282 0.000 1.155 309 A CA -0.458 51.514 52.037 -0.109 0.000 0.814 309 A CB 0.491 19.497 19.000 0.009 0.000 1.206 309 A HN 0.439 nan 8.150 nan 0.000 0.482 310 Y N 2.234 122.563 120.300 0.050 0.000 2.434 310 Y HA 0.305 4.853 4.550 -0.003 0.000 0.341 310 Y C 0.789 176.736 175.900 0.078 0.000 0.965 310 Y CA -0.691 57.444 58.100 0.058 0.000 1.205 310 Y CB 1.455 39.945 38.460 0.051 0.000 1.121 310 Y HN 0.544 nan 8.280 nan 0.000 0.507 311 M N 1.823 121.548 119.600 0.209 0.000 2.419 311 M HA 0.198 4.676 4.480 -0.003 0.000 0.252 311 M C -0.138 176.337 176.300 0.291 0.000 1.143 311 M CA 0.104 55.535 55.300 0.219 0.000 0.985 311 M CB -0.870 31.806 32.600 0.127 0.000 1.489 311 M HN 0.575 nan 8.290 nan 0.000 0.484 312 S N -2.437 113.409 115.700 0.244 0.000 2.596 312 S HA 0.696 5.164 4.470 -0.003 0.000 0.270 312 S C 0.801 175.509 174.600 0.181 0.000 1.155 312 S CA -0.308 58.020 58.200 0.212 0.000 0.827 312 S CB 1.168 64.465 63.200 0.161 0.000 1.130 312 S HN 0.228 nan 8.310 nan 0.000 0.467 313 G N 0.996 109.896 108.800 0.167 0.000 2.459 313 G HA2 -0.023 3.935 3.960 -0.003 0.000 0.217 313 G HA3 -0.023 3.935 3.960 -0.003 0.000 0.217 313 G C -1.109 173.834 174.900 0.072 0.000 1.183 313 G CA 1.138 46.308 45.100 0.117 0.000 0.776 313 G HN 0.625 nan 8.290 nan 0.000 0.552 314 P HA -0.025 nan 4.420 nan 0.000 0.216 314 P C 2.184 179.511 177.300 0.045 0.000 1.150 314 P CA 1.896 65.024 63.100 0.048 0.000 0.837 314 P CB -0.121 31.610 31.700 0.052 0.000 0.786 315 A N 0.061 122.936 122.820 0.091 0.000 1.902 315 A HA -0.100 4.218 4.320 -0.003 0.000 0.217 315 A C 2.292 179.894 177.584 0.031 0.000 1.181 315 A CA 2.101 54.225 52.037 0.144 0.000 0.623 315 A CB -1.576 17.576 19.000 0.253 0.000 0.818 315 A HN 0.202 nan 8.150 nan 0.000 0.443 316 A N -0.782 122.014 122.820 -0.039 0.000 2.067 316 A HA 0.390 4.708 4.320 -0.003 0.000 0.217 316 A C 2.107 179.536 177.584 -0.258 0.000 1.156 316 A CA 1.404 53.249 52.037 -0.320 0.000 0.683 316 A CB -0.529 18.413 19.000 -0.096 0.000 0.808 316 A HN 1.018 nan 8.150 nan 0.000 0.455 317 A N -0.779 121.968 122.820 -0.121 0.000 2.275 317 A HA 0.641 4.959 4.320 -0.003 0.000 0.212 317 A C 1.186 178.718 177.584 -0.086 0.000 1.201 317 A CA 0.572 52.552 52.037 -0.096 0.000 0.843 317 A CB -0.662 18.298 19.000 -0.067 0.000 0.873 317 A HN 0.760 nan 8.150 nan 0.000 0.492 318 A N -0.377 122.386 122.820 -0.095 0.000 2.304 318 A HA 0.413 4.731 4.320 -0.003 0.000 0.271 318 A C 1.086 178.640 177.584 -0.049 0.000 1.091 318 A CA 0.261 52.269 52.037 -0.048 0.000 0.812 318 A CB 0.269 19.267 19.000 -0.002 0.000 1.056 318 A HN 0.492 nan 8.150 nan 0.000 0.489 319 E N -0.080 120.110 120.200 -0.017 0.000 2.049 319 E HA -0.238 4.110 4.350 -0.003 0.000 0.198 319 E C 0.166 176.769 176.600 0.005 0.000 1.007 319 E CA 1.890 58.286 56.400 -0.008 0.000 0.809 319 E CB -0.036 29.666 29.700 0.003 0.000 0.749 319 E HN 0.698 nan 8.360 nan 0.000 0.450 320 D N -0.079 120.340 120.400 0.031 0.000 2.319 320 D HA 0.120 4.758 4.640 -0.003 0.000 0.230 320 D C -0.563 175.798 176.300 0.102 0.000 1.094 320 D CA 0.279 54.316 54.000 0.063 0.000 0.856 320 D CB 0.250 41.097 40.800 0.078 0.000 0.915 320 D HN 0.176 nan 8.370 nan 0.000 0.517 321 A N 1.238 124.069 122.820 0.017 0.000 2.451 321 A HA 0.191 4.509 4.320 -0.003 0.000 0.266 321 A C 0.453 178.043 177.584 0.009 0.000 1.119 321 A CA -0.328 51.647 52.037 -0.103 0.000 0.786 321 A CB 0.072 18.676 19.000 -0.661 0.000 1.061 321 A HN 0.004 nan 8.150 nan 0.000 0.503 322 I N 2.115 122.834 120.570 0.249 0.000 2.634 322 I HA 0.027 4.195 4.170 -0.003 0.000 0.284 322 I C 0.921 177.149 176.117 0.185 0.000 1.124 322 I CA 0.042 61.471 61.300 0.215 0.000 1.417 322 I CB -0.087 38.068 38.000 0.258 0.000 1.396 322 I HN 0.697 nan 8.210 nan 0.000 0.571 323 E N 5.320 125.602 120.200 0.136 0.000 2.498 323 E HA -0.024 4.324 4.350 -0.003 0.000 0.252 323 E C 1.064 177.780 176.600 0.194 0.000 1.025 323 E CA 0.037 56.519 56.400 0.137 0.000 0.938 323 E CB 0.643 30.422 29.700 0.131 0.000 0.947 323 E HN 0.436 nan 8.360 nan 0.000 0.478 324 I N 2.494 123.162 120.570 0.163 0.000 2.226 324 I HA -0.214 3.954 4.170 -0.003 0.000 0.245 324 I C 0.871 177.030 176.117 0.069 0.000 1.100 324 I CA 0.962 62.335 61.300 0.122 0.000 1.374 324 I CB -0.054 37.912 38.000 -0.056 0.000 1.057 324 I HN 0.486 nan 8.210 nan 0.000 0.413 325 H N 1.403 120.612 119.070 0.232 0.000 2.690 325 H HA 0.301 4.855 4.556 -0.004 0.000 0.280 325 H C -2.269 173.155 175.328 0.159 0.000 1.138 325 H CA -2.477 53.690 56.048 0.197 0.000 1.241 325 H CB 0.176 29.973 29.762 0.058 0.000 1.394 325 H HN -0.038 nan 8.280 nan 0.000 0.489 326 P HA -0.001 nan 4.420 nan 0.000 0.261 326 P C 1.132 178.522 177.300 0.149 0.000 1.183 326 P CA 1.119 64.324 63.100 0.174 0.000 0.761 326 P CB 0.629 32.418 31.700 0.148 0.000 0.785 327 G N 1.736 110.607 108.800 0.118 0.000 2.213 327 G HA2 -0.170 3.788 3.960 -0.003 0.000 0.236 327 G HA3 -0.170 3.788 3.960 -0.003 0.000 0.236 327 G C 0.074 175.031 174.900 0.095 0.000 0.991 327 G CA -0.006 45.150 45.100 0.094 0.000 0.629 327 G HN 0.619 nan 8.290 nan 0.000 0.517 328 T N 2.801 117.428 114.554 0.121 0.000 2.848 328 T HA 0.617 4.965 4.350 -0.003 0.000 0.285 328 T C -2.859 171.924 174.700 0.138 0.000 0.995 328 T CA -1.043 61.128 62.100 0.119 0.000 0.970 328 T CB 3.067 71.998 68.868 0.105 0.000 0.976 328 T HN 0.061 nan 8.240 nan 0.000 0.441 329 P HA 0.230 nan 4.420 nan 0.000 0.271 329 P C 0.612 178.005 177.300 0.155 0.000 1.218 329 P CA -0.349 62.816 63.100 0.108 0.000 0.780 329 P CB 0.631 32.379 31.700 0.080 0.000 0.901 330 N N 0.467 119.228 118.700 0.103 0.000 2.104 330 N HA -0.073 4.664 4.740 -0.003 0.000 0.190 330 N C 0.207 175.786 175.510 0.116 0.000 1.024 330 N CA 0.990 54.113 53.050 0.121 0.000 0.853 330 N CB -0.640 37.842 38.487 -0.008 0.000 1.008 330 N HN 0.195 nan 8.380 nan 0.000 0.424 331 V N 3.201 123.124 119.914 0.015 0.000 2.381 331 V HA -0.019 4.099 4.120 -0.003 0.000 0.257 331 V C 0.380 176.475 176.094 0.001 0.000 1.057 331 V CA -0.081 62.173 62.300 -0.076 0.000 1.013 331 V CB -0.720 31.041 31.823 -0.104 0.000 1.069 331 V HN 0.339 nan 8.190 nan 0.000 0.484 332 Y N 3.249 123.573 120.300 0.040 0.000 2.467 332 Y HA 0.617 5.165 4.550 -0.003 0.000 0.250 332 Y C -0.124 175.863 175.900 0.145 0.000 1.155 332 Y CA -1.345 56.798 58.100 0.071 0.000 1.249 332 Y CB 0.138 38.639 38.460 0.067 0.000 1.146 332 Y HN 0.380 nan 8.280 nan 0.000 0.524 333 F N 2.235 122.084 119.950 -0.168 0.000 2.628 333 F HA 0.507 5.032 4.527 -0.003 0.000 0.309 333 F C -1.717 173.962 175.800 -0.201 0.000 1.108 333 F CA -1.412 56.523 58.000 -0.109 0.000 0.971 333 F CB 1.601 40.552 39.000 -0.082 0.000 1.279 333 F HN 0.158 nan 8.300 nan 0.000 0.441 334 E N 3.555 123.120 120.200 -1.059 0.000 2.293 334 E HA 0.515 4.863 4.350 -0.003 0.000 0.270 334 E C -1.974 173.891 176.600 -1.225 0.000 0.879 334 E CA -1.143 54.696 56.400 -0.935 0.000 0.756 334 E CB 2.531 31.915 29.700 -0.526 0.000 1.208 334 E HN 0.451 nan 8.360 nan 0.000 0.428 335 Q N 2.912 122.266 119.800 -0.743 0.000 2.320 335 Q HA 0.415 4.753 4.340 -0.003 0.000 0.268 335 Q C -2.729 173.150 176.000 -0.202 0.000 1.023 335 Q CA -2.142 53.461 55.803 -0.333 0.000 0.744 335 Q CB 1.973 30.768 28.738 0.094 0.000 1.246 335 Q HN 0.348 nan 8.270 nan 0.000 0.462 336 P HA 0.323 nan 4.420 nan 0.000 0.276 336 P C -1.138 176.214 177.300 0.086 0.000 1.244 336 P CA -0.576 62.495 63.100 -0.048 0.000 0.801 336 P CB 0.793 32.465 31.700 -0.047 0.000 1.006 337 I N 1.983 122.634 120.570 0.136 0.000 2.447 337 I HA 0.350 4.518 4.170 -0.003 0.000 0.287 337 I C -1.493 174.695 176.117 0.119 0.000 1.023 337 I CA -0.641 60.759 61.300 0.166 0.000 1.083 337 I CB 1.397 39.549 38.000 0.254 0.000 1.245 337 I HN -0.034 nan 8.210 nan 0.000 0.434 338 V N 7.844 127.813 119.914 0.091 0.000 2.385 338 V HA 0.466 4.584 4.120 -0.003 0.000 0.277 338 V C -0.356 175.780 176.094 0.070 0.000 1.012 338 V CA -0.699 61.644 62.300 0.072 0.000 0.832 338 V CB 1.043 32.896 31.823 0.049 0.000 1.028 338 V HN 0.706 nan 8.190 nan 0.000 0.436 339 K N 3.284 123.732 120.400 0.080 0.000 2.345 339 K HA 0.730 5.047 4.320 -0.003 0.000 0.255 339 K C 0.711 177.353 176.600 0.070 0.000 0.934 339 K CA 0.499 56.829 56.287 0.071 0.000 0.801 339 K CB 1.992 34.540 32.500 0.080 0.000 1.137 339 K HN 0.907 nan 8.250 nan 0.000 0.424 340 G N 2.734 111.567 108.800 0.056 0.000 2.564 340 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.273 340 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.273 340 G C -0.622 174.310 174.900 0.054 0.000 1.242 340 G CA -0.194 44.937 45.100 0.052 0.000 0.951 340 G HN 0.637 nan 8.290 nan 0.000 0.564 341 E N 1.470 121.704 120.200 0.057 0.000 2.314 341 E HA 0.355 4.703 4.350 -0.003 0.000 0.262 341 E C -0.086 176.556 176.600 0.070 0.000 1.093 341 E CA -0.602 55.831 56.400 0.055 0.000 0.908 341 E CB 0.281 30.011 29.700 0.050 0.000 1.091 341 E HN 0.455 nan 8.360 nan 0.000 0.425 342 D N 1.017 121.455 120.400 0.063 0.000 2.493 342 D HA -0.042 4.596 4.640 -0.003 0.000 0.240 342 D C 1.193 177.556 176.300 0.105 0.000 1.142 342 D CA 0.425 54.467 54.000 0.070 0.000 0.872 342 D CB 0.627 41.459 40.800 0.052 0.000 1.173 342 D HN 0.398 nan 8.370 nan 0.000 0.467 343 T N -0.971 113.662 114.554 0.133 0.000 3.043 343 T HA 0.032 4.380 4.350 -0.003 0.000 0.263 343 T C 1.947 176.810 174.700 0.273 0.000 1.094 343 T CA 0.469 62.715 62.100 0.243 0.000 1.127 343 T CB -0.168 68.876 68.868 0.293 0.000 0.905 343 T HN 0.373 nan 8.240 nan 0.000 0.490 344 G N 2.994 111.871 108.800 0.130 0.000 2.514 344 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.217 344 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.217 344 G C -0.512 174.477 174.900 0.149 0.000 1.198 344 G CA 0.870 46.030 45.100 0.100 0.000 0.780 344 G HN 0.464 nan 8.290 nan 0.000 0.565 345 P HA 0.034 nan 4.420 nan 0.000 0.218 345 P C 1.838 179.204 177.300 0.110 0.000 1.149 345 P CA 0.622 63.778 63.100 0.094 0.000 0.817 345 P CB -0.016 31.723 31.700 0.066 0.000 0.785 346 I N -2.492 118.162 120.570 0.139 0.000 2.286 346 I HA -0.202 3.966 4.170 -0.003 0.000 0.245 346 I C 1.985 178.146 176.117 0.074 0.000 1.104 346 I CA 1.255 62.610 61.300 0.092 0.000 1.397 346 I CB -0.613 37.435 38.000 0.081 0.000 1.072 346 I HN -0.157 nan 8.210 nan 0.000 0.417 347 F N 1.235 121.210 119.950 0.041 0.000 2.161 347 F HA -0.224 4.301 4.527 -0.003 0.000 0.300 347 F C 2.631 178.450 175.800 0.032 0.000 1.089 347 F CA 1.518 59.544 58.000 0.043 0.000 1.282 347 F CB -0.718 38.310 39.000 0.046 0.000 1.010 347 F HN 0.004 nan 8.300 nan 0.000 0.485 348 A N -0.607 122.337 122.820 0.207 0.000 1.933 348 A HA -0.176 4.142 4.320 -0.003 0.000 0.218 348 A C 2.152 179.780 177.584 0.073 0.000 1.175 348 A CA 2.003 54.113 52.037 0.121 0.000 0.628 348 A CB -0.970 18.085 19.000 0.091 0.000 0.814 348 A HN 0.377 nan 8.150 nan 0.000 0.444 349 S N -1.276 114.457 115.700 0.054 0.000 2.540 349 S HA 0.612 5.080 4.470 -0.003 0.000 0.218 349 S C 0.735 175.336 174.600 0.002 0.000 0.977 349 S CA 0.262 58.477 58.200 0.026 0.000 0.918 349 S CB -0.365 62.848 63.200 0.022 0.000 0.806 349 S HN 0.780 nan 8.310 nan 0.000 0.496 350 A N 1.733 124.544 122.820 -0.015 0.000 2.351 350 A HA 0.398 4.716 4.320 -0.003 0.000 0.257 350 A C 0.879 178.443 177.584 -0.033 0.000 1.087 350 A CA -0.302 51.701 52.037 -0.056 0.000 0.798 350 A CB 0.151 19.066 19.000 -0.141 0.000 1.033 350 A HN 0.230 nan 8.150 nan 0.000 0.488 351 D N -0.355 120.022 120.400 -0.038 0.000 2.144 351 D HA -0.021 4.617 4.640 -0.003 0.000 0.199 351 D C 0.444 176.734 176.300 -0.016 0.000 0.984 351 D CA 1.835 55.821 54.000 -0.023 0.000 0.834 351 D CB 0.071 40.855 40.800 -0.026 0.000 0.955 351 D HN 0.255 nan 8.370 nan 0.000 0.465 352 V N -0.317 119.579 119.914 -0.030 0.000 2.888 352 V HA 0.506 4.624 4.120 -0.003 0.000 0.309 352 V C -1.181 174.903 176.094 -0.017 0.000 1.114 352 V CA -0.373 61.921 62.300 -0.010 0.000 0.940 352 V CB 2.319 34.139 31.823 -0.005 0.000 1.021 352 V HN 0.218 nan 8.190 nan 0.000 0.426 353 T N 2.907 117.485 114.554 0.039 0.000 2.906 353 T HA 0.876 5.224 4.350 -0.003 0.000 0.295 353 T C -0.761 174.023 174.700 0.140 0.000 1.061 353 T CA -0.302 61.854 62.100 0.093 0.000 1.000 353 T CB 1.608 70.599 68.868 0.205 0.000 1.103 353 T HN 1.632 nan 8.240 nan 0.000 0.486 354 V N -0.773 119.259 119.914 0.197 0.000 3.078 354 V HA 0.986 5.104 4.120 -0.003 0.000 0.311 354 V C -1.031 175.162 176.094 0.165 0.000 1.138 354 V CA -1.186 61.213 62.300 0.164 0.000 1.007 354 V CB 1.574 33.495 31.823 0.164 0.000 1.045 354 V HN 1.404 nan 8.190 nan 0.000 0.432 355 E N 1.361 121.621 120.200 0.101 0.000 2.390 355 E HA 0.845 5.193 4.350 -0.003 0.000 0.277 355 E C -0.692 175.910 176.600 0.004 0.000 0.939 355 E CA -0.650 55.785 56.400 0.057 0.000 0.769 355 E CB 2.242 31.961 29.700 0.032 0.000 1.251 355 E HN 1.413 nan 8.360 nan 0.000 0.450 356 G N 1.151 109.937 108.800 -0.023 0.000 2.690 356 G HA2 0.415 4.373 3.960 -0.003 0.000 0.293 356 G HA3 0.415 4.373 3.960 -0.003 0.000 0.293 356 G C -1.598 173.008 174.900 -0.491 0.000 1.399 356 G CA -0.711 44.170 45.100 -0.365 0.000 0.890 356 G HN 0.489 nan 8.290 nan 0.000 0.485 357 D N 0.393 120.366 120.400 -0.712 0.000 2.256 357 D HA 0.561 5.199 4.640 -0.003 0.000 0.240 357 D C -0.902 175.105 176.300 -0.489 0.000 1.062 357 D CA 0.270 54.030 54.000 -0.400 0.000 0.832 357 D CB 1.967 42.622 40.800 -0.243 0.000 1.135 357 D HN 0.110 nan 8.370 nan 0.000 0.484 358 F N 1.234 121.325 119.950 0.234 0.000 2.593 358 F HA 0.463 4.988 4.527 -0.004 0.000 0.320 358 F C -0.583 175.460 175.800 0.406 0.000 1.060 358 F CA -1.142 57.082 58.000 0.373 0.000 0.940 358 F CB 1.760 40.980 39.000 0.365 0.000 1.268 358 F HN 0.173 nan 8.300 nan 0.000 0.475 359 Y N 0.973 121.547 120.300 0.457 0.000 2.441 359 Y HA 0.729 5.277 4.550 -0.004 0.000 0.334 359 Y C -1.991 173.961 175.900 0.087 0.000 1.061 359 Y CA -1.046 57.205 58.100 0.250 0.000 1.032 359 Y CB 1.625 40.184 38.460 0.164 0.000 1.266 359 Y HN 0.401 nan 8.280 nan 0.000 0.441 360 V N 6.102 125.660 119.914 -0.594 0.000 2.604 360 V HA 0.788 4.906 4.120 -0.003 0.000 0.305 360 V C 0.341 175.825 176.094 -1.017 0.000 1.043 360 V CA -0.061 61.807 62.300 -0.720 0.000 0.888 360 V CB 1.386 32.877 31.823 -0.553 0.000 0.995 360 V HN 1.011 nan 8.190 nan 0.000 0.429 361 G N 2.651 111.007 108.800 -0.739 0.000 2.782 361 G HA2 0.399 4.357 3.960 -0.003 0.000 0.201 361 G HA3 0.399 4.357 3.960 -0.003 0.000 0.201 361 G C -0.104 174.647 174.900 -0.248 0.000 1.374 361 G CA -0.721 44.105 45.100 -0.457 0.000 1.039 361 G HN 0.580 nan 8.290 nan 0.000 0.576 362 R N 0.702 121.153 120.500 -0.082 0.000 4.390 362 R HA 0.169 4.507 4.340 -0.003 0.000 0.229 362 R C 0.382 176.673 176.300 -0.014 0.000 1.674 362 R CA -0.139 55.946 56.100 -0.026 0.000 1.526 362 R CB -0.456 29.858 30.300 0.022 0.000 1.418 362 R HN 0.517 nan 8.270 nan 0.000 0.790 363 Q N 3.052 122.762 119.800 -0.151 0.000 2.300 363 Q HA 0.081 4.419 4.340 -0.003 0.000 0.280 363 Q C -2.104 173.939 176.000 0.072 0.000 1.033 363 Q CA -1.425 54.275 55.803 -0.172 0.000 0.903 363 Q CB 0.918 29.304 28.738 -0.586 0.000 1.195 363 Q HN 0.269 nan 8.270 nan 0.000 0.386 364 P HA 0.137 nan 4.420 nan 0.000 0.296 364 P C -0.814 176.587 177.300 0.167 0.000 1.306 364 P CA -0.261 62.919 63.100 0.134 0.000 0.818 364 P CB 1.022 32.813 31.700 0.150 0.000 0.969 365 H N 3.216 122.245 119.070 -0.068 0.000 2.352 365 H HA 0.017 4.571 4.556 -0.003 0.000 0.299 365 H C 1.028 176.325 175.328 -0.052 0.000 1.097 365 H CA 1.059 56.887 56.048 -0.367 0.000 1.311 365 H CB -0.620 28.921 29.762 -0.370 0.000 1.377 365 H HN 0.366 nan 8.280 nan 0.000 0.504 366 M N 0.225 119.931 119.600 0.178 0.000 2.253 366 M HA -0.132 4.346 4.480 -0.003 0.000 0.195 366 M C -2.453 174.075 176.300 0.381 0.000 0.512 366 M CA -0.235 55.267 55.300 0.336 0.000 0.442 366 M CB -1.230 31.654 32.600 0.473 0.000 1.189 366 M HN 0.180 nan 8.290 nan 0.000 0.923 367 P HA 0.086 nan 4.420 nan 0.000 0.272 367 P C 0.784 178.262 177.300 0.298 0.000 1.223 367 P CA -0.210 63.130 63.100 0.401 0.000 0.784 367 P CB 0.668 32.559 31.700 0.317 0.000 0.923 368 I N -0.257 120.444 120.570 0.217 0.000 2.394 368 I HA -0.065 4.103 4.170 -0.003 0.000 0.251 368 I C 1.357 177.492 176.117 0.029 0.000 1.136 368 I CA 1.226 62.613 61.300 0.145 0.000 1.425 368 I CB -1.175 36.971 38.000 0.244 0.000 1.079 368 I HN 0.502 nan 8.210 nan 0.000 0.425 369 E N 4.234 124.202 120.200 -0.387 0.000 2.130 369 E HA 0.180 4.528 4.350 -0.003 0.000 0.284 369 E C -2.266 174.205 176.600 -0.214 0.000 1.018 369 E CA -2.028 53.925 56.400 -0.745 0.000 0.817 369 E CB 1.380 30.211 29.700 -1.448 0.000 1.078 369 E HN 0.044 nan 8.360 nan 0.000 0.396 370 P HA 0.050 nan 4.420 nan 0.000 0.274 370 P C -0.424 176.820 177.300 -0.094 0.000 1.237 370 P CA -0.309 62.739 63.100 -0.086 0.000 0.793 370 P CB 0.703 32.422 31.700 0.031 0.000 0.977 371 D N -0.012 120.277 120.400 -0.185 0.000 2.472 371 D HA 0.229 4.867 4.640 -0.003 0.000 0.237 371 D C -0.445 175.700 176.300 -0.259 0.000 1.141 371 D CA 0.652 54.483 54.000 -0.281 0.000 0.875 371 D CB 0.195 40.591 40.800 -0.673 0.000 1.192 371 D HN 0.227 nan 8.370 nan 0.000 0.450 372 V N -0.361 119.449 119.914 -0.175 0.000 3.000 372 V HA 0.936 5.053 4.120 -0.003 0.000 0.300 372 V C -1.033 175.007 176.094 -0.089 0.000 1.251 372 V CA -0.648 61.609 62.300 -0.073 0.000 0.972 372 V CB 1.113 32.977 31.823 0.069 0.000 1.065 372 V HN 0.785 nan 8.190 nan 0.000 0.431 373 A N 3.272 126.019 122.820 -0.121 0.000 2.610 373 A HA 1.061 5.379 4.320 -0.003 0.000 0.291 373 A C -1.297 176.251 177.584 -0.061 0.000 1.086 373 A CA -0.356 51.615 52.037 -0.111 0.000 0.677 373 A CB 1.953 20.879 19.000 -0.122 0.000 1.278 373 A HN 2.353 nan 8.150 nan 0.000 0.414 374 F N -1.907 118.013 119.950 -0.050 0.000 2.662 374 F HA 0.974 5.499 4.527 -0.004 0.000 0.312 374 F C -0.267 175.599 175.800 0.110 0.000 1.113 374 F CA -0.702 57.311 58.000 0.022 0.000 0.951 374 F CB 1.417 40.497 39.000 0.134 0.000 1.344 374 F HN 1.346 nan 8.300 nan 0.000 0.462 375 A N 1.064 124.076 122.820 0.321 0.000 2.587 375 A HA 0.895 5.213 4.320 -0.003 0.000 0.293 375 A C -2.115 175.644 177.584 0.292 0.000 1.087 375 A CA -0.703 51.426 52.037 0.153 0.000 0.692 375 A CB 1.574 20.587 19.000 0.021 0.000 1.291 375 A HN 1.605 nan 8.150 nan 0.000 0.407 376 Y N -1.604 118.820 120.300 0.207 0.000 2.656 376 Y HA 0.755 5.303 4.550 -0.004 0.000 0.334 376 Y C -0.991 175.014 175.900 0.176 0.000 1.179 376 Y CA -1.756 56.437 58.100 0.155 0.000 1.050 376 Y CB 0.907 39.443 38.460 0.127 0.000 1.308 376 Y HN 0.428 nan 8.280 nan 0.000 0.456 377 M N 2.776 122.555 119.600 0.298 0.000 2.108 377 M HA 0.421 4.899 4.480 -0.003 0.000 0.354 377 M C 0.506 177.022 176.300 0.360 0.000 1.229 377 M CA -0.619 54.828 55.300 0.244 0.000 1.081 377 M CB 0.517 33.206 32.600 0.149 0.000 1.606 377 M HN 1.001 nan 8.290 nan 0.000 0.467 378 G N 1.436 110.483 108.800 0.413 0.000 2.634 378 G HA2 0.112 4.070 3.960 -0.003 0.000 0.255 378 G HA3 0.112 4.070 3.960 -0.003 0.000 0.255 378 G C 0.504 175.526 174.900 0.203 0.000 1.205 378 G CA -0.304 44.999 45.100 0.338 0.000 0.884 378 G HN 0.789 nan 8.290 nan 0.000 0.549 379 D N -0.627 119.849 120.400 0.127 0.000 2.264 379 D HA -0.134 4.504 4.640 -0.003 0.000 0.208 379 D C 1.774 178.135 176.300 0.101 0.000 0.966 379 D CA 1.338 55.391 54.000 0.088 0.000 0.864 379 D CB 0.058 40.887 40.800 0.049 0.000 0.933 379 D HN 0.392 nan 8.370 nan 0.000 0.499 380 D N -1.213 119.273 120.400 0.144 0.000 2.363 380 D HA 0.082 4.720 4.640 -0.003 0.000 0.226 380 D C 1.711 178.079 176.300 0.115 0.000 1.020 380 D CA 0.860 54.939 54.000 0.132 0.000 0.892 380 D CB -0.447 40.453 40.800 0.167 0.000 0.900 380 D HN 0.263 nan 8.370 nan 0.000 0.531 381 G N -0.022 108.853 108.800 0.126 0.000 2.176 381 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.253 381 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.253 381 G C 0.228 175.172 174.900 0.074 0.000 0.979 381 G CA 0.267 45.421 45.100 0.089 0.000 0.641 381 G HN 0.489 nan 8.290 nan 0.000 0.530 382 K N -0.290 120.168 120.400 0.096 0.000 2.126 382 K HA 0.515 4.833 4.320 -0.003 0.000 0.257 382 K C 0.235 176.827 176.600 -0.014 0.000 1.007 382 K CA -0.167 56.102 56.287 -0.029 0.000 0.928 382 K CB 1.531 33.919 32.500 -0.187 0.000 1.013 382 K HN 0.246 nan 8.250 nan 0.000 0.473 383 C N 3.122 122.335 119.300 -0.146 0.000 2.285 383 C HA 0.387 4.845 4.460 -0.003 0.000 0.335 383 C C -0.904 173.889 174.990 -0.328 0.000 1.267 383 C CA -0.580 58.358 59.018 -0.133 0.000 1.762 383 C CB -1.274 26.398 27.740 -0.113 0.000 2.365 383 C HN 0.573 nan 8.230 nan 0.000 0.527 384 Y N 5.576 125.628 120.300 -0.412 0.000 2.341 384 Y HA 0.666 5.214 4.550 -0.004 0.000 0.337 384 Y C 0.508 176.117 175.900 -0.486 0.000 1.014 384 Y CA -0.521 57.261 58.100 -0.530 0.000 1.111 384 Y CB 0.954 38.894 38.460 -0.865 0.000 1.194 384 Y HN 0.497 nan 8.280 nan 0.000 0.462 385 I N 4.019 124.428 120.570 -0.269 0.000 2.436 385 I HA 0.313 4.480 4.170 -0.003 0.000 0.289 385 I C -0.760 175.128 176.117 -0.382 