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 3e3n_1_D DATA FIRST_RESID 7 DATA SEQUENCE QEKRKQISVR GLAGVENVTE LKKNFNRHLH FTLVKDRNVA TPRDYYFALA DATA SEQUENCE HTVRDHLVGR WIRTQQHYYE KDPKRIYYLS LEFYMGRTLQ NTMVNLALEN DATA SEQUENCE ACDEATYQLG LDMEELEEIE EDAGLGNGGL GRLAACFLDS MATLGLAAYG DATA SEQUENCE YGIRYEFGIF NQKICGGWQM EEADDWLRYG NPWEKARPEF TLPVHFYGRV DATA SEQUENCE EHTSQGAKWV DTQVVLAMPY DTPVPGYRNN VVNTMRLWSA KAPNXXXXXX DATA SEQUENCE XXXXGYIQAV LDRNLAENIS RVLYXXXXXX XGKELRLKQE YFVVAATLQD DATA SEQUENCE IIRRFKSSKF GCRDPVRTNF DAFPDKVAIQ LNDTHPSLAI PELMRVLVDL DATA SEQUENCE ERLDWDKAWE VTVKTCAYTN HTVLPEALER WPVHLLETLL PRHLQIIYEI DATA SEQUENCE NQRFLNRVAA AFPGDVDRLR RMSLVEEGAV KRINMAHLCI AGSHAVNGVA DATA SEQUENCE RIHSEILKKT IFKDFYELEP HKFQNKTNGI TPRRWLVLCN PGLAEIIAER DATA SEQUENCE IGEEYISDLD QLRKLLSYVD DEAFIRDVAK VKQENKLKFA AYLEREYKVH DATA SEQUENCE INPNSLFDVQ VKRIHEYKRQ LLNCLHVITL YNRIKKEPNK FVVPRTVMIG DATA SEQUENCE GKAAPGYHMA KMIIKLITAI GDVVNHDPVV GDRLRVIFLE NYRVSLAEKV DATA SEQUENCE IPAADLSEQI STAGTEASGT GNMXFMLNGA LTIGTMDGAN VEMAEEAGEE DATA SEQUENCE NFFIFGMRVE DVDRLDQRGY NAQEYYDRIP ELRQIIEQLS SGFFSPKQPD DATA SEQUENCE LFKDIVNMLM HHDRFKVFAD YEEYVKCQER VSALYKNPRE WTRMVIRNIA DATA SEQUENCE TSGKFSSDRT IAQYAREIWG VEPSRQRLPA PD 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 175.999 176.000 -0.001 0.000 1.003 7 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 7 Q CB 0.000 28.736 28.738 -0.004 0.000 1.108 8 E N 0.252 120.453 120.200 0.001 0.000 2.354 8 E HA 0.083 4.433 4.350 -0.001 0.000 0.260 8 E C 0.522 177.123 176.600 0.003 0.000 1.405 8 E CA -0.102 56.300 56.400 0.003 0.000 1.728 8 E CB 0.209 29.913 29.700 0.007 0.000 1.471 8 E HN 0.227 nan 8.360 nan 0.000 0.441 9 K N 1.073 121.473 120.400 0.000 0.000 2.217 9 K HA -0.060 4.260 4.320 -0.001 0.000 0.202 9 K C 1.611 178.211 176.600 -0.000 0.000 1.051 9 K CA 0.623 56.910 56.287 -0.000 0.000 0.952 9 K CB 0.094 32.593 32.500 -0.003 0.000 0.736 9 K HN 0.219 nan 8.250 nan 0.000 0.453 10 R N 0.972 121.471 120.500 -0.001 0.000 2.346 10 R HA 0.021 4.360 4.340 -0.001 0.000 0.199 10 R C 0.738 177.039 176.300 0.002 0.000 1.015 10 R CA 0.501 56.600 56.100 -0.002 0.000 1.058 10 R CB -0.098 30.199 30.300 -0.006 0.000 0.921 10 R HN -0.000 nan 8.270 nan 0.000 0.475 11 K N 1.059 121.462 120.400 0.006 0.000 2.439 11 K HA -0.088 4.232 4.320 -0.001 0.000 0.197 11 K C 1.458 178.064 176.600 0.011 0.000 1.041 11 K CA 0.703 56.997 56.287 0.012 0.000 0.970 11 K CB 0.104 32.613 32.500 0.015 0.000 0.773 11 K HN 0.393 nan 8.250 nan 0.000 0.479 12 Q N 0.350 120.154 119.800 0.006 0.000 2.425 12 Q HA 0.127 4.467 4.340 -0.001 0.000 0.204 12 Q C 0.030 176.033 176.000 0.005 0.000 0.933 12 Q CA -0.026 55.780 55.803 0.005 0.000 0.939 12 Q CB 0.320 29.059 28.738 0.002 0.000 1.044 12 Q HN 0.226 nan 8.270 nan 0.000 0.513 13 I N 1.176 121.749 120.570 0.004 0.000 2.278 13 I HA 0.105 4.275 4.170 -0.001 0.000 0.296 13 I C -0.191 175.931 176.117 0.008 0.000 1.121 13 I CA -0.115 61.188 61.300 0.004 0.000 1.267 13 I CB 0.719 38.719 38.000 -0.001 0.000 1.447 13 I HN -0.115 nan 8.210 nan 0.000 0.509 14 S N 3.907 119.614 115.700 0.012 0.000 2.537 14 S HA 0.317 4.786 4.470 -0.001 0.000 0.271 14 S C 0.597 175.209 174.600 0.019 0.000 1.148 14 S CA -0.812 57.398 58.200 0.017 0.000 0.868 14 S CB 1.737 64.947 63.200 0.017 0.000 1.115 14 S HN 0.326 nan 8.310 nan 0.000 0.461 15 V N 3.257 123.185 119.914 0.024 0.000 3.141 15 V HA 0.054 4.173 4.120 -0.001 0.000 0.265 15 V C 2.395 178.502 176.094 0.022 0.000 1.126 15 V CA 1.418 63.734 62.300 0.027 0.000 1.141 15 V CB -1.340 30.504 31.823 0.034 0.000 0.743 15 V HN 0.830 nan 8.190 nan 0.000 0.492 16 R N 2.403 122.915 120.500 0.019 0.000 2.234 16 R HA -0.237 4.102 4.340 -0.001 0.000 0.241 16 R C 2.087 178.397 176.300 0.017 0.000 1.115 16 R CA 2.621 58.731 56.100 0.017 0.000 0.913 16 R CB -1.338 28.970 30.300 0.014 0.000 0.911 16 R HN 0.562 nan 8.270 nan 0.000 0.430 17 G N -1.521 107.288 108.800 0.016 0.000 3.042 17 G HA2 0.113 4.072 3.960 -0.001 0.000 0.212 17 G HA3 0.113 4.072 3.960 -0.001 0.000 0.212 17 G C 1.141 176.052 174.900 0.018 0.000 1.166 17 G CA 0.064 45.174 45.100 0.016 0.000 0.767 17 G HN 0.251 nan 8.290 nan 0.000 0.546 18 L N 0.014 121.246 121.223 0.016 0.000 2.145 18 L HA 0.213 4.552 4.340 -0.001 0.000 0.201 18 L C 3.080 179.949 176.870 -0.002 0.000 1.075 18 L CA 0.889 55.733 54.840 0.007 0.000 0.773 18 L CB -0.483 41.579 42.059 0.005 0.000 0.936 18 L HN 0.199 nan 8.230 nan 0.000 0.451 19 A N 0.134 122.958 122.820 0.008 0.000 1.858 19 A HA 0.231 4.550 4.320 -0.001 0.000 0.215 19 A C 2.100 179.741 177.584 0.096 0.000 1.320 19 A CA 1.566 53.617 52.037 0.023 0.000 0.601 19 A CB -1.347 17.694 19.000 0.068 0.000 0.976 19 A HN 0.431 nan 8.150 nan 0.000 0.470 20 G N -1.716 107.138 108.800 0.089 0.000 5.001 20 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.306 20 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.306 20 G C 0.513 175.462 174.900 0.080 0.000 1.491 20 G CA 1.265 46.407 45.100 0.070 0.000 1.324 20 G HN 1.444 nan 8.290 nan 0.000 0.829 21 V N 1.208 121.179 119.914 0.095 0.000 2.364 21 V HA 0.564 4.683 4.120 -0.001 0.000 0.272 21 V C 0.261 176.428 176.094 0.122 0.000 1.036 21 V CA 0.128 62.480 62.300 0.086 0.000 0.880 21 V CB 1.350 33.214 31.823 0.069 0.000 0.991 21 V HN 0.545 nan 8.190 nan 0.000 0.460 22 E N 3.184 123.419 120.200 0.059 0.000 3.167 22 E HA 0.190 4.539 4.350 -0.001 0.000 0.210 22 E C -0.385 176.202 176.600 -0.022 0.000 1.004 22 E CA -0.393 56.003 56.400 -0.008 0.000 1.256 22 E CB 0.450 30.100 29.700 -0.083 0.000 1.193 22 E HN 0.901 nan 8.360 nan 0.000 0.448 23 N N -1.237 117.471 118.700 0.013 0.000 2.478 23 N HA 0.112 4.851 4.740 -0.001 0.000 0.275 23 N C 0.984 176.503 175.510 0.015 0.000 1.221 23 N CA -0.776 52.278 53.050 0.007 0.000 0.979 23 N CB 0.553 39.048 38.487 0.013 0.000 1.202 23 N HN -0.218 nan 8.380 nan 0.000 0.564 24 V N -0.578 119.342 119.914 0.010 0.000 2.594 24 V HA -0.209 3.911 4.120 -0.001 0.000 0.253 24 V C 1.807 177.915 176.094 0.023 0.000 1.069 24 V CA 2.076 64.384 62.300 0.013 0.000 1.082 24 V CB -1.205 30.623 31.823 0.009 0.000 0.680 24 V HN 0.786 nan 8.190 nan 0.000 0.469 25 T N -0.730 113.841 114.554 0.027 0.000 2.732 25 T HA -0.126 4.223 4.350 -0.001 0.000 0.261 25 T C 1.918 176.648 174.700 0.049 0.000 1.040 25 T CA 1.177 63.296 62.100 0.032 0.000 1.145 25 T CB -0.207 68.677 68.868 0.026 0.000 0.866 25 T HN 0.398 nan 8.240 nan 0.000 0.427 26 E N 1.159 121.395 120.200 0.061 0.000 2.077 26 E HA -0.024 4.325 4.350 -0.001 0.000 0.193 26 E C 2.308 178.981 176.600 0.122 0.000 0.989 26 E CA 0.740 57.194 56.400 0.089 0.000 0.800 26 E CB -0.464 29.300 29.700 0.106 0.000 0.746 26 E HN 0.444 nan 8.360 nan 0.000 0.452 27 L N 1.041 122.333 121.223 0.115 0.000 2.046 27 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 27 L C 2.543 179.502 176.870 0.149 0.000 1.077 27 L CA 1.593 56.518 54.840 0.142 0.000 0.747 27 L CB -0.347 41.760 42.059 0.080 0.000 0.896 27 L HN 0.161 nan 8.230 nan 0.000 0.432 28 K N 0.009 120.465 120.400 0.093 0.000 2.228 28 K HA -0.170 4.150 4.320 -0.001 0.000 0.202 28 K C 2.044 178.734 176.600 0.149 0.000 1.051 28 K CA 0.814 57.162 56.287 0.102 0.000 0.960 28 K CB -0.175 32.333 32.500 0.013 0.000 0.743 28 K HN 0.136 nan 8.250 nan 0.000 0.458 29 K N 1.510 121.974 120.400 0.106 0.000 2.032 29 K HA -0.161 4.158 4.320 -0.001 0.000 0.209 29 K C 1.334 177.986 176.600 0.088 0.000 1.048 29 K CA 2.085 58.420 56.287 0.080 0.000 0.927 29 K CB -0.079 32.455 32.500 0.057 0.000 0.712 29 K HN 0.213 nan 8.250 nan 0.000 0.441 30 N N -0.538 118.241 118.700 0.131 0.000 2.376 30 N HA -0.049 4.690 4.740 -0.001 0.000 0.177 30 N C 1.289 176.920 175.510 0.201 0.000 1.024 30 N CA 0.554 53.675 53.050 0.118 0.000 0.893 30 N CB -0.079 38.504 38.487 0.161 0.000 0.980 30 N HN 0.162 nan 8.380 nan 0.000 0.439 31 F N 1.533 121.554 119.950 0.119 0.000 2.171 31 F HA -0.058 4.469 4.527 -0.001 0.000 0.300 31 F C 1.796 177.651 175.800 0.091 0.000 1.090 31 F CA 1.161 59.240 58.000 0.132 0.000 1.293 31 F CB -0.064 38.989 39.000 0.088 0.000 1.013 31 F HN 0.019 nan 8.300 nan 0.000 0.486 32 N N 0.648 119.445 118.700 0.162 0.000 2.142 32 N HA -0.123 4.617 4.740 -0.001 0.000 0.186 32 N C 2.009 177.458 175.510 -0.101 0.000 1.023 32 N CA 1.047 54.142 53.050 0.074 0.000 0.852 32 N CB -0.440 38.109 38.487 0.103 0.000 0.998 32 N HN 0.343 nan 8.380 nan 0.000 0.424 33 R N -0.053 120.319 120.500 -0.214 0.000 2.103 33 R HA -0.123 4.216 4.340 -0.001 0.000 0.242 33 R C 1.754 177.815 176.300 -0.398 0.000 1.142 33 R CA 1.481 57.340 56.100 -0.402 0.000 0.960 33 R CB -0.220 29.908 30.300 -0.287 0.000 0.858 33 R HN 0.492 nan 8.270 nan 0.000 0.439 34 H N -0.895 118.054 119.070 -0.202 0.000 2.415 34 H HA -0.042 4.514 4.556 -0.001 0.000 0.297 34 H C 1.791 176.937 175.328 -0.304 0.000 1.048 34 H CA 0.922 56.830 56.048 -0.234 0.000 1.365 34 H CB 0.140 29.784 29.762 -0.198 0.000 1.421 34 H HN 0.046 nan 8.280 nan 0.000 0.533 35 L N 0.062 121.094 121.223 -0.318 0.000 2.131 35 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 35 L C 1.427 178.027 176.870 -0.450 0.000 1.092 35 L CA 1.847 56.428 54.840 -0.431 0.000 0.759 35 L CB -0.113 41.597 42.059 -0.582 0.000 0.903 35 L HN 0.299 nan 8.230 nan 0.000 0.435 36 H N -3.037 115.855 119.070 -0.297 0.000 2.439 36 H HA 0.118 4.674 4.556 -0.001 0.000 0.299 36 H C 1.330 176.600 175.328 -0.098 0.000 1.033 36 H CA 1.446 57.322 56.048 -0.287 0.000 1.348 36 H CB 0.085 29.544 29.762 -0.505 0.000 1.449 36 H HN 0.194 nan 8.280 nan 0.000 0.544 37 F N -0.545 119.402 119.950 -0.005 0.000 2.559 37 F HA 0.115 4.641 4.527 -0.001 0.000 0.286 37 F C 2.170 177.911 175.800 -0.098 0.000 1.108 37 F CA 0.637 58.603 58.000 -0.056 0.000 1.436 37 F CB -0.596 38.353 39.000 -0.084 0.000 1.130 37 F HN -0.001 nan 8.300 nan 0.000 0.584 38 T N 0.419 114.997 114.554 0.040 0.000 2.809 38 T HA -0.012 4.337 4.350 -0.001 0.000 0.260 38 T C 1.842 176.475 174.700 -0.112 0.000 1.039 38 T CA 0.951 63.004 62.100 -0.079 0.000 1.141 38 T CB -0.213 68.559 68.868 -0.160 0.000 0.869 38 T HN -0.054 nan 8.240 nan 0.000 0.437 39 L N 0.874 122.032 121.223 -0.107 0.000 2.477 39 L HA 0.285 4.625 4.340 -0.001 0.000 0.220 39 L C 0.638 177.464 176.870 -0.073 0.000 1.106 39 L CA 0.330 55.106 54.840 -0.107 0.000 0.851 39 L CB -0.647 41.342 42.059 -0.118 0.000 