0.000 1.010 385 I CA -0.650 60.503 61.300 -0.245 0.000 1.098 385 I CB 1.399 39.266 38.000 -0.221 0.000 1.266 385 I HN 0.565 nan 8.210 nan 0.000 0.434 386 H N 4.740 123.493 119.070 -0.528 0.000 2.587 386 H HA 0.552 5.106 4.556 -0.004 0.000 0.325 386 H C -0.545 174.452 175.328 -0.552 0.000 1.012 386 H CA -0.417 55.264 56.048 -0.611 0.000 1.213 386 H CB 2.034 31.170 29.762 -1.043 0.000 1.431 386 H HN 0.731 nan 8.280 nan 0.000 0.492 387 S N 1.960 117.524 115.700 -0.226 0.000 2.819 387 S HA 0.296 4.764 4.470 -0.003 0.000 0.299 387 S C 0.103 174.635 174.600 -0.113 0.000 1.192 387 S CA -1.078 57.023 58.200 -0.165 0.000 0.847 387 S CB 2.002 65.102 63.200 -0.166 0.000 1.224 387 S HN 0.515 nan 8.310 nan 0.000 0.537 388 K N 1.133 121.456 120.400 -0.128 0.000 2.504 388 K HA 0.237 4.555 4.320 -0.003 0.000 0.199 388 K C 0.423 176.898 176.600 -0.208 0.000 1.028 388 K CA 0.027 56.222 56.287 -0.153 0.000 1.164 388 K CB 0.137 32.524 32.500 -0.188 0.000 0.877 388 K HN 0.507 nan 8.250 nan 0.000 0.508 389 S N 1.543 117.159 115.700 -0.140 0.000 2.563 389 S HA -0.015 4.453 4.470 -0.003 0.000 0.294 389 S C 0.805 175.289 174.600 -0.193 0.000 1.279 389 S CA -0.488 57.667 58.200 -0.076 0.000 1.069 389 S CB 0.208 63.439 63.200 0.051 0.000 0.828 389 S HN 0.332 nan 8.310 nan 0.000 0.497 390 I N 2.631 123.032 120.570 -0.280 0.000 3.914 390 I HA 0.557 4.724 4.170 -0.003 0.000 0.333 390 I C 0.769 176.690 176.117 -0.327 0.000 1.449 390 I CA -0.363 60.727 61.300 -0.350 0.000 1.135 390 I CB 0.444 38.054 38.000 -0.651 0.000 1.073 390 I HN 0.555 nan 8.210 nan 0.000 0.401 391 G N 0.581 109.092 108.800 -0.481 0.000 3.582 391 G HA2 0.425 4.383 3.960 -0.003 0.000 0.302 391 G HA3 0.425 4.383 3.960 -0.003 0.000 0.302 391 G C 0.480 175.057 174.900 -0.538 0.000 1.418 391 G CA 0.103 44.870 45.100 -0.556 0.000 0.718 391 G HN 0.170 nan 8.290 nan 0.000 0.479 392 V N -0.945 118.810 119.914 -0.265 0.000 2.427 392 V HA -0.108 4.010 4.120 -0.003 0.000 0.248 392 V C 2.086 178.038 176.094 -0.236 0.000 1.051 392 V CA 2.049 64.205 62.300 -0.241 0.000 1.048 392 V CB -0.954 30.730 31.823 -0.232 0.000 0.666 392 V HN 0.489 nan 8.190 nan 0.000 0.456 393 H N 0.187 119.186 119.070 -0.118 0.000 2.357 393 H HA 0.011 4.565 4.556 -0.003 0.000 0.301 393 H C 2.021 177.381 175.328 0.053 0.000 1.082 393 H CA 1.904 57.949 56.048 -0.005 0.000 1.342 393 H CB -0.303 29.478 29.762 0.031 0.000 1.389 393 H HN 0.425 nan 8.280 nan 0.000 0.511 394 L N 0.405 121.639 121.223 0.019 0.000 2.012 394 L HA -0.227 4.111 4.340 -0.003 0.000 0.210 394 L C 1.784 178.689 176.870 0.059 0.000 1.073 394 L CA 1.967 56.790 54.840 -0.028 0.000 0.748 394 L CB -0.685 41.186 42.059 -0.313 0.000 0.891 394 L HN 0.384 nan 8.230 nan 0.000 0.431 395 H N -1.727 117.304 119.070 -0.065 0.000 2.423 395 H HA -0.125 4.430 4.556 -0.003 0.000 0.297 395 H C 2.056 177.320 175.328 -0.106 0.000 1.075 395 H CA 0.860 56.855 56.048 -0.089 0.000 1.342 395 H CB 0.034 29.715 29.762 -0.135 0.000 1.395 395 H HN 0.375 nan 8.280 nan 0.000 0.530 396 L N 0.612 121.815 121.223 -0.035 0.000 2.013 396 L HA -0.257 4.081 4.340 -0.003 0.000 0.212 396 L C 1.594 178.317 176.870 -0.246 0.000 1.073 396 L CA 1.747 56.461 54.840 -0.210 0.000 0.753 396 L CB -0.809 41.039 42.059 -0.351 0.000 0.890 396 L HN 0.194 nan 8.230 nan 0.000 0.432 397 Y N -1.133 119.162 120.300 -0.008 0.000 2.373 397 Y HA -0.070 4.478 4.550 -0.003 0.000 0.293 397 Y C 2.456 178.342 175.900 -0.024 0.000 1.129 397 Y CA 1.244 59.342 58.100 -0.003 0.000 1.226 397 Y CB -0.465 37.999 38.460 0.008 0.000 1.000 397 Y HN 0.184 nan 8.280 nan 0.000 0.549 398 M N -0.440 119.218 119.600 0.097 0.000 2.229 398 M HA -0.098 4.380 4.480 -0.003 0.000 0.264 398 M C 1.876 178.141 176.300 -0.058 0.000 1.063 398 M CA 1.626 56.920 55.300 -0.010 0.000 1.114 398 M CB -0.179 32.435 32.600 0.023 0.000 1.387 398 M HN 0.429 nan 8.290 nan 0.000 0.420 399 I N -4.071 116.474 120.570 -0.042 0.000 4.035 399 I HA 0.302 4.470 4.170 -0.003 0.000 0.321 399 I C 2.212 178.311 176.117 -0.030 0.000 1.289 399 I CA 0.345 61.614 61.300 -0.051 0.000 1.236 399 I CB -0.333 37.619 38.000 -0.080 0.000 1.076 399 I HN -0.020 nan 8.210 nan 0.000 0.418 400 A N 2.767 125.558 122.820 -0.047 0.000 1.883 400 A HA -0.015 4.303 4.320 -0.003 0.000 0.217 400 A C 0.165 177.760 177.584 0.019 0.000 1.186 400 A CA 1.943 53.948 52.037 -0.053 0.000 0.624 400 A CB -1.987 16.940 19.000 -0.121 0.000 0.822 400 A HN 0.395 nan 8.150 nan 0.000 0.444 401 P HA -0.070 nan 4.420 nan 0.000 0.217 401 P C 1.679 179.053 177.300 0.124 0.000 1.150 401 P CA 1.660 64.848 63.100 0.146 0.000 0.832 401 P CB -0.334 31.568 31.700 0.337 0.000 0.787 402 G N 0.106 108.990 108.800 0.141 0.000 2.402 402 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.216 402 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.216 402 G C 1.493 176.419 174.900 0.044 0.000 1.162 402 G CA 1.075 46.237 45.100 0.103 0.000 0.777 402 G HN 0.353 nan 8.290 nan 0.000 0.539 403 V N -2.123 117.802 119.914 0.018 0.000 3.306 403 V HA 0.485 4.603 4.120 -0.003 0.000 0.264 403 V C 1.625 177.719 176.094 -0.001 0.000 1.149 403 V CA 0.816 63.117 62.300 0.001 0.000 1.143 403 V CB -0.580 31.229 31.823 -0.023 0.000 0.767 403 V HN 1.257 nan 8.190 nan 0.000 0.476 404 G N 0.416 109.219 108.800 0.004 0.000 2.165 404 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.226 404 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.226 404 G C -0.405 174.489 174.900 -0.011 0.000 1.035 404 G CA 0.262 45.362 45.100 0.000 0.000 0.744 404 G HN 0.601 nan 8.290 nan 0.000 0.501 405 L N -0.034 121.176 121.223 -0.022 0.000 2.362 405 L HA 0.571 4.909 4.340 -0.003 0.000 0.271 405 L C 0.281 177.127 176.870 -0.041 0.000 1.002 405 L CA -1.302 53.514 54.840 -0.040 0.000 0.818 405 L CB 1.533 43.550 42.059 -0.069 0.000 1.298 405 L HN 0.002 nan 8.230 nan 0.000 0.420 406 E N 2.168 122.346 120.200 -0.037 0.000 2.390 406 E HA 0.097 4.445 4.350 -0.003 0.000 0.261 406 E C -1.734 174.819 176.600 -0.079 0.000 1.076 406 E CA -1.622 54.759 56.400 -0.032 0.000 0.905 406 E CB 0.732 30.423 29.700 -0.014 0.000 0.984 406 E HN 0.314 nan 8.360 nan 0.000 0.427 407 P HA -0.164 nan 4.420 nan 0.000 0.218 407 P C 0.749 177.951 177.300 -0.164 0.000 1.148 407 P CA 1.319 64.295 63.100 -0.207 0.000 0.822 407 P CB 0.164 31.762 31.700 -0.169 0.000 0.784 408 D N -1.564 118.786 120.400 -0.083 0.000 2.363 408 D HA -0.108 4.530 4.640 -0.003 0.000 0.220 408 D C 1.190 177.430 176.300 -0.100 0.000 0.994 408 D CA 0.715 54.672 54.000 -0.071 0.000 0.890 408 D CB -0.459 40.328 40.800 -0.022 0.000 0.906 408 D HN 0.145 nan 8.370 nan 0.000 0.530 409 Q N -0.053 119.679 119.800 -0.114 0.000 2.247 409 Q HA 0.253 4.591 4.340 -0.003 0.000 0.204 409 Q C -0.177 175.712 176.000 -0.185 0.000 0.872 409 Q CA -0.230 55.502 55.803 -0.119 0.000 0.951 409 Q CB 0.949 29.643 28.738 -0.073 0.000 1.099 409 Q HN 0.283 nan 8.270 nan 0.000 0.501 410 L N -0.067 121.012 121.223 -0.239 0.000 2.408 410 L HA 0.550 4.888 4.340 -0.003 0.000 0.268 410 L C -1.350 175.289 176.870 -0.386 0.000 0.986 410 L CA -0.909 53.750 54.840 -0.303 0.000 0.820 410 L CB 2.303 44.213 42.059 -0.248 0.000 1.303 410 L HN -0.271 nan 8.230 nan 0.000 0.411 411 V N 5.547 125.151 119.914 -0.517 0.000 2.531 411 V HA 0.537 4.655 4.120 -0.003 0.000 0.301 411 V C -0.733 175.109 176.094 -0.419 0.000 1.034 411 V CA -0.516 61.477 62.300 -0.511 0.000 0.865 411 V CB 1.697 33.052 31.823 -0.780 0.000 0.995 411 V HN 0.563 nan 8.190 nan 0.000 0.424 412 L N 5.346 126.359 121.223 -0.350 0.000 2.317 412 L HA 0.754 5.092 4.340 -0.003 0.000 0.281 412 L C -0.312 176.368 176.870 -0.317 0.000 1.024 412 L CA -0.160 54.485 54.840 -0.324 0.000 0.810 412 L CB 2.013 43.915 42.059 -0.260 0.000 1.240 412 L HN 0.436 nan 8.230 nan 0.000 0.427 413 V N 1.849 121.536 119.914 -0.377 0.000 2.709 413 V HA 0.757 4.875 4.120 -0.003 0.000 0.308 413 V C -0.200 175.775 176.094 -0.198 0.000 1.062 413 V CA -1.007 61.109 62.300 -0.307 0.000 0.901 413 V CB 1.910 33.400 31.823 -0.555 0.000 1.003 413 V HN 0.805 nan 8.190 nan 0.000 0.425 414 A N 3.638 126.427 122.820 -0.051 0.000 2.269 414 A HA 0.548 4.866 4.320 -0.003 0.000 0.302 414 A C 0.204 177.825 177.584 0.063 0.000 1.266 414 A CA -0.431 51.610 52.037 0.007 0.000 0.894 414 A CB -0.201 18.836 19.000 0.061 0.000 1.147 414 A HN 0.795 nan 8.150 nan 0.000 0.537 415 N N 2.351 121.058 118.700 0.012 0.000 2.415 415 N HA 0.244 4.982 4.740 -0.003 0.000 0.248 415 N C -2.617 172.894 175.510 0.001 0.000 1.271 415 N CA -1.152 51.893 53.050 -0.009 0.000 0.913 415 N CB -0.033 38.489 38.487 0.058 0.000 1.129 415 N HN 0.346 nan 8.380 nan 0.000 0.444 416 P HA 0.028 nan 4.420 nan 0.000 0.265 416 P C -0.397 177.004 177.300 0.169 0.000 1.187 416 P CA 0.513 63.578 63.100 -0.059 0.000 0.766 416 P CB 0.346 31.790 31.700 -0.427 0.000 0.820 417 M N 0.092 119.896 119.600 0.340 0.000 2.484 417 M HA 0.627 5.105 4.480 -0.003 0.000 0.289 417 M C -0.002 176.510 176.300 0.352 0.000 1.206 417 M CA -0.702 54.810 55.300 0.353 0.000 0.892 417 M CB 2.278 34.941 32.600 0.105 0.000 1.712 417 M HN 0.280 nan 8.290 nan 0.000 0.462 418 G N 1.336 110.178 108.800 0.070 0.000 3.741 418 G HA2 0.552 4.510 3.960 -0.003 0.000 0.263 418 G HA3 0.552 4.510 3.960 -0.003 0.000 0.263 418 G C 0.439 175.318 174.900 -0.035 0.000 1.175 418 G CA 0.054 45.092 45.100 -0.104 0.000 1.642 418 G HN 1.459 nan 8.290 nan 0.000 0.644 419 G N -0.541 108.251 108.800 -0.013 0.000 2.719 419 G HA2 0.191 4.149 3.960 -0.003 0.000 0.686 419 G HA3 0.191 4.149 3.960 -0.003 0.000 0.686 419 G C 0.349 175.163 174.900 -0.143 0.000 1.201 419 G CA 0.233 45.229 45.100 -0.174 0.000 0.768 419 G HN 1.377 nan 8.290 nan 0.000 0.629 420 T N -1.956 112.367 114.554 -0.386 0.000 3.236 420 T HA 0.368 4.716 4.350 -0.003 0.000 0.265 420 T C 1.338 176.062 174.700 0.040 0.000 0.912 420 T CA 1.155 63.210 62.100 -0.075 0.000 0.946 420 T CB -0.001 68.650 68.868 -0.360 0.000 1.241 420 T HN 2.008 nan 8.240 nan 0.000 0.513 421 F N 2.004 122.012 119.950 0.097 0.000 3.084 421 F HA -0.022 4.503 4.527 -0.004 0.000 0.286 421 F C 1.603 177.414 175.800 0.019 0.000 0.855 421 F CA 1.121 59.101 58.000 -0.033 0.000 1.091 421 F CB -2.107 36.816 39.000 -0.129 0.000 1.177 421 F HN 0.900 nan 8.300 nan 0.000 0.542 422 G N -1.330 107.546 108.800 0.127 0.000 2.253 422 G HA2 -0.384 3.574 3.960 -0.003 0.000 0.209 422 G HA3 -0.384 3.574 3.960 -0.003 0.000 0.209 422 G C 0.634 175.534 174.900 0.001 0.000 0.997 422 G CA 0.105 45.291 45.100 0.144 0.000 0.640 422 G HN 0.951 nan 8.290 nan 0.000 0.496 423 Y N 1.440 121.447 120.300 -0.489 0.000 2.403 423 Y HA 0.310 4.858 4.550 -0.004 0.000 0.291 423 Y C 1.913 177.683 175.900 -0.217 0.000 1.143 423 Y CA 1.586 59.280 58.100 -0.677 0.000 1.257 423 Y CB 0.041 37.775 38.460 -1.210 0.000 0.984 423 Y HN 0.112 nan 8.280 nan 0.000 0.550 424 K N 0.358 120.343 120.400 -0.692 0.000 2.476 424 K HA 0.035 4.353 4.320 -0.003 0.000 0.196 424 K C 0.959 177.526 176.600 -0.055 0.000 1.025 424 K CA -0.024 55.963 56.287 -0.501 0.000 1.138 424 K CB -0.719 31.364 32.500 -0.695 0.000 0.860 424 K HN 0.457 nan 8.250 nan 0.000 0.515 425 F N 1.112 121.021 119.950 -0.068 0.000 2.407 425 F HA -0.024 4.501 4.527 -0.003 0.000 0.299 425 F C 0.529 176.535 175.800 0.343 0.000 1.097 425 F CA 0.472 58.498 58.000 0.043 0.000 1.422 425 F CB 0.472 39.424 39.000 -0.080 0.000 1.067 425 F HN -0.248 nan 8.300 nan 0.000 0.539 426 S N 0.962 116.886 115.700 0.373 0.000 2.541 426 S HA 0.334 4.802 4.470 -0.003 0.000 0.283 426 S C -2.404 172.118 174.600 -0.130 0.000 1.196 426 S CA -1.305 57.091 58.200 0.327 0.000 1.062 426 S CB 1.259 64.756 63.200 0.494 0.000 1.009 426 S HN -0.175 nan 8.310 nan 0.000 0.502 427 P HA 0.108 nan 4.420 nan 0.000 0.266 427 P C 0.460 177.705 177.300 -0.092 0.000 1.195 427 P CA 0.062 62.885 63.100 -0.461 0.000 0.768 427 P CB 0.618 32.099 31.700 -0.366 0.000 0.838 428 T N -1.832 112.669 114.554 -0.088 0.000 3.393 428 T HA 0.027 4.375 4.350 -0.003 0.000 0.231 428 T C 1.329 176.037 174.700 0.015 0.000 0.983 428 T CA 0.665 62.787 62.100 0.037 0.000 1.272 428 T CB -0.629 68.270 68.868 0.052 0.000 1.214 428 T HN 0.303 nan 8.240 nan 0.000 0.368 429 S N 0.908 116.595 115.700 -0.022 0.000 2.524 429 S HA 0.266 4.734 4.470 -0.003 0.000 0.215 429 S C 1.459 176.053 174.600 -0.010 0.000 0.986 429 S CA -0.098 58.135 58.200 0.055 0.000 0.911 429 S CB 0.027 63.247 63.200 0.033 0.000 0.805 429 S HN 0.393 nan 8.310 nan 0.000 0.501 430 E N 2.903 123.054 120.200 -0.082 0.000 2.051 430 E HA 0.046 4.394 4.350 -0.003 0.000 0.192 430 E C 2.224 178.780 176.600 -0.073 0.000 0.991 430 E CA 1.460 57.799 56.400 -0.101 0.000 0.799 430 E CB -0.572 29.041 29.700 -0.145 0.000 0.748 430 E HN 0.654 nan 8.360 nan 0.000 0.449 431 A N 0.406 123.185 122.820 -0.069 0.000 1.929 431 A HA -0.081 4.237 4.320 -0.003 0.000 0.216 431 A C 2.158 179.736 177.584 -0.010 0.000 1.176 431 A CA 0.841 52.848 52.037 -0.049 0.000 0.628 431 A CB -0.565 18.399 19.000 -0.060 0.000 0.816 431 A HN 0.162 nan 8.150 nan 0.000 0.444 432 L N 0.078 121.312 121.223 0.019 0.000 1.989 432 L HA -0.197 4.141 4.340 -0.003 0.000 0.211 432 L C 2.720 179.619 176.870 0.047 0.000 1.071 432 L CA 1.789 56.662 54.840 0.055 0.000 0.749 432 L CB -0.817 41.308 42.059 0.110 0.000 0.890 432 L HN 0.448 nan 8.230 nan 0.000 0.431 433 V N -2.781 117.156 119.914 0.038 0.000 2.427 433 V HA -0.124 3.994 4.120 -0.003 0.000 0.248 433 V C 2.589 178.694 176.094 0.019 0.000 1.051 433 V CA 1.390 63.713 62.300 0.038 0.000 1.048 433 V CB -1.199 30.646 31.823 0.037 0.000 0.666 433 V HN 0.311 nan 8.190 nan 0.000 0.456 434 A N 0.659 123.472 122.820 -0.012 0.000 1.877 434 A HA -0.104 4.214 4.320 -0.003 0.000 0.216 434 A C 2.410 179.992 177.584 -0.004 0.000 1.186 434 A CA 2.327 54.349 52.037 -0.026 0.000 0.620 434 A CB -1.007 17.960 19.000 -0.056 0.000 0.822 434 A HN 0.449 nan 8.150 nan 0.000 0.443 435 V N -0.175 119.742 119.914 0.005 0.000 2.332 435 V HA -0.271 3.847 4.120 -0.003 0.000 0.248 435 V C 3.031 179.141 176.094 0.026 0.000 1.055 435 V CA 2.062 64.371 62.300 0.016 0.000 1.038 435 V CB -1.178 30.659 31.823 0.023 0.000 0.651 435 V HN 0.634 nan 8.190 nan 0.000 0.450 436 A N -0.262 122.578 122.820 0.034 0.000 1.898 436 A HA -0.020 4.297 4.320 -0.003 0.000 0.216 436 A C 2.419 180.024 177.584 0.036 0.000 1.181 436 A CA 1.815 53.876 52.037 0.040 0.000 0.620 436 A CB -0.712 18.316 19.000 0.048 0.000 0.819 436 A HN 0.552 nan 8.150 nan 0.000 0.442 437 A N -0.401 122.442 122.820 0.039 0.000 1.902 437 A HA -0.129 4.189 4.320 -0.003 0.000 0.217 437 A C 2.261 179.870 177.584 0.042 0.000 1.181 437 A CA 1.855 53.921 52.037 0.049 0.000 0.623 437 A CB -0.546 18.491 19.000 0.061 0.000 0.818 437 A HN 0.529 nan 8.150 nan 0.000 0.443 438 M N -0.625 118.992 119.600 0.029 0.000 2.132 438 M HA -0.121 4.357 4.480 -0.003 0.000 0.263 438 M C 2.543 178.862 176.300 0.032 0.000 1.065 438 M CA 1.472 56.787 55.300 0.025 0.000 1.122 438 M CB -0.384 32.222 32.600 0.011 0.000 1.365 438 M HN 0.471 nan 8.290 nan 0.000 0.411 439 A N 0.169 123.010 122.820 0.034 0.000 1.898 439 A HA -0.148 4.170 4.320 -0.003 0.000 0.216 439 A C 2.262 179.882 177.584 0.060 0.000 1.181 439 A CA 2.175 54.237 52.037 0.041 0.000 0.620 439 A CB -1.126 17.899 19.000 0.042 0.000 0.819 439 A HN 0.587 nan 8.150 nan 0.000 0.442 440 T N -4.908 109.682 114.554 0.059 0.000 3.051 440 T HA 0.375 4.723 4.350 -0.003 0.000 0.255 440 T C 1.573 176.304 174.700 0.051 0.000 1.085 440 T CA 1.178 63.319 62.100 0.069 0.000 1.109 440 T CB -0.016 68.841 68.868 -0.019 0.000 0.921 440 T HN 1.708 nan 8.240 nan 0.000 0.488 441 G N 1.854 110.681 108.800 0.045 0.000 2.189 441 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.267 441 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.267 441 G C 0.226 175.154 174.900 0.048 0.000 0.975 441 G CA 0.166 45.297 45.100 0.051 0.000 0.644 441 G HN 0.675 nan 8.290 nan 0.000 0.537 442 R N 0.172 120.685 120.500 0.021 0.000 2.720 442 R HA 0.491 4.829 4.340 -0.003 0.000 0.272 442 R C -2.732 173.595 176.300 0.045 0.000 0.991 442 R CA -2.058 54.044 56.100 0.004 0.000 1.010 442 R CB 0.913 31.164 30.300 -0.082 0.000 1.141 442 R HN 0.028 nan 8.270 nan 0.000 0.494 443 P HA 0.007 nan 4.420 nan 0.000 0.268 443 P C -0.594 176.734 177.300 0.046 0.000 1.205 443 P CA -0.144 63.024 63.100 0.114 0.000 0.771 443 P CB 0.632 32.354 31.700 0.036 0.000 0.858 444 V N 0.295 120.277 119.914 0.113 0.000 2.876 444 V HA 0.658 4.776 4.120 -0.003 0.000 0.312 444 V C -1.095 175.099 176.094 0.166 0.000 1.085 444 V CA -0.558 61.782 62.300 0.068 0.000 0.945 444 V CB 2.382 34.243 31.823 0.063 0.000 1.017 444 V HN 0.627 nan 8.190 nan 0.000 0.428 445 H N 3.832 122.894 119.070 -0.014 0.000 2.759 445 H HA 0.726 5.279 4.556 -0.004 0.000 0.354 445 H C -2.190 173.226 175.328 0.145 0.000 1.074 445 H CA -0.628 55.471 56.048 0.087 0.000 1.226 445 H CB 2.219 31.941 29.762 -0.068 0.000 1.648 445 H HN 0.800 nan 8.280 nan 0.000 0.529 446 L N 5.730 126.901 121.223 -0.086 0.000 2.372 446 L HA 0.455 4.793 4.340 -0.003 0.000 0.274 446 L C -1.010 175.922 176.870 0.103 0.000 0.988 446 L CA -0.425 54.481 54.840 0.109 0.000 0.833 446 L CB 1.252 43.408 42.059 0.162 0.000 1.236 446 L HN 0.624 nan 8.230 nan 0.000 0.410 447 R N 3.946 124.609 120.500 0.270 0.000 2.343 447 R HA 0.432 4.770 4.340 -0.003 0.000 0.320 447 R C -1.381 175.155 176.300 0.393 0.000 0.956 447 R CA -0.637 55.645 56.100 0.303 0.000 0.836 447 R CB 0.876 31.383 30.300 0.345 0.000 1.151 447 R HN 0.513 nan 8.270 nan 0.000 0.450 448 Y N 2.694 123.055 120.300 0.102 0.000 2.346 448 Y HA 0.062 4.611 4.550 -0.003 0.000 0.330 448 Y C 0.839 176.793 175.900 0.090 0.000 1.178 448 Y CA -0.965 57.189 58.100 0.091 0.000 1.331 448 Y CB 0.518 39.008 38.460 0.050 0.000 1.253 448 Y HN 0.676 nan 8.280 nan 0.000 0.529 449 N N 0.368 119.205 118.700 0.229 0.000 2.405 449 N HA 0.003 4.741 4.740 -0.003 0.000 0.269 449 N C 0.472 176.090 175.510 0.179 0.000 1.249 449 N CA -0.364 52.807 53.050 0.202 0.000 0.974 449 N CB 0.042 38.630 38.487 0.169 0.000 1.204 449 N HN 0.597 nan 8.380 nan 0.000 0.565 450 Y N -0.852 119.522 120.300 0.124 0.000 2.293 450 Y HA -0.106 4.442 4.550 -0.003 0.000 0.291 450 Y C 1.956 177.930 175.900 0.124 0.000 1.137 450 Y CA 1.514 59.677 58.100 0.106 0.000 1.202 450 Y CB 0.073 38.583 38.460 0.083 0.000 0.990 450 Y HN 0.524 nan 8.280 nan 0.000 0.537 451 Q N -0.099 119.824 119.800 0.205 0.000 2.119 451 Q HA -0.189 4.149 4.340 -0.003 0.000 0.201 451 Q C 2.122 178.205 176.000 0.139 0.000 0.972 451 Q CA 1.782 57.699 55.803 0.191 0.000 0.847 451 Q CB -0.257 28.600 28.738 0.199 0.000 0.903 451 Q HN 0.552 nan 8.270 nan 0.000 0.433 452 Q N -0.397 119.471 119.800 0.113 0.000 2.119 452 Q HA -0.210 4.128 4.340 -0.003 0.000 0.201 452 Q C 2.035 178.129 176.000 0.157 0.000 0.972 452 Q CA 1.279 57.153 55.803 0.119 0.000 0.847 452 Q CB -0.077 28.657 28.738 -0.006 0.000 0.903 452 Q HN 0.276 nan 8.270 nan 0.000 0.433 453 Q N 0.668 120.479 119.800 0.018 0.000 2.096 453 Q HA -0.212 4.126 4.340 -0.003 0.000 0.204 453 Q C 1.947 177.753 176.000 -0.323 0.000 0.982 453 Q CA 1.634 57.299 55.803 -0.230 0.000 0.850 453 Q CB 0.048 28.405 28.738 -0.635 0.000 0.901 453 Q HN 0.270 nan 8.270 nan 0.000 0.422 454 Q N -0.196 119.442 119.800 -0.270 0.000 2.020 454 Q HA -0.097 4.241 4.340 -0.003 0.000 0.198 454 Q C 2.106 177.830 176.000 -0.460 0.000 0.974 454 Q CA 1.677 57.304 55.803 -0.294 0.000 0.829 454 Q CB -0.116 28.631 28.738 0.016 0.000 0.894 454 Q HN 0.619 nan 8.270 nan 0.000 0.433 455 Q N -1.219 118.543 119.800 -0.064 0.000 2.245 455 Q HA -0.079 4.259 4.340 -0.003 0.000 0.201 455 Q C 0.361 176.534 176.000 0.289 0.000 0.955 455 Q CA 0.678 56.571 55.803 0.151 0.000 0.870 455 Q CB 0.306 29.302 28.738 0.430 0.000 0.945 455 Q HN 0.225 nan 8.270 nan 0.000 0.461 456 Y N 0.842 121.204 120.300 0.104 0.000 2.696 456 Y HA 0.204 4.752 4.550 -0.003 0.000 0.255 456 Y C -0.645 175.469 175.900 0.357 0.000 1.103 456 Y CA -0.570 57.695 58.100 0.276 0.000 1.126 456 Y CB 0.397 38.977 38.460 0.199 0.000 1.197 456 Y HN -0.085 nan 8.280 nan 0.000 0.574 457 T N -2.650 111.887 114.554 -0.028 0.000 2.916 457 T HA 0.763 5.111 4.350 -0.003 0.000 0.292 457 T C 0.612 174.894 174.700 -0.698 0.000 1.064 457 T CA -0.488 61.433 62.100 -0.297 0.000 1.011 457 T CB 1.578 70.194 68.868 -0.420 0.000 1.152 457 T HN 0.344 nan 8.240 nan 0.000 0.510 458 G N 0.894 108.981 108.800 -1.189 0.000 2.667 458 G HA2 0.529 4.487 3.960 -0.003 0.000 0.250 458 G HA3 0.529 4.487 3.960 -0.003 0.000 0.250 458 G C -0.603 174.090 174.900 -0.346 0.000 1.212 458 G CA -0.517 43.848 45.100 -1.226 0.000 0.874 458 G HN 0.710 nan 8.290 nan 0.000 0.561 459 K N -0.533 119.762 120.400 -0.176 0.000 2.444 459 K HA 0.318 4.636 4.320 -0.003 0.000 0.252 459 K C -0.114 176.556 176.600 0.117 0.000 0.993 459 K CA -1.058 55.263 56.287 0.056 0.000 0.847 459 K CB 2.187 34.688 32.500 0.001 0.000 1.340 459 K HN 0.623 nan 8.250 nan 0.000 0.446 460 R N 0.855 121.433 120.500 0.130 0.000 2.537 460 R HA 0.047 4.385 4.340 -0.003 0.000 0.281 460 R C -0.550 175.775 176.300 0.042 0.000 0.988 460 R CA 0.486 56.629 56.100 0.071 0.000 1.077 460 R CB 0.279 30.472 30.300 -0.178 0.000 0.932 460 R HN 0.431 nan 8.270 nan 0.000 0.409 461 S N 6.876 122.650 115.700 0.124 0.000 2.499 461 S HA 0.220 4.688 4.470 -0.003 0.000 0.275 461 S C -2.263 172.467 174.600 0.216 0.000 1.257 461 S CA -1.096 57.225 58.200 0.202 0.000 1.050 461 S CB 1.437 64.866 63.200 0.381 0.000 0.937 461 S HN 0.558 nan 8.310 nan 0.000 0.490 462 P HA 0.129 nan 4.420 nan 0.000 0.268 462 P C -1.113 176.405 177.300 0.363 0.000 1.205 462 P CA -0.141 63.000 63.100 0.068 0.000 0.771 462 P CB 0.317 32.102 31.700 0.142 0.000 0.858 463 W N 2.145 123.364 121.300 -0.136 0.000 2.600 463 W HA 0.307 4.964 4.660 -0.004 0.000 0.325 463 W C 0.058 176.650 176.519 0.121 0.000 1.034 463 W CA -0.455 56.921 57.345 0.051 0.000 1.226 463 W CB 0.730 30.238 29.460 0.079 0.000 1.379 463 W HN 0.229 nan 8.180 nan 0.000 0.466 464 E N 3.939 124.403 120.200 0.440 0.000 2.200 464 E HA 0.481 4.829 4.350 -0.003 0.000 0.283 464 E C -0.439 176.392 176.600 0.386 0.000 1.015 464 E CA -0.345 56.310 56.400 0.425 0.000 0.819 464 E CB 1.417 31.300 29.700 0.306 0.000 1.081 464 E HN 0.415 nan 8.360 nan 0.000 0.397 465 M N 2.450 122.294 119.600 0.407 0.000 2.446 465 M HA 0.305 4.783 4.480 -0.003 0.000 0.294 465 M C -0.407 176.104 176.300 0.352 0.000 1.158 465 M CA -0.461 55.093 55.300 0.424 0.000 0.899 465 M CB 2.564 35.463 32.600 0.498 0.000 1.687 465 M HN 0.240 nan 8.290 nan 0.000 0.455 466 N N 2.019 120.891 118.700 0.286 0.000 2.399 466 N HA 0.703 5.441 4.740 -0.003 0.000 0.280 466 N C -2.125 173.508 175.510 0.204 0.000 1.008 466 N CA -0.358 52.809 53.050 0.195 0.000 0.894 466 N CB 1.788 40.332 38.487 0.095 0.000 1.273 466 N HN 0.431 nan 8.380 nan 0.000 0.486 467 V N 2.791 122.826 119.914 0.201 0.000 2.789 467 V HA 0.518 4.635 4.120 -0.003 0.000 0.311 467 V C -0.721 175.364 176.094 -0.014 0.000 1.073 467 V CA -0.744 61.603 62.300 0.079 0.000 0.921 467 V CB 2.105 33.926 31.823 -0.003 0.000 1.009 467 V HN 0.616 nan 8.190 nan 0.000 0.426 468 K N 3.198 123.568 120.400 -0.049 0.000 2.422 468 K HA 0.737 5.055 4.320 -0.003 0.000 0.251 468 K C -1.859 174.873 176.600 0.219 0.000 0.933 468 K CA -0.596 55.735 56.287 0.073 0.000 0.798 468 K CB 2.600 35.154 32.500 0.091 0.000 1.238 468 K HN 0.376 nan 8.250 nan 0.000 0.428 469 F N 0.867 121.029 119.950 0.354 0.000 2.532 469 F HA 0.591 5.116 4.527 -0.003 0.000 0.321 469 F C -0.026 175.675 175.800 -0.164 0.000 1.089 469 F CA -1.144 56.941 58.000 0.142 0.000 0.926 469 F CB 2.050 41.065 39.000 0.025 0.000 1.168 469 F HN 0.592 nan 8.300 nan 0.000 0.459 470 A N 1.592 124.163 122.820 -0.416 0.000 2.342 470 A HA 0.977 5.295 4.320 -0.003 0.000 0.323 470 A C -1.069 176.338 177.584 -0.295 0.000 1.125 470 A CA -0.290 51.364 52.037 -0.638 0.000 0.785 470 A CB 1.132 19.382 19.000 -1.250 0.000 1.221 470 A HN 1.123 nan 8.150 nan 0.000 0.463 471 A N 1.971 124.672 122.820 -0.199 0.000 2.594 471 A HA 0.720 5.037 4.320 -0.003 0.000 0.291 471 A C -0.586 176.933 177.584 -0.108 0.000 1.105 471 A CA -0.785 51.162 52.037 -0.150 0.000 0.694 471 A CB 0.988 19.901 19.000 -0.144 0.000 1.291 471 A HN 0.751 nan 8.150 nan 0.000 0.410 472 K N 0.608 120.953 120.400 -0.092 0.000 2.138 472 K HA 0.199 4.517 4.320 -0.003 0.000 0.251 472 K C 0.932 177.499 176.600 -0.054 0.000 1.015 472 K CA -0.309 55.940 56.287 -0.064 0.000 0.917 472 K CB 0.985 33.451 32.500 -0.056 0.000 1.021 472 K HN 0.751 nan 8.250 nan 0.000 0.485 473 K N 1.504 121.881 120.400 -0.038 0.000 2.160 473 K HA -0.211 4.107 4.320 -0.003 0.000 0.206 473 K C 1.018 177.600 176.600 -0.030 0.000 1.047 473 K CA 2.271 58.541 56.287 -0.028 0.000 0.930 473 K CB -0.030 32.459 32.500 -0.018 0.000 0.720 473 K HN 0.672 nan 8.250 nan 0.000 0.450 474 D N -1.346 119.034 120.400 -0.033 0.000 2.363 474 D HA 0.007 4.645 4.640 -0.003 0.000 0.226 474 D C 1.085 177.358 176.300 -0.044 0.000 1.020 474 D CA 0.910 54.892 54.000 -0.031 0.000 0.892 474 D CB 0.189 40.974 40.800 -0.026 0.000 0.900 474 D HN 0.453 nan 8.370 nan 0.000 0.531 475 G N -0.606 108.156 108.800 -0.062 0.000 2.194 475 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.236 475 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.236 475 G C 0.410 175.234 174.900 -0.127 0.000 0.987 475 G CA 0.177 45.222 45.100 -0.092 0.000 0.635 475 G HN 0.439 nan 8.290 nan 0.000 0.520 476 T N 2.575 117.067 114.554 -0.104 0.000 2.793 476 T HA 0.422 4.770 4.350 -0.003 0.000 0.289 476 T C 0.992 175.606 174.700 -0.144 0.000 0.956 476 T CA 0.034 62.066 62.100 -0.112 0.000 1.177 476 T CB 0.828 69.649 68.868 -0.078 0.000 0.897 476 T HN 0.369 nan 8.240 nan 0.000 0.533 477 L N 4.335 125.445 121.223 -0.190 0.000 2.490 477 L HA 0.129 4.467 4.340 -0.003 0.000 0.274 477 L C 1.309 178.101 176.870 -0.131 0.000 1.201 477 L CA -0.054 54.655 54.840 -0.219 0.000 0.869 477 L CB 0.364 42.240 42.059 -0.304 0.000 1.123 477 L HN 0.683 nan 8.230 nan 0.000 0.484 478 L N 3.147 124.291 121.223 -0.131 0.000 2.467 478 L HA 0.447 4.785 4.340 -0.003 0.000 0.213 478 L C 0.562 177.403 176.870 -0.048 0.000 1.053 478 L CA 0.194 54.979 54.840 -0.091 0.000 0.847 478 L CB 0.216 42.202 42.059 -0.122 0.000 1.075 478 L HN 0.743 nan 8.230 nan 0.000 0.479 479 A N -0.048 122.736 122.820 -0.060 0.000 2.601 479 A HA 0.696 5.014 4.320 -0.003 0.000 0.291 479 A C -1.522 176.217 177.584 0.258 0.000 1.075 479 A CA -0.372 51.716 52.037 0.087 0.000 0.671 479 A CB 1.878 20.946 19.000 0.113 0.000 1.277 479 A HN -0.011 nan 8.150 nan 0.000 0.417 480 M N 0.795 120.648 119.600 0.423 0.000 2.446 480 M HA 0.565 5.043 4.480 -0.003 0.000 0.294 480 M C -1.611 174.935 176.300 0.410 0.000 1.158 480 M CA -0.111 55.506 55.300 0.527 0.000 0.899 480 M CB 2.107 34.989 32.600 0.470 0.000 1.687 480 M HN 0.795 nan 8.290 nan 0.000 0.455 481 E N 1.801 122.182 120.200 0.302 0.000 2.212 481 E HA 0.664 5.012 4.350 -0.003 0.000 0.268 481 E C -1.380 175.294 176.600 0.124 0.000 0.902 481 E CA -0.717 55.748 56.400 0.107 0.000 0.779 481 E CB 2.415 32.030 29.700 -0.142 0.000 1.172 481 E HN 0.714 nan 8.360 nan 0.000 0.409 482 S N 1.888 117.697 115.700 0.183 0.000 2.541 482 S HA 0.559 5.027 4.470 -0.003 0.000 0.271 482 S C -1.317 173.503 174.600 0.367 0.000 1.133 482 S CA -1.059 57.312 58.200 0.285 0.000 0.876 482 S CB 2.076 65.478 63.200 0.338 0.000 1.105 482 S HN 0.384 nan 8.310 nan 0.000 0.470 483 D N 1.138 121.775 120.400 0.396 0.000 2.964 483 D HA 0.504 5.142 4.640 -0.003 0.000 0.234 483 D C -1.512 175.046 176.300 0.429 0.000 1.223 483 D CA -0.203 53.951 54.000 0.256 0.000 0.889 483 D CB 1.996 42.843 40.800 0.079 0.000 1.609 483 D HN 0.796 nan 8.370 nan 0.000 0.523 484 W N 1.552 122.827 121.300 -0.041 0.000 3.256 484 W HA 0.630 5.288 4.660 -0.004 0.000 0.324 484 W C -2.143 174.259 176.519 -0.195 0.000 1.196 484 W CA -1.199 56.100 57.345 -0.077 0.000 1.206 484 W CB 0.936 30.334 29.460 -0.102 0.000 1.385 484 W HN 0.164 nan 8.180 nan 0.000 0.522 485 L N 4.157 125.360 121.223 -0.033 0.000 2.343 485 L HA 0.688 5.026 4.340 -0.003 0.000 0.278 485 L C -1.358 175.440 176.870 -0.120 0.000 0.996 485 L CA -0.934 53.826 54.840 -0.134 0.000 0.831 485 L CB 1.771 43.809 42.059 -0.034 0.000 1.232 485 L HN 0.469 nan 8.230 nan 0.000 0.413 486 V N 4.283 124.049 119.914 -0.247 0.000 2.333 486 V HA 0.286 4.404 4.120 -0.003 0.000 0.274 486 V C -0.322 175.793 176.094 0.035 0.000 1.028 486 V CA -0.608 61.575 62.300 -0.194 0.000 0.851 486 V CB 1.172 32.799 31.823 -0.327 0.000 1.000 486 V HN 0.736 nan 8.190 nan 0.000 0.456 487 D N 3.469 123.967 120.400 0.163 0.000 2.352 487 D HA 0.041 4.679 4.640 -0.003 0.000 0.245 487 D C 0.655 177.115 176.300 0.267 0.000 1.224 487 D CA 0.156 54.277 54.000 0.200 0.000 0.879 487 D CB 0.348 41.277 40.800 0.215 0.000 1.057 487 D HN 0.632 nan 8.370 nan 0.000 0.491 488 H N 3.327 122.513 119.070 0.195 0.000 2.520 488 H HA 0.253 4.807 4.556 -0.003 0.000 0.284 488 H C 1.054 176.565 175.328 0.305 0.000 1.037 488 H CA 0.506 56.715 56.048 0.267 0.000 1.168 488 H CB 0.256 30.202 29.762 0.307 0.000 1.497 488 H HN 0.708 nan 8.280 nan 0.000 0.547 489 G N 1.783 110.736 108.800 0.254 0.000 2.633 489 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.263 489 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.263 489 G C -1.676 173.346 174.900 0.205 0.000 1.310 489 G CA 0.040 45.279 45.100 0.233 0.000 0.914 489 G HN 0.301 nan 8.290 nan 0.000 0.569 490 P HA 0.182 nan 4.420 nan 0.000 0.245 490 P C -0.352 176.894 177.300 -0.089 0.000 1.203 490 P CA 0.838 63.847 63.100 -0.153 0.000 0.792 490 P CB 0.293 31.701 31.700 -0.486 0.000 0.997 491 Y N 0.573 121.023 120.300 0.249 0.000 2.328 491 Y HA 0.241 4.789 4.550 -0.004 0.000 0.337 491 Y C 1.818 177.874 175.900 0.259 0.000 0.966 491 Y CA -1.404 56.740 58.100 0.074 0.000 1.136 491 Y CB 1.133 39.470 38.460 -0.206 0.000 1.170 491 Y HN -0.131 nan 8.280 nan 0.000 0.470 492 S N 0.493 116.277 115.700 0.141 0.000 2.522 492 S HA -0.080 4.388 4.470 -0.003 0.000 0.227 492 S C 0.266 174.847 174.600 -0.032 0.000 0.986 492 S CA -0.059 58.125 58.200 -0.027 0.000 0.929 492 S CB -0.715 62.213 63.200 -0.454 0.000 0.769 492 S HN 0.742 nan 8.310 nan 0.000 0.529 493 E N 1.462 121.660 120.200 -0.004 0.000 2.729 493 E HA -0.114 4.234 4.350 -0.003 0.000 0.246 493 E C -0.622 175.893 176.600 -0.142 0.000 0.984 493 E CA -0.010 56.181 56.400 -0.348 0.000 0.951 493 E CB -0.641 28.830 29.700 -0.382 0.000 0.914 493 E HN 0.423 nan 8.360 nan 0.000 0.509 494 F N 1.635 121.679 119.950 0.156 0.000 2.973 494 F HA -0.241 4.284 4.527 -0.003 0.000 0.299 494 F C 1.629 177.465 175.800 0.060 0.000 0.737 494 F CA 0.957 59.068 58.000 0.185 0.000 1.151 494 F CB -1.951 37.273 39.000 0.374 0.000 1.440 494 F HN 0.689 nan 8.300 nan 0.000 0.367 495 G N 0.626 109.286 108.800 -0.233 0.000 2.394 495 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.215 495 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.215 495 G C 1.288 175.992 174.900 -0.326 0.000 1.165 495 G CA 1.031 45.751 45.100 -0.633 0.000 0.784 495 G HN 0.509 nan 8.290 nan 0.000 0.535 496 D N 0.976 121.072 120.400 -0.507 0.000 2.117 496 D HA -0.127 4.511 4.640 -0.003 0.000 0.197 496 D C 2.244 177.989 176.300 -0.925 0.000 0.987 496 D CA 0.725 54.037 54.000 -1.146 0.000 0.829 496 D CB -0.806 38.725 40.800 -2.115 0.000 0.961 496 D HN 0.260 nan 8.370 nan 0.000 0.460 497 L N -0.218 120.619 121.223 -0.644 0.000 2.046 497 L HA -0.038 4.300 4.340 -0.003 0.000 0.208 497 L C 2.189 179.137 176.870 0.129 0.000 1.077 497 L CA 1.309 56.110 54.840 -0.065 0.000 0.747 497 L CB -0.890 41.370 42.059 0.336 0.000 0.896 497 L HN 0.170 nan 8.230 nan 0.000 0.432 498 L N -0.938 120.327 121.223 0.071 0.000 2.042 498 L HA -0.194 4.144 4.340 -0.003 0.000 0.210 498 L C 2.278 179.262 176.870 0.190 0.000 1.076 498 L CA 2.500 57.263 54.840 -0.128 0.000 0.749 498 L CB -1.193 40.871 42.059 0.009 0.000 0.893 498 L HN 0.355 nan 8.230 nan 0.000 0.432 499 T N -0.135 114.510 114.554 0.152 0.000 2.788 499 T HA -0.170 4.178 4.350 -0.003 0.000 0.268 499 T C 1.795 176.792 174.700 0.496 0.000 1.044 499 T CA 1.517 63.767 62.100 0.249 0.000 1.139 499 T CB -0.422 68.546 68.868 0.167 0.000 0.867 499 T HN 0.356 nan 8.240 nan 0.000 0.454 500 L N 1.490 122.969 121.223 0.426 0.000 2.131 500 L HA -0.014 4.324 4.340 -0.003 0.000 0.210 500 L C 2.293 179.432 176.870 0.447 0.000 1.092 500 L CA 1.594 56.725 54.840 0.485 0.000 0.759 500 L CB -0.463 41.899 42.059 0.506 0.000 0.903 500 L HN -0.029 nan 8.230 nan 0.000 0.435 501 R N 0.108 120.871 120.500 0.439 0.000 2.159 501 R HA -0.091 4.247 4.340 -0.003 0.000 0.237 501 R C 2.153 178.732 176.300 0.464 0.000 1.131 501 R CA 1.125 57.529 56.100 0.507 0.000 0.982 501 R CB -1.362 29.206 30.300 0.447 0.000 0.868 501 R HN 0.601 nan 8.270 nan 0.000 0.453 502 G N 0.499 109.537 108.800 0.396 0.000 2.422 502 G HA2 -0.186 3.771 3.960 -0.003 0.000 0.218 502 G HA3 -0.186 3.771 3.960 -0.003 0.000 0.218 502 G C 1.551 176.224 174.900 -0.379 0.000 1.140 502 G CA 0.747 45.711 45.100 -0.228 0.000 0.775 502 G HN 0.415 nan 8.290 nan 0.000 0.545 503 A N 0.208 123.097 122.820 0.115 0.000 1.968 503 A HA 0.023 4.341 4.320 -0.003 0.000 0.217 503 A C 2.292 179.902 177.584 0.042 0.000 1.169 503 A CA 1.679 53.829 52.037 0.188 0.000 0.638 503 A CB -0.218 18.994 19.000 0.354 0.000 0.812 503 A HN 0.448 nan 8.150 nan 0.000 0.446 504 Q N -2.224 117.563 119.800 -0.022 0.000 2.212 504 Q HA 0.071 4.409 4.340 -0.003 0.000 0.199 504 Q C 0.873 176.488 176.000 -0.643 0.000 0.950 504 Q CA 1.157 56.746 55.803 -0.357 0.000 0.863 504 Q CB 0.034 28.489 28.738 -0.472 0.000 0.944 504 Q HN 0.730 nan 8.270 nan 0.000 0.465 505 F N -0.639 119.379 119.950 0.113 0.000 2.752 505 F HA 0.279 4.804 4.527 -0.003 0.000 0.310 505 F C 0.498 176.312 175.800 0.024 0.000 1.097 505 F CA -0.556 57.498 58.000 0.090 0.000 1.238 505 F CB 0.672 39.752 39.000 0.133 0.000 1.061 505 F HN -0.147 nan 8.300 nan 0.000 0.591 506 I N 1.106 121.718 120.570 0.069 0.000 2.662 506 I HA 0.184 4.352 4.170 -0.003 0.000 0.285 506 I C 1.446 177.635 176.117 0.121 0.000 1.161 506 I CA 0.897 62.212 61.300 0.025 0.000 1.415 506 I CB -0.198 37.734 38.000 -0.114 0.000 1.385 506 I HN 0.481 nan 8.210 nan 0.000 0.552 507 G N 4.368 113.286 108.800 0.197 0.000 2.162 507 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.260 507 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.260 507 G C 0.477 175.510 174.900 0.221 0.000 0.976 507 G CA 0.011 45.305 45.100 0.324 0.000 0.655 507 G HN 0.990 nan 8.290 nan 0.000 0.533 508 A N -0.666 122.240 122.820 0.145 0.000 2.483 508 A HA 0.658 4.976 4.320 -0.003 0.000 0.238 508 A C 1.923 179.332 177.584 -0.291 0.000 1.070 508 A CA 2.093 54.178 52.037 0.080 0.000 0.770 508 A CB 0.200 19.363 19.000 0.272 0.000 1.008 508 A HN 2.355 nan 8.150 nan 0.000 0.497 509 G N -0.277 108.114 108.800 -0.682 0.000 2.316 509 G HA2 -0.129 3.829 3.960 -0.003 0.000 0.203 509 G HA3 -0.129 3.829 3.960 -0.003 0.000 0.203 509 G C -0.129 173.592 174.900 -1.966 0.000 0.999 509 G CA 0.250 44.488 45.100 -1.436 0.000 0.649 509 G HN 0.982 nan 8.290 nan 0.000 0.489 510 Y N 0.203 120.057 120.300 -0.742 0.000 2.570 510 Y HA 0.707 5.255 4.550 -0.003 0.000 0.345 510 Y C 0.074 175.951 175.900 -0.038 0.000 1.014 510 Y CA -1.733 56.142 58.100 -0.375 0.000 1.063 510 Y CB 1.085 39.394 38.460 -0.250 0.000 1.272 510 Y HN 0.073 nan 8.280 nan 0.000 0.477 511 N N 1.937 120.759 118.700 0.202 0.000 2.405 511 N HA 0.296 5.034 4.740 -0.003 0.000 0.260 511 N C -1.429 174.151 175.510 0.117 0.000 1.152 511 N CA 0.289 53.456 53.050 0.196 0.000 0.948 511 N CB -0.032 38.535 38.487 0.132 0.000 1.111 511 N HN 0.556 nan 8.380 nan 0.000 0.485 512 I N 5.733 126.382 120.570 0.131 0.000 2.466 512 I HA 0.263 4.431 4.170 -0.003 0.000 0.279 512 I C -1.775 174.398 176.117 0.094 0.000 1.033 512 I CA -1.922 59.435 61.300 0.096 0.000 1.123 512 I CB 2.111 40.191 38.000 0.133 0.000 1.237 512 I HN 0.428 nan 8.210 nan 0.000 0.460 513 P HA -0.007 nan 4.420 nan 0.000 0.222 513 P C -0.360 176.983 177.300 0.072 0.000 1.153 513 P CA 1.106 64.243 63.100 0.061 0.000 0.798 513 P CB 0.236 31.960 31.700 0.039 0.000 0.796 514 N N 0.230 118.984 118.700 0.089 0.000 2.448 514 N HA 0.366 5.104 4.740 -0.003 0.000 0.279 514 N C -0.772 174.830 175.510 0.152 0.000 1.025 514 N CA -0.286 52.829 53.050 0.108 0.000 0.898 514 N CB 2.134 40.682 38.487 0.102 0.000 1.303 514 N HN -0.027 nan 8.380 nan 0.000 0.495 515 I N 1.637 122.295 120.570 0.147 0.000 2.569 515 I HA 0.405 4.573 4.170 -0.003 0.000 0.290 515 I C -0.514 175.693 176.117 0.150 0.000 1.088 515 I CA -0.715 60.689 61.300 0.174 0.000 1.047 515 I CB 2.106 40.207 38.000 0.168 0.000 1.237 515 I HN 0.073 nan 8.210 nan 0.000 0.421 516 R N 3.952 124.544 120.500 0.153 0.000 2.502 516 R HA 0.777 5.115 4.340 -0.003 0.000 0.300 516 R C -0.564 175.812 176.300 0.126 0.000 0.984 516 R CA -0.752 55.415 56.100 0.111 0.000 0.882 516 R CB 2.076 32.418 30.300 0.070 0.000 1.180 516 R HN 0.919 nan 8.270 nan 0.000 0.444 517 G N 1.114 110.000 108.800 0.144 0.000 2.684 517 G HA2 0.637 4.595 3.960 -0.003 0.000 0.290 517 G HA3 0.637 4.595 3.960 -0.003 0.000 0.290 517 G C -2.061 172.872 174.900 0.055 0.000 1.425 517 G CA -0.448 44.774 45.100 0.203 0.000 0.822 517 G HN 0.320 nan 8.290 nan 0.000 0.482 518 L N 0.389 121.516 121.223 -0.160 0.000 2.562 518 L HA 0.746 5.084 4.340 -0.003 0.000 0.266 518 L C 0.111 176.190 176.870 -1.319 0.000 0.949 518 L CA -0.096 54.416 54.840 -0.546 0.000 0.879 518 L CB 1.854 43.709 42.059 -0.341 0.000 1.278 518 L HN 0.977 nan 8.230 nan 0.000 0.404 519 G N 3.784 111.455 108.800 -1.882 0.000 2.371 519 G HA2 0.741 4.699 3.960 -0.003 0.000 0.326 519 G HA3 0.741 4.699 3.960 -0.003 0.000 0.326 519 G C -1.003 173.263 174.900 -1.058 0.000 1.127 519 G CA -0.612 43.080 45.100 -2.346 0.000 0.885 519 G HN 0.598 nan 8.290 nan 0.000 0.477 520 R N 0.378 120.388 120.500 -0.816 0.000 2.686 520 R HA 0.523 4.861 4.340 -0.003 0.000 0.283 520 R C -0.893 175.168 176.300 -0.398 0.000 0.978 520 R CA -0.667 55.133 56.100 -0.499 0.000 0.897 520 R CB 2.388 32.456 30.300 -0.386 0.000 1.192 520 R HN 0.537 nan 8.270 nan 0.000 0.457 521 T N 1.362 115.703 114.554 -0.354 0.000 2.794 521 T HA 0.377 4.725 4.350 -0.003 0.000 0.280 521 T C -0.825 173.521 174.700 -0.590 0.000 0.987 521 T CA -0.637 61.198 62.100 -0.442 0.000 0.993 521 T CB 1.774 70.305 68.868 -0.563 0.000 0.939 521 T HN 0.208 nan 8.240 nan 0.000 0.449 522 V N 2.308 122.015 119.914 -0.344 0.000 2.588 522 V HA 0.775 4.893 4.120 -0.003 0.000 0.304 522 V C -0.320 175.818 176.094 0.074 0.000 1.042 522 V CA -0.943 61.250 62.300 -0.177 0.000 0.877 522 V CB 1.433 33.208 31.823 -0.080 0.000 0.996 522 V HN 1.160 nan 8.190 nan 0.000 0.425 523 A N 4.733 127.710 122.820 0.261 0.000 2.440 523 A HA 0.738 5.056 4.320 -0.003 0.000 0.251 523 A C 0.417 178.118 177.584 0.195 0.000 1.089 523 A CA 0.560 52.810 52.037 0.355 0.000 0.779 523 A CB 0.356 19.607 19.000 0.417 0.000 1.022 523 A HN 1.387 nan 8.150 nan 0.000 0.492 524 T N -0.882 113.789 114.554 0.195 0.000 2.804 524 T HA 0.428 4.776 4.350 -0.003 0.000 0.290 524 T C 0.138 174.923 174.700 0.140 0.000 1.099 524 T CA -0.588 61.619 62.100 0.178 0.000 1.011 524 T CB 1.036 70.038 68.868 0.223 0.000 1.291 524 T HN 0.433 nan 8.240 nan 0.000 0.523 525 N N -0.523 118.260 118.700 0.138 0.000 2.270 525 N HA 0.142 4.880 4.740 -0.003 0.000 0.198 525 N C 0.319 175.926 175.510 0.162 0.000 1.117 525 N CA -0.257 52.844 53.050 0.086 0.000 0.845 525 N CB 0.009 38.493 38.487 -0.004 0.000 0.980 525 N HN 0.472 nan 8.380 nan 0.000 0.486 526 H N 0.416 119.589 119.070 0.171 0.000 2.408 526 H HA 0.248 4.803 4.556 -0.003 0.000 0.345 526 H C 0.206 175.682 175.328 0.247 0.000 1.547 526 H CA -0.494 55.684 56.048 0.217 0.000 1.447 526 H CB 0.677 30.565 29.762 0.211 0.000 1.686 526 H HN -0.275 nan 8.280 nan 0.000 0.625 527 V N 2.531 122.844 119.914 0.665 0.000 2.673 527 V HA -0.143 3.975 4.120 -0.003 0.000 0.303 527 V C 0.296 176.577 176.094 0.312 0.000 1.046 527 V CA 0.196 62.768 62.300 0.453 0.000 1.126 527 V CB -0.462 31.561 31.823 0.334 0.000 0.934 527 V HN 0.720 nan 8.190 nan 0.000 0.487 528 W N 3.700 125.077 121.300 0.129 0.000 2.170 528 W HA 0.514 5.172 4.660 -0.003 0.000 0.342 528 W C 0.659 177.167 176.519 -0.018 0.000 1.294 528 W CA -0.395 56.975 57.345 0.041 0.000 1.246 528 W CB 0.346 29.890 29.460 0.139 0.000 1.156 528 W HN 0.801 nan 8.180 nan 0.000 0.572 529 G N 3.092 111.676 108.800 -0.360 0.000 2.358 529 G HA2 0.420 4.378 3.960 -0.003 0.000 0.273 529 G HA3 0.420 4.378 3.960 -0.003 0.000 0.273 529 G C -1.054 173.735 174.900 -0.185 0.000 1.215 529 G CA -0.604 44.211 45.100 -0.474 0.000 0.910 529 G HN 0.579 nan 8.290 nan 0.000 0.467 530 S N 0.329 115.985 115.700 -0.074 0.000 2.536 530 S HA 0.700 5.168 4.470 -0.003 0.000 0.298 530 S C 0.523 175.331 174.600 0.346 0.000 1.083 530 S CA -0.331 57.966 58.200 0.162 0.000 0.995 530 S CB 1.840 65.021 63.200 -0.033 0.000 1.058 530 S HN 1.147 nan 8.310 nan 0.000 0.488 531 A N 1.855 124.890 122.820 0.358 0.000 2.587 531 A HA 0.342 4.659 4.320 -0.003 0.000 0.235 531 A C -0.714 177.149 177.584 0.466 0.000 1.044 531 A CA 0.605 52.826 52.037 0.306 0.000 0.754 531 A CB -0.468 18.431 19.000 -0.167 0.000 0.968 531 A HN 0.602 nan 8.150 nan 0.000 0.509 532 F N 3.109 123.215 119.950 0.260 0.000 2.539 532 F HA 0.430 4.955 4.527 -0.003 0.000 0.328 532 F C 0.610 176.426 175.800 0.027 0.000 1.148 532 F CA -1.292 56.798 58.000 0.150 0.000 0.940 532 F CB 1.195 40.094 39.000 -0.167 0.000 1.194 532 F HN 0.795 nan 8.300 nan 0.000 0.438 533 R N 4.002 124.780 120.500 0.463 0.000 4.339 533 R HA -0.043 4.295 4.340 -0.003 0.000 0.105 533 R C 1.048 177.338 176.300 -0.016 0.000 0.301 533 R CA 1.845 58.075 56.100 0.218 0.000 0.787 533 R CB -0.751 29.738 30.300 0.316 0.000 1.118 533 R HN 1.279 nan 8.270 nan 0.000 0.220 534 G N 3.353 112.010 108.800 -0.238 0.000 2.339 534 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.209 534 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.209 