0.994 39 L HN 0.053 nan 8.230 nan 0.000 0.462 40 V N 0.441 120.332 119.914 -0.038 0.000 6.016 40 V HA -0.291 3.828 4.120 -0.001 0.000 0.265 40 V C 0.373 176.445 176.094 -0.037 0.000 0.621 40 V CA 0.797 63.098 62.300 0.001 0.000 0.592 40 V CB -2.109 29.721 31.823 0.011 0.000 0.298 40 V HN 0.407 nan 8.190 nan 0.000 0.615 41 K N 1.100 121.442 120.400 -0.097 0.000 2.495 41 K HA 0.767 5.086 4.320 -0.001 0.000 0.268 41 K C -0.433 176.045 176.600 -0.203 0.000 1.008 41 K CA -0.432 55.776 56.287 -0.133 0.000 0.882 41 K CB 2.836 35.226 32.500 -0.183 0.000 1.443 41 K HN 0.480 nan 8.250 nan 0.000 0.447 42 D N -1.328 118.993 120.400 -0.131 0.000 2.727 42 D HA 0.200 4.839 4.640 -0.001 0.000 0.264 42 D C 0.670 176.951 176.300 -0.032 0.000 1.101 42 D CA -0.657 53.295 54.000 -0.080 0.000 1.122 42 D CB 0.676 41.553 40.800 0.127 0.000 1.390 42 D HN 0.512 nan 8.370 nan 0.000 0.606 43 R N -0.125 120.434 120.500 0.099 0.000 2.189 43 R HA 0.050 4.389 4.340 -0.001 0.000 0.218 43 R C 0.653 177.015 176.300 0.103 0.000 1.074 43 R CA 1.096 57.292 56.100 0.159 0.000 0.991 43 R CB -0.721 29.694 30.300 0.192 0.000 0.883 43 R HN 0.339 nan 8.270 nan 0.000 0.457 44 N N 0.122 118.858 118.700 0.061 0.000 2.331 44 N HA -0.055 4.685 4.740 -0.001 0.000 0.180 44 N C 1.202 176.717 175.510 0.009 0.000 1.019 44 N CA 0.913 53.986 53.050 0.038 0.000 0.881 44 N CB 0.350 38.857 38.487 0.034 0.000 0.972 44 N HN -0.020 nan 8.380 nan 0.000 0.435 45 V N 0.241 120.144 119.914 -0.020 0.000 3.523 45 V HA 0.303 4.422 4.120 -0.001 0.000 0.255 45 V C 0.692 176.720 176.094 -0.111 0.000 1.226 45 V CA -0.042 62.229 62.300 -0.049 0.000 1.092 45 V CB -0.008 31.792 31.823 -0.039 0.000 0.817 45 V HN 0.242 nan 8.190 nan 0.000 0.458 46 A N 1.240 123.954 122.820 -0.177 0.000 2.520 46 A HA 0.430 4.749 4.320 -0.001 0.000 0.235 46 A C 0.664 177.991 177.584 -0.428 0.000 1.065 46 A CA 0.960 52.757 52.037 -0.400 0.000 0.764 46 A CB -0.081 18.502 19.000 -0.694 0.000 1.002 46 A HN 0.542 nan 8.150 nan 0.000 0.502 47 T N -0.737 113.545 114.554 -0.452 0.000 2.942 47 T HA 0.624 4.973 4.350 -0.001 0.000 0.289 47 T C -2.238 172.284 174.700 -0.296 0.000 1.044 47 T CA -1.783 60.142 62.100 -0.291 0.000 1.023 47 T CB 1.566 70.329 68.868 -0.176 0.000 1.123 47 T HN 0.228 nan 8.240 nan 0.000 0.512 48 P HA -0.133 nan 4.420 nan 0.000 0.217 48 P C 1.581 178.883 177.300 0.002 0.000 1.151 48 P CA 1.063 64.204 63.100 0.069 0.000 0.849 48 P CB 0.067 31.791 31.700 0.040 0.000 0.787 49 R N -0.234 120.186 120.500 -0.133 0.000 2.075 49 R HA -0.135 4.204 4.340 -0.001 0.000 0.232 49 R C 1.737 177.905 176.300 -0.220 0.000 1.126 49 R CA 1.665 57.616 56.100 -0.249 0.000 0.963 49 R CB -0.602 29.481 30.300 -0.362 0.000 0.858 49 R HN 0.141 nan 8.270 nan 0.000 0.435 50 D N -0.216 120.091 120.400 -0.154 0.000 2.087 50 D HA -0.212 4.428 4.640 -0.001 0.000 0.192 50 D C 1.851 178.137 176.300 -0.023 0.000 0.993 50 D CA 1.471 55.418 54.000 -0.089 0.000 0.828 50 D CB -0.478 40.143 40.800 -0.299 0.000 0.968 50 D HN 0.250 nan 8.370 nan 0.000 0.448 51 Y N 0.297 120.629 120.300 0.053 0.000 2.151 51 Y HA -0.249 4.301 4.550 -0.001 0.000 0.284 51 Y C 2.381 178.408 175.900 0.213 0.000 1.166 51 Y CA 0.537 58.743 58.100 0.176 0.000 1.163 51 Y CB -1.308 37.295 38.460 0.239 0.000 0.974 51 Y HN 0.151 nan 8.280 nan 0.000 0.511 52 Y N -0.512 119.879 120.300 0.152 0.000 2.128 52 Y HA -0.281 4.268 4.550 -0.001 0.000 0.284 52 Y C 2.033 177.951 175.900 0.030 0.000 1.154 52 Y CA 1.277 59.397 58.100 0.032 0.000 1.149 52 Y CB -1.072 37.293 38.460 -0.158 0.000 0.976 52 Y HN -0.009 nan 8.280 nan 0.000 0.505 53 F N 0.512 120.233 119.950 -0.383 0.000 2.134 53 F HA -0.130 4.397 4.527 -0.001 0.000 0.299 53 F C 2.701 178.283 175.800 -0.363 0.000 1.097 53 F CA 1.164 58.846 58.000 -0.530 0.000 1.264 53 F CB -1.414 37.457 39.000 -0.215 0.000 1.001 53 F HN 0.219 nan 8.300 nan 0.000 0.479 54 A N -0.342 122.467 122.820 -0.019 0.000 1.933 54 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 54 A C 2.159 179.731 177.584 -0.020 0.000 1.175 54 A CA 1.576 53.528 52.037 -0.142 0.000 0.628 54 A CB -1.068 17.592 19.000 -0.567 0.000 0.814 54 A HN 0.355 nan 8.150 nan 0.000 0.444 55 L N -0.484 120.843 121.223 0.173 0.000 2.109 55 L HA 0.067 4.406 4.340 -0.001 0.000 0.207 55 L C 2.596 179.454 176.870 -0.021 0.000 1.086 55 L CA 1.957 56.951 54.840 0.256 0.000 0.760 55 L CB -0.673 41.568 42.059 0.303 0.000 0.910 55 L HN 0.311 nan 8.230 nan 0.000 0.437 56 A N -1.191 121.431 122.820 -0.330 0.000 1.883 56 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 56 A C 2.267 179.415 177.584 -0.726 0.000 1.186 56 A CA 1.843 53.469 52.037 -0.684 0.000 0.624 56 A CB -1.019 17.270 19.000 -1.186 0.000 0.822 56 A HN 0.654 nan 8.150 nan 0.000 0.444 57 H N -0.315 118.398 119.070 -0.596 0.000 2.389 57 H HA -0.076 4.480 4.556 -0.001 0.000 0.299 57 H C 2.347 177.299 175.328 -0.628 0.000 1.081 57 H CA 1.888 57.485 56.048 -0.751 0.000 1.345 57 H CB -0.440 28.663 29.762 -1.099 0.000 1.393 57 H HN 0.505 nan 8.280 nan 0.000 0.520 58 T N 0.562 114.992 114.554 -0.207 0.000 2.652 58 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 58 T C 2.435 177.263 174.700 0.215 0.000 1.039 58 T CA 1.449 63.633 62.100 0.141 0.000 1.153 58 T CB -0.583 68.457 68.868 0.286 0.000 0.863 58 T HN 0.074 nan 8.240 nan 0.000 0.428 59 V N 1.403 121.430 119.914 0.187 0.000 2.343 59 V HA -0.168 3.951 4.120 -0.001 0.000 0.247 59 V C 2.649 178.925 176.094 0.304 0.000 1.051 59 V CA 1.655 64.135 62.300 0.299 0.000 1.036 59 V CB -0.643 31.373 31.823 0.323 0.000 0.654 59 V HN 0.359 nan 8.190 nan 0.000 0.451 60 R N -0.124 120.483 120.500 0.178 0.000 2.139 60 R HA -0.229 4.110 4.340 -0.001 0.000 0.243 60 R C 1.963 178.334 176.300 0.119 0.000 1.145 60 R CA 1.998 58.199 56.100 0.169 0.000 0.976 60 R CB -0.320 29.947 30.300 -0.054 0.000 0.866 60 R HN 0.544 nan 8.270 nan 0.000 0.449 61 D N -0.731 119.714 120.400 0.075 0.000 2.097 61 D HA -0.140 4.500 4.640 -0.001 0.000 0.195 61 D C 1.700 177.959 176.300 -0.068 0.000 0.989 61 D CA 1.485 55.478 54.000 -0.012 0.000 0.827 61 D CB -0.342 40.423 40.800 -0.059 0.000 0.966 61 D HN 0.468 nan 8.370 nan 0.000 0.456 62 H N -0.112 119.025 119.070 0.111 0.000 2.423 62 H HA 0.065 4.621 4.556 -0.001 0.000 0.297 62 H C 2.115 177.502 175.328 0.098 0.000 1.075 62 H CA 0.385 56.489 56.048 0.093 0.000 1.342 62 H CB 0.029 29.840 29.762 0.081 0.000 1.395 62 H HN 0.053 nan 8.280 nan 0.000 0.530 63 L N 0.816 122.171 121.223 0.221 0.000 2.027 63 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 63 L C 2.306 179.281 176.870 0.175 0.000 1.074 63 L CA 1.638 56.585 54.840 0.177 0.000 0.745 63 L CB -0.230 41.941 42.059 0.187 0.000 0.898 63 L HN 0.404 nan 8.230 nan 0.000 0.433 64 V N -3.098 116.910 119.914 0.155 0.000 2.951 64 V HA 0.061 4.181 4.120 -0.001 0.000 0.255 64 V C 2.267 178.510 176.094 0.248 0.000 1.088 64 V CA 1.241 63.666 62.300 0.208 0.000 1.109 64 V CB -0.989 30.894 31.823 0.100 0.000 0.724 64 V HN 0.392 nan 8.190 nan 0.000 0.471 65 G N 0.677 109.568 108.800 0.152 0.000 2.450 65 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.220 65 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.220 65 G C 1.790 176.757 174.900 0.111 0.000 1.130 65 G CA 0.941 46.110 45.100 0.114 0.000 0.760 65 G HN 0.557 nan 8.290 nan 0.000 0.557 66 R N -1.558 119.019 120.500 0.129 0.000 2.140 66 R HA 0.042 4.382 4.340 -0.001 0.000 0.213 66 R C 2.206 178.560 176.300 0.090 0.000 1.059 66 R CA 0.556 56.705 56.100 0.082 0.000 1.000 66 R CB -0.323 30.021 30.300 0.073 0.000 0.910 66 R HN 0.492 nan 8.270 nan 0.000 0.455 67 W N 2.142 123.432 121.300 -0.017 0.000 2.358 67 W HA -0.145 4.514 4.660 -0.001 0.000 0.303 67 W C 1.630 178.132 176.519 -0.028 0.000 1.208 67 W CA 1.221 58.549 57.345 -0.028 0.000 1.274 67 W CB -0.055 29.401 29.460 -0.005 0.000 1.138 67 W HN -0.125 nan 8.180 nan 0.000 0.515 68 I N 0.906 121.518 120.570 0.071 0.000 2.208 68 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 68 I C 2.389 178.392 176.117 -0.191 0.000 1.097 68 I CA 1.551 62.785 61.300 -0.110 0.000 1.363 68 I CB -1.340 36.700 38.000 0.065 0.000 1.051 68 I HN 0.051 nan 8.210 nan 0.000 0.413 69 R N 0.674 121.106 120.500 -0.113 0.000 2.066 69 R HA -0.064 4.275 4.340 -0.001 0.000 0.232 69 R C 2.317 178.499 176.300 -0.198 0.000 1.131 69 R CA 1.575 57.609 56.100 -0.109 0.000 0.955 69 R CB -1.447 28.808 30.300 -0.075 0.000 0.851 69 R HN 0.347 nan 8.270 nan 0.000 0.432 70 T N 2.084 116.462 114.554 -0.294 0.000 2.699 70 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 70 T C 1.785 176.054 174.700 -0.717 0.000 1.036 70 T CA 1.280 63.090 62.100 -0.484 0.000 1.147 70 T CB -0.050 68.556 68.868 -0.437 0.000 0.862 70 T HN 0.192 nan 8.240 nan 0.000 0.446 71 Q N 0.970 120.398 119.800 -0.619 0.000 2.123 71 Q HA 0.015 4.355 4.340 -0.001 0.000 0.199 71 Q C 2.439 178.390 176.000 -0.082 0.000 0.966 71 Q CA 1.170 56.692 55.803 -0.469 0.000 0.845 71 Q CB -0.397 27.899 28.738 -0.738 0.000 0.907 71 Q HN 0.642 nan 8.270 nan 0.000 0.439 72 Q N -0.385 119.375 119.800 -0.067 0.000 2.084 72 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 72 Q C 1.995 178.193 176.000 0.330 0.000 0.978 72 Q CA 1.490 57.409 55.803 0.194 0.000 0.844 72 Q CB -0.242 28.602 28.738 0.176 0.000 0.898 72 Q HN 0.466 nan 8.270 nan 0.000 0.426 73 H N -0.444 118.619 119.070 -0.012 0.000 2.352 73 H HA -0.198 4.358 4.556 -0.001 0.000 0.299 73 H C 1.330 176.710 175.328 0.087 0.000 1.097 73 H CA 1.869 57.896 56.048 -0.036 0.000 1.311 73 H CB -0.089 29.567 29.762 -0.176 0.000 1.377 73 H HN 0.277 nan 8.280 nan 0.000 0.504 74 Y N -1.048 119.253 120.300 0.001 0.000 2.274 74 Y HA -0.173 4.377 4.550 -0.001 0.000 0.290 74 Y C 2.192 178.025 175.900 -0.112 0.000 1.145 74 Y CA 0.886 58.911 58.100 -0.124 0.000 1.203 74 Y CB -1.154 37.225 38.460 -0.134 0.000 0.984 74 Y HN 0.341 nan 8.280 nan 0.000 0.533 75 Y N 0.651 121.081 120.300 0.216 0.000 2.373 75 Y HA -0.169 4.381 4.550 -0.001 0.000 0.293 75 Y C 2.353 178.428 175.900 0.293 0.000 1.129 75 Y CA 1.426 59.671 58.100 0.241 0.000 1.226 75 Y CB -0.206 38.376 38.460 0.203 0.000 1.000 75 Y HN 0.355 nan 8.280 nan 0.000 0.549 76 E N -0.470 119.918 120.200 0.313 0.000 2.170 76 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 76 E C 1.618 178.172 176.600 -0.077 0.000 0.981 76 E CA 0.759 57.146 56.400 -0.020 0.000 0.830 76 E CB -0.083 29.376 29.700 -0.403 0.000 0.775 76 E HN 0.101 nan 8.360 nan 0.000 0.470 77 K N 0.765 121.088 120.400 -0.129 0.000 2.305 77 K HA -0.040 4.279 4.320 -0.001 0.000 0.199 77 K C 0.076 176.633 176.600 -0.070 0.000 1.047 77 K CA 0.827 57.035 56.287 -0.132 0.000 0.976 77 K CB -0.242 32.126 32.500 -0.219 0.000 0.765 77 K HN 0.135 nan 8.250 nan 0.000 0.474 78 D N 1.088 121.458 120.400 -0.050 0.000 2.735 78 D HA -0.108 4.532 4.640 -0.001 0.000 0.235 78 D C -2.409 173.848 176.300 -0.072 0.000 1.175 78 D CA 0.160 54.126 54.000 -0.058 0.000 0.683 78 D CB -0.208 40.573 40.800 -0.030 0.000 1.008 78 D HN 0.167 nan 8.370 nan 0.000 0.416 79 P HA 0.154 nan 4.420 nan 0.000 0.279 79 P C -0.231 176.994 177.300 -0.124 0.000 1.276 79 P CA -0.682 62.353 63.100 -0.109 0.000 0.801 79 P CB 0.619 32.231 31.700 -0.147 0.000 1.127 80 K N 1.278 121.614 120.400 -0.106 0.000 2.436 80 K HA 0.045 4.364 4.320 -0.001 0.000 0.282 80 K C 0.017 176.504 176.600 -0.190 0.000 1.044 80 K CA 0.065 56.283 56.287 -0.115 0.000 1.028 80 K CB 0.102 32.558 32.500 -0.075 0.000 0.919 80 K HN 0.303 nan 8.250 nan 0.000 0.474 81 R N 3.880 124.267 120.500 -0.188 0.000 2.308 81 R HA 0.270 4.609 4.340 -0.001 0.000 0.305 81 R C -0.024 176.045 176.300 -0.384 0.000 1.053 81 R CA -0.488 55.450 56.100 -0.271 0.000 0.957 81 R CB 0.914 31.107 30.300 -0.178 0.000 1.022 81 R HN 0.552 nan 8.270 nan 0.000 0.461 82 I N 3.678 123.951 120.570 -0.494 0.000 2.362 82 I HA 0.273 4.442 4.170 -0.001 0.000 0.289 82 I C -1.463 174.366 176.117 -0.480 0.000 0.994 82 I CA -0.717 60.257 61.300 -0.544 0.000 1.158 82 I CB 0.940 38.427 38.000 -0.854 0.000 1.315 82 I HN 0.616 nan 8.210 nan 0.000 0.451 83 Y N 7.573 127.837 120.300 -0.060 0.000 2.402 83 Y HA 0.271 4.821 4.550 -0.001 0.000 0.332 83 Y C -0.645 175.363 175.900 0.179 0.000 0.960 83 Y CA -0.504 57.666 58.100 0.118 0.000 1.228 83 Y CB 1.042 39.496 38.460 -0.010 0.000 1.120 83 Y HN 0.484 nan 8.280 nan 0.000 0.491 84 Y N 5.105 125.596 120.300 0.319 0.000 2.535 84 Y HA 0.402 4.951 4.550 -0.001 0.000 0.349 84 Y C -0.590 175.599 175.900 0.481 0.000 0.992 84 Y CA -0.751 57.564 58.100 0.358 0.000 1.248 84 Y CB 0.238 38.918 38.460 0.365 0.000 1.124 84 Y HN 0.426 nan 8.280 nan 0.000 0.520 85 L N 4.892 126.220 121.223 0.176 0.000 2.292 85 L HA 0.544 4.883 4.340 -0.001 0.000 0.284 85 L C 0.045 176.983 176.870 0.112 0.000 1.065 85 L CA -0.534 54.461 54.840 0.259 0.000 0.806 85 L CB 1.245 43.416 42.059 0.186 0.000 1.175 85 L HN 0.507 nan 8.230 nan 0.000 0.431 86 S N 2.125 117.960 115.700 0.225 0.000 2.543 86 S HA 0.391 4.861 4.470 -0.001 0.000 0.273 86 S C -0.105 174.569 174.600 0.124 0.000 1.152 86 S CA -0.544 57.676 58.200 0.034 0.000 0.910 86 S CB 1.480 64.496 63.200 -0.307 0.000 1.105 86 S HN 0.541 nan 8.310 nan 0.000 0.465 87 L N 3.173 124.495 121.223 0.166 0.000 2.645 87 L HA 0.445 4.784 4.340 -0.001 0.000 0.235 87 L C 0.505 177.518 176.870 0.239 0.000 1.150 87 L CA 0.989 55.979 54.840 0.250 0.000 0.911 87 L CB -0.281 41.907 42.059 0.214 0.000 1.077 87 L HN 0.616 nan 8.230 nan 0.000 0.438 88 E N -1.062 119.153 120.200 0.025 0.000 2.311 88 E HA 0.314 4.664 4.350 -0.001 0.000 0.281 88 E C -1.484 174.943 176.600 -0.288 0.000 0.905 88 E CA -0.398 55.983 56.400 -0.031 0.000 0.778 88 E CB 1.557 31.190 29.700 -0.112 0.000 1.240 88 E HN -0.153 nan 8.360 nan 0.000 0.410 89 F N 2.736 122.773 119.950 0.145 0.000 2.646 89 F HA 0.212 4.738 4.527 -0.001 0.000 0.364 89 F C -0.562 175.315 175.800 0.128 0.000 1.137 89 F CA -0.643 57.437 58.000 0.133 0.000 1.085 89 F CB 0.811 39.889 39.000 0.129 0.000 1.331 89 F HN 0.482 nan 8.300 nan 0.000 0.472 90 Y N 5.012 125.365 120.300 0.089 0.000 2.570 90 Y HA 0.141 4.690 4.550 -0.001 0.000 0.336 90 Y C 1.161 177.070 175.900 0.015 0.000 1.284 90 Y CA -0.733 57.373 58.100 0.011 0.000 1.761 90 Y CB 0.170 38.619 38.460 -0.017 0.000 1.724 90 Y HN 0.535 nan 8.280 nan 0.000 0.455 91 M N 0.796 120.492 119.600 0.161 0.000 2.254 91 M HA 0.063 4.542 4.480 -0.001 0.000 0.265 91 M C 1.652 177.896 176.300 -0.092 0.000 1.066 91 M CA 1.149 56.462 55.300 0.022 0.000 1.123 91 M CB -1.238 31.359 32.600 -0.005 0.000 1.388 91 M HN 0.667 nan 8.290 nan 0.000 0.425 92 G N 0.853 109.578 108.800 -0.124 0.000 2.512 92 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.254 92 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.254 92 G C -0.163 174.660 174.900 -0.128 0.000 1.199 92 G CA -0.183 44.808 45.100 -0.181 0.000 0.941 92 G HN 0.423 nan 8.290 nan 0.000 0.569 93 R N -1.018 119.402 120.500 -0.133 0.000 2.607 93 R HA 0.696 5.036 4.340 -0.001 0.000 0.261 93 R C 0.817 177.021 176.300 -0.161 0.000 1.051 93 R CA 0.081 56.134 56.100 -0.078 0.000 1.110 93 R CB 1.079 31.350 30.300 -0.048 0.000 1.158 93 R HN 0.494 nan 8.270 nan 0.000 0.543 94 T N 0.161 114.598 114.554 -0.195 0.000 2.958 94 T HA 0.126 4.475 4.350 -0.001 0.000 0.256 94 T C 1.423 175.848 174.700 -0.458 0.000 0.983 94 T CA -0.290 61.495 62.100 -0.526 0.000 0.924 94 T CB 0.289 68.467 68.868 -1.150 0.000 1.136 94 T HN 0.316 nan 8.240 nan 0.000 0.506 95 L N 1.415 122.627 121.223 -0.017 0.000 1.961 95 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 95 L C 2.678 179.590 176.870 0.069 0.000 1.072 95 L CA 2.007 56.991 54.840 0.241 0.000 0.749 95 L CB -0.396 41.956 42.059 0.489 0.000 0.889 95 L HN 0.316 nan 8.230 nan 0.000 0.432 96 Q N -0.105 119.713 119.800 0.029 0.000 2.061 96 Q HA -0.277 4.062 4.340 -0.001 0.000 0.204 96 Q C 2.007 177.975 176.000 -0.053 0.000 0.984 96 Q CA 2.199 57.999 55.803 -0.006 0.000 0.846 96 Q CB -0.230 28.493 28.738 -0.025 0.000 0.902 96 Q HN 0.492 nan 8.270 nan 0.000 0.421 97 N N -1.161 117.470 118.700 -0.115 0.000 2.036 97 N HA -0.175 4.564 4.740 -0.001 0.000 0.195 97 N C 1.482 176.926 175.510 -0.110 0.000 1.037 97 N CA 2.019 54.987 53.050 -0.136 0.000 0.855 97 N CB -0.090 38.278 38.487 -0.198 0.000 1.033 97 N HN 0.285 nan 8.380 nan 0.000 0.423 98 T N 1.322 115.780 114.554 -0.161 0.000 2.788 98 T HA -0.082 4.268 4.350 -0.001 0.000 0.268 98 T C 2.038 176.719 174.700 -0.031 0.000 1.044 98 T CA 1.094 63.119 62.100 -0.125 0.000 1.139 98 T CB -0.060 68.675 68.868 -0.222 0.000 0.867 98 T HN 0.276 nan 8.240 nan 0.000 0.454 99 M N 0.782 120.380 119.600 -0.003 0.000 2.067 99 M HA -0.091 4.389 4.480 -0.001 0.000 0.260 99 M C 2.684 178.980 176.300 -0.007 0.000 1.069 99 M CA 1.471 56.779 55.300 0.013 0.000 1.117 99 M CB -0.649 31.973 32.600 0.035 0.000 1.334 99 M HN 0.285 nan 8.290 nan 0.000 0.407 100 V N -0.629 119.286 119.914 0.003 0.000 2.515 100 V HA -0.180 3.939 4.120 -0.001 0.000 0.250 100 V C 1.559 177.675 176.094 0.036 0.000 1.058 100 V CA 2.145 64.466 62.300 0.034 0.000 1.064 100 V CB -0.830 31.032 31.823 0.065 0.000 0.675 100 V HN 0.396 nan 8.190 nan 0.000 0.461 101 N N 0.452 119.169 118.700 0.029 0.000 2.331 101 N HA 0.016 4.755 4.740 -0.001 0.000 0.180 101 N C 1.241 176.667 175.510 -0.141 0.000 1.019 101 N CA 1.332 54.369 53.050 -0.022 0.000 0.881 101 N CB -0.382 38.124 38.487 0.032 0.000 0.972 101 N HN 0.447 nan 8.380 nan 0.000 0.435 102 L N 0.044 121.216 121.223 -0.085 0.000 2.592 102 L HA 0.369 4.709 4.340 -0.001 0.000 0.227 102 L C 0.463 177.270 176.870 -0.106 0.000 1.127 102 L CA -0.116 54.675 54.840 -0.082 0.000 0.884 102 L CB -0.830 41.215 42.059 -0.024 0.000 1.065 102 L HN 0.135 nan 8.230 nan 0.000 0.457 103 A N -0.504 122.247 122.820 -0.116 0.000 2.739 103 A HA -0.201 4.118 4.320 -0.001 0.000 0.296 103 A C 0.852 178.389 177.584 -0.079 0.000 1.488 103 A CA 0.835 52.811 52.037 -0.101 0.000 0.746 103 A CB -1.848 17.075 19.000 -0.129 0.000 1.047 103 A HN 0.194 nan 8.150 nan 0.000 0.477 104 L N -0.796 120.389 121.223 -0.065 0.000 2.966 104 L HA 0.258 4.597 4.340 -0.001 0.000 0.262 104 L C 1.771 178.618 176.870 -0.038 0.000 1.165 104 L CA 1.273 56.070 54.840 -0.072 0.000 0.978 104 L CB -0.182 41.819 42.059 -0.097 0.000 1.337 104 L HN 0.676 nan 8.230 nan 0.000 0.563 105 E N 0.313 120.500 120.200 -0.022 0.000 2.031 105 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 105 E C 1.434 178.027 176.600 -0.011 0.000 0.994 105 E CA 1.770 58.167 56.400 -0.006 0.000 0.800 105 E CB 0.298 29.998 29.700 0.000 0.000 0.752 105 E HN 0.462 nan 8.360 nan 0.000 0.447 106 N N 0.476 119.165 118.700 -0.019 0.000 2.061 106 N HA -0.206 4.533 4.740 -0.001 0.000 0.193 106 N C 1.642 177.138 175.510 -0.023 0.000 1.030 106 N CA 1.768 54.805 53.050 -0.023 0.000 0.856 106 N CB -0.369 38.103 38.487 -0.024 0.000 1.023 106 N HN 0.266 nan 8.380 nan 0.000 0.424 107 A N -0.052 122.752 122.820 -0.027 0.000 1.902 107 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 107 A C 2.394 179.968 177.584 -0.017 0.000 1.181 107 A CA 1.276 53.297 52.037 -0.026 0.000 0.623 107 A CB -1.012 17.963 19.000 -0.041 0.000 0.818 107 A HN 0.488 nan 8.150 nan 0.000 0.443 108 C N -0.856 118.436 119.300 -0.013 0.000 2.440 108 C HA -0.055 4.404 4.460 -0.001 0.000 0.278 108 C C 2.465 177.450 174.990 -0.008 0.000 1.295 108 C CA 1.035 60.051 59.018 -0.002 0.000 1.738 108 C CB -1.074 26.680 27.740 0.024 0.000 1.987 108 C HN 0.721 nan 8.230 nan 0.000 0.492 109 D N 0.832 121.230 120.400 -0.004 0.000 2.133 109 D HA -0.170 4.469 4.640 -0.001 0.000 0.195 109 D C 2.082 178.389 176.300 0.010 0.000 0.997 109 D CA 1.654 55.652 54.000 -0.003 0.000 0.840 109 D CB -0.210 40.580 40.800 -0.018 0.000 0.947 109 D HN 0.486 nan 8.370 nan 0.000 0.452 110 E N -0.156 120.046 120.200 0.003 0.000 2.046 110 E HA 0.015 4.364 4.350 -0.001 0.000 0.190 110 E C 1.910 178.542 176.600 0.052 0.000 0.982 110 E CA 1.392 57.811 56.400 0.032 0.000 0.800 110 E CB -0.535 29.169 29.700 0.007 0.000 0.756 110 E HN 0.236 nan 8.360 nan 0.000 0.449 111 A N -0.006 122.812 122.820 -0.003 0.000 1.865 111 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 111 A C 2.498 180.005 177.584 -0.130 0.000 1.191 111 A CA 3.001 55.008 52.037 -0.051 0.000 0.623 111 A CB -1.562 17.406 19.000 -0.053 0.000 0.826 111 A HN 0.505 nan 8.150 nan 0.000 0.444 112 T N -3.322 111.140 114.554 -0.153 0.000 2.788 112 T HA -0.248 4.101 4.350 -0.001 0.000 0.268 112 T C 1.844 176.460 174.700 -0.141 0.000 1.044 112 T CA 1.606 63.558 62.100 -0.246 0.000 1.139 112 T CB -0.654 68.105 68.868 -0.183 0.000 0.867 112 T HN 0.469 nan 8.240 nan 0.000 0.454 113 Y N 2.413 122.630 120.300 -0.139 0.000 2.128 113 Y HA -0.168 4.381 4.550 -0.001 0.000 0.284 113 Y C 2.658 178.497 175.900 -0.102 0.000 1.154 113 Y CA 1.737 59.776 58.100 -0.102 0.000 1.149 113 Y CB -0.589 37.831 38.460 -0.067 0.000 0.976 113 Y HN 0.259 nan 8.280 nan 0.000 0.505 114 Q N -0.314 119.409 119.800 -0.129 0.000 2.291 114 Q HA -0.106 4.233 4.340 -0.001 0.000 0.205 114 Q C 1.846 177.717 176.000 -0.215 0.000 0.970 114 Q CA 1.272 56.962 55.803 -0.188 0.000 0.876 114 Q CB -0.086 28.622 28.738 -0.050 0.000 0.935 114 Q HN 0.523 nan 8.270 nan 0.000 0.455 115 L N -1.109 119.974 121.223 -0.232 0.000 2.592 115 L HA 0.179 4.518 4.340 -0.001 0.000 0.227 115 L C 0.997 177.711 176.870 -0.259 0.000 1.127 115 L CA 0.322 55.020 54.840 -0.236 0.000 0.884 115 L CB 0.278 42.145 42.059 -0.319 0.000 1.065 115 L HN 0.367 nan 8.230 nan 0.000 0.457 116 G N -0.138 108.490 108.800 -0.288 0.000 2.141 116 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.231 116 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.231 116 G C -0.108 174.664 174.900 -0.213 0.000 0.984 116 G CA -0.431 44.516 45.100 -0.256 0.000 0.660 116 G HN 0.052 nan 8.290 nan 0.000 0.525 117 L N 0.778 121.866 121.223 -0.224 0.000 2.331 117 L HA 0.664 5.004 4.340 -0.001 0.000 0.275 117 L C -0.303 176.534 176.870 -0.056 0.000 1.022 117 L CA -0.899 53.842 54.840 -0.165 0.000 0.812 117 L CB 1.561 43.470 42.059 -0.251 0.000 1.257 117 L HN 0.190 nan 8.230 nan 0.000 0.435 118 D N 2.279 122.675 120.400 -0.006 0.000 2.373 118 D HA 0.187 4.826 4.640 -0.001 0.000 0.227 118 D C 0.819 177.142 176.300 0.038 0.000 1.091 118 D CA -0.314 53.710 54.000 0.040 0.000 0.840 118 D CB 1.201 42.028 40.800 0.045 0.000 1.060 118 D HN 0.536 nan 8.370 nan 0.000 0.502 119 M N 3.157 122.781 119.600 0.040 0.000 2.175 119 M HA -0.109 4.371 4.480 -0.001 0.000 0.264 119 M C 1.309 177.642 176.300 0.056 0.000 1.063 119 M CA 1.429 56.758 55.300 0.049 0.000 1.119 119 M CB 0.210 32.834 32.600 0.041 0.000 1.377 119 M HN 0.418 nan 8.290 nan 0.000 0.415 120 E N -0.151 120.075 120.200 0.042 0.000 2.160 120 E HA -0.267 4.083 4.350 -0.001 0.000 0.195 120 E C 1.815 178.436 176.600 0.035 0.000 0.991 120 E CA 1.380 57.802 56.400 0.036 0.000 0.810 120 E CB -0.214 29.505 29.700 0.031 0.000 0.742 120 E HN 0.651 nan 8.360 nan 0.000 0.466 121 E N 0.787 121.011 120.200 0.040 0.000 2.107 121 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 121 E C 2.098 178.718 176.600 0.034 0.000 0.982 121 E CA 0.509 56.931 56.400 0.036 0.000 0.809 121 E CB 0.118 29.843 29.700 0.042 0.000 0.756 121 E HN 0.226 nan 8.360 nan 0.000 0.459 122 L N 0.432 121.694 121.223 0.064 0.000 2.179 122 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 122 L C 2.323 179.219 176.870 0.042 0.000 1.096 122 L CA 0.847 55.747 54.840 0.101 0.000 0.779 122 L CB -0.282 41.894 42.059 0.196 0.000 0.922 122 L HN 0.107 nan 8.230 nan 0.000 0.443 123 E N 0.015 120.246 120.200 0.051 0.000 2.110 123 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 123 E C 2.038 178.591 176.600 -0.077 0.000 0.988 123 E CA 0.772 57.183 56.400 0.018 0.000 0.804 123 E CB 0.101 29.828 29.700 0.044 0.000 0.745 123 E HN 0.359 nan 8.360 nan 0.000 0.458 124 E N 0.528 120.694 120.200 -0.058 0.000 2.204 124 E HA -0.154 4.196 4.350 -0.001 0.000 0.194 124 E C 2.022 178.547 176.600 -0.125 0.000 0.989 124 E CA 0.527 56.891 56.400 -0.061 0.000 0.824 124 E CB 0.002 29.693 29.700 -0.014 0.000 0.756 124 E HN 0.333 nan 8.360 nan 0.000 0.477 125 I N 1.473 121.916 120.570 -0.212 0.000 2.361 125 I HA -0.197 3.972 4.170 -0.001 0.000 0.251 125 I C 1.270 177.125 176.117 -0.436 0.000 1.133 125 I CA 0.674 61.789 61.300 -0.308 0.000 1.413 125 I CB -1.135 36.653 38.000 -0.353 0.000 1.073 125 I HN 0.141 nan 8.210 nan 0.000 0.424 126 E N 2.671 122.501 120.200 -0.616 0.000 2.338 126 E HA 0.086 4.435 4.350 -0.001 0.000 0.272 126 E C -0.223 176.318 176.600 -0.099 0.000 1.029 126 E CA -0.452 55.661 56.400 -0.479 0.000 0.872 126 E CB 0.665 30.065 29.700 -0.500 0.000 1.015 126 E HN 0.102 nan 8.360 nan 0.000 0.417 127 E N 3.159 123.395 120.200 0.061 0.000 2.404 127 E HA 0.033 4.382 4.350 -0.001 0.000 0.261 127 E C -0.681 175.992 176.600 0.122 0.000 1.074 127 E CA -0.127 56.363 56.400 0.149 0.000 0.917 127 E CB 0.429 30.322 29.700 0.322 0.000 0.965 127 E HN 0.551 nan 8.360 nan 0.000 0.433 128 D N 0.681 121.110 120.400 0.049 0.000 2.417 128 D HA 0.182 4.822 4.640 -0.001 0.000 0.250 128 D C -0.290 175.927 176.300 -0.139 0.000 1.166 128 D CA 0.134 54.112 54.000 -0.036 0.000 0.881 128 D CB 0.536 41.298 40.800 -0.064 0.000 1.164 128 D HN 0.424 nan 8.370 nan 0.000 0.467 129 A N 2.793 125.485 122.820 -0.214 0.000 2.580 129 A HA 0.316 4.636 4.320 -0.001 0.000 0.244 129 A C 1.234 178.311 177.584 -0.845 0.000 1.045 129 A CA 0.377 52.023 52.037 -0.651 0.000 0.761 129 A CB 0.056 18.858 19.000 -0.330 0.000 0.962 129 A HN 0.625 nan 8.150 nan 0.000 0.512 130 G N 1.740 109.480 108.800 -1.765 0.000 3.541 130 G HA2 0.431 4.390 3.960 -0.001 0.000 0.253 130 G HA3 0.431 4.390 3.960 -0.001 0.000 0.253 130 G C 0.204 174.840 174.900 -0.441 0.000 1.017 130 G CA -0.153 44.341 45.100 -1.010 0.000 1.832 130 G HN 0.513 nan 8.290 nan 0.000 0.649 131 L N -0.088 120.989 121.223 -0.243 0.000 2.948 131 L HA 0.371 4.710 4.340 -0.001 0.000 0.259 131 L C 1.340 178.239 176.870 0.048 0.000 1.136 131 L CA 0.144 55.038 54.840 0.090 0.000 0.959 131 L CB 0.127 42.269 42.059 0.139 0.000 1.370 131 L HN 0.304 nan 8.230 nan 0.000 0.552 132 G N -1.181 107.509 108.800 -0.183 0.000 2.788 132 G HA2 0.426 4.385 3.960 -0.001 0.000 0.293 132 G HA3 0.426 4.385 3.960 -0.001 0.000 0.293 132 G C 0.101 174.424 174.900 -0.962 0.000 1.305 132 G CA 0.016 44.840 45.100 -0.460 0.000 1.005 132 G HN -0.004 nan 8.290 nan 0.000 0.496 133 N N -2.492 115.607 118.700 -1.001 0.000 2.441 133 N HA 0.253 4.993 4.740 -0.001 0.000 0.257 133 N C 0.845 176.018 175.510 -0.562 0.000 1.058 133 N CA 1.151 53.733 53.050 -0.779 0.000 0.853 133 N CB 0.679 38.944 38.487 -0.371 0.000 1.694 133 N HN 0.818 nan 8.380 nan 0.000 0.542 134 G N -1.352 107.278 108.800 -0.284 0.000 3.137 134 G HA2 0.406 4.366 3.960 -0.001 0.000 0.196 134 G HA3 0.406 4.366 3.960 -0.001 0.000 0.196 134 G C 0.571 175.542 174.900 0.117 0.000 1.135 134 G CA 0.089 45.206 45.100 0.028 0.000 0.803 134 G HN 0.209 nan 8.290 nan 0.000 0.619 135 G N -0.259 108.586 108.800 0.074 0.000 2.408 135 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.217 135 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.217 135 G C 1.659 176.548 174.900 -0.018 0.000 1.150 135 G CA 1.015 46.144 45.100 0.047 0.000 0.776 135 G HN 0.370 nan 8.290 nan 0.000 0.542 136 L N 1.511 122.687 121.223 -0.079 0.000 2.043 136 L HA -0.047 4.293 4.340 -0.001 0.000 0.212 136 L C 2.613 179.393 176.870 -0.150 0.000 1.075 136 L CA 2.517 57.236 54.840 -0.201 0.000 0.752 136 L CB -1.267 40.675 42.059 -0.196 0.000 0.891 136 L HN 0.282 nan 8.230 nan 0.000 0.432 137 G N -0.803 107.944 108.800 -0.090 0.000 2.464 137 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.217 137 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.217 137 G C 1.708 176.646 174.900 0.064 0.000 1.138 137 G CA 0.637 45.697 45.100 -0.067 0.000 0.793 137 G HN 0.413 nan 8.290 nan 0.000 0.539 138 R N -0.193 120.389 120.500 0.136 0.000 2.093 138 R HA 0.179 4.519 4.340 -0.001 0.000 0.224 138 R C 2.227 178.546 176.300 0.031 0.000 1.101 138 R CA 0.722 56.915 56.100 0.154 0.000 0.979 138 R CB -0.762 29.641 30.300 0.172 0.000 0.877 138 R HN 0.226 nan 8.270 nan 0.000 0.441 139 L N 0.674 121.843 121.223 -0.089 0.000 2.043 139 L HA -0.088 4.252 4.340 -0.001 0.000 0.212 139 L C 2.192 178.739 176.870 -0.539 0.000 1.075 139 L CA 2.263 56.904 54.840 -0.332 0.000 0.752 139 L CB -0.933 40.911 42.059 -0.357 0.000 0.891 139 L HN 0.349 nan 8.230 nan 0.000 0.432 140 A N -0.710 121.940 122.820 -0.284 0.000 1.858 140 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 140 A C 2.460 180.089 177.584 0.075 0.000 1.190 140 A CA 2.041 53.983 52.037 -0.158 0.000 0.617 140 A CB -1.278 17.614 19.000 -0.178 0.000 0.827 140 A HN 0.566 nan 8.150 nan 0.000 0.443 141 A N -1.130 121.785 122.820 0.158 0.000 1.908 141 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 141 A C 2.311 179.982 177.584 0.145 0.000 1.181 141 A CA 1.759 53.912 52.037 0.194 0.000 0.627 141 A CB -1.318 17.788 19.000 0.177 0.000 0.818 141 A HN 0.608 nan 8.150 nan 0.000 0.445 142 C N -1.644 117.746 119.300 0.150 0.000 2.425 142 C HA -0.050 4.409 4.460 -0.001 0.000 0.277 142 C C 2.413 177.591 174.990 0.313 0.000 1.280 142 C CA 0.627 59.781 59.018 0.226 0.000 1.744 142 C CB -1.579 26.323 27.740 0.269 0.000 1.989 142 C HN 0.615 nan 8.230 nan 0.000 0.491 143 F N 1.063 121.006 119.950 -0.011 0.000 2.146 143 F HA -0.024 4.503 4.527 -0.001 0.000 0.298 143 F C 2.214 177.968 175.800 -0.077 0.000 1.096 143 F CA 1.000 58.942 58.000 -0.097 0.000 1.275 143 F CB -1.315 37.488 39.000 -0.328 0.000 1.008 143 F HN 0.177 nan 8.300 nan 0.000 0.480 144 L N -0.514 120.797 121.223 0.147 0.000 2.046 144 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 144 L C 2.404 179.308 176.870 0.057 0.000 1.077 144 L CA 1.759 56.645 54.840 0.076 0.000 0.747 144 L CB -0.742 41.361 42.059 0.072 0.000 0.896 144 L HN 0.155 nan 8.230 nan 0.000 0.432 145 D N -0.075 120.367 120.400 0.071 0.000 2.092 145 D HA -0.180 4.460 4.640 -0.001 0.000 0.193 145 D C 2.125 178.462 176.300 0.062 0.000 0.994 145 D CA 1.792 55.824 54.000 0.054 0.000 0.828 145 D CB 0.305 41.133 40.800 0.048 0.000 0.963 145 D HN 0.209 nan 8.370 nan 0.000 0.450 146 S N -0.107 115.640 115.700 0.079 0.000 2.368 146 S HA -0.108 4.362 4.470 -0.001 0.000 0.225 146 S C 2.155 176.778 174.600 0.038 0.000 1.030 146 S CA 0.897 59.130 58.200 0.056 0.000 0.999 146 S CB -0.139 63.089 63.200 0.046 0.000 0.844 146 S HN 0.339 nan 8.310 nan 0.000 0.459 147 M N 1.028 120.646 119.600 0.029 0.000 2.108 147 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 147 M C 2.486 178.804 176.300 0.031 0.000 1.066 147 M CA 1.545 56.861 55.300 0.027 0.000 1.107 147 M CB -0.607 31.995 32.600 0.003 0.000 1.356 147 M HN 0.403 nan 8.290 nan 0.000 0.406 148 A N -0.060 122.779 122.820 0.033 0.000 1.858 148 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 148 A C 2.190 179.806 177.584 0.054 0.000 1.190 148 A CA 2.233 54.296 52.037 0.043 0.000 0.617 148 A CB -1.225 17.798 19.000 0.038 0.000 0.827 148 A HN 0.437 nan 8.150 nan 0.000 0.443 149 T N 0.416 115.006 