534 G C -0.110 174.458 174.900 -0.553 0.000 1.015 534 G CA 0.035 44.778 45.100 -0.595 0.000 0.635 534 G HN 0.948 nan 8.290 nan 0.000 0.499 535 Y N 0.884 121.010 120.300 -0.291 0.000 2.984 535 Y HA 0.046 4.594 4.550 -0.003 0.000 0.193 535 Y C 1.745 177.641 175.900 -0.007 0.000 1.413 535 Y CA 2.453 60.511 58.100 -0.070 0.000 0.832 535 Y CB -1.064 37.416 38.460 0.034 0.000 1.314 535 Y HN 2.218 nan 8.280 nan 0.000 0.386 536 G N 0.742 109.356 108.800 -0.309 0.000 2.317 536 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.227 536 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.227 536 G C 1.186 175.798 174.900 -0.481 0.000 1.042 536 G CA 0.839 45.690 45.100 -0.414 0.000 0.623 536 G HN 1.657 nan 8.290 nan 0.000 0.509 537 A N 1.327 123.931 122.820 -0.361 0.000 1.897 537 A HA 0.371 4.689 4.320 -0.003 0.000 0.215 537 A C 0.516 177.896 177.584 -0.339 0.000 1.181 537 A CA 2.476 54.310 52.037 -0.338 0.000 0.620 537 A CB -0.942 17.751 19.000 -0.511 0.000 0.821 537 A HN 0.452 nan 8.150 nan 0.000 0.443 538 P HA -0.143 nan 4.420 nan 0.000 0.218 538 P C 1.209 178.384 177.300 -0.208 0.000 1.149 538 P CA 1.384 64.355 63.100 -0.214 0.000 0.817 538 P CB -0.000 31.427 31.700 -0.454 0.000 0.785 539 Q N -0.919 118.544 119.800 -0.562 0.000 1.994 539 Q HA -0.074 4.264 4.340 -0.003 0.000 0.198 539 Q C 2.380 178.159 176.000 -0.368 0.000 0.976 539 Q CA 1.759 57.189 55.803 -0.620 0.000 0.828 539 Q CB -1.214 26.662 28.738 -1.437 0.000 0.894 539 Q HN 0.103 nan 8.270 nan 0.000 0.432 540 S N 0.368 115.775 115.700 -0.487 0.000 2.359 540 S HA -0.151 4.317 4.470 -0.003 0.000 0.223 540 S C 1.875 176.402 174.600 -0.121 0.000 1.039 540 S CA 1.554 59.635 58.200 -0.199 0.000 1.042 540 S CB -0.237 62.905 63.200 -0.095 0.000 0.915 540 S HN 0.330 nan 8.310 nan 0.000 0.439 541 M N -0.387 119.139 119.600 -0.122 0.000 2.419 541 M HA 0.061 4.539 4.480 -0.003 0.000 0.264 541 M C 1.840 178.020 176.300 -0.200 0.000 1.082 541 M CA 0.673 55.903 55.300 -0.117 0.000 1.119 541 M CB -0.407 32.133 32.600 -0.101 0.000 1.398 541 M HN 0.274 nan 8.290 nan 0.000 0.453 542 F N 1.876 121.627 119.950 -0.333 0.000 2.095 542 F HA -0.187 4.338 4.527 -0.003 0.000 0.298 542 F C 2.395 177.902 175.800 -0.490 0.000 1.104 542 F CA 1.724 59.494 58.000 -0.382 0.000 1.232 542 F CB -0.367 38.503 39.000 -0.216 0.000 0.987 542 F HN 0.069 nan 8.300 nan 0.000 0.475 543 A N -0.021 122.499 122.820 -0.499 0.000 1.858 543 A HA -0.204 4.114 4.320 -0.003 0.000 0.216 543 A C 2.379 179.451 177.584 -0.853 0.000 1.190 543 A CA 2.518 53.938 52.037 -1.028 0.000 0.617 543 A CB -1.490 17.274 19.000 -0.393 0.000 0.827 543 A HN 0.520 nan 8.150 nan 0.000 0.443 544 S N -0.606 114.870 115.700 -0.374 0.000 2.406 544 S HA -0.099 4.369 4.470 -0.003 0.000 0.228 544 S C 1.578 176.150 174.600 -0.046 0.000 1.020 544 S CA 1.224 59.348 58.200 -0.127 0.000 0.965 544 S CB -0.281 62.995 63.200 0.127 0.000 0.798 544 S HN 0.523 nan 8.310 nan 0.000 0.488 545 E N 0.756 120.853 120.200 -0.171 0.000 2.216 545 E HA 0.044 4.392 4.350 -0.003 0.000 0.192 545 E C 2.197 178.658 176.600 -0.232 0.000 0.988 545 E CA 0.643 56.965 56.400 -0.130 0.000 0.834 545 E CB -0.606 28.999 29.700 -0.159 0.000 0.772 545 E HN 0.588 nan 8.360 nan 0.000 0.479 546 C N 0.550 119.564 119.300 -0.477 0.000 2.466 546 C HA -0.041 4.417 4.460 -0.003 0.000 0.278 546 C C 2.690 177.585 174.990 -0.159 0.000 1.288 546 C CA 0.080 58.843 59.018 -0.426 0.000 1.722 546 C CB -0.915 26.373 27.740 -0.753 0.000 2.017 546 C HN 0.315 nan 8.230 nan 0.000 0.488 547 L N 0.366 121.484 121.223 -0.176 0.000 2.083 547 L HA -0.094 4.244 4.340 -0.003 0.000 0.209 547 L C 2.414 179.419 176.870 0.224 0.000 1.083 547 L CA 1.864 56.742 54.840 0.064 0.000 0.752 547 L CB -0.572 41.387 42.059 -0.166 0.000 0.899 547 L HN 0.207 nan 8.230 nan 0.000 0.433 548 M N -1.008 118.734 119.600 0.238 0.000 2.108 548 M HA -0.228 4.250 4.480 -0.003 0.000 0.261 548 M C 1.878 178.195 176.300 0.027 0.000 1.066 548 M CA 1.603 56.970 55.300 0.111 0.000 1.107 548 M CB -1.271 31.299 32.600 -0.051 0.000 1.356 548 M HN 0.246 nan 8.290 nan 0.000 0.406 549 D N -0.115 120.290 120.400 0.007 0.000 2.144 549 D HA -0.084 4.554 4.640 -0.003 0.000 0.200 549 D C 2.043 178.362 176.300 0.033 0.000 0.978 549 D CA 1.056 55.056 54.000 0.001 0.000 0.833 549 D CB -0.137 40.650 40.800 -0.023 0.000 0.961 549 D HN 0.305 nan 8.370 nan 0.000 0.470 550 M N -0.392 119.249 119.600 0.069 0.000 2.117 550 M HA -0.108 4.370 4.480 -0.003 0.000 0.262 550 M C 1.946 178.302 176.300 0.095 0.000 1.065 550 M CA 0.770 56.128 55.300 0.097 0.000 1.114 550 M CB -0.123 32.570 32.600 0.155 0.000 1.361 550 M HN 0.073 nan 8.290 nan 0.000 0.408 551 L N 0.735 122.028 121.223 0.116 0.000 2.017 551 L HA -0.062 4.276 4.340 -0.003 0.000 0.208 551 L C 2.538 179.426 176.870 0.029 0.000 1.073 551 L CA 2.157 57.051 54.840 0.090 0.000 0.745 551 L CB -1.003 41.121 42.059 0.109 0.000 0.894 551 L HN 0.200 nan 8.230 nan 0.000 0.432 552 A N -0.658 122.167 122.820 0.008 0.000 1.883 552 A HA -0.311 4.007 4.320 -0.003 0.000 0.217 552 A C 2.342 179.934 177.584 0.014 0.000 1.186 552 A CA 2.001 54.035 52.037 -0.005 0.000 0.624 552 A CB -0.864 18.130 19.000 -0.011 0.000 0.822 552 A HN 0.647 nan 8.150 nan 0.000 0.444 553 E N -0.386 119.829 120.200 0.026 0.000 2.077 553 E HA -0.248 4.100 4.350 -0.003 0.000 0.193 553 E C 2.062 178.680 176.600 0.029 0.000 0.989 553 E CA 1.592 58.010 56.400 0.030 0.000 0.800 553 E CB -0.131 29.590 29.700 0.036 0.000 0.746 553 E HN 0.619 nan 8.360 nan 0.000 0.452 554 K N 0.037 120.458 120.400 0.036 0.000 2.148 554 K HA -0.072 4.246 4.320 -0.003 0.000 0.204 554 K C 1.918 178.530 176.600 0.021 0.000 1.050 554 K CA 0.804 57.111 56.287 0.033 0.000 0.942 554 K CB 0.062 32.589 32.500 0.045 0.000 0.724 554 K HN 0.188 nan 8.250 nan 0.000 0.446 555 L N -0.496 120.734 121.223 0.013 0.000 2.492 555 L HA 0.129 4.466 4.340 -0.003 0.000 0.223 555 L C 1.000 177.872 176.870 0.005 0.000 1.132 555 L CA 0.452 55.293 54.840 0.003 0.000 0.850 555 L CB 0.089 42.142 42.059 -0.011 0.000 0.966 555 L HN 0.458 nan 8.230 nan 0.000 0.454 556 G N 0.608 109.414 108.800 0.010 0.000 2.221 556 G HA2 -0.301 3.656 3.960 -0.003 0.000 0.265 556 G HA3 -0.301 3.656 3.960 -0.003 0.000 0.265 556 G C 0.087 174.993 174.900 0.011 0.000 1.041 556 G CA 0.171 45.278 45.100 0.012 0.000 0.807 556 G HN 0.258 nan 8.290 nan 0.000 0.502 557 M N -0.242 119.364 119.600 0.009 0.000 2.508 557 M HA 0.372 4.850 4.480 -0.003 0.000 0.327 557 M C 0.134 176.447 176.300 0.020 0.000 1.160 557 M CA -0.803 54.503 55.300 0.009 0.000 0.980 557 M CB 1.438 34.035 32.600 -0.005 0.000 1.693 557 M HN 0.227 nan 8.290 nan 0.000 0.452 558 D N 2.400 122.820 120.400 0.034 0.000 2.424 558 D HA 0.111 4.748 4.640 -0.003 0.000 0.244 558 D C -1.871 174.450 176.300 0.035 0.000 1.134 558 D CA -1.130 52.909 54.000 0.064 0.000 0.881 558 D CB 1.178 42.041 40.800 0.104 0.000 1.191 558 D HN 0.182 nan 8.370 nan 0.000 0.445 559 P HA -0.118 nan 4.420 nan 0.000 0.216 559 P C 1.352 178.605 177.300 -0.078 0.000 1.153 559 P CA 0.398 63.484 63.100 -0.024 0.000 0.848 559 P CB 0.086 31.779 31.700 -0.012 0.000 0.787 560 L N -0.000 121.129 121.223 -0.155 0.000 2.046 560 L HA -0.142 4.196 4.340 -0.003 0.000 0.208 560 L C 2.013 178.847 176.870 -0.060 0.000 1.077 560 L CA 2.030 56.739 54.840 -0.218 0.000 0.747 560 L CB -1.196 40.557 42.059 -0.510 0.000 0.896 560 L HN -0.154 nan 8.230 nan 0.000 0.432 561 E N -0.510 119.679 120.200 -0.018 0.000 2.106 561 E HA -0.209 4.139 4.350 -0.003 0.000 0.192 561 E C 2.162 178.791 176.600 0.047 0.000 0.984 561 E CA 1.232 57.653 56.400 0.034 0.000 0.806 561 E CB -0.664 29.052 29.700 0.027 0.000 0.750 561 E HN 0.444 nan 8.360 nan 0.000 0.458 562 L N 1.320 122.536 121.223 -0.013 0.000 2.046 562 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 562 L C 2.237 179.050 176.870 -0.095 0.000 1.077 562 L CA 1.726 56.525 54.840 -0.068 0.000 0.747 562 L CB -0.190 41.805 42.059 -0.108 0.000 0.896 562 L HN -0.071 nan 8.230 nan 0.000 0.432 563 R N -1.966 118.503 120.500 -0.053 0.000 2.081 563 R HA -0.214 4.124 4.340 -0.003 0.000 0.235 563 R C 2.285 178.655 176.300 0.117 0.000 1.131 563 R CA 1.770 57.893 56.100 0.037 0.000 0.960 563 R CB -0.770 29.600 30.300 0.117 0.000 0.856 563 R HN 0.400 nan 8.270 nan 0.000 0.436 564 Y N 2.037 122.326 120.300 -0.018 0.000 2.207 564 Y HA -0.301 4.247 4.550 -0.003 0.000 0.287 564 Y C 2.314 178.208 175.900 -0.011 0.000 1.156 564 Y CA 1.845 59.938 58.100 -0.011 0.000 1.182 564 Y CB -0.104 38.344 38.460 -0.020 0.000 0.979 564 Y HN -0.147 nan 8.280 nan 0.000 0.521 565 K N 0.233 120.655 120.400 0.037 0.000 2.097 565 K HA -0.134 4.184 4.320 -0.003 0.000 0.206 565 K C 1.384 177.928 176.600 -0.093 0.000 1.049 565 K CA 2.054 58.313 56.287 -0.048 0.000 0.933 565 K CB -0.211 32.272 32.500 -0.028 0.000 0.717 565 K HN 0.324 nan 8.250 nan 0.000 0.442 566 N N -0.180 118.480 118.700 -0.067 0.000 2.250 566 N HA 0.123 4.861 4.740 -0.003 0.000 0.190 566 N C -0.404 175.162 175.510 0.093 0.000 1.116 566 N CA 0.470 53.505 53.050 -0.025 0.000 0.881 566 N CB 0.469 38.859 38.487 -0.161 0.000 1.006 566 N HN 0.186 nan 8.380 nan 0.000 0.491 567 A N 1.087 123.942 122.820 0.059 0.000 2.520 567 A HA 0.073 4.391 4.320 -0.003 0.000 0.235 567 A C -0.468 177.095 177.584 -0.034 0.000 1.065 567 A CA -0.136 51.871 52.037 -0.049 0.000 0.764 567 A CB -0.301 18.653 19.000 -0.077 0.000 1.002 567 A HN 0.144 nan 8.150 nan 0.000 0.502 568 Y N 1.301 121.585 120.300 -0.028 0.000 2.895 568 Y HA 0.121 4.669 4.550 -0.003 0.000 0.334 568 Y C 1.281 177.255 175.900 0.123 0.000 1.261 568 Y CA 1.091 59.221 58.100 0.051 0.000 1.560 568 Y CB 0.051 38.526 38.460 0.025 0.000 1.253 568 Y HN 0.632 nan 8.280 nan 0.000 0.582 569 R N 3.369 123.998 120.500 0.214 0.000 2.836 569 R HA 0.437 4.775 4.340 -0.003 0.000 0.269 569 R C -2.872 173.063 176.300 -0.609 0.000 1.010 569 R CA -2.378 53.619 56.100 -0.170 0.000 0.930 569 R CB 1.610 31.806 30.300 -0.173 0.000 1.218 569 R HN 0.258 nan 8.270 nan 0.000 0.473 570 P HA -0.038 nan 4.420 nan 0.000 0.262 570 P C 0.435 177.509 177.300 -0.378 0.000 1.182 570 P CA 1.355 63.830 63.100 -1.041 0.000 0.761 570 P CB 0.507 31.766 31.700 -0.734 0.000 0.795 571 G N 2.055 110.744 108.800 -0.184 0.000 2.254 571 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.225 571 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.225 571 G C 0.060 174.951 174.900 -0.015 0.000 1.003 571 G CA -0.319 44.737 45.100 -0.073 0.000 0.622 571 G HN 0.491 nan 8.290 nan 0.000 0.507 572 D N 1.383 121.792 120.400 0.016 0.000 2.358 572 D HA 0.569 5.207 4.640 -0.003 0.000 0.244 572 D C 0.962 177.282 176.300 0.034 0.000 1.163 572 D CA 1.161 55.201 54.000 0.066 0.000 0.945 572 D CB 1.210 42.110 40.800 0.167 0.000 1.152 572 D HN 0.584 nan 8.370 nan 0.000 0.451 573 T N -2.117 112.447 114.554 0.017 0.000 2.916 573 T HA 0.527 4.875 4.350 -0.003 0.000 0.292 573 T C 0.049 174.713 174.700 -0.060 0.000 1.055 573 T CA -1.095 60.969 62.100 -0.061 0.000 1.009 573 T CB 1.452 70.307 68.868 -0.021 0.000 1.118 573 T HN 0.363 nan 8.240 nan 0.000 0.497 574 N N 0.660 119.250 118.700 -0.182 0.000 2.366 574 N HA 0.368 5.106 4.740 -0.003 0.000 0.277 574 N C -2.166 173.359 175.510 0.025 0.000 1.275 574 N CA -2.137 50.870 53.050 -0.071 0.000 0.964 574 N CB -0.756 37.578 38.487 -0.256 0.000 1.167 574 N HN 0.242 nan 8.380 nan 0.000 0.568 575 P HA -0.059 nan 4.420 nan 0.000 0.222 575 P C 0.580 177.898 177.300 0.030 0.000 1.147 575 P CA 1.597 64.729 63.100 0.054 0.000 0.790 575 P CB -0.141 31.586 31.700 0.045 0.000 0.780 576 T N -5.471 109.078 114.554 -0.009 0.000 3.188 576 T HA 0.375 4.723 4.350 -0.003 0.000 0.250 576 T C 1.389 176.090 174.700 0.001 0.000 1.077 576 T CA 0.316 62.418 62.100 0.002 0.000 0.967 576 T CB -0.852 68.008 68.868 -0.012 0.000 1.006 576 T HN 0.208 nan 8.240 nan 0.000 0.552 577 G N 0.895 109.694 108.800 -0.002 0.000 2.157 577 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.248 577 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.248 577 G C -0.222 174.667 174.900 -0.019 0.000 0.979 577 G CA 0.176 45.276 45.100 -0.001 0.000 0.650 577 G HN 0.898 nan 8.290 nan 0.000 0.529 578 Q N 0.380 120.153 119.800 -0.043 0.000 2.230 578 Q HA 0.540 4.878 4.340 -0.003 0.000 0.253 578 Q C 0.038 175.978 176.000 -0.100 0.000 0.919 578 Q CA -0.590 55.184 55.803 -0.049 0.000 0.908 578 Q CB 0.848 29.572 28.738 -0.023 0.000 1.245 578 Q HN 0.433 nan 8.270 nan 0.000 0.437 579 E N 4.344 124.507 120.200 -0.062 0.000 2.316 579 E HA 0.217 4.565 4.350 -0.003 0.000 0.275 579 E C -2.189 174.313 176.600 -0.163 0.000 1.029 579 E CA -1.865 54.495 56.400 -0.067 0.000 0.871 579 E CB 0.723 30.445 29.700 0.037 0.000 1.022 579 E HN 0.418 nan 8.360 nan 0.000 0.418 580 P HA -0.084 nan 4.420 nan 0.000 0.268 580 P C 0.118 177.127 177.300 -0.485 0.000 1.208 580 P CA 0.088 62.864 63.100 -0.540 0.000 0.777 580 P CB 0.591 31.730 31.700 -0.934 0.000 0.875 581 E N 1.641 121.679 120.200 -0.270 0.000 2.318 581 E HA 0.004 4.352 4.350 -0.003 0.000 0.193 581 E C 0.357 176.824 176.600 -0.220 0.000 0.998 581 E CA 0.739 57.061 56.400 -0.130 0.000 0.859 581 E CB -0.209 29.530 29.700 0.065 0.000 0.812 581 E HN 0.285 nan 8.360 nan 0.000 0.492 582 V N -2.628 117.011 119.914 -0.458 0.000 3.181 582 V HA 0.662 4.780 4.120 -0.003 0.000 0.308 582 V C -1.209 174.325 176.094 -0.932 0.000 1.214 582 V CA -1.235 60.819 62.300 -0.410 0.000 1.053 582 V CB 1.490 33.263 31.823 -0.084 0.000 1.069 582 V HN -0.044 nan 8.190 nan 0.000 0.441 583 F N 1.295 121.131 119.950 -0.191 0.000 2.660 583 F HA 0.513 5.038 4.527 -0.003 0.000 0.352 583 F C 1.062 176.660 175.800 -0.337 0.000 1.257 583 F CA 0.047 57.898 58.000 -0.248 0.000 1.200 583 F CB 1.622 40.560 39.000 -0.104 0.000 1.473 583 F HN 0.656 nan 8.300 nan 0.000 0.561 584 S N -0.664 114.737 115.700 -0.498 0.000 2.524 584 S HA 0.140 4.608 4.470 -0.003 0.000 0.215 584 S C 1.545 175.986 174.600 -0.264 0.000 0.986 584 S CA -0.052 57.754 58.200 -0.657 0.000 0.911 584 S CB -0.037 62.612 63.200 -0.918 0.000 0.805 584 S HN 0.528 nan 8.310 nan 0.000 0.501 585 L N 1.371 122.477 121.223 -0.194 0.000 2.017 585 L HA 0.039 4.377 4.340 -0.003 0.000 0.208 585 L C -0.750 176.118 176.870 -0.004 0.000 1.073 585 L CA 1.221 56.005 54.840 -0.092 0.000 0.745 585 L CB -1.562 40.427 42.059 -0.116 0.000 0.894 585 L HN 0.228 nan 8.230 nan 0.000 0.432 586 P HA -0.140 nan 4.420 nan 0.000 0.215 586 P C 0.905 178.331 177.300 0.210 0.000 1.153 586 P CA 1.289 64.446 63.100 0.095 0.000 0.853 586 P CB 0.030 31.694 31.700 -0.060 0.000 0.788 587 D N -1.297 119.178 120.400 0.125 0.000 2.104 587 D HA -0.146 4.492 4.640 -0.003 0.000 0.194 587 D C 1.956 178.317 176.300 0.102 0.000 0.994 587 D CA 1.311 55.394 54.000 0.139 0.000 0.830 587 D CB -0.601 40.315 40.800 0.193 0.000 0.959 587 D HN 0.142 nan 8.370 nan 0.000 0.452 588 M N -0.267 119.368 119.600 0.057 0.000 2.117 588 M HA -0.098 4.380 4.480 -0.003 0.000 0.262 588 M C 2.264 178.583 176.300 0.032 0.000 1.065 588 M CA 0.965 56.283 55.300 0.029 0.000 1.114 588 M CB -0.121 32.473 32.600 -0.010 0.000 1.361 588 M HN 0.019 nan 8.290 nan 0.000 0.408 589 I N 0.038 120.649 120.570 0.068 0.000 2.226 589 I HA -0.302 3.866 4.170 -0.003 0.000 0.245 589 I C 1.889 178.007 176.117 0.002 0.000 1.100 589 I CA 1.102 62.436 61.300 0.057 0.000 1.374 589 I CB -0.554 37.555 38.000 0.182 0.000 1.057 589 I HN 0.250 nan 8.210 nan 0.000 0.413 590 D N 0.550 120.971 120.400 0.036 0.000 2.144 590 D HA -0.195 4.443 4.640 -0.003 0.000 0.199 590 D C 2.232 178.526 176.300 -0.010 0.000 0.984 590 D CA 1.272 55.251 54.000 -0.035 0.000 0.834 590 D CB -0.179 40.642 40.800 0.034 0.000 0.955 590 D HN 0.462 nan 8.370 nan 0.000 0.465 591 Q N -0.391 119.422 119.800 0.021 0.000 2.230 591 Q HA -0.053 4.285 4.340 -0.003 0.000 0.202 591 Q C 2.075 178.083 176.000 0.013 0.000 0.963 591 Q CA 0.310 56.125 55.803 0.020 0.000 0.866 591 Q CB 0.115 28.872 28.738 0.032 0.000 0.931 591 Q HN 0.169 nan 8.270 nan 0.000 0.452 592 L N 0.613 121.840 121.223 0.007 0.000 2.240 592 L HA -0.043 4.295 4.340 -0.003 0.000 0.211 592 L C 2.252 179.149 176.870 0.045 0.000 1.106 592 L CA 1.322 56.171 54.840 0.015 0.000 0.793 592 L CB -0.325 41.730 42.059 -0.007 0.000 0.927 592 L HN 0.008 nan 8.230 nan 0.000 0.446 593 R N 0.014 120.525 120.500 0.019 0.000 2.112 593 R HA -0.187 4.151 4.340 -0.003 0.000 0.242 593 R C -0.481 175.876 176.300 0.095 0.000 1.137 593 R CA 2.372 58.506 56.100 0.055 0.000 0.944 593 R CB -1.454 28.827 30.300 -0.031 0.000 0.857 593 R HN 0.320 nan 8.270 nan 0.000 0.435 594 P HA -0.145 nan 4.420 nan 0.000 0.215 594 P C 0.491 177.814 177.300 0.038 0.000 1.153 594 P CA 1.664 64.781 63.100 0.029 0.000 0.853 594 P CB -0.010 31.698 31.700 0.014 0.000 0.788 595 K N -1.850 118.583 120.400 0.055 0.000 2.097 595 K HA -0.173 4.145 4.320 -0.003 0.000 0.205 595 K C 2.261 178.913 176.600 0.088 0.000 1.050 595 K CA 1.159 57.479 56.287 0.056 0.000 0.938 595 K CB -0.699 31.833 32.500 0.053 0.000 0.718 595 K HN 0.118 nan 8.250 nan 0.000 0.442 596 Y N 2.160 122.454 120.300 -0.010 0.000 2.145 596 Y HA -0.250 4.298 4.550 -0.003 0.000 0.286 596 Y C 2.202 178.096 175.900 -0.009 0.000 1.145 596 Y CA 1.521 59.617 58.100 -0.007 0.000 1.148 596 Y CB -0.110 38.345 38.460 -0.009 0.000 0.981 596 Y HN 0.027 nan 8.280 nan 0.000 0.507 597 Q N 0.266 120.001 119.800 -0.109 0.000 2.084 597 Q HA -0.158 4.180 4.340 -0.003 0.000 0.202 597 Q C 2.573 178.480 176.000 -0.156 0.000 0.978 597 Q CA 1.577 57.260 55.803 -0.200 0.000 0.844 597 Q CB -0.951 27.746 28.738 -0.068 0.000 0.898 597 Q HN 0.628 nan 8.270 nan 0.000 0.426 598 A N 0.931 123.703 122.820 -0.080 0.000 1.933 598 A HA -0.055 4.263 4.320 -0.003 0.000 0.218 598 A C 2.314 179.856 177.584 -0.070 0.000 1.175 598 A CA 1.788 53.790 52.037 -0.059 0.000 0.628 598 A CB -0.576 18.409 19.000 -0.026 0.000 0.814 598 A HN 0.359 nan 8.150 nan 0.000 0.444 599 A N -0.263 122.511 122.820 -0.077 0.000 1.930 599 A HA 0.001 4.319 4.320 -0.003 0.000 0.217 599 A C 2.150 179.666 177.584 -0.112 0.000 1.175 599 A CA 1.376 53.373 52.037 -0.066 0.000 0.627 599 A CB -0.549 18.439 19.000 -0.020 0.000 0.815 599 A HN 0.466 nan 8.150 nan 0.000 0.443 600 L N -0.753 120.338 121.223 -0.219 0.000 2.046 600 L HA -0.228 4.110 4.340 -0.003 0.000 0.208 600 L C 2.606 179.401 176.870 -0.125 0.000 1.077 600 L CA 1.799 56.510 54.840 -0.215 0.000 0.747 600 L CB -0.595 41.257 42.059 -0.346 0.000 0.896 600 L HN 0.463 nan 8.230 nan 0.000 0.432 601 E N -0.063 120.070 120.200 -0.112 0.000 2.077 601 E HA -0.272 4.076 4.350 -0.003 0.000 0.193 601 E C 2.157 178.727 176.600 -0.050 0.000 0.989 601 E CA 1.224 57.581 56.400 -0.071 0.000 0.800 601 E CB -0.043 29.620 29.700 -0.061 0.000 0.746 601 E HN 0.309 nan 8.360 nan 0.000 0.452 602 K N 0.728 121.100 120.400 -0.047 0.000 2.057 602 K HA -0.129 4.189 4.320 -0.003 0.000 0.207 602 K C 2.163 178.749 176.600 -0.024 0.000 1.049 602 K CA 1.130 57.399 56.287 -0.029 0.000 0.931 602 K CB -0.105 32.381 32.500 -0.023 0.000 0.714 602 K HN 0.100 nan 8.250 nan 0.000 0.440 603 A N 1.166 123.968 122.820 -0.031 0.000 1.908 603 A HA -0.236 4.082 4.320 -0.003 0.000 0.218 603 A C 2.031 179.605 177.584 -0.016 0.000 1.181 603 A CA 1.670 53.696 52.037 -0.019 0.000 0.627 603 A CB -0.563 18.422 19.000 -0.024 0.000 0.818 603 A HN 0.493 nan 8.150 nan 0.000 0.445 604 Q N -0.364 119.420 119.800 -0.026 0.000 2.050 604 Q HA -0.157 4.181 4.340 -0.003 0.000 0.202 604 Q C 2.119 178.111 176.000 -0.012 0.000 0.980 604 Q CA 1.773 57.564 55.803 -0.020 0.000 0.840 604 Q CB -0.195 28.526 28.738 -0.028 0.000 0.898 604 Q HN 0.635 nan 8.270 nan 0.000 0.424 605 K N 0.632 121.023 120.400 -0.015 0.000 2.097 605 K HA -0.153 4.165 4.320 -0.003 0.000 0.206 605 K C 1.585 178.182 176.600 -0.006 0.000 1.049 605 K CA 1.266 57.546 56.287 -0.011 0.000 0.933 605 K CB 0.063 32.555 32.500 -0.014 0.000 0.717 605 K HN 0.257 nan 8.250 nan 0.000 0.442 606 E N 0.367 120.565 120.200 -0.004 0.000 2.472 606 E HA 0.072 4.420 4.350 -0.003 0.000 0.196 606 E C -0.177 176.430 176.600 0.012 0.000 1.033 606 E CA -0.243 56.157 56.400 0.000 0.000 0.886 606 E CB 0.689 30.388 29.700 -0.002 0.000 0.944 606 E HN 0.047 nan 8.360 nan 0.000 0.492 607 S N 1.419 117.128 115.700 0.016 0.000 2.568 607 S HA 0.102 4.570 4.470 -0.003 0.000 0.282 607 S C 0.447 175.068 174.600 0.034 0.000 1.338 607 S CA 0.009 58.228 58.200 0.032 0.000 1.045 607 S CB 0.873 64.087 63.200 0.023 0.000 0.873 607 S HN 0.309 nan 8.310 nan 0.000 0.516 608 T N -1.366 113.223 114.554 0.058 0.000 2.858 608 T HA 0.716 5.064 4.350 -0.003 0.000 0.285 608 T C 1.198 175.934 174.700 0.060 0.000 1.052 608 T CA -0.366 61.767 62.100 0.055 0.000 1.009 608 T CB 0.991 69.899 68.868 0.067 0.000 1.241 608 T HN 0.421 nan 8.240 nan 0.000 0.542 609 A N 0.555 123.406 122.820 0.052 0.000 1.940 609 A HA -0.004 4.314 4.320 -0.003 0.000 0.219 609 A C 2.314 179.923 177.584 0.042 0.000 1.176 609 A CA 2.521 54.581 52.037 0.040 0.000 0.631 609 A CB -1.595 17.425 19.000 0.033 0.000 0.814 609 A HN 1.141 nan 8.150 nan 0.000 0.446 610 T N -4.880 109.724 114.554 0.084 0.000 2.990 610 T HA 0.197 4.545 4.350 -0.003 0.000 0.249 610 T C 0.260 174.917 174.700 -0.072 0.000 1.039 610 T CA 0.399 62.522 62.100 0.039 0.000 1.036 610 T CB -0.185 68.745 68.868 0.103 0.000 0.994 610 T HN 0.416 nan 8.240 nan 0.000 0.489 611 H N 1.644 120.718 119.070 0.005 0.000 2.718 611 H HA 0.541 5.094 4.556 -0.003 0.000 0.295 611 H C -0.599 174.731 175.328 0.004 0.000 1.051 611 H CA -0.730 55.321 56.048 0.006 0.000 1.260 611 H CB 0.770 30.535 29.762 0.005 0.000 1.403 611 H HN -0.042 nan 8.280 nan 0.000 0.488 612 K N 3.152 123.580 120.400 0.046 0.000 2.211 612 K HA 0.334 4.652 4.320 -0.003 0.000 0.275 612 K C -0.064 176.557 176.600 0.034 0.000 1.024 612 K CA -0.501 55.805 56.287 0.033 0.000 0.887 612 K CB 1.739 34.243 32.500 0.007 0.000 1.084 612 K HN 0.518 nan 8.250 nan 0.000 0.463 613 K N 0.714 121.134 120.400 0.032 0.000 2.110 613 K HA 0.622 4.940 4.320 -0.003 0.000 0.263 613 K C 0.216 176.825 176.600 0.014 0.000 0.975 613 K CA -0.712 55.591 56.287 0.026 0.000 0.895 613 K CB 1.764 34.278 32.500 0.023 0.000 1.060 613 K HN 0.753 nan 8.250 nan 0.000 0.448 614 G N 0.188 108.999 108.800 0.017 0.000 2.695 614 G HA2 0.577 4.535 3.960 -0.003 0.000 0.290 614 G HA3 0.577 4.535 3.960 -0.003 0.000 0.290 614 G C -1.622 173.295 174.900 0.027 0.000 1.410 614 G CA -0.508 44.602 45.100 0.016 0.000 0.844 614 G HN 0.327 nan 8.290 nan 0.000 0.478 615 V N -0.208 119.731 119.914 0.042 0.000 2.638 615 V HA 0.855 4.973 4.120 -0.003 0.000 0.306 615 V C 0.418 176.600 176.094 0.147 0.000 1.052 615 V CA -0.236 62.116 62.300 0.088 0.000 0.885 615 V CB 1.653 33.514 31.823 0.064 0.000 0.999 615 V HN 1.217 nan 8.190 nan 0.000 0.424 616 G N 4.232 113.111 108.800 0.132 0.000 2.524 616 G HA2 0.786 4.744 3.960 -0.003 0.000 0.310 616 G HA3 0.786 4.744 3.960 -0.003 0.000 0.310 616 G C -1.353 173.594 174.900 0.079 0.000 1.279 616 G CA -0.532 44.626 45.100 0.096 0.000 0.974 616 G HN 0.392 nan 8.290 nan 0.000 0.484 617 I N 0.774 121.354 120.570 0.017 0.000 2.693 617 I HA 0.713 4.881 4.170 -0.003 0.000 0.303 617 I C 0.260 176.369 176.117 -0.012 0.000 1.025 617 I CA -0.830 60.454 61.300 -0.026 0.000 1.086 617 I CB 1.717 39.613 38.000 -0.172 0.000 1.268 617 I HN 0.698 nan 8.210 nan 0.000 0.440 618 S N 4.490 120.220 115.700 0.050 0.000 2.588 618 S HA 0.712 5.180 4.470 -0.003 0.000 0.269 618 S C -1.054 173.651 174.600 0.175 0.000 1.157 618 S CA -0.808 57.423 58.200 0.052 0.000 0.824 618 S CB 1.879 65.032 63.200 -0.077 0.000 1.126 618 S HN 0.379 nan 8.310 nan 0.000 0.464 619 I N 0.931 121.581 120.570 0.133 0.000 2.525 619 I HA 0.698 4.866 4.170 -0.003 0.000 0.301 619 I C 0.589 176.802 176.117 0.159 0.000 0.992 619 I CA -0.576 60.796 61.300 0.120 0.000 1.162 619 I CB 2.041 40.026 38.000 -0.026 0.000 1.332 619 I HN 0.966 nan 8.210 nan 0.000 0.458 620 G N 4.203 113.131 108.800 0.213 0.000 2.542 620 G HA2 0.703 4.661 3.960 -0.003 0.000 0.311 620 G HA3 0.703 4.661 3.960 -0.003 0.000 0.311 620 G C -1.541 173.412 174.900 0.089 0.000 1.298 620 G CA -0.361 44.860 45.100 0.201 0.000 0.973 620 G HN 0.364 nan 8.290 nan 0.000 0.487 621 V N 1.286 121.237 119.914 0.061 0.000 2.888 621 V HA 0.701 4.819 4.120 -0.003 0.000 0.309 621 V C -1.449 174.661 176.094 0.027 0.000 1.114 621 V CA -0.778 61.547 62.300 0.041 0.000 0.940 621 V CB 1.811 33.740 31.823 0.177 0.000 1.021 621 V HN 0.831 nan 8.190 nan 0.000 0.426 622 Y N 0.985 121.148 120.300 -0.229 0.000 2.624 622 Y HA 0.685 5.233 4.550 -0.003 0.000 0.334 622 Y C 0.362 176.093 175.900 -0.281 0.000 1.155 622 Y CA -0.261 57.551 58.100 -0.480 0.000 1.046 622 Y CB 2.071 40.203 38.460 -0.546 0.000 1.316 622 Y HN 0.831 nan 8.280 nan 0.000 0.457 623 G N 1.133 109.331 108.800 -1.003 0.000 2.503 623 G HA2 0.451 4.409 3.960 -0.003 0.000 0.257 623 G HA3 0.451 4.409 3.960 -0.003 0.000 0.257 623 G C -1.069 173.285 174.900 -0.909 0.000 1.214 623 G CA -0.483 43.792 45.100 -1.375 0.000 0.839 623 G HN 0.492 nan 8.290 nan 0.000 0.559 624 S N 0.147 115.470 115.700 -0.629 0.000 2.532 624 S HA 0.759 5.227 4.470 -0.003 0.000 0.318 624 S C 0.400 174.868 174.600 -0.219 0.000 1.083 624 S CA 0.248 58.252 58.200 -0.325 0.000 1.131 624 S CB 0.786 63.875 63.200 -0.186 0.000 0.973 624 S HN 1.600 nan 8.310 nan 0.000 0.468 625 G N 2.117 110.822 108.800 -0.159 0.000 2.326 625 G HA2 0.129 4.087 3.960 -0.003 0.000 0.413 625 G HA3 0.129 4.087 3.960 -0.003 0.000 0.413 625 G C -1.531 173.463 174.900 0.157 0.000 1.444 625 G CA -1.189 43.935 45.100 0.040 0.000 1.002 625 G HN 0.557 nan 8.290 nan 0.000 0.649 626 L N 0.498 121.813 121.223 0.155 0.000 2.418 626 L HA 0.368 4.706 4.340 -0.003 0.000 0.265 626 L C 0.271 177.226 176.870 0.142 0.000 1.143 626 L CA -0.830 54.125 54.840 0.192 0.000 0.809 626 L CB 0.592 42.717 42.059 0.110 0.000 1.124 626 L HN 0.543 nan 8.230 nan 0.000 0.456 627 D N 1.396 121.828 120.400 0.053 0.000 2.472 627 D HA 0.377 5.015 4.640 -0.003 0.000 0.237 627 D C 0.686 176.649 176.300 -0.561 0.000 1.141 627 D CA 1.383 55.146 54.000 -0.395 0.000 0.875 627 D CB 0.559 41.224 40.800 -0.225 0.000 1.192 627 D HN 0.816 nan 8.370 nan 0.000 0.450 628 G N 2.295 110.639 108.800 -0.760 0.000 2.632 628 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.224 628 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.224 628 G C -2.471 172.212 174.900 -0.362 0.000 1.341 628 G CA -0.767 43.862 45.100 -0.785 0.000 0.880 628 G HN 0.506 nan 8.290 nan 0.000 0.566 629 P HA 0.253 nan 4.420 nan 0.000 0.230 629 P C -0.324 176.899 177.300 -0.128 0.000 1.791 629 P CA -0.029 62.968 63.100 -0.171 0.000 1.020 629 P CB 0.147 31.762 31.700 -0.142 0.000 1.977 630 D N 2.093 122.433 120.400 -0.101 0.000 2.378 630 D HA 0.335 4.973 4.640 -0.003 0.000 0.238 630 D C -0.197 176.075 176.300 -0.047 0.000 1.180 630 D CA 0.366 54.340 54.000 -0.043 0.000 0.895 630 D CB 0.752 41.555 40.800 0.004 0.000 1.192 630 D HN 0.323 nan 8.370 nan 0.000 0.438 631 A N 0.796 123.603 122.820 -0.022 0.000 2.610 631 A HA 0.617 4.935 4.320 -0.003 0.000 0.291 631 A C -1.009 176.575 177.584 0.001 0.000 1.086 631 A CA -0.466 51.563 52.037 -0.012 0.000 0.677 631 A CB 1.661 20.623 19.000 -0.062 0.000 1.278 631 A HN 0.449 nan 8.150 nan 0.000 0.414 632 S N -0.755 114.964 115.700 0.032 0.000 2.671 632 S HA 0.768 5.235 4.470 -0.003 0.000 0.277 632 S C -1.509 173.092 174.600 0.001 0.000 1.165 632 S CA -0.168 58.021 58.200 -0.019 0.000 0.822 632 S CB 1.818 64.988 63.200 -0.050 0.000 1.150 632 S HN 1.060 nan 8.310 nan 0.000 0.479 633 E N 0.085 120.257 120.200 -0.047 0.000 2.366 633 E HA 0.707 5.055 4.350 -0.003 0.000 0.278 633 E C -1.602 174.932 176.600 -0.110 0.000 0.923 633 E CA -0.819 55.567 56.400 -0.024 0.000 0.761 633 E CB 1.923 31.624 29.700 0.001 0.000 1.231 633 E HN 0.866 nan 8.360 nan 0.000 0.443 634 A N 2.864 125.653 122.820 -0.051 0.000 2.587 634 A HA 0.726 5.044 4.320 -0.003 0.000 0.293 634 A C -1.992 175.649 177.584 0.096 0.000 1.087 634 A CA -0.780 51.197 52.037 -0.100 0.000 0.692 634 A CB 1.133 20.147 19.000 0.023 0.000 1.291 634 A HN 0.504 nan 8.150 nan 0.000 0.407 635 W N 0.366 121.755 121.300 0.148 0.000 2.656 635 W HA 0.685 5.343 4.660 -0.004 0.000 0.327 635 W C -0.058 176.595 176.519 0.223 0.000 1.041 635 W CA -1.384 56.043 57.345 0.137 0.000 1.229 635 W CB 1.616 31.097 29.460 0.035 0.000 1.397 635 W HN 1.031 nan 8.180 nan 0.000 0.479 636 A N 2.412 125.456 122.820 0.374 0.000 2.271 636 A HA 0.579 4.897 4.320 -0.003 0.000 0.317 636 A C -0.641 177.101 177.584 0.263 0.000 1.245 636 A CA -0.548 51.656 52.037 0.278 0.000 0.857 636 A CB 0.969 20.076 19.000 0.180 0.000 1.175 636 A HN 0.606 nan 8.150 nan 0.000 0.512 637 E N 2.725 123.096 120.200 0.284 0.000 2.199 637 E HA 0.459 4.807 4.350 -0.003 0.000 0.265 637 E C -1.535 175.178 176.600 0.187 0.000 0.882 637 E CA -0.751 55.801 56.400 0.253 0.000 0.759 637 E CB 1.264 31.189 29.700 0.375 0.000 1.148 637 E HN 0.598 nan 8.360 nan 0.000 0.412 638 L N 5.321 126.653 121.223 0.183 0.000 2.315 638 L HA 0.306 4.644 4.340 -0.003 0.000 0.283 638 L C -0.723 176.276 176.870 0.217 0.000 1.089 638 L CA -0.110 54.841 54.840 0.185 0.000 0.833 638 L CB 0.343 42.532 42.059 0.216 0.000 1.170 638 L HN 0.507 nan 8.230 nan 0.000 0.442 639 N N 3.704 122.442 118.700 0.064 0.000 2.463 639 N HA 0.280 5.018 4.740 -0.003 0.000 0.270 639 N C 0.893 176.091 175.510 -0.521 0.000 1.205 639 N CA 0.276 53.260 53.050 -0.110 0.000 0.974 639 N CB 1.405 39.847 38.487 -0.076 0.000 1.197 639 N HN 0.749 nan 8.380 nan 0.000 0.504 640 A N 0.628 122.898 122.820 -0.917 0.000 1.986 640 A HA -0.214 4.104 4.320 -0.003 0.000 0.220 640 A C 1.145 178.402 177.584 -0.545 0.000 1.171 640 A CA 1.991 53.224 52.037 -1.340 0.000 0.640 640 A CB -0.468 18.103 19.000 -0.714 0.000 0.811 640 A HN 0.785 nan 8.150 nan 0.000 0.451 641 D N -2.434 117.789 120.400 -0.294 0.000 2.319 641 D HA 0.302 4.940 4.640 -0.003 0.000 0.230 641 D C 1.125 177.377 176.300 -0.081 0.000 1.094 641 D CA 0.850 54.768 54.000 -0.137 0.000 0.856 641 D CB -0.569 40.177 40.800 -0.089 0.000 0.915 641 D HN 0.780 nan 8.370 nan 0.000 0.517 642 G N 0.187 108.934 108.800 -0.087 0.000 2.199 642 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.254 642 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.254 642 G C 0.592 175.490 174.900 -0.004 0.000 0.982 642 G CA 0.605 45.698 45.100 -0.012 0.000 0.632 642 G HN 0.795 nan 8.290 nan 0.000 0.529 643 T N -0.906 113.635 114.554 -0.020 0.000 2.788 643 T HA 0.669 5.017 4.350 -0.003 0.000 0.287 643 T C 0.333 175.039 174.700 0.011 0.000 1.007 643 T CA -0.202 61.895 62.100 -0.004 0.000 1.005 643 T CB 1.907 70.768 68.868 -0.013 0.000 1.012 643 T HN 0.595 nan 8.240 nan 0.000 0.530 644 I N 0.945 121.527 120.570 0.020 0.000 2.466 644 I HA 0.296 4.464 4.170 -0.003 0.000 0.289 644 I C -0.142 175.989 176.117 0.023 0.000 1.026 644 I CA -0.801 60.523 61.300 0.040 0.000 1.078 644 I CB 2.371 40.397 38.000 0.044 0.000 1.249 644 I HN 0.694 nan 8.210 nan 0.000 0.429 645 T N 5.578 120.145 114.554 0.022 0.000 2.767 645 T HA 0.371 4.718 4.350 -0.003 0.000 0.284 645 T C -0.174 174.499 174.700 -0.046 0.000 0.973 645 T CA -0.408 61.641 62.100 -0.085 0.000 0.996 645 T CB 1.440 70.179 68.868 -0.214 0.000 0.927 645 T HN 0.162 nan 8.240 nan 0.000 0.456 646 V N 5.781 125.670 119.914 -0.041 0.000 2.318 646 V HA 0.216 4.334 4.120 -0.003 0.000 0.271 646 V C 0.258 176.352 176.094 0.001 0.000 1.030 646 V CA -0.829 61.508 62.300 0.062 0.000 0.844 646 V CB -0.030 31.851 31.823 0.096 0.000 1.015 646 V HN 0.845 nan 8.190 nan 0.000 0.460 647 H N 4.015 123.139 119.070 0.091 0.000 2.723 647 H HA 0.505 5.059 4.556 -0.004 0.000 0.294 647 H C 0.434 175.646 175.328 -0.194 0.000 1.079 647 H CA 0.029 56.068 56.048 -0.015 0.000 1.411 647 H CB 1.523 31.320 29.762 0.058 0.000 1.439 647 H HN 0.747 nan 8.280 nan 0.000 0.474 648 T N -0.947 113.591 114.554 -0.028 0.000 2.816 648 T HA 0.564 4.912 4.350 -0.003 0.000 0.299 648 T C 0.079 174.776 174.700 -0.004 0.000 1.230 648 T CA -0.933 61.128 62.100 -0.065 0.000 1.007 648 T CB 1.663 70.579 68.868 0.079 0.000 1.289 648 T HN 0.449 nan 8.240 nan 0.000 0.508 649 A N 0.667 123.492 122.820 0.008 0.000 3.003 649 A HA 0.368 4.686 4.320 -0.003 0.000 0.301 649 A C -0.154 177.511 177.584 0.135 0.000 1.280 649 A CA -0.675 51.413 52.037 0.086 0.000 0.973 649 A CB -0.728 18.358 19.000 0.143 0.000 1.110 649 A HN 0.702 nan 8.150 nan 0.000 0.590 650 W N 2.228 123.489 121.300 -0.065 0.000 2.659 650 W HA 0.350 5.008 4.660 -0.004 0.000 0.342 650 W C -0.798 175.670 176.519 -0.085 0.000 1.287 650 W CA -0.695 56.603 57.345 -0.077 0.000 1.460 650 W CB -0.315 29.086 29.460 -0.098 0.000 1.503 650 W HN 0.403 nan 8.180 nan 0.000 0.483 651 E N 3.211 123.584 120.200 0.288 0.000 2.316 651 E HA -0.015 4.333 4.350 -0.003 0.000 0.275 651 E C -0.505 176.154 176.600 0.099 0.000 1.029 651 E CA 0.239 56.706 56.400 0.110 0.000 0.871 651 E CB 0.604 30.289 29.700 -0.024 0.000 1.022 651 E HN 0.106 nan 8.360 nan 0.000 0.418 652 D N 1.754 122.154 120.400 0.001 0.000 2.428 652 D HA 0.078 4.716 4.640 -0.003 0.000 0.221 652 D C 0.285 176.601 176.300 0.027 0.000 1.123 652 D CA -0.156 53.826 54.000 -0.029 0.000 0.869 652 D CB 0.273 40.981 40.800 -0.152 0.000 1.032 652 D HN 0.530 nan 8.370 nan 0.000 0.506 653 H N 2.458 121.489 119.070 -0.066 0.000 2.521 653 H HA 0.036 4.590 4.556 -0.003 0.000 0.286 653 H C 1.274 176.536 175.328 -0.110 0.000 1.034 653 H CA 0.912 56.880 56.048 -0.134 0.000 1.278 653 H CB 0.774 30.387 29.762 -0.249 0.000 1.386 653 H HN 0.666 nan 8.280 nan 0.000 0.567 654 G N 0.799 109.637 108.800 0.065 0.000 2.227 654 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.168 654 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.168 654 G C 1.272 176.160 174.900 -0.019 0.000 1.006 654 G CA 0.361 45.483 45.100 0.037 0.000 0.684 654 G HN 0.423 nan 8.290 nan 0.000 0.489 655 Q N 1.322 121.098 119.800 -0.041 0.000 2.297 655 Q HA 0.298 4.636 4.340 -0.003 0.000 0.204 655 Q C 1.474 177.407 176.000 -0.110 0.000 0.962 655 Q CA 2.106 57.871 55.803 -0.063 0.000 0.879 655 Q CB -0.176 28.527 28.738 -0.057 0.000 0.947 655 Q HN 1.868 nan 8.270 nan 0.000 0.462 656 G N 0.078 108.761 108.800 -0.195 0.000 2.244 656 G HA2 0.033 3.991 3.960 -0.003 0.000 0.163 656 G HA3 0.033 3.991 3.960 -0.003 0.000 0.163 656 G C 0.660 175.196 174.900 -0.606 0.000 1.064 656 G CA 0.234 45.139 45.100 -0.325 0.000 0.757 656 G HN 0.559 nan 8.290 nan 0.000 0.484 657 A N 0.831 123.189 122.820 -0.769 0.000 1.940 657 A HA -0.005 4.313 4.320 -0.003 0.000 0.219 657 A C 2.276 179.039 177.584 -1.368 0.000 1.176 657 A CA 2.508 53.647 52.037 -1.496 0.000 0.631 657 A CB -0.326 17.986 19.000 -1.147 0.000 0.814 657 A HN 0.794 nan 8.150 nan 0.000 0.446 658 D N 0.227 119.946 120.400 -1.136 0.000 2.084 658 D HA -0.172 4.465 4.640 -0.003 0.000 0.194 658 D C 1.680 177.521 176.300 -0.764 0.000 0.990 658 D CA 1.534 54.751 54.000 -1.305 0.000 0.826 658 D CB -0.779 39.136 40.800 -1.475 0.000 0.971 658 D HN 0.391 nan 8.370 nan 0.000 0.453 659 I N 1.313 121.542 120.570 -0.569 0.000 2.439 659 I HA 0.095 4.263 4.170 -0.003 0.000 0.251 659 I C 2.263 178.177 176.117 -0.338 0.000 1.139 659 I CA 1.201 62.292 61.300 -0.349 0.000 1.438 659 I CB -0.586 37.258 38.000 -0.259 0.000 1.085 659 I HN 0.090 nan 8.210 nan 0.000 0.427 660 G N -0.287 108.195 108.800 -0.529 0.000 2.440 660 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.218 660 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.218 660 G C 1.744 176.532 174.900 -0.186 0.000 1.154 660 G CA 1.102 45.961 45.100 -0.401 0.000 0.767 660 G HN 0.495 nan 8.290 nan 0.000 0.552 661 C N -0.339 118.709 119.300 -0.420 0.000 2.436 661 C HA -0.002 4.456 4.460 -0.003 0.000 0.277 661 C C 3.109 178.114 174.990 0.025 0.000 1.241 661 C CA 0.867 59.853 59.018 -0.053 0.000 1.721 661 C CB -0.887 26.772 27.740 -0.134 0.000 2.043 661 C HN 0.287 nan 8.230 nan 0.000 0.472 662 V N 1.016 120.898 119.914 -0.054 0.000 2.358 662 V HA -0.071 4.047 4.120 -0.003 0.000 0.246 662 V C 2.625 178.746 176.094 0.046 0.000 1.047 662 V CA 2.390 64.697 62.300 0.012 0.000 1.035 662 V CB -1.464 30.357 31.823 -0.004 0.000 0.658 662 V HN 0.675 nan 8.190 nan 0.000 0.452 663 G N -0.534 108.278 108.800 0.021 0.000 2.418 663 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.217 663 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.217 663 G C 1.701 176.806 174.900 0.342 0.000 1.158 663 G CA 1.520 46.673 45.100 0.089 0.000 0.771 663 G HN 0.472 nan 8.290 nan 0.000 0.545 664 T N 1.630 116.424 114.554 0.400 0.000 2.737 664 T HA 0.071 4.419 4.350 -0.003 0.000 0.265 664 T C 2.837 177.735 174.700 0.328 0.000 1.038 664 T CA 1.420 63.842 62.100 0.537 0.000 1.144 664 T CB -0.368 68.802 68.868 0.503 0.000 0.866 664 T HN 0.351 nan 8.240 nan 0.000 0.434 665 A N 1.535 124.491 122.820 0.228 0.000 1.902 665 A HA -0.208 4.110 4.320 -0.003 0.000 0.217 665 A C 2.171 179.814 177.584 0.098 0.000 1.181 665 A CA 1.756 53.882 52.037 0.149 0.000 0.623 665 A CB -0.989 18.084 19.000 0.120 0.000 0.818 665 A HN 0.649 nan 8.150 nan 0.000 0.443 666 H N -0.244 118.840 119.070 0.022 0.000 2.319 666 H HA -0.177 4.377 4.556 -0.003 0.000 0.299 666 H C 2.085 177.369 175.328 -0.073 0.000 1.092 666 H CA 2.217 58.241 56.048 -0.040 0.000 1.302 666 H CB -0.071 29.638 29.762 -0.088 0.000 1.373 666 H HN 0.537 nan 8.280 nan 0.000 0.497 667 E N 0.726 120.928 120.200 0.004 0.000 2.077 667 E HA -0.099 4.249 4.350 -0.003 0.000 0.193 667 E C 2.300 178.721 176.600 -0.298 0.000 0.989 667 E CA 1.605 57.823 56.400 -0.303 0.000 0.800 667 E CB -0.508 28.703 29.700 -0.815 0.000 0.746 667 E HN 0.489 nan 8.360 nan 0.000 0.452 668 A N -0.067 122.726 122.820 -0.047 0.000 2.015 668 A HA -0.029 4.289 4.320 -0.003 0.000 0.219 668 A C 2.027 179.593 177.584 -0.030 0.000 1.163 668 A CA 1.048 53.140 52.037 0.093 0.000 0.646 668 A CB -0.349 18.762 19.000 0.186 0.000 0.806 668 A HN 0.336 nan 8.150 nan 0.000 0.448 669 L N -1.293 119.862 121.223 -0.114 0.000 2.607 669 L HA 0.113 4.451 4.340 -0.003 0.000 0.228 669 L C 2.242 178.967 176.870 -0.242 0.000 1.123 669 L CA -0.125 54.619 54.840 -0.160 0.000 0.890 669 L CB -0.165 41.803 42.059 -0.151 0.000 1.103 669 L HN 0.309 nan 8.230 nan 0.000 0.468 670 R N 0.747 121.085 120.500 -0.270 0.000 2.117 670 R HA -0.181 4.157 4.340 -0.003 0.000 0.243 670 R C -0.406 175.797 176.300 -0.162 0.000 1.143 670 R CA 1.480 57.422 56.100 -0.263 0.000 0.968 670 R CB -1.434 28.734 30.300 -0.220 0.000 0.863 670 R HN 0.325 nan 8.270 nan 0.000 0.444 671 P HA -0.143 nan 4.420 nan 0.000 0.219 671 P C 1.044 178.281 177.300 -0.105 0.000 1.146 671 P CA 1.299 64.384 63.100 -0.025 0.000 0.808 671 P CB 0.062 31.802 31.700 0.067 0.000 0.779 672 M N -2.015 117.378 119.600 -0.345 0.000 2.428 672 M HA 0.279 4.757 4.480 -0.003 0.000 0.239 672 M C 0.384 176.519 176.300 -0.275 0.000 1.121 672 M CA 0.338 55.285 55.300 -0.588 0.000 1.019 672 M CB 0.021 32.126 32.600 -0.826 0.000 1.485 672 M HN 0.005 nan 8.290 nan 0.000 0.484 673 G N 1.796 110.482 108.800 -0.191 0.000 2.333 673 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.296 673 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.296 673 G C -0.437 174.396 174.900 -0.112 0.000 1.059 673 G CA 0.109 45.134 45.100 -0.124 0.000 1.050 673 G HN 0.347 nan 8.290 nan 0.000 0.508 674 V N 0.776 120.590 119.914 -0.166 0.000 2.385 674 V HA 0.651 4.769 4.120 -0.003 0.000 0.269 674 V C 1.100 177.186 176.094 -0.014 0.000 1.043 674 V CA -0.321 61.920 62.300 -0.098 0.000 0.906 674 V CB 0.981 32.736 31.823 -0.113 0.000 0.995 674 V HN 1.169 nan 8.190 nan 0.000 0.467 675 A N 8.624 131.474 122.820 0.051 0.000 2.445 675 A HA 0.405 4.723 4.320 -0.003 0.000 0.242 675 A C -0.686 176.972 177.584 0.124 0.000 1.075 675 A CA -0.873 51.230 52.037 0.111 0.000 0.777 675 A CB 0.042 19.084 19.000 0.070 0.000 1.013 675 A HN 0.690 nan 8.150 nan 0.000 0.493 676 P HA -0.194 nan 4.420 nan 0.000 0.218 676 P C 1.006 178.322 177.300 0.026 0.000 1.149 676 P CA 1.478 64.530 63.100 -0.080 0.000 0.817 676 P CB 0.057 31.355 31.700 -0.669 0.000 0.785 677 E N 1.401 121.652 120.200 0.085 0.000 2.409 677 E HA -0.152 4.195 4.350 -0.003 0.000 0.198 677 E C 1.203 177.847 176.600 0.075 0.000 1.024 677 E CA 0.935 57.406 56.400 0.117 0.000 0.861 677 E CB -0.551 29.224 29.700 0.124 0.000 0.788 677 E HN 0.301 nan 8.360 nan 0.000 0.521 678 K N 0.593 121.028 120.400 0.059 0.000 2.404 678 K HA 0.274 4.592 4.320 -0.003 0.000 0.194 678 K C 0.354 176.975 176.600 0.035 0.000 1.023 678 K CA 0.015 56.325 56.287 0.039 0.000 1.094 678 K CB 0.421 32.940 32.500 0.031 0.000 0.841 678 K HN 0.148 nan 8.250 nan 0.000 0.523 679 I N 2.428 123.028 120.570 0.050 0.000 2.339 679 I HA 0.143 4.311 4.170 -0.003 0.000 0.290 679 I C -0.185 175.965 176.117 0.055 0.000 0.994 679 I CA -0.789 60.541 61.300 0.050 0.000 1.191 679 I CB 1.019 39.058 38.000 0.066 0.000 1.343 679 I HN -0.184 nan 8.210 nan 0.000 0.458 680 K N 6.547 126.956 120.400 0.014 0.000 2.156 680 K HA 0.580 4.898 4.320 -0.003 0.000 0.250 680 K C -0.600 175.979 176.600 -0.036 0.000 0.955 680 K CA -0.572 55.688 56.287 -0.046 0.000 0.855 680 K CB 2.094 34.519 32.500 -0.125 0.000 1.101 680 K HN 0.448 nan 8.250 nan 0.000 0.434 681 F N -1.531 118.333 119.950 -0.143 0.000 2.594 681 F HA 0.710 5.234 4.527 -0.004 0.000 0.335 681 F C 0.090 175.760 175.800 -0.216 0.000 1.058 681 F CA -1.006 56.873 58.000 -0.202 0.000 0.981 681 F CB 1.107 39.936 39.000 -0.284 0.000 1.289 681 F HN 0.408 nan 8.300 nan 0.000 0.490 682 T N -2.036 112.477 114.554 -0.069 0.000 2.863 682 T HA 0.459 4.807 4.350 -0.003 0.000 0.285 682 T C -1.286 173.436 174.700 0.036 0.000 1.009 682 T CA -0.634 61.419 62.100 -0.080 0.000 0.989 682 T CB 0.783 69.655 68.868 0.006 0.000 1.004 682 T HN 0.649 nan 8.240 nan 0.000 0.455 683 W N 2.361 123.720 121.300 0.098 0.000 2.202 683 W HA 0.422 5.080 4.660 -0.003 0.000 0.332 683 W C -2.308 174.259 176.519 0.080 0.000 1.263 683 W CA -1.876 55.548 57.345 0.131 0.000 1.223 