114.554 0.060 0.000 2.759 149 T HA -0.079 4.270 4.350 -0.001 0.000 0.269 149 T C 1.361 176.099 174.700 0.063 0.000 1.042 149 T CA 1.321 63.466 62.100 0.074 0.000 1.140 149 T CB -0.312 68.609 68.868 0.089 0.000 0.864 149 T HN 0.330 nan 8.240 nan 0.000 0.455 150 L N 0.510 121.767 121.223 0.056 0.000 2.629 150 L HA 0.260 4.600 4.340 -0.001 0.000 0.230 150 L C 1.774 178.680 176.870 0.061 0.000 1.151 150 L CA 0.118 54.991 54.840 0.055 0.000 0.924 150 L CB -0.643 41.448 42.059 0.054 0.000 1.137 150 L HN 0.454 nan 8.230 nan 0.000 0.457 151 G N 0.947 109.787 108.800 0.067 0.000 2.203 151 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.263 151 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.263 151 G C 0.308 175.263 174.900 0.093 0.000 1.012 151 G CA 0.154 45.309 45.100 0.092 0.000 0.749 151 G HN 0.325 nan 8.290 nan 0.000 0.512 152 L N -0.204 121.043 121.223 0.041 0.000 2.436 152 L HA 0.560 4.900 4.340 -0.001 0.000 0.265 152 L C 1.267 178.025 176.870 -0.187 0.000 1.168 152 L CA -0.206 54.608 54.840 -0.045 0.000 0.815 152 L CB 1.098 43.144 42.059 -0.022 0.000 1.109 152 L HN 0.231 nan 8.230 nan 0.000 0.462 153 A N 2.488 125.030 122.820 -0.464 0.000 2.915 153 A HA 0.578 4.897 4.320 -0.001 0.000 0.292 153 A C 0.212 177.458 177.584 -0.562 0.000 1.632 153 A CA -0.161 51.299 52.037 -0.961 0.000 1.337 153 A CB -0.671 17.544 19.000 -1.308 0.000 1.111 153 A HN 0.708 nan 8.150 nan 0.000 0.569 154 A N 1.782 124.336 122.820 -0.443 0.000 2.350 154 A HA 0.810 5.130 4.320 -0.001 0.000 0.324 154 A C -1.111 176.244 177.584 -0.382 0.000 1.118 154 A CA -0.434 51.408 52.037 -0.325 0.000 0.783 154 A CB 0.847 19.723 19.000 -0.207 0.000 1.236 154 A HN 0.595 nan 8.150 nan 0.000 0.457 155 Y N -0.015 120.189 120.300 -0.161 0.000 2.524 155 Y HA 0.621 5.170 4.550 -0.001 0.000 0.344 155 Y C 0.775 176.782 175.900 0.178 0.000 1.012 155 Y CA -0.562 57.548 58.100 0.018 0.000 1.068 155 Y CB 2.573 41.119 38.460 0.143 0.000 1.249 155 Y HN 0.829 nan 8.280 nan 0.000 0.468 156 G N 1.347 110.284 108.800 0.227 0.000 2.487 156 G HA2 0.520 4.479 3.960 -0.001 0.000 0.314 156 G HA3 0.520 4.479 3.960 -0.001 0.000 0.314 156 G C -2.075 172.883 174.900 0.098 0.000 1.267 156 G CA -0.416 44.835 45.100 0.252 0.000 0.937 156 G HN 0.445 nan 8.290 nan 0.000 0.481 157 Y N 1.120 121.675 120.300 0.426 0.000 2.364 157 Y HA 0.680 5.230 4.550 -0.001 0.000 0.340 157 Y C 0.790 177.032 175.900 0.570 0.000 0.975 157 Y CA 0.153 58.478 58.100 0.376 0.000 1.089 157 Y CB 2.679 41.385 38.460 0.410 0.000 1.192 157 Y HN 0.839 nan 8.280 nan 0.000 0.454 158 G N 2.366 111.502 108.800 0.561 0.000 2.782 158 G HA2 0.584 4.543 3.960 -0.001 0.000 0.304 158 G HA3 0.584 4.543 3.960 -0.001 0.000 0.304 158 G C -1.630 173.524 174.900 0.423 0.000 1.315 158 G CA -0.882 44.585 45.100 0.612 0.000 0.791 158 G HN 0.460 nan 8.290 nan 0.000 0.519 159 I N 0.372 121.099 120.570 0.261 0.000 2.498 159 I HA 0.450 4.620 4.170 -0.001 0.000 0.301 159 I C 0.329 176.322 176.117 -0.206 0.000 0.984 159 I CA -0.747 60.569 61.300 0.027 0.000 1.204 159 I CB 1.966 39.822 38.000 -0.240 0.000 1.362 159 I HN 0.307 nan 8.210 nan 0.000 0.471 160 R N 5.433 125.862 120.500 -0.118 0.000 2.233 160 R HA 0.292 4.631 4.340 -0.001 0.000 0.334 160 R C -1.546 174.691 176.300 -0.106 0.000 1.037 160 R CA -0.506 55.552 56.100 -0.071 0.000 0.920 160 R CB 0.303 30.560 30.300 -0.070 0.000 1.137 160 R HN 0.414 nan 8.270 nan 0.000 0.492 161 Y N 2.440 122.861 120.300 0.202 0.000 2.359 161 Y HA 0.045 4.594 4.550 -0.001 0.000 0.334 161 Y C 1.312 177.340 175.900 0.214 0.000 1.058 161 Y CA -0.153 58.049 58.100 0.171 0.000 1.244 161 Y CB 1.129 39.672 38.460 0.137 0.000 1.187 161 Y HN 0.583 nan 8.280 nan 0.000 0.510 162 E N 2.014 122.271 120.200 0.096 0.000 2.158 162 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 162 E C 0.038 176.313 176.600 -0.542 0.000 0.982 162 E CA 1.023 57.199 56.400 -0.373 0.000 0.823 162 E CB 0.076 29.356 29.700 -0.700 0.000 0.766 162 E HN 0.625 nan 8.360 nan 0.000 0.468 163 F N -0.312 119.820 119.950 0.304 0.000 2.764 163 F HA 0.311 4.837 4.527 -0.001 0.000 0.310 163 F C 1.284 177.219 175.800 0.224 0.000 1.124 163 F CA 0.024 58.182 58.000 0.264 0.000 1.252 163 F CB 0.527 39.616 39.000 0.148 0.000 1.010 163 F HN -0.033 nan 8.300 nan 0.000 0.518 164 G N 1.588 110.592 108.800 0.339 0.000 2.684 164 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.332 164 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.332 164 G C -0.299 174.556 174.900 -0.075 0.000 1.306 164 G CA 0.465 45.595 45.100 0.050 0.000 1.002 164 G HN 0.201 nan 8.290 nan 0.000 0.545 165 I N 1.099 121.595 120.570 -0.124 0.000 2.571 165 I HA 0.442 4.611 4.170 -0.001 0.000 0.286 165 I C 0.618 176.628 176.117 -0.178 0.000 1.134 165 I CA -0.926 60.298 61.300 -0.125 0.000 1.052 165 I CB 0.676 38.522 38.000 -0.256 0.000 1.237 165 I HN 0.913 nan 8.210 nan 0.000 0.435 166 F N 6.092 126.057 119.950 0.025 0.000 1.963 166 F HA -0.214 4.312 4.527 -0.001 0.000 0.300 166 F C 0.100 175.947 175.800 0.078 0.000 0.648 166 F CA 0.480 58.516 58.000 0.061 0.000 0.878 166 F CB -0.467 38.567 39.000 0.056 0.000 0.798 166 F HN 0.499 nan 8.300 nan 0.000 0.600 167 N N 2.458 121.277 118.700 0.198 0.000 2.530 167 N HA 0.112 4.851 4.740 -0.001 0.000 0.273 167 N C -0.599 175.129 175.510 0.363 0.000 1.173 167 N CA -0.442 52.709 53.050 0.167 0.000 0.967 167 N CB 1.087 39.672 38.487 0.164 0.000 1.109 167 N HN 0.780 nan 8.380 nan 0.000 0.453 168 Q N 1.623 121.610 119.800 0.310 0.000 2.256 168 Q HA 0.239 4.579 4.340 -0.001 0.000 0.254 168 Q C -0.934 175.233 176.000 0.279 0.000 0.916 168 Q CA -0.239 55.803 55.803 0.398 0.000 0.932 168 Q CB 0.848 29.835 28.738 0.414 0.000 1.207 168 Q HN 0.374 nan 8.270 nan 0.000 0.426 169 K N 4.480 125.026 120.400 0.243 0.000 2.378 169 K HA 0.386 4.705 4.320 -0.001 0.000 0.252 169 K C -1.052 175.652 176.600 0.174 0.000 0.931 169 K CA -0.813 55.585 56.287 0.186 0.000 0.794 169 K CB 1.154 33.739 32.500 0.142 0.000 1.181 169 K HN 0.580 nan 8.250 nan 0.000 0.425 170 I N 4.192 124.861 120.570 0.164 0.000 2.310 170 I HA 0.170 4.340 4.170 -0.001 0.000 0.287 170 I C -0.430 175.752 176.117 0.107 0.000 1.073 170 I CA -0.608 60.770 61.300 0.131 0.000 1.216 170 I CB 0.188 38.272 38.000 0.139 0.000 1.415 170 I HN 0.528 nan 8.210 nan 0.000 0.480 171 C N 4.351 123.725 119.300 0.124 0.000 2.239 171 C HA 0.551 5.010 4.460 -0.001 0.000 0.325 171 C C 1.376 176.463 174.990 0.162 0.000 1.231 171 C CA -0.196 58.894 59.018 0.119 0.000 1.652 171 C CB 0.084 27.889 27.740 0.110 0.000 2.284 171 C HN 1.062 nan 8.230 nan 0.000 0.499 172 G N 2.761 111.627 108.800 0.111 0.000 2.198 172 G HA2 0.096 4.055 3.960 -0.001 0.000 0.260 172 G HA3 0.096 4.055 3.960 -0.001 0.000 0.260 172 G C 1.027 175.923 174.900 -0.007 0.000 1.025 172 G CA 0.817 45.981 45.100 0.107 0.000 0.769 172 G HN 2.224 nan 8.290 nan 0.000 0.507 173 G N -2.853 105.895 108.800 -0.088 0.000 2.217 173 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.246 173 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.246 173 G C 0.394 175.023 174.900 -0.452 0.000 0.990 173 G CA 0.576 45.493 45.100 -0.306 0.000 0.627 173 G HN 1.198 nan 8.290 nan 0.000 0.522 174 W N 0.828 122.099 121.300 -0.049 0.000 2.516 174 W HA 0.679 5.339 4.660 -0.000 0.000 0.343 174 W C 0.619 177.110 176.519 -0.047 0.000 1.094 174 W CA -0.875 56.436 57.345 -0.057 0.000 1.250 174 W CB 0.830 30.270 29.460 -0.035 0.000 1.308 174 W HN 0.201 nan 8.180 nan 0.000 0.588 175 Q N 3.090 123.022 119.800 0.221 0.000 2.295 175 Q HA 0.265 4.604 4.340 -0.001 0.000 0.259 175 Q C -0.602 175.471 176.000 0.122 0.000 0.976 175 Q CA -0.116 55.774 55.803 0.145 0.000 0.923 175 Q CB 0.544 29.350 28.738 0.113 0.000 1.185 175 Q HN 0.332 nan 8.270 nan 0.000 0.410 176 M N 3.858 123.525 119.600 0.112 0.000 2.404 176 M HA 0.278 4.757 4.480 -0.001 0.000 0.338 176 M C -0.593 175.744 176.300 0.063 0.000 1.150 176 M CA -0.534 54.803 55.300 0.062 0.000 1.016 176 M CB 1.696 34.340 32.600 0.073 0.000 1.672 176 M HN 0.640 nan 8.290 nan 0.000 0.448 177 E N 2.131 122.318 120.200 -0.023 0.000 2.101 177 E HA 0.431 4.780 4.350 -0.001 0.000 0.260 177 E C -1.059 175.593 176.600 0.087 0.000 0.897 177 E CA -0.356 56.041 56.400 -0.005 0.000 0.744 177 E CB 1.126 30.521 29.700 -0.508 0.000 1.140 177 E HN 0.581 nan 8.360 nan 0.000 0.419 178 E N 1.522 121.825 120.200 0.172 0.000 2.349 178 E HA 0.424 4.773 4.350 -0.001 0.000 0.265 178 E C -0.320 176.390 176.600 0.183 0.000 1.064 178 E CA -0.684 55.800 56.400 0.141 0.000 0.886 178 E CB 1.283 31.062 29.700 0.131 0.000 1.036 178 E HN 0.662 nan 8.360 nan 0.000 0.413 179 A N 2.241 125.135 122.820 0.123 0.000 2.440 179 A HA 0.014 4.334 4.320 -0.001 0.000 0.251 179 A C -0.130 177.581 177.584 0.211 0.000 1.089 179 A CA -0.262 51.858 52.037 0.138 0.000 0.779 179 A CB 0.227 19.226 19.000 -0.001 0.000 1.022 179 A HN 0.551 nan 8.150 nan 0.000 0.492 180 D N 1.686 122.253 120.400 0.279 0.000 2.470 180 D HA 0.154 4.793 4.640 -0.001 0.000 0.226 180 D C -0.389 176.195 176.300 0.473 0.000 1.196 180 D CA 0.027 54.214 54.000 0.311 0.000 0.979 180 D CB 0.288 41.223 40.800 0.225 0.000 1.059 180 D HN 0.415 nan 8.370 nan 0.000 0.515 181 D N 3.531 124.172 120.400 0.402 0.000 3.032 181 D HA -0.032 4.607 4.640 -0.001 0.000 0.241 181 D C 1.216 177.663 176.300 0.245 0.000 1.196 181 D CA -0.449 53.781 54.000 0.384 0.000 0.927 181 D CB -0.236 40.728 40.800 0.272 0.000 1.129 181 D HN 0.541 nan 8.370 nan 0.000 0.458 182 W N 0.640 122.001 121.300 0.101 0.000 2.721 182 W HA 0.020 4.680 4.660 -0.001 0.000 0.245 182 W C -0.142 176.424 176.519 0.078 0.000 1.276 182 W CA 0.029 57.430 57.345 0.092 0.000 1.342 182 W CB -0.612 28.901 29.460 0.087 0.000 1.135 182 W HN 0.152 nan 8.180 nan 0.000 0.654 183 L N 2.117 123.020 121.223 -0.533 0.000 2.959 183 L HA 0.171 4.511 4.340 -0.001 0.000 0.259 183 L C 2.728 179.396 176.870 -0.337 0.000 1.185 183 L CA -0.128 54.321 54.840 -0.653 0.000 0.998 183 L CB -0.221 41.235 42.059 -1.004 0.000 1.337 183 L HN -0.186 nan 8.230 nan 0.000 0.555 184 R N -0.155 120.197 120.500 -0.248 0.000 2.189 184 R HA -0.143 4.197 4.340 -0.001 0.000 0.223 184 R C 0.522 176.579 176.300 -0.406 0.000 1.092 184 R CA 1.485 57.382 56.100 -0.338 0.000 0.989 184 R CB -0.485 29.573 30.300 -0.402 0.000 0.876 184 R HN 0.317 nan 8.270 nan 0.000 0.457 185 Y N 0.557 120.881 120.300 