683 W CB -0.069 29.450 29.460 0.099 0.000 1.128 683 W HN 0.480 nan 8.180 nan 0.000 0.573 684 P HA -0.021 nan 4.420 nan 0.000 0.267 684 P C -0.505 176.846 177.300 0.085 0.000 1.205 684 P CA 0.200 63.385 63.100 0.142 0.000 0.765 684 P CB 0.517 32.276 31.700 0.098 0.000 0.828 685 N N 1.857 120.581 118.700 0.041 0.000 2.503 685 N HA 0.065 4.803 4.740 -0.003 0.000 0.287 685 N C 0.625 176.085 175.510 -0.084 0.000 1.096 685 N CA -0.267 52.772 53.050 -0.017 0.000 0.936 685 N CB 1.317 39.850 38.487 0.078 0.000 1.570 685 N HN 0.229 nan 8.380 nan 0.000 0.504 686 T N 0.284 114.686 114.554 -0.254 0.000 2.962 686 T HA 0.009 4.357 4.350 -0.003 0.000 0.270 686 T C 1.526 176.170 174.700 -0.092 0.000 1.088 686 T CA 1.154 63.005 62.100 -0.416 0.000 1.127 686 T CB 0.078 68.618 68.868 -0.546 0.000 0.883 686 T HN 0.425 nan 8.240 nan 0.000 0.493 687 A N 1.739 124.537 122.820 -0.037 0.000 2.030 687 A HA 0.198 4.515 4.320 -0.003 0.000 0.215 687 A C 2.415 180.087 177.584 0.147 0.000 1.164 687 A CA 1.266 53.331 52.037 0.046 0.000 0.697 687 A CB -0.399 18.616 19.000 0.025 0.000 0.827 687 A HN 0.669 nan 8.150 nan 0.000 0.457 688 T N -3.573 111.084 114.554 0.172 0.000 3.043 688 T HA 0.267 4.615 4.350 -0.003 0.000 0.272 688 T C 0.420 175.300 174.700 0.299 0.000 0.990 688 T CA 0.654 62.909 62.100 0.258 0.000 0.897 688 T CB -0.359 68.648 68.868 0.232 0.000 1.111 688 T HN 0.500 nan 8.240 nan 0.000 0.529 689 T N 0.587 115.237 114.554 0.159 0.000 2.907 689 T HA 0.722 5.070 4.350 -0.003 0.000 0.292 689 T C -3.308 171.289 174.700 -0.172 0.000 1.043 689 T CA -2.180 59.860 62.100 -0.101 0.000 1.003 689 T CB 2.285 71.146 68.868 -0.011 0.000 1.084 689 T HN -0.113 nan 8.240 nan 0.000 0.483 690 P HA 0.206 nan 4.420 nan 0.000 0.274 690 P C -0.432 176.689 177.300 -0.299 0.000 1.237 690 P CA -0.537 62.330 63.100 -0.388 0.000 0.793 690 P CB 0.417 31.698 31.700 -0.699 0.000 0.977 691 N N 0.820 119.260 118.700 -0.434 0.000 2.744 691 N HA 0.014 4.752 4.740 -0.003 0.000 0.290 691 N C 0.515 175.803 175.510 -0.370 0.000 1.206 691 N CA 0.373 52.945 53.050 -0.796 0.000 1.119 691 N CB -0.845 37.206 38.487 -0.726 0.000 1.449 691 N HN 0.112 nan 8.380 nan 0.000 0.514 692 S N 0.661 116.205 115.700 -0.260 0.000 2.522 692 S HA 0.198 4.666 4.470 -0.003 0.000 0.227 692 S C 0.919 175.425 174.600 -0.156 0.000 0.986 692 S CA 0.391 58.487 58.200 -0.173 0.000 0.929 692 S CB -0.480 62.640 63.200 -0.133 0.000 0.769 692 S HN 0.878 nan 8.310 nan 0.000 0.529 693 G N 1.957 110.668 108.800 -0.148 0.000 2.712 693 G HA2 -0.109 3.849 3.960 -0.003 0.000 0.683 693 G HA3 -0.109 3.849 3.960 -0.003 0.000 0.683 693 G C -3.412 171.433 174.900 -0.092 0.000 1.320 693 G CA -0.967 44.067 45.100 -0.111 0.000 0.847 693 G HN 0.127 nan 8.290 nan 0.000 0.553 694 P HA 0.416 nan 4.420 nan 0.000 0.276 694 P C -0.022 177.273 177.300 -0.007 0.000 1.244 694 P CA -0.237 62.798 63.100 -0.109 0.000 0.801 694 P CB 1.228 32.797 31.700 -0.219 0.000 1.006 695 S N 0.729 116.454 115.700 0.042 0.000 4.120 695 S HA 0.452 4.920 4.470 -0.003 0.000 0.196 695 S C 0.629 175.392 174.600 0.272 0.000 1.447 695 S CA -0.305 57.991 58.200 0.160 0.000 0.939 695 S CB -0.821 62.551 63.200 0.286 0.000 1.496 695 S HN 0.699 nan 8.310 nan 0.000 0.460 696 G N -0.514 108.401 108.800 0.192 0.000 2.574 696 G HA2 0.577 4.535 3.960 -0.003 0.000 0.299 696 G HA3 0.577 4.535 3.960 -0.003 0.000 0.299 696 G C 0.490 175.376 174.900 -0.024 0.000 1.298 696 G CA -0.307 44.853 45.100 0.101 0.000 0.952 696 G HN 0.679 nan 8.290 nan 0.000 0.477 697 G N -0.229 108.520 108.800 -0.086 0.000 2.198 697 G HA2 -0.032 3.926 3.960 -0.003 0.000 0.260 697 G HA3 -0.032 3.926 3.960 -0.003 0.000 0.260 697 G C 0.789 175.654 174.900 -0.058 0.000 1.025 697 G CA 0.856 45.929 45.100 -0.046 0.000 0.769 697 G HN 1.930 nan 8.290 nan 0.000 0.507 698 S N -1.879 113.804 115.700 -0.029 0.000 3.559 698 S HA -0.299 4.169 4.470 -0.003 0.000 0.369 698 S C 1.729 176.278 174.600 -0.084 0.000 0.987 698 S CA 1.950 60.124 58.200 -0.043 0.000 1.187 698 S CB -0.879 62.306 63.200 -0.024 0.000 0.914 698 S HN 1.457 nan 8.310 nan 0.000 0.480 699 R N -0.443 120.000 120.500 -0.096 0.000 2.316 699 R HA 0.217 4.555 4.340 -0.003 0.000 0.201 699 R C 1.669 177.832 176.300 -0.229 0.000 0.888 699 R CA -0.237 55.785 56.100 -0.130 0.000 1.041 699 R CB -0.087 30.159 30.300 -0.090 0.000 1.115 699 R HN 0.313 nan 8.270 nan 0.000 0.559 700 Q N 1.263 120.870 119.800 -0.323 0.000 2.079 700 Q HA -0.165 4.173 4.340 -0.003 0.000 0.200 700 Q C 1.866 177.361 176.000 -0.842 0.000 0.974 700 Q CA 1.656 57.005 55.803 -0.757 0.000 0.840 700 Q CB -0.111 27.861 28.738 -1.275 0.000 0.898 700 Q HN 0.312 nan 8.270 nan 0.000 0.430 701 Q N 0.685 120.235 119.800 -0.417 0.000 2.096 701 Q HA -0.116 4.222 4.340 -0.003 0.000 0.204 701 Q C 1.992 177.869 176.000 -0.205 0.000 0.982 701 Q CA 1.502 57.203 55.803 -0.171 0.000 0.850 701 Q CB -0.206 28.573 28.738 0.070 0.000 0.901 701 Q HN 0.180 nan 8.270 nan 0.000 0.422 702 V N -0.274 119.509 119.914 -0.217 0.000 2.255 702 V HA -0.217 3.901 4.120 -0.003 0.000 0.243 702 V C 2.242 178.125 176.094 -0.352 0.000 1.038 702 V CA 1.807 63.955 62.300 -0.254 0.000 1.008 702 V CB -0.491 31.232 31.823 -0.166 0.000 0.645 702 V HN 0.393 nan 8.190 nan 0.000 0.449 703 M N -0.310 119.140 119.600 -0.249 0.000 2.115 703 M HA -0.067 4.410 4.480 -0.003 0.000 0.261 703 M C 2.304 178.484 176.300 -0.199 0.000 1.079 703 M CA 1.905 57.133 55.300 -0.120 0.000 1.143 703 M CB -1.684 30.883 32.600 -0.055 0.000 1.332 703 M HN 0.320 nan 8.290 nan 0.000 0.421 704 T N 0.602 114.941 114.554 -0.359 0.000 2.904 704 T HA 0.005 4.353 4.350 -0.003 0.000 0.267 704 T C 1.859 176.386 174.700 -0.289 0.000 1.059 704 T CA 1.312 63.196 62.100 -0.360 0.000 1.137 704 T CB -0.595 67.931 68.868 -0.570 0.000 0.879 704 T HN 0.595 nan 8.240 nan 0.000 0.467 705 G N 2.141 110.729 108.800 -0.354 0.000 2.446 705 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.217 705 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.217 705 G C 1.685 176.451 174.900 -0.224 0.000 1.168 705 G CA 0.606 45.624 45.100 -0.137 0.000 0.771 705 G HN 0.378 nan 8.290 nan 0.000 0.551 706 N N 1.148 119.594 118.700 -0.423 0.000 2.120 706 N HA -0.089 4.649 4.740 -0.003 0.000 0.188 706 N C 2.542 177.885 175.510 -0.279 0.000 1.024 706 N CA 1.291 53.977 53.050 -0.608 0.000 0.852 706 N CB -0.420 37.232 38.487 -1.393 0.000 1.003 706 N HN 0.308 nan 8.380 nan 0.000 0.424 707 A N 1.171 123.922 122.820 -0.115 0.000 1.902 707 A HA -0.062 4.256 4.320 -0.003 0.000 0.217 707 A C 2.356 179.950 177.584 0.017 0.000 1.181 707 A CA 0.846 52.894 52.037 0.018 0.000 0.623 707 A CB -0.601 18.413 19.000 0.023 0.000 0.818 707 A HN 0.213 nan 8.150 nan 0.000 0.443 708 I N -0.930 119.642 120.570 0.004 0.000 2.179 708 I HA -0.275 3.893 4.170 -0.003 0.000 0.242 708 I C 2.717 178.863 176.117 0.048 0.000 1.088 708 I CA 1.753 63.090 61.300 0.063 0.000 1.357 708 I CB -0.337 37.735 38.000 0.120 0.000 1.051 708 I HN 0.408 nan 8.210 nan 0.000 0.409 709 R N 0.945 121.431 120.500 -0.024 0.000 2.094 709 R HA -0.184 4.154 4.340 -0.003 0.000 0.239 709 R C 2.281 178.564 176.300 -0.029 0.000 1.137 709 R CA 2.058 58.121 56.100 -0.063 0.000 0.943 709 R CB -0.346 29.761 30.300 -0.322 0.000 0.850 709 R HN 0.162 nan 8.270 nan 0.000 0.433 710 V N 1.201 121.098 119.914 -0.029 0.000 2.343 710 V HA -0.237 3.881 4.120 -0.003 0.000 0.247 710 V C 2.574 178.709 176.094 0.068 0.000 1.051 710 V CA 1.936 64.256 62.300 0.034 0.000 1.036 710 V CB -0.853 31.022 31.823 0.086 0.000 0.654 710 V HN 0.594 nan 8.190 nan 0.000 0.451 711 A N -0.984 121.888 122.820 0.087 0.000 1.908 711 A HA -0.267 4.051 4.320 -0.003 0.000 0.218 711 A C 2.357 180.005 177.584 0.107 0.000 1.181 711 A CA 2.312 54.421 52.037 0.121 0.000 0.627 711 A CB -1.115 17.980 19.000 0.159 0.000 0.818 711 A HN 0.600 nan 8.150 nan 0.000 0.445 712 C N -0.753 118.601 119.300 0.090 0.000 2.446 712 C HA -0.061 4.397 4.460 -0.003 0.000 0.277 712 C C 2.618 177.646 174.990 0.063 0.000 1.275 712 C CA 1.035 60.098 59.018 0.076 0.000 1.727 712 C CB -1.314 26.467 27.740 0.069 0.000 2.010 712 C HN 0.686 nan 8.230 nan 0.000 0.486 713 E N 1.133 121.369 120.200 0.059 0.000 2.118 713 E HA -0.194 4.154 4.350 -0.003 0.000 0.195 713 E C 1.728 178.370 176.600 0.070 0.000 0.992 713 E CA 1.185 57.620 56.400 0.058 0.000 0.804 713 E CB -0.208 29.519 29.700 0.045 0.000 0.741 713 E HN 0.608 nan 8.360 nan 0.000 0.458 714 N N 0.644 119.388 118.700 0.073 0.000 2.216 714 N HA -0.118 4.620 4.740 -0.003 0.000 0.183 714 N C 1.774 177.334 175.510 0.084 0.000 1.017 714 N CA 0.522 53.617 53.050 0.076 0.000 0.861 714 N CB -0.218 38.315 38.487 0.077 0.000 0.986 714 N HN 0.098 nan 8.380 nan 0.000 0.428 715 L N 1.104 122.380 121.223 0.089 0.000 2.056 715 L HA 0.010 4.348 4.340 -0.003 0.000 0.207 715 L C 1.899 178.832 176.870 0.104 0.000 1.078 715 L CA 1.230 56.126 54.840 0.094 0.000 0.749 715 L CB -0.607 41.507 42.059 0.092 0.000 0.901 715 L HN 0.086 nan 8.230 nan 0.000 0.433 716 L N -0.582 120.699 121.223 0.096 0.000 2.012 716 L HA -0.278 4.060 4.340 -0.003 0.000 0.210 716 L C 2.621 179.621 176.870 0.216 0.000 1.073 716 L CA 1.779 56.710 54.840 0.152 0.000 0.748 716 L CB -0.676 41.462 42.059 0.132 0.000 0.891 716 L HN 0.265 nan 8.230 nan 0.000 0.431 717 K N 0.016 120.502 120.400 0.143 0.000 2.063 717 K HA -0.161 4.157 4.320 -0.003 0.000 0.208 717 K C 2.179 178.853 176.600 0.123 0.000 1.048 717 K CA 1.423 57.779 56.287 0.116 0.000 0.928 717 K CB -0.301 32.247 32.500 0.079 0.000 0.713 717 K HN 0.301 nan 8.250 nan 0.000 0.442 718 A N 0.503 123.395 122.820 0.119 0.000 2.019 718 A HA -0.150 4.168 4.320 -0.003 0.000 0.219 718 A C 2.087 179.773 177.584 0.170 0.000 1.164 718 A CA 1.261 53.364 52.037 0.111 0.000 0.644 718 A CB -0.546 18.503 19.000 0.082 0.000 0.805 718 A HN 0.416 nan 8.150 nan 0.000 0.449 719 C N -0.325 119.114 119.300 0.232 0.000 2.780 719 C HA 0.184 4.642 4.460 -0.003 0.000 0.267 719 C C 0.905 176.114 174.990 0.365 0.000 1.266 719 C CA -0.716 58.505 59.018 0.338 0.000 1.709 719 C CB -1.069 26.869 27.740 0.330 0.000 1.975 719 C HN 0.544 nan 8.230 nan 0.000 0.582 720 E N 2.143 122.477 120.200 0.224 0.000 2.415 720 E HA 0.014 4.362 4.350 -0.003 0.000 0.263 720 E C 0.088 176.603 176.600 -0.141 0.000 0.995 720 E CA 0.553 56.909 56.400 -0.074 0.000 0.915 720 E CB 0.443 30.105 29.700 -0.063 0.000 0.951 720 E HN 0.365 nan 8.360 nan 0.000 0.449 721 K N 5.088 125.218 120.400 -0.449 0.000 2.211 721 K HA 0.139 4.457 4.320 -0.003 0.000 0.275 721 K C -1.670 174.749 176.600 -0.302 0.000 1.024 721 K CA -2.230 53.685 56.287 -0.619 0.000 0.887 721 K CB 1.055 33.051 32.500 -0.839 0.000 1.084 721 K HN 0.249 nan 8.250 nan 0.000 0.463 722 P HA -0.205 nan 4.420 nan 0.000 0.218 722 P C 0.765 178.005 177.300 -0.099 0.000 1.154 722 P CA 1.448 64.502 63.100 -0.077 0.000 0.872 722 P CB 0.158 31.848 31.700 -0.017 0.000 0.790 723 G N -1.281 107.449 108.800 -0.117 0.000 3.383 723 G HA2 0.446 4.404 3.960 -0.003 0.000 0.251 723 G HA3 0.446 4.404 3.960 -0.003 0.000 0.251 723 G C 0.418 175.241 174.900 -0.128 0.000 1.203 723 G CA 0.294 45.334 45.100 -0.100 0.000 0.852 723 G HN 0.648 nan 8.290 nan 0.000 0.531 724 G N -1.653 107.037 108.800 -0.183 0.000 2.650 724 G HA2 0.522 4.480 3.960 -0.003 0.000 0.686 724 G HA3 0.522 4.480 3.960 -0.003 0.000 0.686 724 G C 0.414 175.137 174.900 -0.296 0.000 1.205 724 G CA -0.039 44.931 45.100 -0.217 0.000 0.781 724 G HN 2.152 nan 8.290 nan 0.000 0.648 725 G N -0.296 108.267 108.800 -0.396 0.000 2.698 725 G HA2 0.336 4.294 3.960 -0.003 0.000 0.225 725 G HA3 0.336 4.294 3.960 -0.003 0.000 0.225 725 G C -0.631 173.836 174.900 -0.721 0.000 1.345 725 G CA 0.304 45.163 45.100 -0.402 0.000 0.871 725 G HN 1.968 nan 8.290 nan 0.000 0.540 726 Y N -1.380 118.840 120.300 -0.133 0.000 2.477 726 Y HA 0.613 5.161 4.550 -0.003 0.000 0.347 726 Y C 0.145 175.979 175.900 -0.109 0.000 0.981 726 Y CA -0.877 57.157 58.100 -0.111 0.000 1.033 726 Y CB 1.584 40.033 38.460 -0.018 0.000 1.245 726 Y HN 0.637 nan 8.280 nan 0.000 0.455 727 Y N 1.029 121.420 120.300 0.152 0.000 2.480 727 Y HA 0.196 4.744 4.550 -0.003 0.000 0.338 727 Y C 1.184 177.153 175.900 0.116 0.000 1.220 727 Y CA -0.374 57.784 58.100 0.097 0.000 1.430 727 Y CB 0.564 39.058 38.460 0.058 0.000 1.311 727 Y HN 0.611 nan 8.280 nan 0.000 0.575 728 T N -0.949 113.771 114.554 0.276 0.000 2.847 728 T HA 0.071 4.419 4.350 -0.003 0.000 0.279 728 T C 0.894 175.716 174.700 0.202 0.000 0.984 728 T CA -0.498 61.728 62.100 0.210 0.000 0.988 728 T CB 0.439 69.410 68.868 0.171 0.000 1.040 728 T HN 0.685 nan 8.240 nan 0.000 0.528 729 Y N 1.134 121.483 120.300 0.083 0.000 2.114 729 Y HA -0.235 4.313 4.550 -0.003 0.000 0.282 729 Y C 2.047 177.972 175.900 0.041 0.000 1.165 729 Y CA 2.419 60.553 58.100 0.058 0.000 1.148 729 Y CB -0.536 37.951 38.460 0.047 0.000 0.972 729 Y HN 0.706 nan 8.280 nan 0.000 0.504 730 D N 0.077 120.593 120.400 0.193 0.000 2.144 730 D HA -0.172 4.466 4.640 -0.003 0.000 0.199 730 D C 1.988 178.274 176.300 -0.024 0.000 0.984 730 D CA 1.762 55.813 54.000 0.086 0.000 0.834 730 D CB -0.283 40.599 40.800 0.136 0.000 0.955 730 D HN 0.602 nan 8.370 nan 0.000 0.465 731 E N 0.166 120.377 120.200 0.018 0.000 2.072 731 E HA -0.086 4.262 4.350 -0.003 0.000 0.191 731 E C 2.378 178.874 176.600 -0.172 0.000 0.985 731 E CA 0.394 56.783 56.400 -0.017 0.000 0.801 731 E CB -0.031 29.756 29.700 0.145 0.000 0.750 731 E HN 0.250 nan 8.360 nan 0.000 0.452 732 L N 0.868 121.977 121.223 -0.190 0.000 2.056 732 L HA -0.177 4.161 4.340 -0.003 0.000 0.207 732 L C 2.337 179.042 176.870 -0.275 0.000 1.078 732 L CA 0.866 55.546 54.840 -0.266 0.000 0.749 732 L CB -0.288 41.655 42.059 -0.193 0.000 0.901 732 L HN 0.005 nan 8.230 nan 0.000 0.433 733 K N 0.248 120.443 120.400 -0.342 0.000 2.097 733 K HA -0.048 4.270 4.320 -0.003 0.000 0.205 733 K C 2.115 178.609 176.600 -0.177 0.000 1.050 733 K CA 1.374 57.476 56.287 -0.308 0.000 0.938 733 K CB -0.470 31.782 32.500 -0.414 0.000 0.718 733 K HN 0.257 nan 8.250 nan 0.000 0.442 734 A N 1.018 123.751 122.820 -0.146 0.000 2.015 734 A HA 0.025 4.343 4.320 -0.003 0.000 0.219 734 A C 2.063 179.583 177.584 -0.107 0.000 1.163 734 A CA 1.604 53.584 52.037 -0.096 0.000 0.646 734 A CB -0.250 18.711 19.000 -0.065 0.000 0.806 734 A HN 0.252 nan 8.150 nan 0.000 0.448 735 A N -1.228 121.501 122.820 -0.152 0.000 2.275 735 A HA 0.327 4.645 4.320 -0.003 0.000 0.212 735 A C 0.364 177.868 177.584 -0.134 0.000 1.201 735 A CA 0.644 52.588 52.037 -0.155 0.000 0.843 735 A CB -0.110 18.748 19.000 -0.237 0.000 0.873 735 A HN 0.368 nan 8.150 nan 0.000 0.492 736 D N -0.355 119.968 120.400 -0.128 0.000 2.870 736 D HA -0.135 4.503 4.640 -0.003 0.000 0.228 736 D C -0.114 176.119 176.300 -0.111 0.000 1.147 736 D CA 1.243 55.179 54.000 -0.107 0.000 0.757 736 D CB -1.196 39.558 40.800 -0.078 0.000 1.091 736 D HN 0.611 nan 8.370 nan 0.000 0.429 737 K N 0.721 121.036 120.400 -0.142 0.000 2.098 737 K HA 0.386 4.704 4.320 -0.003 0.000 0.261 737 K C -2.049 174.485 176.600 -0.109 0.000 0.987 737 K CA -1.318 54.894 56.287 -0.125 0.000 0.916 737 K CB 1.086 33.490 32.500 -0.159 0.000 1.039 737 K HN -0.054 nan 8.250 nan 0.000 0.455 738 P HA -0.004 nan 4.420 nan 0.000 0.271 738 P C 0.028 177.308 177.300 -0.034 0.000 1.218 738 P CA 0.023 63.090 63.100 -0.054 0.000 0.780 738 P CB 0.837 32.513 31.700 -0.040 0.000 0.901 739 T N -2.032 112.515 114.554 -0.012 0.000 3.004 739 T HA 0.157 4.505 4.350 -0.003 0.000 0.266 739 T C 0.443 175.196 174.700 0.088 0.000 0.986 739 T CA -0.098 62.031 62.100 0.047 0.000 0.902 739 T CB 0.225 69.139 68.868 0.076 0.000 1.118 739 T HN 0.335 nan 8.240 nan 0.000 0.522 740 K N 1.880 122.306 120.400 0.043 0.000 2.425 740 K HA 0.537 4.855 4.320 -0.003 0.000 0.259 740 K C -1.340 175.258 176.600 -0.004 0.000 0.978 740 K CA -0.876 55.434 56.287 0.038 0.000 0.883 740 K CB 0.603 33.081 32.500 -0.036 0.000 1.110 740 K HN 0.137 nan 8.250 nan 0.000 0.436 741 I N 3.862 124.473 120.570 0.069 0.000 2.465 741 I HA 0.166 4.334 4.170 -0.003 0.000 0.291 741 I C 0.581 176.776 176.117 0.131 0.000 1.014 741 I CA -0.666 60.672 61.300 0.065 0.000 1.093 741 I CB 1.486 39.537 38.000 0.085 0.000 1.267 741 I HN 0.660 nan 8.210 nan 0.000 0.431 742 T N 1.956 116.569 114.554 0.098 0.000 2.909 742 T HA 0.745 5.093 4.350 -0.003 0.000 0.289 742 T C 0.149 174.963 174.700 0.190 0.000 1.005 742 T CA -0.625 61.609 62.100 0.223 0.000 1.084 742 T CB 1.795 70.751 68.868 0.147 0.000 0.975 742 T HN 0.859 nan 8.240 nan 0.000 0.509 743 G N 1.564 110.498 108.800 0.223 0.000 2.591 743 G HA2 0.602 4.560 3.960 -0.003 0.000 0.306 743 G HA3 0.602 4.560 3.960 -0.003 0.000 0.306 743 G C -1.453 173.535 174.900 0.145 0.000 1.334 743 G CA -1.040 44.151 45.100 0.153 0.000 0.981 743 G HN 0.779 nan 8.290 nan 0.000 0.491 744 N N -0.393 118.384 118.700 0.128 0.000 2.262 744 N HA 0.694 5.432 4.740 -0.003 0.000 0.295 744 N C -1.784 173.837 175.510 0.186 0.000 1.161 744 N CA -0.493 52.629 53.050 0.120 0.000 0.767 744 N CB 2.653 41.183 38.487 0.070 0.000 1.499 744 N HN 0.673 nan 8.380 nan 0.000 0.476 745 W N 0.600 121.874 121.300 -0.044 0.000 3.256 745 W HA 0.555 5.213 4.660 -0.004 0.000 0.324 745 W C -1.475 175.006 176.519 -0.063 0.000 1.196 745 W CA -0.189 57.121 57.345 -0.057 0.000 1.206 745 W CB 1.810 31.224 29.460 -0.076 0.000 1.385 745 W HN 0.277 nan 8.180 nan 0.000 0.522 746 T N 3.477 117.528 114.554 -0.840 0.000 2.886 746 T HA 0.530 4.878 4.350 -0.003 0.000 0.292 746 T C -0.261 173.644 174.700 -1.326 0.000 1.012 746 T CA -0.527 61.132 62.100 -0.735 0.000 0.982 746 T CB 1.656 70.260 68.868 -0.440 0.000 1.018 746 T HN 0.551 nan 8.240 nan 0.000 0.451 747 A N 2.872 125.218 122.820 -0.790 0.000 3.048 747 A HA 0.450 4.768 4.320 -0.003 0.000 0.264 747 A C 0.756 178.125 177.584 -0.359 0.000 1.796 747 A CA -0.426 51.291 52.037 -0.534 0.000 1.445 747 A CB -0.855 18.077 19.000 -0.112 0.000 1.074 747 A HN 0.684 nan 8.150 nan 0.000 0.621 748 S N 0.003 115.451 115.700 -0.421 0.000 2.562 748 S HA 0.454 4.922 4.470 -0.003 0.000 0.281 748 S C 1.555 176.058 174.600 -0.162 0.000 1.333 748 S CA 0.628 58.673 58.200 -0.259 0.000 1.052 748 S CB 0.950 63.998 63.200 -0.253 0.000 0.884 748 S HN 1.766 nan 8.310 nan 0.000 0.506 749 G N 1.127 109.853 108.800 -0.123 0.000 2.258 749 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.233 749 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.233 749 G C 0.234 175.081 174.900 -0.088 0.000 1.006 749 G CA -0.147 44.903 45.100 -0.084 0.000 0.620 749 G HN 1.258 nan 8.290 nan 0.000 0.511 750 A N 0.938 123.687 122.820 -0.118 0.000 2.477 750 A HA 0.654 4.972 4.320 -0.003 0.000 0.246 750 A C 0.771 178.246 177.584 -0.182 0.000 1.078 750 A CA 1.556 53.502 52.037 -0.152 0.000 0.770 750 A CB 0.155 19.045 19.000 -0.185 0.000 1.011 750 A HN 1.874 nan 8.150 nan 0.000 0.494 751 T N 0.252 114.691 114.554 -0.192 0.000 2.893 751 T HA 0.547 4.895 4.350 -0.003 0.000 0.291 751 T C -0.309 174.255 174.700 -0.227 0.000 1.028 751 T CA -0.737 61.267 62.100 -0.160 0.000 0.995 751 T CB 0.822 69.647 68.868 -0.072 0.000 1.051 751 T HN 0.615 nan 8.240 nan 0.000 0.470 752 H N 0.144 119.137 119.070 -0.128 0.000 2.790 752 H HA 0.186 4.740 4.556 -0.003 0.000 0.358 752 H C 0.486 175.756 175.328 -0.097 0.000 1.103 752 H CA -0.189 55.778 56.048 -0.134 0.000 1.426 752 H CB 0.595 30.274 29.762 -0.139 0.000 1.424 752 H HN 0.733 nan 8.280 nan 0.000 0.599 753 C N 2.802 122.123 119.300 0.037 0.000 2.653 753 C HA -0.060 4.398 4.460 -0.003 0.000 0.421 753 C C 1.242 176.271 174.990 0.065 0.000 1.334 753 C CA -0.331 58.716 59.018 0.048 0.000 1.885 753 C CB -0.646 27.144 27.740 0.083 0.000 2.645 753 C HN 0.738 nan 8.230 nan 0.000 0.601 754 D N 1.161 121.593 120.400 0.053 0.000 2.414 754 D HA 0.331 4.969 4.640 -0.003 0.000 0.242 754 D C 0.859 177.202 176.300 0.072 0.000 1.129 754 D CA 0.337 54.363 54.000 0.045 0.000 0.885 754 D CB 0.898 41.718 40.800 0.033 0.000 1.198 754 D HN 0.632 nan 8.370 nan 0.000 0.437 755 A N 2.696 125.551 122.820 0.060 0.000 2.015 755 A HA -0.046 4.272 4.320 -0.003 0.000 0.219 755 A C 1.866 179.486 177.584 0.061 0.000 1.163 755 A CA 0.964 53.059 52.037 0.096 0.000 0.646 755 A CB -0.116 18.934 19.000 0.083 0.000 0.806 755 A HN 0.482 nan 8.150 nan 0.000 0.448 756 V N -0.642 119.295 119.914 0.038 0.000 2.672 756 V HA -0.066 4.052 4.120 -0.003 0.000 0.242 756 V C 2.575 178.684 176.094 0.025 0.000 1.059 756 V CA 2.038 64.349 62.300 0.018 0.000 1.081 756 V CB -0.322 31.508 31.823 0.012 0.000 0.752 756 V HN 0.758 nan 8.190 nan 0.000 0.472 757 T N -3.501 111.077 114.554 0.040 0.000 2.990 757 T HA 0.321 4.669 4.350 -0.003 0.000 0.250 757 T C 1.654 176.397 174.700 0.071 0.000 1.041 757 T CA 1.024 63.153 62.100 0.047 0.000 1.010 757 T CB 0.860 69.752 68.868 0.039 0.000 1.003 757 T HN 0.883 nan 8.240 nan 0.000 0.499 758 G N 1.684 110.535 108.800 0.086 0.000 2.189 758 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.267 758 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.267 758 G C 0.008 174.956 174.900 0.080 0.000 0.975 758 G CA 0.442 45.609 45.100 0.113 0.000 0.644 758 G HN 0.659 nan 8.290 nan 0.000 0.537 759 L N 0.188 121.445 121.223 0.056 0.000 2.395 759 L HA 0.653 4.991 4.340 -0.003 0.000 0.269 759 L C 1.078 177.958 176.870 0.018 0.000 1.133 759 L CA 0.404 55.264 54.840 0.034 0.000 0.812 759 L CB 1.199 43.275 42.059 0.029 0.000 1.125 759 L HN 0.598 nan 8.230 nan 0.000 0.452 760 G N 1.585 110.384 108.800 -0.001 0.000 2.317 760 G HA2 0.211 4.169 3.960 -0.003 0.000 0.293 760 G HA3 0.211 4.169 3.960 -0.003 0.000 0.293 760 G C -1.565 173.311 174.900 -0.041 0.000 1.287 760 G CA -0.796 44.289 45.100 -0.024 0.000 0.850 760 G HN 0.462 nan 8.290 nan 0.000 0.515 761 K N 1.554 121.910 120.400 -0.073 0.000 2.762 761 K HA 0.297 4.615 4.320 -0.003 0.000 0.180 761 K C -1.949 174.550 176.600 -0.170 0.000 1.067 761 K CA -1.562 54.688 56.287 -0.062 0.000 0.973 761 K CB 2.732 35.208 32.500 -0.039 0.000 1.290 761 K HN 0.207 nan 8.250 nan 0.000 0.604 762 P HA -0.093 nan 4.420 nan 0.000 0.221 762 P C -0.300 176.382 177.300 -1.031 0.000 1.150 762 P CA 0.857 63.518 63.100 -0.730 0.000 0.800 762 P CB 0.165 31.309 31.700 -0.927 0.000 0.787 763 F N -1.072 118.788 119.950 -0.150 0.000 2.576 763 F HA 0.223 4.748 4.527 -0.004 0.000 0.313 763 F C 1.355 177.042 175.800 -0.188 0.000 1.078 763 F CA -1.084 56.732 58.000 -0.307 0.000 0.921 763 F CB 1.392 39.967 39.000 -0.709 0.000 1.232 763 F HN -0.407 nan 8.300 nan 0.000 0.459 764 V N -1.018 118.924 119.914 0.047 0.000 3.506 764 V HA 0.324 4.442 4.120 -0.003 0.000 0.263 764 V C -0.063 176.101 176.094 0.117 0.000 1.203 764 V CA 0.141 62.499 62.300 0.097 0.000 1.133 764 V CB -0.080 31.805 31.823 0.103 0.000 0.802 764 V HN 0.402 nan 8.190 nan 0.000 0.459 765 V N 0.520 120.443 119.914 0.014 0.000 2.638 765 V HA 0.619 4.737 4.120 -0.003 0.000 0.306 765 V C -1.125 174.850 176.094 -0.198 0.000 1.052 765 V CA -0.677 61.635 62.300 0.020 0.000 0.885 765 V CB 1.871 33.696 31.823 0.003 0.000 0.999 765 V HN 0.351 nan 8.190 nan 0.000 0.424 766 Y N 2.988 123.257 120.300 -0.052 0.000 2.598 766 Y HA 0.726 5.274 4.550 -0.003 0.000 0.340 766 Y C 0.195 175.874 175.900 -0.369 0.000 1.038 766 Y CA -1.063 56.871 58.100 -0.277 0.000 1.100 766 Y CB 1.981 40.171 38.460 -0.450 0.000 1.281 766 Y HN 0.446 nan 8.280 nan 0.000 0.488 767 M N 1.666 121.091 119.600 -0.291 0.000 2.364 767 M HA 0.478 4.956 4.480 -0.003 0.000 0.334 767 M C -1.817 174.230 176.300 -0.422 0.000 1.107 767 M CA -0.549 54.617 55.300 -0.223 0.000 0.988 767 M CB 1.519 34.060 32.600 -0.099 0.000 1.673 767 M HN 0.503 nan 8.290 nan 0.000 0.441 768 Y N 0.159 120.478 120.300 0.032 0.000 2.462 768 Y HA 0.828 5.376 4.550 -0.003 0.000 0.346 768 Y C 0.322 176.182 175.900 -0.067 0.000 0.976 768 Y CA -0.852 57.244 58.100 -0.006 0.000 1.044 768 Y CB 2.501 40.943 38.460 -0.030 0.000 1.230 768 Y HN 0.782 nan 8.280 nan 0.000 0.455 769 G N 0.498 109.319 108.800 0.036 0.000 2.677 769 G HA2 0.618 4.576 3.960 -0.003 0.000 0.291 769 G HA3 0.618 4.576 3.960 -0.003 0.000 0.291 769 G C -2.297 172.503 174.900 -0.166 0.000 1.435 769 G CA -0.862 44.151 45.100 -0.146 0.000 0.826 769 G HN 0.430 nan 8.290 nan 0.000 0.491 770 V N 0.581 120.340 119.914 -0.258 0.000 2.525 770 V HA 0.558 4.676 4.120 -0.003 0.000 0.299 770 V C -1.062 174.886 176.094 -0.244 0.000 1.034 770 V CA -0.690 61.521 62.300 -0.147 0.000 0.863 770 V CB 1.165 32.945 31.823 -0.071 0.000 0.999 770 V HN 0.573 nan 8.190 nan 0.000 0.423 771 F N 4.074 123.995 119.950 -0.047 0.000 2.397 771 F HA 0.727 5.252 4.527 -0.003 0.000 0.331 771 F C 0.215 175.995 175.800 -0.034 0.000 1.090 771 F CA -0.603 57.373 58.000 -0.040 0.000 1.065 771 F CB 1.744 40.715 39.000 -0.048 0.000 1.184 771 F HN 0.380 nan 8.300 nan 0.000 0.499 772 M N 2.867 122.571 119.600 0.175 0.000 2.204 772 M HA 0.751 5.229 4.480 -0.003 0.000 0.293 772 M C -1.655 174.723 176.300 0.130 0.000 0.994 772 M CA -0.464 54.915 55.300 0.132 0.000 0.925 772 M CB 1.495 34.165 32.600 0.116 0.000 1.577 772 M HN 0.698 nan 8.290 nan 0.000 0.439 773 A N 4.377 127.263 122.820 0.109 0.000 2.330 773 A HA 0.719 5.037 4.320 -0.003 0.000 0.327 773 A C -1.180 176.448 177.584 0.074 0.000 1.155 773 A CA -0.539 51.546 52.037 0.081 0.000 0.803 773 A CB 0.968 20.000 19.000 0.052 0.000 1.208 773 A HN 0.861 nan 8.150 nan 0.000 0.477 774 E N 0.897 121.132 120.200 0.059 0.000 2.165 774 E HA 0.507 4.855 4.350 -0.003 0.000 0.266 774 E C -0.732 175.890 176.600 0.037 0.000 0.889 774 E CA -0.672 55.756 56.400 0.047 0.000 0.756 774 E CB 2.156 31.880 29.700 0.040 0.000 1.131 774 E HN 0.668 nan 8.360 nan 0.000 0.411 775 V N -0.153 119.782 119.914 0.034 0.000 3.102 775 V HA 0.747 4.865 4.120 -0.003 0.000 0.312 775 V C -0.596 175.519 176.094 0.035 0.000 1.135 775 V CA -0.552 61.767 62.300 0.032 0.000 1.022 775 V CB 2.295 34.135 31.823 0.028 0.000 1.056 775 V HN 0.539 nan 8.190 nan 0.000 0.436 776 T N 1.957 116.537 114.554 0.043 0.000 2.841 776 T HA 0.666 5.014 4.350 -0.003 0.000 0.285 776 T C -0.720 174.007 174.700 0.045 0.000 0.991 776 T CA -0.384 61.751 62.100 0.059 0.000 0.966 776 T CB 1.510 70.436 68.868 0.097 0.000 0.962 776 T HN 0.790 nan 8.240 nan 0.000 0.438 777 V N 3.174 123.098 119.914 0.017 0.000 2.370 777 V HA 0.327 4.445 4.120 -0.003 0.000 0.283 777 V C -0.008 176.017 176.094 -0.114 0.000 1.023 777 V CA -0.910 61.375 62.300 -0.024 0.000 0.857 777 V CB 1.597 33.408 31.823 -0.019 0.000 0.985 777 V HN 0.834 nan 8.190 nan 0.000 0.443 778 D N 4.042 124.328 120.400 -0.189 0.000 2.352 778 D HA 0.088 4.726 4.640 -0.003 0.000 0.245 778 D C 1.016 177.181 176.300 -0.224 0.000 1.224 778 D CA -0.198 53.545 54.000 -0.428 0.000 0.879 778 D CB 1.799 42.373 40.800 -0.376 0.000 1.057 778 D HN 0.423 nan 8.370 nan 0.000 0.491 779 V N 2.455 122.251 119.914 -0.197 0.000 3.380 779 V HA 0.117 4.235 4.120 -0.003 0.000 0.268 779 V C 1.759 177.810 176.094 -0.071 0.000 1.168 779 V CA 1.098 63.342 62.300 -0.095 0.000 1.156 779 V CB -0.521 31.265 31.823 -0.061 0.000 0.785 779 V HN 0.472 nan 8.190 nan 0.000 0.487 780 A N 1.678 124.443 122.820 -0.092 0.000 2.021 780 A HA 0.036 4.354 4.320 -0.003 0.000 0.216 780 A C 2.325 179.888 177.584 -0.035 0.000 1.163 780 A CA 1.775 53.782 52.037 -0.050 0.000 0.676 780 A CB -0.476 18.500 19.000 -0.039 0.000 0.818 780 A HN 0.736 nan 8.150 nan 0.000 0.453 781 T N -6.279 108.247 114.554 -0.047 0.000 2.955 781 T HA 0.424 4.772 4.350 -0.003 0.000 0.251 781 T C 1.435 176.129 174.700 -0.009 0.000 1.002 781 T CA 1.133 63.221 62.100 -0.020 0.000 0.970 781 T CB 0.369 69.229 68.868 -0.013 0.000 1.091 781 T HN 1.619 nan 8.240 nan 0.000 0.495 782 G N 1.556 110.343 108.800 -0.023 0.000 2.179 782 G HA2 -0.250 3.707 3.960 -0.003 0.000 0.260 782 G HA3 -0.250 3.707 3.960 -0.003 0.000 0.260 782 G C -0.128 174.776 174.900 0.008 0.000 0.977 782 G CA 0.083 45.181 45.100 -0.003 0.000 0.641 782 G HN 0.695 nan 8.290 nan 0.000 0.533 783 Q N 0.979 120.779 119.800 -0.000 0.000 2.304 783 Q HA 0.472 4.810 4.340 -0.003 0.000 0.260 783 Q C -0.141 175.866 176.000 0.013 0.000 0.965 783 Q CA 0.430 56.245 55.803 0.019 0.000 0.898 783 Q CB 0.847 29.601 28.738 0.026 0.000 1.196 783 Q HN 0.240 nan 8.270 nan 0.000 0.402 784 T N 2.331 116.900 114.554 0.025 0.000 2.795 784 T HA 0.341 4.689 4.350 -0.003 0.000 0.282 784 T C -0.274 174.446 174.700 0.034 0.000 0.980 784 T CA -0.492 61.622 62.100 0.024 0.000 1.012 784 T CB 1.209 70.087 68.868 0.017 0.000 0.936 784 T HN 0.393 nan 8.240 nan 0.000 0.457 785 T N 2.740 117.319 114.554 0.041 0.000 2.779 785 T HA 0.424 4.772 4.350 -0.003 0.000 0.280 785 T C 0.013 174.734 174.700 0.035 0.000 0.987 785 T CA -0.544 61.581 62.100 0.042 0.000 0.966 785 T CB 1.098 69.999 68.868 0.054 0.000 0.933 785 T HN 0.326 nan 8.240 nan 0.000 0.442 786 V N 4.081 124.012 119.914 0.028 0.000 2.408 786 V HA 0.164 4.282 4.120 -0.003 0.000 0.267 786 V C 0.625 176.736 176.094 0.027 0.000 1.047 786 V CA -0.192 62.124 62.300 0.027 0.000 0.937 786 V CB 0.888 32.724 31.823 0.022 0.000 0.999 786 V HN 0.891 nan 8.190 nan 0.000 0.472 787 D N 3.599 124.016 120.400 0.029 0.000 2.346 787 D HA 0.210 4.848 4.640 -0.003 0.000 0.206 787 D C 0.864 177.177 176.300 0.022 0.000 1.001 787 D CA 0.859 54.874 54.000 0.024 0.000 0.871 787 D CB 1.234 42.048 40.800 0.024 0.000 0.943 787 D HN 0.701 nan 8.370 nan 0.000 0.518 788 G N 0.218 109.036 108.800 0.029 0.000 2.733 788 G HA2 0.516 4.474 3.960 -0.003 0.000 0.297 788 G HA3 0.516 4.474 3.960 -0.003 0.000 0.297 788 G C -1.254 173.675 174.900 0.048 0.000 1.452 788 G CA -0.662 44.457 45.100 0.031 0.000 0.940 788 G HN -0.152 nan 8.290 nan 0.000 0.547 789 M N 1.276 120.910 119.600 0.056 0.000 2.393 789 M HA 0.507 4.985 4.480 -0.003 0.000 0.299 789 M C -0.870 175.479 176.300 0.082 0.000 1.103 789 M CA -0.629 54.723 55.300 0.086 0.000 0.910 789 M CB 2.752 35.417 32.600 0.109 0.000 1.659 789 M HN 0.451 nan 8.290 nan 0.000 0.445 790 T N 3.191 117.794 114.554 0.082 0.000 2.824 790 T HA 0.652 5.000 4.350 -0.003 0.000 0.282 790 T C -1.314 173.377 174.700 -0.014 0.000 0.993 790 T CA -0.558 61.563 62.100 0.035 0.000 0.967 790 T CB 1.922 70.805 68.868 0.026 0.000 0.960 790 T HN 0.499 nan 8.240 nan 0.000 0.441 791 L N 4.452 125.611 121.223 -0.107 0.000 2.343 791 L HA 0.590 4.928 4.340 -0.003 0.000 0.278 791 L C -0.715 175.993 176.870 -0.270 0.000 0.996 791 L CA -0.723 53.944 54.840 -0.288 0.000 0.831 791 L CB 1.221 43.054 42.059 -0.376 0.000 1.232 791 L HN 0.538 nan 8.230 nan 0.000 0.413 792 M N 4.824 124.274 119.600 -0.250 0.000 2.146 792 M HA 0.542 5.020 4.480 -0.003 0.000 0.352 792 M C -0.007 176.170 176.300 -0.206 0.000 1.343 792 M CA -0.106 55.083 55.300 -0.186 0.000 1.115 792 M CB 0.386 32.918 32.600 -0.114 0.000 1.657 792 M HN 0.718 nan 8.290 nan 0.000 0.471 793 A N 2.828 125.554 122.820 -0.155 0.000 2.374 793 A HA 0.568 4.886 4.320 -0.003 0.000 0.305 793 A C -0.990 176.640 177.584 0.077 0.000 1.053 793 A CA -0.710 51.282 52.037 -0.076 0.000 0.726 793 A CB 1.137 20.078 19.000 -0.098 0.000 1.229 793 A HN 0.682 nan 8.150 nan 0.000 0.431 794 D N 2.914 123.370 120.400 0.095 0.000 2.454 794 D HA 0.434 5.072 4.640 -0.003 0.000 0.225 794 D C 0.057 176.451 176.300 0.157 0.000 1.081 794 D CA -0.189 53.900 54.000 0.149 0.000 0.864 794 D CB 0.524 41.394 40.800 0.117 0.000 1.040 794 D HN 0.369 nan 8.370 nan 0.000 0.517 795 L N 2.845 124.161 121.223 0.155 0.000 2.769 795 L HA 0.362 4.700 4.340 -0.003 0.000 0.240 795 L C 1.805 178.734 176.870 0.099 0.000 1.163 795 L CA 0.046 54.947 54.840 0.101 0.000 0.962 795 L CB 0.084 42.178 42.059 0.058 0.000 1.258 795 L HN 0.681 nan 8.230 nan 0.000 0.513 796 G N 0.559 109.441 108.800 0.138 0.000 4.039 796 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.220 796 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.220 796 G C 0.324 175.313 174.900 0.149 0.000 1.391 796 G CA 0.308 45.499 45.100 0.151 0.000 0.920 796 G HN 0.420 nan 8.290 nan 0.000 0.599 797 S N -0.848 114.942 115.700 0.150 0.000 2.556 797 S HA 0.581 5.049 4.470 -0.003 0.000 0.280 797 S C -0.943 173.684 174.600 0.044 0.000 1.141 797 S CA -0.500 57.810 58.200 0.185 0.000 0.883 797 S CB 0.831 64.287 63.200 0.427 0.000 1.103 797 S HN 0.954 nan 8.310 nan 0.000 0.453 798 L N 4.099 125.203 121.223 -0.198 0.000 2.281 798 L HA 0.399 4.737 4.340 -0.003 0.000 0.285 798 L C 1.666 177.912 176.870 -1.040 0.000 1.074 798 L CA -0.714 53.834 54.840 -0.485 0.000 0.817 798 L CB 0.928 42.670 42.059 -0.528 0.000 1.168 798 L HN 0.945 nan 8.230 nan 0.000 0.434 799 C N 3.193 121.791 119.300 -1.170 0.000 2.446 799 C HA -0.030 4.428 4.460 -0.003 0.000 0.277 799 C C 1.045 175.479 174.990 -0.926 0.000 1.275 799 C CA 0.607 58.594 59.018 -1.718 0.000 1.727 799 C CB -0.581 26.624 27.740 -0.892 0.000 2.010 799 C HN 0.923 nan 8.230 nan 0.000 0.486 800 N N -0.565 117.794 118.700 -0.568 0.000 2.503 800 N HA 0.096 4.834 4.740 -0.003 0.000 0.287 800 N C -0.077 175.255 175.510 -0.296 0.000 1.096 800 N CA -0.200 52.626 53.050 -0.372 0.000 0.936 800 N CB 1.135 39.453 38.487 -0.280 0.000 1.570 800 N HN 0.540 nan 8.380 nan 0.000 0.504 801 Q N 3.382 123.033 119.800 -0.248 0.000 2.172 801 Q HA 0.064 4.402 4.340 -0.003 0.000 0.200 801 Q C 1.302 177.228 176.000 -0.122 0.000 0.964 801 Q CA 0.864 56.551 55.803 -0.193 0.000 0.855 801 Q CB 0.341 28.994 28.738 -0.141 0.000 0.918 801 Q HN 0.729 nan 8.270 nan 0.000 0.444 802 L N 0.073 121.223 121.223 -0.121 0.000 2.046 802 L HA -0.175 4.163 4.340 -0.003 0.000 0.208 802 L C 2.547 179.352 176.870 -0.109 0.000 1.077 802 L CA 1.074 55.855 54.840 -0.098 0.000 0.747 802 L CB -0.643 41.347 42.059 -0.115 0.000 0.896 802 L HN 0.274 nan 8.230 nan 0.000 0.432 803 A N 0.374 123.110 122.820 -0.139 0.000 1.858 803 A HA -0.219 4.099 4.320 -0.003 0.000 0.216 803 A C 2.460 179.974 177.584 -0.116 0.000 1.190 803 A CA 2.397 54.355 52.037 -0.132 0.000 0.617 803 A CB -0.995 17.909 19.000 -0.162 0.000 0.827 803 A HN 0.516 nan 8.150 nan 0.000 0.443 804 T N -2.402 112.075 114.554 -0.127 0.000 2.812 804 T HA -0.121 4.227 4.350 -0.003 0.000 0.264 804 T C 1.402 176.051 174.700 -0.084 0.000 1.042 804 T CA 1.475 63.524 62.100 -0.085 0.000 1.140 804 T CB -0.519 68.293 68.868 -0.094 0.000 0.870 804 T HN 0.312 nan 8.240 nan 0.000 0.445 805 D N 1.920 122.252 120.400 -0.113 0.000 2.104 805 D HA -0.013 4.625 4.640 -0.003 0.000 0.194 805 D C 2.428 178.407 176.300 -0.534 0.000 0.994 805 D CA 1.573 55.352 54.000 -0.370 0.000 0.830 805 D CB -1.017 39.624 40.800 -0.264 0.000 0.959 805 D HN 0.575 nan 8.370 nan 0.000 0.452 806 G N 0.426 109.096 108.800 -0.216 0.000 2.418 806 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.217 806 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.217 806 G C 1.563 176.428 174.900 -0.057 0.000 1.158 806 G CA 0.428 45.481 45.100 -0.078 0.000 0.771 806 G HN 0.161 nan 8.290 nan 0.000 0.545 807 Q N 0.199 119.954 119.800 -0.075 0.000 2.061 807 Q HA -0.035 4.303 4.340 -0.003 0.000 0.204 807 Q C 2.717 178.698 176.000 -0.033 0.000 0.984 807 Q CA 0.960 56.744 55.803 -0.032 0.000 0.846 807 Q CB -0.311 28.405 28.738 -0.037 0.000 0.902 807 Q HN 0.572 nan 8.270 nan 0.000 0.421 808 I N -0.225 120.277 120.570 -0.113 0.000 2.202 808 I HA -0.284 3.884 4.170 -0.003 0.000 0.242 808 I C 2.052 178.174 176.117 0.008 0.000 1.091 808 I CA 0.999 62.240 61.300 -0.100 0.000 1.368 808 I CB -0.356 37.517 38.000 -0.212 0.000 1.058 808 I HN 0.117 nan 8.210 nan 0.000 0.410 809 Y N 0.981 121.280 120.300 -0.001 0.000 2.165 809 Y HA -0.158 4.390 4.550 -0.004 0.000 0.286 809 Y C 2.639 178.531 175.900 -0.013 0.000 1.155 809 Y CA 0.954 59.052 58.100 -0.004 0.000 1.164 809 Y CB -1.688 36.763 38.460 -0.014 0.000 0.978 809 Y HN 0.122 nan 8.280 nan 0.000 0.513 810 G N -0.467 108.414 108.800 0.136 0.000 2.440 810 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.218 810 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.218 810 G C 2.092 177.005 174.900 0.021 0.000 1.154 810 G CA 1.006 46.138 45.100 0.053 0.000 0.767 810 G HN 0.538 nan 8.290 nan 0.000 0.552 811 G N 0.760 109.590 108.800 0.049 0.000 2.402 811 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.216 811 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.216 811 G C 1.814 176.735 174.900 0.035 0.000 1.162 811 G CA 0.665 45.786 45.100 0.035 0.000 0.777 811 G HN 0.418 nan 8.290 nan 0.000 0.539 812 L N 0.655 121.933 121.223 0.091 0.000 2.046 812 L HA -0.084 4.254 4.340 -0.003 0.000 0.208 812 L C 3.400 180.288 176.870 0.029 0.000 1.077 812 L CA 1.044 55.947 54.840 0.104 0.000 0.747 812 L CB -0.390 41.766 42.059 0.162 0.000 0.896 812 L HN 0.314 nan 8.230 nan 0.000 0.432 813 A N -0.521 122.306 122.820 0.012 0.000 1.898 813 A HA -0.237 4.081 4.320 -0.003 0.000 0.216 813 A C 2.207 179.715 177.584 -0.127 0.000 1.181 813 A CA 1.424 53.440 52.037 -0.036 0.000 0.620 813 A CB -0.440 18.545 19.000 -0.025 0.000 0.819 813 A HN 0.462 nan 8.150 nan 0.000 0.442 814 Q N -0.753 118.952 119.800 -0.159 0.000 2.170 814 Q HA -0.098 4.240 4.340 -0.003 0.000 0.203 814 Q C 2.122 177.979 176.000 -0.238 0.000 0.976 814 Q CA 1.009 56.679 55.803 -0.223 0.000 0.858 814 Q CB -0.379 28.241 28.738 -0.196 0.000 0.907 814 Q HN 0.705 nan 8.270 nan 0.000 0.433 815 G N 0.918 109.616 108.800 -0.170 0.000 2.422 815 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.218 815 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.218 815 G C 1.383 176.198 174.900 -0.142 0.000 1.146 815 G CA 0.488 45.491 45.100 -0.161 0.000 0.769 815 G HN 0.229 nan 8.290 nan 0.000 0.547 816 I N 1.229 121.736 120.570 -0.105 0.000 2.226 816 I HA -0.073 4.095 4.170 -0.003 0.000 0.245 816 I C 3.067 179.108 176.117 -0.127 0.000 1.100 816 I CA 0.965 62.214 61.300 -0.086 0.000 1.374 816 I CB -0.394 37.579 38.000 -0.046 0.000 1.057 816 I HN 0.240 nan 8.210 nan 0.000 0.413 817 G N 1.058 109.753 108.800 -0.175 0.000 2.433 817 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.216 817 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.216 817 G C 1.629 176.381 174.900 -0.246 0.000 1.186 817 G CA 0.658 45.636 45.100 -0.203 0.000 0.779 817 G HN 0.248 nan 8.290 nan 0.000 0.543 818 L N 1.451 122.476 121.223 -0.330 0.000 2.079 818 L HA 0.075 4.413 4.340 -0.003 0.000 0.210 818 L C 3.030 179.673 176.870 -0.378 0.000 1.081 818 L CA 2.176 56.750 54.840 -0.444 0.000 0.752 818 L CB -0.723 40.927 42.059 -0.682 0.000 0.896 818 L HN 0.253 nan 8.230 nan 0.000 0.433 819 A N -1.181 121.485 122.820 -0.257 0.000 1.898 819 A HA -0.063 4.255 4.320 -0.003 0.000 0.216 819 A C 2.132 179.607 177.584 -0.182 0.000 1.181 819 A CA 1.956 53.889 52.037 -0.175 0.000 0.620 819 A CB -0.433 18.526 19.000 -0.068 0.000 0.819 819 A HN 0.491 nan 8.150 nan 0.000 0.442 820 L N -1.633 119.491 121.223 -0.164 0.000 2.609 820 L HA 0.117 4.455 4.340 -0.003 0.000 0.230 820 L C 1.968 178.752 176.870 -0.143 0.000 1.064 820 L CA 1.041 55.806 54.840 -0.125 0.000 0.873 820 L CB 0.380 42.408 42.059 -0.051 0.000 1.139 820 L HN 0.526 nan 8.230 nan 0.000 0.490 821 S N -2.899 112.712 115.700 -0.148 0.000 2.612 821 S HA 0.189 4.657 4.470 -0.003 0.000 0.278 821 S C 0.364 174.943 174.600 -0.035 0.000 1.082 821 S CA -0.541 57.641 58.200 -0.029 0.000 1.185 821 S CB 0.504 63.735 63.200 0.052 0.000 1.077 821 S HN 0.143 nan 8.310 nan 0.000 0.585 822 E N 1.422 121.536 120.200 -0.144 0.000 2.249 822 E HA 0.657 5.005 4.350 -0.003 0.000 0.280 822 E C -1.352 175.146 176.600 -0.170 0.000 1.016 822 E CA -0.408 55.916 56.400 -0.127 0.000 0.830 822 E CB 1.018 30.625 29.700 -0.155 0.000 1.081 822 E HN 0.247 nan 8.360 nan 0.000 0.395 823 D N 1.039 121.340 120.400 -0.166 0.000 2.694 823 D HA 0.221 4.858 4.640 -0.003 0.000 0.260 823 D C -1.972 174.268 176.300 -0.101 0.000 1.250 823 D CA -0.607 53.309 54.000 -0.141 0.000 0.763 823 D CB 1.048 41.789 40.800 -0.099 0.000 1.311 823 D HN 0.274 nan 8.370 nan 0.000 0.420 824 F N 2.111 122.035 119.950 -0.043 0.000 2.564 824 F HA 0.375 4.900 4.527 -0.004 0.000 0.368 824 F C 0.493 176.418 175.800 0.210 0.000 1.127 824 F CA -0.324 57.760 58.000 0.139 0.000 1.170 824 F CB 1.140 40.211 39.000 0.119 0.000 1.397 824 F HN 0.304 nan 8.300 nan 0.000 0.493 825 E N 1.160 121.457 120.200 0.162 0.000 2.306 825 E HA 0.125 4.473 4.350 -0.003 0.000 0.201 825 E C -0.559 176.037 176.600 -0.008 0.000 0.874 825 E CA 0.524 56.986 56.400 0.104 0.000 0.972 825 E CB 0.325 30.155 29.700 0.217 0.000 0.957 825 E HN 0.340 nan 8.360 nan 0.000 0.492 826 D N 0.954 121.162 120.400 -0.319 0.000 2.317 826 D HA 0.189 4.827 4.640 -0.003 0.000 0.234 826 D C 1.053 177.007 176.300 -0.577 0.000 1.112 826 D CA -0.167 53.549 54.000 -0.472 0.000 0.840 826 D CB 1.332 41.754 40.800 -0.631 0.000 1.078 826 D HN 0.157 nan 8.370 nan 0.000 0.486 827 I N 1.313 121.626 120.570 -0.428 0.000 2.264 827 I HA -0.321 3.847 4.170 -0.003 0.000 0.248 827 I C 2.082 178.084 176.117 -0.191 0.000 1.111 827 I CA 1.418 62.506 61.300 -0.354 0.000 1.382 827 I CB 0.053 37.790 38.000 -0.437 0.000 1.060 827 I HN 0.183 nan 8.210 nan 0.000 0.418 828 K N 0.436 120.711 120.400 -0.209 0.000 2.141 828 K HA 0.014 4.332 4.320 -0.003 0.000 0.202 828 K C 2.082 178.652 176.600 -0.050 0.000 1.045 828 K CA 0.585 56.822 56.287 -0.084 0.000 0.971 828 K CB 0.011 32.458 32.500 -0.088 0.000 0.795 828 K HN 0.130 nan 8.250 nan 0.000 0.459 829 K N 0.374 120.675 120.400 -0.165 0.000 2.147 829 K HA -0.117 4.201 4.320 -0.003 0.000 0.205 829 K C 1.203 177.810 176.600 0.012 0.000 1.049 829 K CA 1.242 57.448 56.287 -0.136 0.000 0.936 829 K CB -0.094 32.236 32.500 -0.284 0.000 0.722 829 K HN 0.364 nan 8.250 nan 0.000 0.446 830 H N -0.955 118.109 119.070 -0.011 0.000 2.519 830 H HA 0.234 4.788 4.556 -0.003 0.000 0.289 830 H C 0.894 176.444 175.328 0.371 0.000 1.040 830 H CA -0.369 55.743 56.048 0.107 0.000 1.165 830 H CB 0.590 30.313 29.762 -0.065 0.000 1.462 830 H HN 0.158 nan 8.280 nan 0.000 0.555 831 A N 0.955 124.032 122.820 0.427 0.000 2.337 831 A HA 0.071 4.389 4.320 -0.003 0.000 0.227 831 A C 1.080 178.892 177.584 0.379 0.000 1.259 831 A CA 0.072 52.387 52.037 0.464 0.000 