0.041 0.000 2.507 185 Y HA 0.412 4.961 4.550 -0.001 0.000 0.254 185 Y C 1.161 177.042 175.900 -0.032 0.000 1.171 185 Y CA 0.313 58.467 58.100 0.089 0.000 1.238 185 Y CB 0.637 39.275 38.460 0.298 0.000 1.148 185 Y HN 0.440 nan 8.280 nan 0.000 0.525 186 G N 1.329 110.124 108.800 -0.008 0.000 2.661 186 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.685 186 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.685 186 G C -1.280 173.567 174.900 -0.090 0.000 1.298 186 G CA -0.761 44.255 45.100 -0.139 0.000 0.855 186 G HN 0.302 nan 8.290 nan 0.000 0.560 187 N N 0.600 119.216 118.700 -0.139 0.000 2.504 187 N HA 0.639 5.378 4.740 -0.001 0.000 0.280 187 N C -0.809 174.627 175.510 -0.122 0.000 1.052 187 N CA -1.655 51.383 53.050 -0.020 0.000 0.887 187 N CB 2.357 40.826 38.487 -0.030 0.000 1.323 187 N HN 0.240 nan 8.380 nan 0.000 0.509 188 P HA 0.024 nan 4.420 nan 0.000 0.229 188 P C 0.634 177.584 177.300 -0.584 0.000 1.160 188 P CA 0.754 63.462 63.100 -0.654 0.000 0.777 188 P CB 0.144 31.234 31.700 -1.017 0.000 0.814 189 W N 1.902 123.144 121.300 -0.096 0.000 2.518 189 W HA 0.018 4.678 4.660 -0.001 0.000 0.273 189 W C 1.435 177.908 176.519 -0.076 0.000 1.247 189 W CA -0.183 57.115 57.345 -0.077 0.000 1.288 189 W CB -0.153 29.305 29.460 -0.004 0.000 1.107 189 W HN 0.019 nan 8.180 nan 0.000 0.586 190 E N 1.239 121.531 120.200 0.153 0.000 2.280 190 E HA 0.312 4.661 4.350 -0.001 0.000 0.264 190 E C -0.295 176.342 176.600 0.061 0.000 1.064 190 E CA -0.620 55.847 56.400 0.113 0.000 0.900 190 E CB 1.104 30.906 29.700 0.170 0.000 1.123 190 E HN -0.359 nan 8.360 nan 0.000 0.418 191 K N 0.852 121.274 120.400 0.037 0.000 2.545 191 K HA 0.387 4.707 4.320 -0.001 0.000 0.252 191 K C -1.199 175.330 176.600 -0.119 0.000 0.948 191 K CA -0.682 55.585 56.287 -0.033 0.000 0.827 191 K CB 1.771 34.208 32.500 -0.106 0.000 1.128 191 K HN 0.697 nan 8.250 nan 0.000 0.429 192 A N 3.979 126.669 122.820 -0.217 0.000 2.462 192 A HA 0.342 4.661 4.320 -0.001 0.000 0.243 192 A C -0.011 177.361 177.584 -0.353 0.000 1.076 192 A CA -0.048 51.598 52.037 -0.651 0.000 0.773 192 A CB 0.289 19.008 19.000 -0.469 0.000 1.010 192 A HN 0.574 nan 8.150 nan 0.000 0.493 193 R N 2.586 122.875 120.500 -0.352 0.000 2.651 193 R HA 0.221 4.561 4.340 -0.001 0.000 0.282 193 R C -2.533 173.723 176.300 -0.073 0.000 1.565 193 R CA -1.634 54.426 56.100 -0.067 0.000 1.661 193 R CB 0.533 30.953 30.300 0.201 0.000 1.189 193 R HN 0.442 nan 8.270 nan 0.000 0.621 194 P HA -0.177 nan 4.420 nan 0.000 0.217 194 P C 0.534 177.761 177.300 -0.121 0.000 1.148 194 P CA 1.313 64.356 63.100 -0.095 0.000 0.828 194 P CB 0.460 32.104 31.700 -0.093 0.000 0.783 195 E N -1.158 118.885 120.200 -0.262 0.000 2.204 195 E HA -0.125 4.224 4.350 -0.001 0.000 0.195 195 E C 0.656 176.960 176.600 -0.493 0.000 0.990 195 E CA 0.970 57.100 56.400 -0.451 0.000 0.821 195 E CB -0.996 28.267 29.700 -0.730 0.000 0.750 195 E HN 0.364 nan 8.360 nan 0.000 0.477 196 F N 1.000 120.974 119.950 0.039 0.000 2.819 196 F HA 0.243 4.770 4.527 -0.001 0.000 0.294 196 F C 0.183 176.076 175.800 0.155 0.000 1.166 196 F CA -0.448 57.609 58.000 0.095 0.000 1.374 196 F CB -0.248 38.818 39.000 0.109 0.000 0.956 196 F HN -0.311 nan 8.300 nan 0.000 0.509 197 T N 3.386 118.055 114.554 0.192 0.000 2.817 197 T HA 0.324 4.674 4.350 -0.001 0.000 0.295 197 T C 0.150 174.931 174.700 0.136 0.000 0.958 197 T CA 0.322 62.529 62.100 0.179 0.000 1.157 197 T CB 0.225 69.150 68.868 0.095 0.000 0.898 197 T HN 0.098 nan 8.240 nan 0.000 0.536 198 L N 6.229 127.513 121.223 0.102 0.000 2.342 198 L HA 0.513 4.852 4.340 -0.001 0.000 0.271 198 L C -2.279 174.532 176.870 -0.100 0.000 1.008 198 L CA -2.750 52.078 54.840 -0.021 0.000 0.818 198 L CB 1.941 43.928 42.059 -0.120 0.000 1.296 198 L HN 0.353 nan 8.230 nan 0.000 0.427 199 P HA 0.252 nan 4.420 nan 0.000 0.279 199 P C -1.063 176.031 177.300 -0.343 0.000 1.239 199 P CA -0.345 62.616 63.100 -0.232 0.000 0.789 199 P CB 1.419 32.973 31.700 -0.243 0.000 0.933 200 V N 3.983 123.659 119.914 -0.396 0.000 2.588 200 V HA 0.305 4.424 4.120 -0.001 0.000 0.304 200 V C -0.007 175.749 176.094 -0.562 0.000 1.042 200 V CA -0.601 61.432 62.300 -0.445 0.000 0.877 200 V CB 1.339 32.936 31.823 -0.377 0.000 0.996 200 V HN 0.600 nan 8.190 nan 0.000 0.425 201 H N 3.901 122.746 119.070 -0.374 0.000 2.479 201 H HA 0.646 5.201 4.556 -0.001 0.000 0.335 201 H C -1.273 173.736 175.328 -0.533 0.000 1.142 201 H CA -0.155 55.615 56.048 -0.464 0.000 1.234 201 H CB 1.958 31.256 29.762 -0.772 0.000 1.503 201 H HN 0.448 nan 8.280 nan 0.000 0.510 202 F N -0.129 119.856 119.950 0.058 0.000 2.643 202 F HA 0.212 4.739 4.527 -0.001 0.000 0.314 202 F C -0.200 175.687 175.800 0.144 0.000 1.096 202 F CA -0.708 57.347 58.000 0.091 0.000 0.953 202 F CB 0.681 39.683 39.000 0.002 0.000 1.345 202 F HN 0.566 nan 8.300 nan 0.000 0.468 203 Y N 0.073 120.649 120.300 0.460 0.000 2.896 203 Y HA 0.025 4.574 4.550 -0.001 0.000 0.466 203 Y C 1.355 177.457 175.900 0.337 0.000 1.196 203 Y CA 0.824 59.102 58.100 0.297 0.000 2.514 203 Y CB -1.829 36.735 38.460 0.172 0.000 1.231 203 Y HN 1.346 nan 8.280 nan 0.000 0.632 204 G N 0.518 109.554 108.800 0.393 0.000 2.698 204 G HA2 0.059 4.019 3.960 -0.001 0.000 0.233 204 G HA3 0.059 4.019 3.960 -0.001 0.000 0.233 204 G C -0.620 174.470 174.900 0.317 0.000 1.352 204 G CA 0.582 45.836 45.100 0.258 0.000 0.879 204 G HN 1.269 nan 8.290 nan 0.000 0.567 205 R N -2.301 118.370 120.500 0.285 0.000 2.836 205 R HA 0.792 5.131 4.340 -0.001 0.000 0.269 205 R C -1.052 175.384 176.300 0.226 0.000 1.010 205 R CA -1.073 55.159 56.100 0.220 0.000 0.930 205 R CB 1.640 32.016 30.300 0.126 0.000 1.218 205 R HN 0.760 nan 8.270 nan 0.000 0.473 206 V N 0.557 120.516 119.914 0.076 0.000 2.472 206 V HA 0.397 4.517 4.120 -0.001 0.000 0.290 206 V C -0.280 175.741 176.094 -0.122 0.000 1.037 206 V CA -0.540 61.732 62.300 -0.046 0.000 0.908 206 V CB 1.429 33.139 31.823 -0.189 0.000 0.985 206 V HN 0.773 nan 8.190 nan 0.000 0.454 207 E N 2.419 122.522 120.200 -0.161 0.000 2.244 207 E HA 0.337 4.687 4.350 -0.001 0.000 0.260 207 E C -1.164 175.328 176.600 -0.180 0.000 0.884 207 E CA -0.754 55.574 56.400 -0.119 0.000 0.777 207 E CB 0.922 30.609 29.700 -0.021 0.000 1.197 207 E HN 0.742 nan 8.360 nan 0.000 0.416 208 H N 2.890 121.974 119.070 0.024 0.000 2.969 208 H HA 0.101 4.656 4.556 -0.001 0.000 0.269 208 H C 0.111 175.448 175.328 0.015 0.000 1.223 208 H CA 0.152 56.209 56.048 0.015 0.000 1.400 208 H CB 0.767 30.534 29.762 0.008 0.000 1.500 208 H HN 0.327 nan 8.280 nan 0.000 0.486 209 T N 0.888 115.503 114.554 0.101 0.000 2.918 209 T HA 0.083 4.432 4.350 -0.001 0.000 0.283 209 T C 1.663 176.402 174.700 0.066 0.000 1.001 209 T CA -0.110 62.030 62.100 0.067 0.000 1.041 209 T CB 0.807 69.699 68.868 0.040 0.000 1.028 209 T HN 0.665 nan 8.240 nan 0.000 0.511 210 S N 2.245 117.973 115.700 0.046 0.000 2.402 210 S HA -0.195 4.274 4.470 -0.001 0.000 0.233 210 S C 1.799 176.421 174.600 0.036 0.000 1.030 210 S CA 1.388 59.610 58.200 0.037 0.000 1.003 210 S CB -0.519 62.697 63.200 0.027 0.000 0.813 210 S HN 0.681 nan 8.310 nan 0.000 0.477 211 Q N 2.161 121.983 119.800 0.036 0.000 1.864 211 Q HA 0.376 4.715 4.340 -0.001 0.000 0.219 211 Q C 1.286 177.311 176.000 0.043 0.000 0.975 211 Q CA 1.829 57.652 55.803 0.034 0.000 0.862 211 Q CB -1.110 27.645 28.738 0.028 0.000 0.913 211 Q HN 0.583 nan 8.270 nan 0.000 0.431 212 G N -1.258 107.569 108.800 0.046 0.000 3.302 212 G HA2 0.666 4.625 3.960 -0.001 0.000 0.170 212 G HA3 0.666 4.625 3.960 -0.001 0.000 0.170 212 G C -1.485 173.461 174.900 0.076 0.000 1.119 212 G CA -0.182 44.953 45.100 0.058 0.000 0.826 212 G HN 0.503 nan 8.290 nan 0.000 0.646 213 A N -0.182 122.670 122.820 0.053 0.000 2.317 213 A HA 0.767 5.086 4.320 -0.001 0.000 0.327 213 A C -0.612 176.957 177.584 -0.026 0.000 1.178 213 A CA -0.519 51.514 52.037 -0.006 0.000 0.817 213 A CB 1.319 20.306 19.000 -0.022 0.000 1.189 213 A HN 0.252 nan 8.150 nan 0.000 0.489 214 K N 1.205 121.579 120.400 -0.044 0.000 2.292 214 K HA 0.260 4.579 4.320 -0.001 0.000 0.257 214 K C -1.680 174.970 176.600 0.084 0.000 0.940 214 K CA -0.239 56.057 56.287 0.015 0.000 0.811 214 K CB 1.855 34.361 32.500 0.009 0.000 1.120 214 K HN 0.750 nan 8.250 nan 0.000 0.428 215 W N 5.482 126.712 121.300 -0.117 0.000 2.298 215 W HA 0.332 4.991 4.660 -0.001 0.000 0.327 215 W C -0.492 175.968 176.519 -0.100 0.000 0.988 215 W CA -1.102 56.176 57.345 -0.112 0.000 1.448 215 W CB -0.026 29.356 29.460 -0.129 0.000 1.243 215 W HN 0.273 nan 8.180 nan 0.000 0.388 216 V N 2.039 121.995 119.914 0.070 0.000 3.234 216 V HA 0.598 4.717 4.120 -0.001 0.000 0.317 216 V C 0.239 176.300 176.094 -0.057 0.000 1.147 216 V CA -0.758 61.514 62.300 -0.047 0.000 1.037 216 V CB 1.659 33.483 31.823 0.001 0.000 1.148 216 V HN 0.399 nan 8.190 nan 0.000 0.455 217 D N 0.053 120.425 120.400 -0.045 0.000 2.860 217 D HA -0.159 4.481 4.640 -0.001 0.000 0.229 217 D C 0.664 176.951 176.300 -0.022 0.000 1.169 217 D CA 1.584 55.575 54.000 -0.014 0.000 0.737 217 D CB -1.663 39.153 40.800 0.027 0.000 1.080 217 D HN 1.307 nan 8.370 nan 0.000 0.424 218 T N -2.357 112.120 114.554 -0.128 0.000 2.813 218 T HA 0.367 4.717 4.350 -0.001 0.000 0.297 218 T C 0.460 175.178 174.700 0.029 0.000 1.036 218 T CA -0.741 61.286 62.100 -0.121 0.000 1.044 218 T CB 1.780 70.373 68.868 -0.458 0.000 0.993 218 T HN 0.330 nan 8.240 nan 0.000 0.535 219 Q N 0.423 120.302 119.800 0.131 0.000 2.266 219 Q HA 0.661 5.000 4.340 -0.001 0.000 0.261 219 Q C -1.443 174.627 176.000 0.117 0.000 0.985 219 Q CA -1.142 54.741 55.803 0.133 0.000 0.873 219 Q CB 1.705 30.543 28.738 0.167 0.000 1.306 219 Q HN 0.521 nan 8.270 nan 0.000 0.447 220 V N 2.298 122.236 119.914 0.040 0.000 2.547 220 V HA 0.485 4.604 4.120 -0.001 0.000 0.299 220 V C -0.422 175.698 176.094 0.043 0.000 1.040 220 V CA -0.768 61.489 62.300 -0.071 0.000 0.913 220 V CB 1.739 33.472 31.823 -0.150 0.000 0.992 220 V HN 0.706 nan 8.190 nan 0.000 0.449 221 V N 5.257 125.207 119.914 0.061 0.000 2.540 221 V HA 0.462 4.582 4.120 -0.001 0.000 0.302 221 V C -0.172 175.991 176.094 0.114 0.000 1.035 221 V CA -0.630 61.760 62.300 0.150 0.000 0.873 221 V CB 1.817 33.829 31.823 0.314 0.000 0.992 221 V HN 0.624 nan 8.190 nan 0.000 0.428 222 L N 3.808 125.105 121.223 0.125 0.000 2.349 222 L HA 0.695 5.035 4.340 -0.001 