0.870 831 A CB -0.284 18.938 19.000 0.371 0.000 0.927 831 A HN 0.318 nan 8.150 nan 0.000 0.497 832 T N -4.522 110.236 114.554 0.341 0.000 2.930 832 T HA 0.587 4.935 4.350 -0.003 0.000 0.290 832 T C 0.987 175.853 174.700 0.278 0.000 1.052 832 T CA -0.686 61.587 62.100 0.288 0.000 1.017 832 T CB 0.956 69.934 68.868 0.184 0.000 1.137 832 T HN -0.033 nan 8.240 nan 0.000 0.511 833 L N 1.105 122.416 121.223 0.146 0.000 1.989 833 L HA -0.102 4.236 4.340 -0.003 0.000 0.211 833 L C 2.849 179.891 176.870 0.285 0.000 1.071 833 L CA 1.178 56.101 54.840 0.138 0.000 0.749 833 L CB -0.729 41.237 42.059 -0.155 0.000 0.890 833 L HN 0.577 nan 8.230 nan 0.000 0.431 834 V N 0.020 120.091 119.914 0.261 0.000 2.427 834 V HA -0.176 3.942 4.120 -0.003 0.000 0.248 834 V C 2.559 178.793 176.094 0.233 0.000 1.051 834 V CA 1.898 64.365 62.300 0.279 0.000 1.048 834 V CB -1.023 30.894 31.823 0.156 0.000 0.666 834 V HN 0.585 nan 8.190 nan 0.000 0.456 835 G N -0.471 108.460 108.800 0.220 0.000 2.422 835 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.218 835 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.218 835 G C 1.454 176.541 174.900 0.312 0.000 1.146 835 G CA 0.848 46.092 45.100 0.240 0.000 0.769 835 G HN 0.623 nan 8.290 nan 0.000 0.547 836 A N -0.440 122.550 122.820 0.283 0.000 2.275 836 A HA 0.502 4.820 4.320 -0.003 0.000 0.212 836 A C 1.775 179.437 177.584 0.130 0.000 1.201 836 A CA 1.124 53.262 52.037 0.167 0.000 0.843 836 A CB -0.356 18.802 19.000 0.263 0.000 0.873 836 A HN 1.581 nan 8.150 nan 0.000 0.492 837 G N -1.090 107.833 108.800 0.204 0.000 2.149 837 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.235 837 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.235 837 G C -0.013 174.995 174.900 0.178 0.000 1.018 837 G CA -0.022 45.190 45.100 0.187 0.000 0.728 837 G HN 0.692 nan 8.290 nan 0.000 0.508 838 F N 1.534 121.538 119.950 0.091 0.000 2.629 838 F HA 0.442 4.967 4.527 -0.003 0.000 0.377 838 F C -1.568 174.195 175.800 -0.060 0.000 1.101 838 F CA -1.172 56.807 58.000 -0.035 0.000 1.301 838 F CB 0.782 39.693 39.000 -0.150 0.000 1.062 838 F HN 0.037 nan 8.300 nan 0.000 0.583 839 P HA 0.155 nan 4.420 nan 0.000 0.286 839 P C -0.923 176.335 177.300 -0.070 0.000 1.321 839 P CA 0.098 63.084 63.100 -0.190 0.000 0.790 839 P CB 0.165 31.722 31.700 -0.238 0.000 0.897 840 F N 1.665 121.749 119.950 0.223 0.000 2.368 840 F HA 0.276 4.801 4.527 -0.004 0.000 0.308 840 F C 2.271 177.975 175.800 -0.159 0.000 1.198 840 F CA -0.236 57.877 58.000 0.189 0.000 1.130 840 F CB 0.180 39.271 39.000 0.151 0.000 1.300 840 F HN 0.218 nan 8.300 nan 0.000 0.537 841 I N 0.809 121.209 120.570 -0.283 0.000 2.264 841 I HA -0.268 3.900 4.170 -0.003 0.000 0.248 841 I C 2.001 177.978 176.117 -0.233 0.000 1.111 841 I CA 1.378 62.219 61.300 -0.765 0.000 1.382 841 I CB -0.070 37.599 38.000 -0.551 0.000 1.060 841 I HN 0.404 nan 8.210 nan 0.000 0.418 842 K N 0.458 120.831 120.400 -0.045 0.000 2.362 842 K HA -0.156 4.162 4.320 -0.003 0.000 0.200 842 K C 1.900 178.509 176.600 0.015 0.000 1.046 842 K CA 1.002 57.290 56.287 0.002 0.000 0.952 842 K CB -0.294 32.222 32.500 0.027 0.000 0.753 842 K HN 0.429 nan 8.250 nan 0.000 0.466 843 Q N -0.159 119.659 119.800 0.029 0.000 2.378 843 Q HA 0.067 4.405 4.340 -0.003 0.000 0.205 843 Q C 0.028 176.042 176.000 0.023 0.000 0.954 843 Q CA 0.554 56.380 55.803 0.038 0.000 0.901 843 Q CB 0.350 29.125 28.738 0.062 0.000 0.981 843 Q HN 0.083 nan 8.270 nan 0.000 0.483 844 I N 2.516 123.094 120.570 0.013 0.000 2.339 844 I HA 0.291 4.459 4.170 -0.003 0.000 0.290 844 I C -2.320 173.811 176.117 0.024 0.000 0.994 844 I CA -3.356 57.971 61.300 0.043 0.000 1.191 844 I CB 0.874 38.962 38.000 0.146 0.000 1.343 844 I HN -0.096 nan 8.210 nan 0.000 0.458 845 P HA 0.078 nan 4.420 nan 0.000 0.272 845 P C 0.305 177.598 177.300 -0.011 0.000 1.223 845 P CA -0.007 63.097 63.100 0.007 0.000 0.784 845 P CB 1.474 33.180 31.700 0.010 0.000 0.923 846 D N 1.191 121.582 120.400 -0.015 0.000 2.219 846 D HA -0.127 4.511 4.640 -0.003 0.000 0.205 846 D C 0.765 177.024 176.300 -0.067 0.000 0.970 846 D CA 1.104 55.081 54.000 -0.038 0.000 0.851 846 D CB -0.089 40.699 40.800 -0.020 0.000 0.943 846 D HN 0.264 nan 8.370 nan 0.000 0.488 847 K N 0.798 121.175 120.400 -0.038 0.000 2.171 847 K HA 0.163 4.481 4.320 -0.003 0.000 0.274 847 K C -0.958 175.623 176.600 -0.031 0.000 1.110 847 K CA -0.110 56.159 56.287 -0.031 0.000 0.952 847 K CB -0.374 32.122 32.500 -0.006 0.000 1.309 847 K HN 0.149 nan 8.250 nan 0.000 0.414 848 L N 4.290 125.467 121.223 -0.078 0.000 2.342 848 L HA 0.346 4.684 4.340 -0.003 0.000 0.276 848 L C -0.881 176.038 176.870 0.081 0.000 0.997 848 L CA -0.877 53.949 54.840 -0.023 0.000 0.838 848 L CB 1.613 43.569 42.059 -0.170 0.000 1.224 848 L HN 0.441 nan 8.230 nan 0.000 0.416 849 D N 4.365 124.826 120.400 0.102 0.000 2.278 849 D HA 0.601 5.239 4.640 -0.003 0.000 0.245 849 D C -0.374 175.944 176.300 0.030 0.000 1.052 849 D CA -0.099 53.949 54.000 0.079 0.000 0.834 849 D CB 2.790 43.608 40.800 0.031 0.000 1.194 849 D HN 0.231 nan 8.370 nan 0.000 0.481 850 I N 1.161 121.709 120.570 -0.036 0.000 2.474 850 I HA 0.378 4.546 4.170 -0.003 0.000 0.294 850 I C -0.478 175.469 176.117 -0.282 0.000 1.005 850 I CA -1.054 60.096 61.300 -0.251 0.000 1.113 850 I CB 2.176 39.893 38.000 -0.471 0.000 1.289 850 I HN -0.082 nan 8.210 nan 0.000 0.436 851 V N 6.036 125.766 119.914 -0.307 0.000 2.407 851 V HA 0.304 4.422 4.120 -0.003 0.000 0.291 851 V C -0.929 175.019 176.094 -0.244 0.000 1.018 851 V CA -0.729 61.445 62.300 -0.210 0.000 0.842 851 V CB 1.077 32.850 31.823 -0.085 0.000 0.996 851 V HN 0.386 nan 8.190 nan 0.000 0.426 852 Y N 3.440 123.735 120.300 -0.009 0.000 2.393 852 Y HA 0.428 4.976 4.550 -0.003 0.000 0.338 852 Y C 0.474 176.393 175.900 0.032 0.000 1.029 852 Y CA -0.495 57.604 58.100 -0.001 0.000 1.239 852 Y CB 1.318 39.775 38.460 -0.006 0.000 1.170 852 Y HN 0.377 nan 8.280 nan 0.000 0.515 853 V N 4.722 124.756 119.914 0.199 0.000 2.260 853 V HA 0.229 4.347 4.120 -0.003 0.000 0.263 853 V C -0.581 175.677 176.094 0.274 0.000 1.036 853 V CA -1.006 61.411 62.300 0.195 0.000 0.874 853 V CB -0.107 31.800 31.823 0.141 0.000 1.116 853 V HN 0.670 nan 8.190 nan 0.000 0.454 854 N N 2.453 121.303 118.700 0.250 0.000 2.422 854 N HA 0.321 5.059 4.740 -0.003 0.000 0.264 854 N C -0.239 175.440 175.510 0.282 0.000 1.063 854 N CA -0.045 53.149 53.050 0.240 0.000 0.959 854 N CB 0.639 39.212 38.487 0.143 0.000 1.087 854 N HN 0.581 nan 8.380 nan 0.000 0.483 855 H N 2.477 121.598 119.070 0.084 0.000 2.673 855 H HA 0.246 4.800 4.556 -0.003 0.000 0.293 855 H C -2.096 173.279 175.328 0.078 0.000 1.065 855 H CA -1.806 54.285 56.048 0.072 0.000 1.236 855 H CB 1.259 31.053 29.762 0.054 0.000 1.389 855 H HN 0.249 nan 8.280 nan 0.000 0.481 856 P HA -0.085 nan 4.420 nan 0.000 0.261 856 P C -0.024 177.345 177.300 0.115 0.000 1.173 856 P CA 0.191 63.364 63.100 0.122 0.000 0.760 856 P CB 0.583 32.335 31.700 0.086 0.000 0.783 857 R N 5.566 126.128 120.500 0.105 0.000 2.340 857 R HA 0.158 4.496 4.340 -0.003 0.000 0.300 857 R C -1.617 174.719 176.300 0.060 0.000 1.069 857 R CA -1.995 54.159 56.100 0.090 0.000 0.984 857 R CB -0.535 29.814 30.300 0.083 0.000 1.003 857 R HN 0.362 nan 8.270 nan 0.000 0.459 858 P HA -0.113 nan 4.420 nan 0.000 0.216 858 P C 0.108 177.441 177.300 0.056 0.000 1.150 858 P CA 1.296 64.431 63.100 0.059 0.000 0.837 858 P CB 0.389 32.131 31.700 0.070 0.000 0.786 859 D N -2.000 118.443 120.400 0.073 0.000 2.398 859 D HA 0.144 4.782 4.640 -0.003 0.000 0.210 859 D C 1.130 177.382 176.300 -0.080 0.000 1.094 859 D CA 0.233 54.300 54.000 0.112 0.000 0.839 859 D CB -0.028 40.928 40.800 0.260 0.000 0.963 859 D HN 0.042 nan 8.370 nan 0.000 0.506 860 G N 1.843 110.582 108.800 -0.102 0.000 2.476 860 G HA2 0.380 4.338 3.960 -0.003 0.000 0.269 860 G HA3 0.380 4.338 3.960 -0.003 0.000 0.269 860 G C -2.528 172.192 174.900 -0.300 0.000 1.195 860 G CA -1.059 43.925 45.100 -0.193 0.000 0.843 860 G HN -0.137 nan 8.290 nan 0.000 0.545 861 P HA 0.120 nan 4.420 nan 0.000 0.271 861 P C -0.341 176.646 177.300 -0.521 0.000 1.233 861 P CA -0.045 62.668 63.100 -0.646 0.000 0.764 861 P CB 0.142 31.510 31.700 -0.552 0.000 0.825 862 F N 2.417 122.177 119.950 -0.317 0.000 3.093 862 F HA -0.217 4.308 4.527 -0.003 0.000 0.283 862 F C 1.495 177.231 175.800 -0.107 0.000 0.848 862 F CA 1.422 59.211 58.000 -0.352 0.000 1.059 862 F CB -2.800 35.667 39.000 -0.888 0.000 1.191 862 F HN 0.668 nan 8.300 nan 0.000 0.514 863 G N -1.638 107.176 108.800 0.023 0.000 2.175 863 G HA2 0.103 4.061 3.960 -0.003 0.000 0.244 863 G HA3 0.103 4.061 3.960 -0.003 0.000 0.244 863 G C 0.344 175.322 174.900 0.131 0.000 0.982 863 G CA -0.041 45.107 45.100 0.081 0.000 0.641 863 G HN 1.608 nan 8.290 nan 0.000 0.527 864 A N 0.323 123.251 122.820 0.180 0.000 2.388 864 A HA 0.769 5.087 4.320 -0.003 0.000 0.257 864 A C 0.938 178.571 177.584 0.081 0.000 1.095 864 A CA 1.013 53.168 52.037 0.196 0.000 0.791 864 A CB 0.521 19.726 19.000 0.342 0.000 1.029 864 A HN 1.940 nan 8.150 nan 0.000 0.489 865 S N 1.653 117.395 115.700 0.070 0.000 2.738 865 S HA 0.762 5.230 4.470 -0.003 0.000 0.284 865 S C 0.663 175.265 174.600 0.004 0.000 1.146 865 S CA -0.165 58.050 58.200 0.025 0.000 0.997 865 S CB 0.853 64.078 63.200 0.040 0.000 1.081 865 S HN 1.408 nan 8.310 nan 0.000 0.553 866 G N -1.168 107.614 108.800 -0.030 0.000 2.653 866 G HA2 0.436 4.394 3.960 -0.003 0.000 0.265 866 G HA3 0.436 4.394 3.960 -0.003 0.000 0.265 866 G C 0.302 175.192 174.900 -0.016 0.000 1.237 866 G CA -0.015 45.067 45.100 -0.029 0.000 0.946 866 G HN 1.195 nan 8.290 nan 0.000 0.522 867 V N -0.879 119.027 119.914 -0.013 0.000 3.294 867 V HA 0.249 4.367 4.120 -0.003 0.000 0.255 867 V C 2.301 178.385 176.094 -0.018 0.000 1.528 867 V CA 1.633 63.926 62.300 -0.012 0.000 1.086 867 V CB -0.171 31.646 31.823 -0.009 0.000 0.906 867 V HN 0.900 nan 8.190 nan 0.000 0.433 868 G N 0.378 109.166 108.800 -0.020 0.000 2.529 868 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.219 868 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.219 868 G C 1.174 176.054 174.900 -0.032 0.000 1.177 868 G CA 1.622 46.704 45.100 -0.029 0.000 0.773 868 G HN 0.619 nan 8.290 nan 0.000 0.573 869 E N -0.464 119.704 120.200 -0.053 0.000 2.447 869 E HA 0.165 4.513 4.350 -0.003 0.000 0.195 869 E C 2.196 178.727 176.600 -0.115 0.000 1.028 869 E CA -0.375 55.955 56.400 -0.116 0.000 0.876 869 E CB 0.080 29.637 29.700 -0.238 0.000 0.885 869 E HN 0.290 nan 8.360 nan 0.000 0.500 870 L N 2.688 123.880 121.223 -0.051 0.000 2.021 870 L HA -0.151 4.187 4.340 -0.003 0.000 0.215 870 L C -0.968 175.958 176.870 0.094 0.000 1.074 870 L CA 2.131 56.965 54.840 -0.011 0.000 0.760 870 L CB -0.829 41.215 42.059 -0.025 0.000 0.889 870 L HN 0.073 nan 8.230 nan 0.000 0.433 871 P HA -0.107 nan 4.420 nan 0.000 0.242 871 P C 1.317 178.759 177.300 0.237 0.000 1.197 871 P CA 0.795 64.033 63.100 0.230 0.000 0.765 871 P CB 0.119 31.883 31.700 0.108 0.000 0.936 872 L N 0.125 121.385 121.223 0.062 0.000 2.766 872 L HA 0.156 4.494 4.340 -0.003 0.000 0.242 872 L C 1.955 178.760 176.870 -0.108 0.000 1.136 872 L CA 0.786 55.591 54.840 -0.058 0.000 0.933 872 L CB -1.011 40.977 42.059 -0.118 0.000 1.241 872 L HN -0.095 nan 8.230 nan 0.000 0.522 873 T N -3.095 111.412 114.554 -0.078 0.000 2.652 873 T HA -0.131 4.217 4.350 -0.003 0.000 0.267 873 T C 1.250 175.826 174.700 -0.206 0.000 1.039 873 T CA 1.501 63.507 62.100 -0.155 0.000 1.153 873 T CB -0.473 68.355 68.868 -0.067 0.000 0.863 873 T HN 0.435 nan 8.240 nan 0.000 0.428 874 S N -0.144 115.265 115.700 -0.485 0.000 3.093 874 S HA 0.339 4.807 4.470 -0.003 0.000 0.251 874 S C -1.701 172.178 174.600 -1.201 0.000 0.905 874 S CA -0.601 57.100 58.200 -0.833 0.000 1.124 874 S CB 0.910 63.800 63.200 -0.516 0.000 1.124 874 S HN 0.330 nan 8.310 nan 0.000 0.574 875 P HA -0.180 nan 4.420 nan 0.000 0.218 875 P C 1.428 178.492 177.300 -0.393 0.000 1.149 875 P CA 1.524 64.067 63.100 -0.929 0.000 0.817 875 P CB -0.453 31.002 31.700 -0.408 0.000 0.785 876 H N -0.026 118.847 119.070 -0.328 0.000 2.457 876 H HA 0.125 4.679 4.556 -0.003 0.000 0.294 876 H C 1.824 177.155 175.328 0.004 0.000 1.064 876 H CA 1.274 57.216 56.048 -0.176 0.000 1.330 876 H CB -1.363 28.245 29.762 -0.257 0.000 1.395 876 H HN 0.076 nan 8.280 nan 0.000 0.541 877 A N 1.913 124.493 122.820 -0.401 0.000 1.873 877 A HA 0.077 4.395 4.320 -0.003 0.000 0.215 877 A C 2.817 180.290 177.584 -0.183 0.000 1.186 877 A CA 1.814 53.709 52.037 -0.237 0.000 0.616 877 A CB -1.017 17.740 19.000 -0.405 0.000 0.823 877 A HN 0.550 nan 8.150 nan 0.000 0.442 878 A N 0.002 122.694 122.820 -0.214 0.000 1.908 878 A HA -0.122 4.196 4.320 -0.003 0.000 0.218 878 A C 2.119 179.678 177.584 -0.041 0.000 1.181 878 A CA 1.629 53.609 52.037 -0.095 0.000 0.627 878 A CB -0.643 18.330 19.000 -0.045 0.000 0.818 878 A HN 0.507 nan 8.150 nan 0.000 0.445 879 I N -0.982 119.562 120.570 -0.042 0.000 2.179 879 I HA -0.237 3.931 4.170 -0.003 0.000 0.242 879 I C 2.184 178.308 176.117 0.012 0.000 1.088 879 I CA 1.133 62.431 61.300 -0.003 0.000 1.357 879 I CB -0.275 37.723 38.000 -0.004 0.000 1.051 879 I HN 0.220 nan 8.210 nan 0.000 0.409 880 I N 0.994 121.585 120.570 0.036 0.000 2.286 880 I HA -0.257 3.911 4.170 -0.003 0.000 0.248 880 I C 2.100 178.208 176.117 -0.014 0.000 1.115 880 I CA 1.394 62.722 61.300 0.046 0.000 1.392 880 I CB -0.759 37.347 38.000 0.178 0.000 1.065 880 I HN 0.227 nan 8.210 nan 0.000 0.418 881 N N 0.495 119.171 118.700 -0.039 0.000 2.244 881 N HA -0.076 4.662 4.740 -0.003 0.000 0.183 881 N C 1.891 177.401 175.510 -0.001 0.000 1.016 881 N CA 1.368 54.395 53.050 -0.039 0.000 0.866 881 N CB -0.301 38.156 38.487 -0.050 0.000 0.980 881 N HN 0.395 nan 8.380 nan 0.000 0.430 882 A N 0.818 123.645 122.820 0.012 0.000 1.929 882 A HA 0.026 4.344 4.320 -0.003 0.000 0.216 882 A C 2.281 179.875 177.584 0.017 0.000 1.176 882 A CA 0.583 52.636 52.037 0.028 0.000 0.628 882 A CB -0.487 18.534 19.000 0.035 0.000 0.816 882 A HN 0.180 nan 8.150 nan 0.000 0.444 883 I N -0.381 120.195 120.570 0.010 0.000 2.208 883 I HA -0.270 3.898 4.170 -0.003 0.000 0.245 883 I C 2.516 178.633 176.117 -0.001 0.000 1.097 883 I CA 1.865 63.168 61.300 0.005 0.000 1.363 883 I CB -0.145 37.858 38.000 0.004 0.000 1.051 883 I HN 0.287 nan 8.210 nan 0.000 0.413 884 K N 1.008 121.402 120.400 -0.010 0.000 2.026 884 K HA -0.185 4.133 4.320 -0.003 0.000 0.208 884 K C 2.271 178.872 176.600 0.002 0.000 1.048 884 K CA 2.040 58.319 56.287 -0.013 0.000 0.929 884 K CB -0.595 31.886 32.500 -0.031 0.000 0.713 884 K HN 0.144 nan 8.250 nan 0.000 0.439 885 S N -0.402 115.305 115.700 0.012 0.000 2.365 885 S HA -0.185 4.283 4.470 -0.003 0.000 0.225 885 S C 2.001 176.609 174.600 0.012 0.000 1.039 885 S CA 1.667 59.879 58.200 0.020 0.000 1.033 885 S CB -0.634 62.587 63.200 0.036 0.000 0.887 885 S HN 0.464 nan 8.310 nan 0.000 0.447 886 A N 0.058 122.885 122.820 0.011 0.000 1.930 886 A HA 0.019 4.337 4.320 -0.003 0.000 0.217 886 A C 2.326 179.913 177.584 0.005 0.000 1.175 886 A CA 2.131 54.174 52.037 0.009 0.000 0.627 886 A CB -0.768 18.238 19.000 0.011 0.000 0.815 886 A HN 0.822 nan 8.150 nan 0.000 0.443 887 T N -7.047 107.509 114.554 0.004 0.000 3.009 887 T HA 0.441 4.789 4.350 -0.003 0.000 0.267 887 T C 1.376 176.079 174.700 0.005 0.000 0.942 887 T CA 1.034 63.135 62.100 0.002 0.000 0.883 887 T CB 0.423 69.290 68.868 -0.001 0.000 1.192 887 T HN 1.751 nan 8.240 nan 0.000 0.524 888 G N 1.733 110.536 108.800 0.006 0.000 2.205 888 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.261 888 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.261 888 G C 0.222 175.127 174.900 0.008 0.000 0.980 888 G CA 0.353 45.459 45.100 0.009 0.000 0.632 888 G HN 1.672 nan 8.290 nan 0.000 0.533 889 V N -1.317 118.598 119.914 0.002 0.000 2.461 889 V HA 0.807 4.925 4.120 -0.003 0.000 0.275 889 V C 0.321 176.393 176.094 -0.036 0.000 1.047 889 V CA -0.501 61.800 62.300 0.000 0.000 0.955 889 V CB 1.475 33.303 31.823 0.008 0.000 0.988 889 V HN 0.547 nan 8.190 nan 0.000 0.471 890 R N 5.513 125.967 120.500 -0.077 0.000 2.295 890 R HA 0.569 4.907 4.340 -0.003 0.000 0.324 890 R C -0.882 175.246 176.300 -0.286 0.000 0.968 890 R CA -0.812 55.144 56.100 -0.240 0.000 0.837 890 R CB 1.142 31.181 30.300 -0.435 0.000 1.133 890 R HN 0.796 nan 8.270 nan 0.000 0.450 891 I N 6.329 126.802 120.570 -0.163 0.000 2.352 891 I HA 0.072 4.240 4.170 -0.003 0.000 0.290 891 I C 0.118 176.247 176.117 0.019 0.000 1.036 891 I CA -0.073 61.216 61.300 -0.019 0.000 1.336 891 I CB 0.745 38.781 38.000 0.061 0.000 1.407 891 I HN 0.824 nan 8.210 nan 0.000 0.497 892 Y N 5.317 125.757 120.300 0.233 0.000 2.509 892 Y HA 0.213 4.761 4.550 -0.003 0.000 0.270 892 Y C 0.820 176.994 175.900 0.455 0.000 1.103 892 Y CA 0.187 58.484 58.100 0.329 0.000 1.278 892 Y CB 0.349 38.834 38.460 0.042 0.000 1.087 892 Y HN 0.358 nan 8.280 nan 0.000 0.542 893 R N 1.102 121.856 120.500 0.423 0.000 2.388 893 R HA 0.419 4.757 4.340 -0.003 0.000 0.314 893 R C -1.137 175.265 176.300 0.171 0.000 0.959 893 R CA -0.368 55.940 56.100 0.345 0.000 0.851 893 R CB 1.356 31.802 30.300 0.243 0.000 1.168 893 R HN 0.050 nan 8.270 nan 0.000 0.472 894 L N 4.433 125.669 121.223 0.021 0.000 2.453 894 L HA 0.377 4.715 4.340 -0.003 0.000 0.261 894 L C -1.694 175.083 176.870 -0.156 0.000 1.179 894 L CA -1.769 52.954 54.840 -0.194 0.000 0.813 894 L CB 0.408 42.185 42.059 -0.470 0.000 1.110 894 L HN 0.296 nan 8.230 nan 0.000 0.466 895 P HA 0.167 nan 4.420 nan 0.000 0.281 895 P C -1.075 175.967 177.300 -0.429 0.000 1.264 895 P CA -0.708 62.107 63.100 -0.475 0.000 0.824 895 P CB 1.169 32.464 31.700 -0.674 0.000 1.092 896 A N 1.719 124.386 122.820 -0.254 0.000 3.051 896 A HA 0.180 4.497 4.320 -0.003 0.000 0.257 896 A C -0.149 177.403 177.584 -0.054 0.000 1.785 896 A CA -0.259 51.715 52.037 -0.106 0.000 1.420 896 A CB -1.883 17.094 19.000 -0.039 0.000 1.063 896 A HN 0.329 nan 8.150 nan 0.000 0.630 897 Y N 0.343 120.653 120.300 0.016 0.000 2.788 897 Y HA 0.054 4.602 4.550 -0.003 0.000 0.341 897 Y C -1.103 174.808 175.900 0.018 0.000 1.258 897 Y CA -0.810 57.301 58.100 0.018 0.000 1.503 897 Y CB -0.118 38.357 38.460 0.025 0.000 1.325 897 Y HN 0.394 nan 8.280 nan 0.000 0.614 898 P HA -0.225 nan 4.420 nan 0.000 0.216 898 P C 1.414 178.765 177.300 0.085 0.000 1.153 898 P CA 2.062 65.223 63.100 0.101 0.000 0.858 898 P CB 0.208 31.953 31.700 0.074 0.000 0.789 899 E N -0.004 120.248 120.200 0.088 0.000 2.110 899 E HA -0.242 4.106 4.350 -0.003 0.000 0.193 899 E C 2.072 178.718 176.600 0.077 0.000 0.988 899 E CA 1.127 57.563 56.400 0.060 0.000 0.804 899 E CB -0.206 29.513 29.700 0.032 0.000 0.745 899 E HN 0.072 nan 8.360 nan 0.000 0.458 900 K N 0.122 120.596 120.400 0.123 0.000 2.057 900 K HA -0.123 4.195 4.320 -0.003 0.000 0.207 900 K C 2.041 178.689 176.600 0.081 0.000 1.049 900 K CA 1.366 57.722 56.287 0.114 0.000 0.931 900 K CB 0.056 32.649 32.500 0.155 0.000 0.714 900 K HN 0.044 nan 8.250 nan 0.000 0.440 901 V N 1.539 121.497 119.914 0.073 0.000 2.343 901 V HA -0.236 3.882 4.120 -0.003 0.000 0.247 901 V C 2.275 178.391 176.094 0.036 0.000 1.051 901 V CA 1.304 63.632 62.300 0.048 0.000 1.036 901 V CB -0.392 31.453 31.823 0.037 0.000 0.654 901 V HN 0.325 nan 8.190 nan 0.000 0.451 902 L N 0.213 121.457 121.223 0.035 0.000 2.046 902 L HA -0.145 4.193 4.340 -0.003 0.000 0.208 902 L C 2.396 179.281 176.870 0.025 0.000 1.077 902 L CA 1.867 56.720 54.840 0.022 0.000 0.747 902 L CB -0.736 41.334 42.059 0.019 0.000 0.896 902 L HN 0.376 nan 8.230 nan 0.000 0.432 903 E N -0.795 119.425 120.200 0.034 0.000 2.085 903 E HA -0.235 4.113 4.350 -0.003 0.000 0.194 903 E C 2.159 178.780 176.600 0.035 0.000 0.994 903 E CA 1.196 57.616 56.400 0.033 0.000 0.801 903 E CB -0.278 29.446 29.700 0.040 0.000 0.743 903 E HN 0.623 nan 8.360 nan 0.000 0.453 904 A N 0.999 123.845 122.820 0.043 0.000 1.898 904 A HA -0.129 4.189 4.320 -0.003 0.000 0.216 904 A C 2.171 179.775 177.584 0.033 0.000 1.181 904 A CA 0.898 52.962 52.037 0.045 0.000 0.620 904 A CB -0.569 18.464 19.000 0.055 0.000 0.819 904 A HN 0.132 nan 8.150 nan 0.000 0.442 905 L N -0.949 120.289 121.223 0.024 0.000 2.127 905 L HA -0.180 4.158 4.340 -0.003 0.000 0.211 905 L C 2.179 179.058 176.870 0.014 0.000 1.089 905 L CA 1.609 56.458 54.840 0.015 0.000 0.757 905 L CB -0.246 41.816 42.059 0.006 0.000 0.899 905 L HN 0.336 nan 8.230 nan 0.000 0.434 906 K N -0.511 119.899 120.400 0.016 0.000 2.374 906 K HA 0.222 4.540 4.320 -0.003 0.000 0.196 906 K C 0.901 177.510 176.600 0.015 0.000 1.023 906 K CA -0.054 56.241 56.287 0.013 0.000 1.103 906 K CB 0.379 32.886 32.500 0.011 0.000 0.848 906 K HN 0.189 nan 8.250 nan 0.000 0.528 907 A N 0.000 122.832 122.820 0.020 0.000 2.254 907 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 907 A CA 0.000 52.049 52.037 0.021 0.000 0.836 907 A CB 0.000 19.017 19.000 0.028 0.000 0.831 907 A HN 0.000 nan 8.150 nan 0.000 0.486