0.000 0.275 222 L C 0.472 177.502 176.870 0.266 0.000 1.115 222 L CA -0.203 54.712 54.840 0.125 0.000 0.820 222 L CB 1.255 43.371 42.059 0.094 0.000 1.135 222 L HN 0.772 nan 8.230 nan 0.000 0.445 223 A N 5.561 128.500 122.820 0.198 0.000 2.285 223 A HA 0.602 4.921 4.320 -0.001 0.000 0.310 223 A C -0.510 177.341 177.584 0.445 0.000 1.266 223 A CA -0.483 51.735 52.037 0.303 0.000 0.832 223 A CB 1.018 19.796 19.000 -0.369 0.000 1.163 223 A HN 0.773 nan 8.150 nan 0.000 0.499 224 M N 5.211 125.120 119.600 0.515 0.000 2.238 224 M HA 0.452 4.931 4.480 -0.001 0.000 0.350 224 M C -2.523 174.000 176.300 0.373 0.000 1.138 224 M CA -2.123 53.409 55.300 0.388 0.000 1.040 224 M CB 2.363 35.097 32.600 0.223 0.000 1.639 224 M HN 0.402 nan 8.290 nan 0.000 0.451 225 P HA 0.292 nan 4.420 nan 0.000 0.287 225 P C -1.919 175.188 177.300 -0.322 0.000 1.270 225 P CA -0.205 62.663 63.100 -0.386 0.000 0.844 225 P CB 0.725 31.996 31.700 -0.714 0.000 1.068 226 Y N 0.271 120.413 120.300 -0.264 0.000 2.326 226 Y HA 0.274 4.824 4.550 -0.001 0.000 0.329 226 Y C 0.218 175.983 175.900 -0.224 0.000 0.973 226 Y CA -0.351 57.647 58.100 -0.170 0.000 1.162 226 Y CB 1.233 39.631 38.460 -0.104 0.000 1.147 226 Y HN 0.197 nan 8.280 nan 0.000 0.456 227 D N 2.311 122.644 120.400 -0.111 0.000 2.256 227 D HA 0.323 4.963 4.640 -0.001 0.000 0.250 227 D C -0.472 175.725 176.300 -0.171 0.000 1.093 227 D CA -0.011 53.877 54.000 -0.186 0.000 0.882 227 D CB 1.712 42.357 40.800 -0.257 0.000 1.185 227 D HN 0.372 nan 8.370 nan 0.000 0.437 228 T N 2.969 117.413 114.554 -0.184 0.000 2.840 228 T HA 0.439 4.788 4.350 -0.001 0.000 0.287 228 T C -2.574 172.000 174.700 -0.210 0.000 0.991 228 T CA -1.452 60.559 62.100 -0.149 0.000 0.964 228 T CB 2.005 70.831 68.868 -0.070 0.000 0.954 228 T HN 0.066 nan 8.240 nan 0.000 0.438 229 P HA 0.340 nan 4.420 nan 0.000 0.275 229 P C -0.852 176.396 177.300 -0.086 0.000 1.227 229 P CA -0.592 62.383 63.100 -0.207 0.000 0.781 229 P CB 0.664 32.230 31.700 -0.223 0.000 0.906 230 V N 1.066 120.967 119.914 -0.021 0.000 2.443 230 V HA 0.638 4.758 4.120 -0.001 0.000 0.293 230 V C -2.773 173.323 176.094 0.003 0.000 1.021 230 V CA -2.783 59.493 62.300 -0.040 0.000 0.848 230 V CB 1.845 33.638 31.823 -0.051 0.000 0.998 230 V HN 0.361 nan 8.190 nan 0.000 0.424 231 P HA 0.393 nan 4.420 nan 0.000 0.285 231 P C 0.468 177.778 177.300 0.016 0.000 1.259 231 P CA 0.390 63.495 63.100 0.008 0.000 0.794 231 P CB 1.663 33.358 31.700 -0.009 0.000 0.940 232 G N 1.936 110.752 108.800 0.027 0.000 2.651 232 G HA2 0.101 4.061 3.960 -0.001 0.000 0.260 232 G HA3 0.101 4.061 3.960 -0.001 0.000 0.260 232 G C -1.148 173.790 174.900 0.063 0.000 1.216 232 G CA -0.375 44.755 45.100 0.049 0.000 0.913 232 G HN 0.479 nan 8.290 nan 0.000 0.535 233 Y N 0.651 120.935 120.300 -0.025 0.000 2.585 233 Y HA 0.279 4.828 4.550 -0.001 0.000 0.354 233 Y C 1.424 177.303 175.900 -0.035 0.000 1.024 233 Y CA -0.262 57.816 58.100 -0.037 0.000 1.321 233 Y CB -0.069 38.364 38.460 -0.047 0.000 1.151 233 Y HN 0.726 nan 8.280 nan 0.000 0.525 234 R N 3.129 123.320 120.500 -0.515 0.000 3.502 234 R HA -0.324 4.015 4.340 -0.001 0.000 0.266 234 R C 0.122 176.295 176.300 -0.213 0.000 1.077 234 R CA 1.393 57.224 56.100 -0.447 0.000 0.718 234 R CB -1.776 28.099 30.300 -0.707 0.000 1.120 234 R HN 0.949 nan 8.270 nan 0.000 0.457 235 N N -1.086 117.543 118.700 -0.119 0.000 2.177 235 N HA 0.053 4.792 4.740 -0.001 0.000 0.218 235 N C -0.041 175.432 175.510 -0.062 0.000 1.182 235 N CA -0.462 52.548 53.050 -0.066 0.000 0.882 235 N CB 0.497 38.971 38.487 -0.022 0.000 1.052 235 N HN 0.074 nan 8.380 nan 0.000 0.519 236 N N 0.125 118.785 118.700 -0.066 0.000 2.765 236 N HA -0.162 4.578 4.740 -0.001 0.000 0.248 236 N C -0.244 175.238 175.510 -0.046 0.000 1.063 236 N CA 1.211 54.230 53.050 -0.052 0.000 0.862 236 N CB -1.411 37.041 38.487 -0.060 0.000 1.145 236 N HN 0.502 nan 8.380 nan 0.000 0.581 237 V N -1.240 118.654 119.914 -0.034 0.000 2.432 237 V HA 0.642 4.761 4.120 -0.001 0.000 0.275 237 V C 0.210 176.311 176.094 0.011 0.000 1.043 237 V CA -0.527 61.756 62.300 -0.028 0.000 0.925 237 V CB 1.939 33.766 31.823 0.005 0.000 0.985 237 V HN -0.064 nan 8.190 nan 0.000 0.466 238 V N 6.774 126.699 119.914 0.019 0.000 2.409 238 V HA 0.534 4.654 4.120 -0.001 0.000 0.290 238 V C -0.074 176.121 176.094 0.168 0.000 1.017 238 V CA -0.592 61.776 62.300 0.115 0.000 0.841 238 V CB 1.145 33.091 31.823 0.206 0.000 1.003 238 V HN 0.991 nan 8.190 nan 0.000 0.426 239 N N 2.032 120.809 118.700 0.129 0.000 2.538 239 N HA 0.561 5.300 4.740 -0.001 0.000 0.292 239 N C -0.129 175.465 175.510 0.141 0.000 1.262 239 N CA -0.410 52.687 53.050 0.078 0.000 0.976 239 N CB 1.177 39.643 38.487 -0.036 0.000 1.161 239 N HN 0.566 nan 8.380 nan 0.000 0.598 240 T N 0.858 115.420 114.554 0.013 0.000 2.792 240 T HA 0.369 4.719 4.350 -0.001 0.000 0.280 240 T C -0.165 174.490 174.700 -0.074 0.000 0.990 240 T CA -0.447 61.690 62.100 0.060 0.000 0.960 240 T CB 0.762 69.773 68.868 0.238 0.000 0.939 240 T HN 0.265 nan 8.240 nan 0.000 0.439 241 M N 3.866 123.373 119.600 -0.156 0.000 2.061 241 M HA 0.519 4.999 4.480 -0.001 0.000 0.346 241 M C -0.420 175.681 176.300 -0.331 0.000 1.112 241 M CA -0.780 54.344 55.300 -0.293 0.000 1.021 241 M CB 0.418 32.807 32.600 -0.351 0.000 1.530 241 M HN 0.393 nan 8.290 nan 0.000 0.437 242 R N 4.459 124.659 120.500 -0.501 0.000 2.229 242 R HA 0.593 4.933 4.340 -0.001 0.000 0.332 242 R C -2.027 173.921 176.300 -0.587 0.000 0.989 242 R CA -0.333 55.389 56.100 -0.630 0.000 0.842 242 R CB 0.765 30.462 30.300 -1.004 0.000 1.119 242 R HN 0.625 nan 8.270 nan 0.000 0.456 243 L N 5.020 125.993 121.223 -0.417 0.000 2.346 243 L HA 0.548 4.887 4.340 -0.001 0.000 0.276 243 L C -0.999 175.750 176.870 -0.202 0.000 1.006 243 L CA -0.657 54.058 54.840 -0.208 0.000 0.817 243 L CB 1.379 43.406 42.059 -0.054 0.000 1.272 243 L HN 0.642 nan 8.230 nan 0.000 0.421 244 W N 1.428 122.835 121.300 0.178 0.000 2.449 244 W HA 0.690 5.350 4.660 -0.001 0.000 0.331 244 W C 0.331 177.047 176.519 0.328 0.000 1.119 244 W CA -0.328 57.158 57.345 0.236 0.000 1.240 244 W CB 1.772 31.296 29.460 0.106 0.000 1.251 244 W HN 0.423 nan 8.180 nan 0.000 0.576 245 S N 1.365 117.464 115.700 0.664 0.000 2.538 245 S HA 0.788 5.258 4.470 -0.001 0.000 0.288 245 S C -0.839 174.065 174.600 0.508 0.000 1.108 245 S CA -0.682 57.795 58.200 0.462 0.000 0.971 245 S CB 0.771 64.209 63.200 0.397 0.000 1.041 245 S HN 0.550 nan 8.310 nan 0.000 0.483 246 A N 4.026 126.992 122.820 0.244 0.000 2.301 246 A HA 0.755 5.074 4.320 -0.001 0.000 0.298 246 A C -0.426 177.235 177.584 0.127 0.000 1.185 246 A CA -0.431 51.678 52.037 0.120 0.000 0.830 246 A CB 0.401 19.213 19.000 -0.313 0.000 1.112 246 A HN 0.767 nan 8.150 nan 0.000 0.508 247 K N 0.995 121.488 120.400 0.154 0.000 2.468 247 K HA 0.620 4.940 4.320 -0.001 0.000 0.252 247 K C -0.497 176.157 176.600 0.089 0.000 0.932 247 K CA -0.424 55.929 56.287 0.109 0.000 0.794 247 K CB 2.369 34.938 32.500 0.116 0.000 1.241 247 K HN 0.862 nan 8.250 nan 0.000 0.428 248 A N 3.340 126.199 122.820 0.064 0.000 2.354 248 A HA 0.516 4.835 4.320 -0.001 0.000 0.269 248 A C -2.313 175.297 177.584 0.044 0.000 1.109 248 A CA -1.258 50.811 52.037 0.054 0.000 0.800 248 A CB -0.244 18.781 19.000 0.043 0.000 1.045 248 A HN 0.404 nan 8.150 nan 0.000 0.489 249 P HA 0.270 nan 4.420 nan 0.000 0.275 249 P C -0.514 176.798 177.300 0.019 0.000 1.228 249 P CA -0.229 62.886 63.100 0.024 0.000 0.786 249 P CB 0.602 32.312 31.700 0.017 0.000 0.927 262 Y N -0.232 120.066 120.300 -0.003 0.000 2.581 262 Y HA 0.462 5.011 4.550 -0.001 0.000 0.337 262 Y C 0.097 175.995 175.900 -0.003 0.000 1.108 262 Y CA -0.936 57.163 58.100 -0.003 0.000 1.033 262 Y CB 2.034 40.492 38.460 -0.003 0.000 1.318 262 Y HN 0.622 nan 8.280 nan 0.000 0.459 263 I N 1.107 121.529 120.570 -0.246 0.000 2.528 263 I HA 0.218 4.387 4.170 -0.001 0.000 0.276 263 I C -0.046 176.062 176.117 -0.016 0.000 1.056 263 I CA 0.126 61.343 61.300 -0.137 0.000 1.858 263 I CB 0.129 38.002 38.000 -0.210 0.000 1.448 263 I HN 0.470 nan 8.210 nan 0.000 0.776 264 Q N 2.174 122.005 119.800 0.053 0.000 2.246 264 Q HA 0.307 4.646 4.340 -0.001 0.000 0.202 264 Q C 1.903 177.917 176.000 0.024 0.000 0.883 264 Q CA 0.540 56.374 55.803 0.053 0.000 0.952 264 Q CB 0.835 29.618 28.738 0.076 0.000 1.078 264 Q HN 0.826 nan 8.270 nan 0.000 0.493 265 A N 0.240 123.068 122.820 0.013 0.000 2.024 265 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 265 A C 2.180 179.769 177.584 0.007 0.000 1.164 265 A CA 1.228 53.270 52.037 0.007 0.000 0.643 265 A CB -0.424 18.576 19.000 0.000 0.000 0.806 265 A HN 0.210 nan 8.150 nan 0.000 0.451 266 V N -0.451 119.465 119.914 0.004 0.000 2.324 266 V HA -0.305 3.815 4.120 -0.001 0.000 0.250 266 V C 2.499 178.602 176.094 0.014 0.000 1.060 266 V CA 2.288 64.592 62.300 0.006 0.000 1.042 266 V CB -0.691 31.134 31.823 0.003 0.000 0.650 266 V HN 0.567 nan 8.190 nan 0.000 0.450 267 L N -0.653 120.579 121.223 0.016 0.000 2.162 267 L HA -0.051 4.288 4.340 -0.001 0.000 0.205 267 L C 2.211 179.089 176.870 0.014 0.000 1.086 267 L CA 1.436 56.285 54.840 0.016 0.000 0.778 267 L CB -0.703 41.365 42.059 0.014 0.000 0.928 267 L HN 0.244 nan 8.230 nan 0.000 0.446 268 D N -0.202 120.205 120.400 0.012 0.000 2.144 268 D HA -0.194 4.445 4.640 -0.001 0.000 0.199 268 D C 2.290 178.606 176.300 0.026 0.000 0.984 268 D CA 0.964 54.974 54.000 0.016 0.000 0.834 268 D CB -0.053 40.756 40.800 0.014 0.000 0.955 268 D HN 0.168 nan 8.370 nan 0.000 0.465 269 R N 0.600 121.114 120.500 0.023 0.000 2.083 269 R HA -0.102 4.238 4.340 -0.001 0.000 0.237 269 R C 2.075 178.392 176.300 0.028 0.000 1.137 269 R CA 1.289 57.405 56.100 0.027 0.000 0.951 269 R CB -0.084 30.229 30.300 0.021 0.000 0.851 269 R HN 0.117 nan 8.270 nan 0.000 0.434 270 N N 0.305 119.021 118.700 0.026 0.000 2.142 270 N HA -0.132 4.607 4.740 -0.001 0.000 0.186 270 N C 1.723 177.250 175.510 0.028 0.000 1.023 270 N CA 1.039 54.107 53.050 0.030 0.000 0.852 270 N CB 0.074 38.578 38.487 0.028 0.000 0.998 270 N HN 0.221 nan 8.380 nan 0.000 0.424 271 L N 0.669 121.905 121.223 0.021 0.000 2.291 271 L HA -0.030 4.309 4.340 -0.001 0.000 0.214 271 L C 2.522 179.388 176.870 -0.005 0.000 1.120 271 L CA 0.639 55.487 54.840 0.012 0.000 0.799 271 L CB -0.257 41.808 42.059 0.011 0.000 0.925 271 L HN 0.152 nan 8.230 nan 0.000 0.446 272 A N 0.236 123.061 122.820 0.007 0.000 1.854 272 A HA -0.175 4.144 4.320 -0.001 0.000 0.214 272 A C 2.165 179.728 177.584 -0.034 0.000 1.192 272 A CA 1.357 53.392 52.037 -0.002 0.000 0.611 272 A CB -0.322 18.699 19.000 0.036 0.000 0.832 272 A HN 0.402 nan 8.150 nan 0.000 0.442 273 E N 0.387 120.588 120.200 0.001 0.000 2.274 273 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 273 E C 1.230 177.843 176.600 0.023 0.000 0.996 273 E CA 1.048 57.455 56.400 0.011 0.000 0.840 273 E CB -0.289 29.438 29.700 0.044 0.000 0.772 273 E HN 0.935 nan 8.360 nan 0.000 0.491 274 N N 0.655 119.377 118.700 0.037 0.000 2.449 274 N HA 0.023 4.763 4.740 -0.001 0.000 0.191 274 N C 1.547 177.095 175.510 0.063 0.000 1.161 274 N CA -0.038 53.059 53.050 0.078 0.000 0.863 274 N CB 0.036 38.583 38.487 0.101 0.000 0.980 274 N HN 0.120 nan 8.380 nan 0.000 0.458 275 I N 0.417 120.966 120.570 -0.035 0.000 2.286 275 I HA -0.192 3.978 4.170 -0.001 0.000 0.248 275 I C 1.521 177.608 176.117 -0.050 0.000 1.115 275 I CA 1.133 62.370 61.300 -0.105 0.000 1.392 275 I CB -0.002 37.755 38.000 -0.406 0.000 1.065 275 I HN 0.153 nan 8.210 nan 0.000 0.418 276 S N -0.376 115.294 115.700 -0.051 0.000 2.582 276 S HA 0.236 4.705 4.470 -0.001 0.000 0.234 276 S C 1.519 176.188 174.600 0.116 0.000 0.961 276 S CA -0.249 57.952 58.200 0.001 0.000 0.953 276 S CB 0.015 63.204 63.200 -0.018 0.000 0.800 276 S HN 0.270 nan 8.310 nan 0.000 0.471 277 R N -0.334 120.287 120.500 0.202 0.000 2.140 277 R HA 0.332 4.671 4.340 -0.001 0.000 0.200 277 R C 0.121 176.633 176.300 0.354 0.000 1.069 277 R CA 0.474 56.753 56.100 0.298 0.000 1.088 277 R CB 0.266 30.769 30.300 0.339 0.000 1.012 277 R HN 0.205 nan 8.270 nan 0.000 0.500 278 V N 1.084 121.139 119.914 0.235 0.000 2.962 278 V HA 0.374 4.494 4.120 -0.001 0.000 0.313 278 V C -0.506 175.439 176.094 -0.248 0.000 1.099 278 V CA -0.818 61.490 62.300 0.013 0.000 0.971 278 V CB 2.556 34.332 31.823 -0.079 0.000 1.028 278 V HN 0.048 nan 8.190 nan 0.000 0.430 279 L N 3.075 123.965 121.223 -0.554 0.000 2.569 279 L HA 0.637 4.977 4.340 -0.001 0.000 0.247 279 L C -1.123 175.252 176.870 -0.824 0.000 1.135 279 L CA -0.286 54.127 54.840 -0.712 0.000 0.812 279 L CB 1.547 43.142 42.059 -0.774 0.000 1.431 279 L HN 0.699 nan 8.230 nan 0.000 0.499 289 K N 0.024 120.458 120.400 0.057 0.000 2.826 289 K HA 0.425 4.744 4.320 -0.001 0.000 0.292 289 K C 0.702 177.364 176.600 0.103 0.000 0.946 289 K CA -0.724 55.624 56.287 0.101 0.000 0.717 289 K CB 0.610 33.126 32.500 0.026 0.000 1.366 289 K HN 0.274 nan 8.250 nan 0.000 0.357 290 E N 0.316 120.528 120.200 0.019 0.000 2.130 290 E HA -0.180 4.169 4.350 -0.001 0.000 0.196 290 E C 1.567 178.098 176.600 -0.115 0.000 0.998 290 E CA 1.649 57.998 56.400 -0.084 0.000 0.806 290 E CB -0.066 29.599 29.700 -0.058 0.000 0.738 290 E HN 0.400 nan 8.360 nan 0.000 0.459 291 L N 0.324 121.523 121.223 -0.040 0.000 2.046 291 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 291 L C 2.686 179.588 176.870 0.054 0.000 1.077 291 L CA 1.249 56.091 54.840 0.003 0.000 0.747 291 L CB -0.186 41.927 42.059 0.091 0.000 0.896 291 L HN 0.064 nan 8.230 nan 0.000 0.432 292 R N -0.095 120.442 120.500 0.062 0.000 2.091 292 R HA -0.228 4.111 4.340 -0.001 0.000 0.238 292 R C 2.059 178.426 176.300 0.112 0.000 1.136 292 R CA 1.564 57.765 56.100 0.169 0.000 0.959 292 R CB -0.629 29.819 30.300 0.246 0.000 0.856 292 R HN 0.257 nan 8.270 nan 0.000 0.437 293 L N 0.856 121.961 121.223 -0.196 0.000 2.027 293 L HA -0.084 4.255 4.340 -0.001 0.000 0.206 293 L C 1.725 178.519 176.870 -0.128 0.000 1.074 293 L CA 1.897 56.448 54.840 -0.482 0.000 0.745 293 L CB -0.512 40.936 42.059 -1.018 0.000 0.898 293 L HN 0.120 nan 8.230 nan 0.000 0.433 294 K N -0.842 119.488 120.400 -0.117 0.000 2.074 294 K HA -0.262 4.058 4.320 -0.001 0.000 0.209 294 K C 2.114 178.859 176.600 0.242 0.000 1.048 294 K CA 2.086 58.353 56.287 -0.032 0.000 0.926 294 K CB -0.257 32.048 32.500 -0.326 0.000 0.713 294 K HN 0.525 nan 8.250 nan 0.000 0.444 295 Q N 0.457 120.367 119.800 0.182 0.000 2.084 295 Q HA -0.179 4.161 4.340 -0.001 0.000 0.202 295 Q C 1.991 178.187 176.000 0.327 0.000 0.978 295 Q CA 1.403 57.369 55.803 0.272 0.000 0.844 295 Q CB 0.039 28.945 28.738 0.280 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.426 296 E N -0.381 119.978 120.200 0.265 0.000 2.072 296 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 296 E C 1.716 178.461 176.600 0.242 0.000 0.985 296 E CA 0.834 57.386 56.400 0.254 0.000 0.801 296 E CB -0.104 29.742 29.700 0.243 0.000 0.750 296 E HN 0.305 nan 8.360 nan 0.000 0.452 297 Y N 0.438 120.801 120.300 0.105 0.000 2.242 297 Y HA -0.226 4.324 4.550 -0.001 0.000 0.291 297 Y C 1.912 177.866 175.900 0.091 0.000 1.137 297 Y CA 0.968 59.099 58.100 0.051 0.000 1.181 297 Y CB -0.382 38.096 38.460 0.031 0.000 0.989 297 Y HN 0.017 nan 8.280 nan 0.000 0.527 298 F N -0.368 119.562 119.950 -0.034 0.000 2.046 298 F HA -0.245 4.282 4.527 -0.001 0.000 0.297 298 F C 2.571 178.218 175.800 -0.255 0.000 1.123 298 F CA 2.073 59.986 58.000 -0.144 0.000 1.199 298 F CB -1.124 37.929 39.000 0.088 0.000 0.972 298 F HN -0.080 nan 8.300 nan 0.000 0.474 299 V N -0.470 119.419 119.914 -0.042 0.000 2.407 299 V HA -0.212 3.908 4.120 -0.001 0.000 0.248 299 V C 2.170 178.128 176.094 -0.226 0.000 1.055 299 V CA 2.027 64.275 62.300 -0.085 0.000 1.049 299 V CB -0.445 31.523 31.823 0.242 0.000 0.662 299 V HN 0.263 nan 8.190 nan 0.000 0.455 300 V N 0.316 120.115 119.914 -0.191 0.000 2.307 300 V HA -0.134 3.985 4.120 -0.001 0.000 0.245 300 V C 2.805 178.697 176.094 -0.338 0.000 1.045 300 V CA 2.062 64.257 62.300 -0.175 0.000 1.024 300 V CB -0.905 30.904 31.823 -0.024 0.000 0.651 300 V HN 0.653 nan 8.190 nan 0.000 0.449 301 A N -0.277 122.186 122.820 -0.594 0.000 1.898 301 A HA -0.055 4.265 4.320 -0.001 0.000 0.216 301 A C 2.356 179.584 177.584 -0.594 0.000 1.181 301 A CA 1.945 53.620 52.037 -0.604 0.000 0.620 301 A CB -0.664 17.773 19.000 -0.939 0.000 0.819 301 A HN 0.557 nan 8.150 nan 0.000 0.442 302 A N -1.197 121.092 122.820 -0.885 0.000 1.929 302 A HA -0.004 4.315 4.320 -0.001 0.000 0.216 302 A C 2.273 179.391 177.584 -0.777 0.000 1.176 302 A CA 2.074 53.405 52.037 -1.176 0.000 0.628 302 A CB -1.044 16.575 19.000 -2.301 0.000 0.816 302 A HN 0.405 nan 8.150 nan 0.000 0.444 303 T N 0.321 114.563 114.554 -0.521 0.000 2.777 303 T HA -0.079 4.271 4.350 -0.001 0.000 0.266 303 T C 1.721 176.197 174.700 -0.372 0.000 1.040 303 T CA 1.397 63.327 62.100 -0.283 0.000 1.141 303 T CB -0.282 68.414 68.868 -0.286 0.000 0.868 303 T HN 0.195 nan 8.240 nan 0.000 0.444 304 L N 1.400 122.437 121.223 -0.309 0.000 2.083 304 L HA -0.049 4.290 4.340 -0.001 0.000 0.209 304 L C 2.611 179.382 176.870 -0.165 0.000 1.083 304 L CA 1.557 56.260 54.840 -0.229 0.000 0.752 304 L CB -1.009 40.952 42.059 -0.164 0.000 0.899 304 L HN 0.311 nan 8.230 nan 0.000 0.433 305 Q N -0.919 118.784 119.800 -0.162 0.000 2.135 305 Q HA -0.256 4.083 4.340 -0.001 0.000 0.204 305 Q C 1.819 177.809 176.000 -0.016 0.000 0.981 305 Q CA 1.742 57.498 55.803 -0.078 0.000 0.856 305 Q CB -0.154 28.527 28.738 -0.096 0.000 0.902 305 Q HN 0.480 nan 8.270 nan 0.000 0.425 306 D N 0.450 120.838 120.400 -0.021 0.000 2.084 306 D HA -0.094 4.546 4.640 -0.001 0.000 0.196 306 D C 1.761 178.018 176.300 -0.071 0.000 0.985 306 D CA 0.853 54.880 54.000 0.044 0.000 0.826 306 D CB -0.094 40.830 40.800 0.206 0.000 0.978 306 D HN 0.142 nan 8.370 nan 0.000 0.456 307 I N 0.230 120.625 120.570 -0.292 0.000 2.163 307 I HA -0.270 3.899 4.170 -0.001 0.000 0.243 307 I C 2.282 178.416 176.117 0.029 0.000 1.085 307 I CA 0.835 61.891 61.300 -0.406 0.000 1.347 307 I CB -0.196 37.404 38.000 -0.665 0.000 1.044 307 I HN 0.056 nan 8.210 nan 0.000 0.408 308 I N 0.039 120.690 120.570 0.135 0.000 2.202 308 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 308 I C 2.795 179.092 176.117 0.299 0.000 1.091 308 I CA 1.154 62.652 61.300 0.330 0.000 1.368 308 I CB -0.409 37.721 38.000 0.218 0.000 1.058 308 I HN 0.154 nan 8.210 nan 0.000 0.410 309 R N 0.942 121.547 120.500 0.174 0.000 2.094 309 R HA -0.221 4.119 4.340 -0.001 0.000 0.239 309 R C 2.505 178.901 176.300 0.160 0.000 1.137 309 R CA 1.840 58.031 56.100 0.151 0.000 0.943 309 R CB -0.217 30.158 30.300 0.124 0.000 0.850 309 R HN 0.259 nan 8.270 nan 0.000 0.433 310 R N -0.711 119.885 120.500 0.160 0.000 2.081 310 R HA -0.165 4.175 4.340 -0.001 0.000 0.235 310 R C 2.243 178.646 176.300 0.171 0.000 1.131 310 R CA 1.686 57.891 56.100 0.175 0.000 0.960 310 R CB -0.451 29.930 30.300 0.135 0.000 0.856 310 R HN 0.230 nan 8.270 nan 0.000 0.436 311 F N 2.007 122.000 119.950 0.071 0.000 2.065 311 F HA -0.270 4.256 4.527 -0.001 0.000 0.298 311 F C 1.831 177.651 175.800 0.034 0.000 1.112 311 F CA 1.769 59.807 58.000 0.064 0.000 1.212 311 F CB -0.045 39.078 39.000 0.205 0.000 0.975 311 F HN -0.150 nan 8.300 nan 0.000 0.476 312 K N -0.641 119.730 120.400 -0.048 0.000 2.103 312 K HA 0.017 4.336 4.320 -0.001 0.000 0.204 312 K C 0.867 177.397 176.600 -0.118 0.000 1.052 312 K CA 1.134 57.312 56.287 -0.182 0.000 0.945 312 K CB -0.255 32.241 32.500 -0.007 0.000 0.722 312 K HN 0.067 nan 8.250 nan 0.000 0.443 313 S N 1.375 117.075 115.700 -0.001 0.000 3.315 313 S HA 0.074 4.543 4.470 -0.001 0.000 0.195 313 S C 0.713 175.389 174.600 0.127 0.000 1.394 313 S CA -0.471 57.754 58.200 0.042 0.000 0.983 313 S CB 0.598 63.839 63.200 0.069 0.000 1.370 313 S HN 0.265 nan 8.310 nan 0.000 0.491 314 S N 0.752 116.486 115.700 0.056 0.000 2.497 314 S HA 0.191 4.660 4.470 -0.001 0.000 0.218 314 S C 0.672 175.377 174.600 0.175 0.000 1.023 314 S CA -0.328 57.949 58.200 0.129 0.000 0.913 314 S CB -0.139 63.033 63.200 -0.046 0.000 0.800 314 S HN 0.517 nan 8.310 nan 0.000 0.505 315 K N 1.493 121.943 120.400 0.083 0.000 2.472 315 K HA 0.050 4.369 4.320 -0.001 0.000 0.280 315 K C -0.806 175.872 176.600 0.130 0.000 1.028 315 K CA -0.430 55.913 56.287 0.094 0.000 1.045 315 K CB 0.013 32.536 32.500 0.038 0.000 0.902 315 K HN 0.276 nan 8.250 nan 0.000 0.478 316 F N 3.754 123.733 119.950 0.048 0.000 2.578 316 F HA 0.135 4.661 4.527 -0.001 0.000 0.381 316 F C 1.325 177.110 175.800 -0.025 0.000 1.069 316 F CA 1.810 59.826 58.000 0.027 0.000 1.231 316 F CB 0.372 39.394 39.000 0.036 0.000 1.086 316 F HN 0.902 nan 8.300 nan 0.000 0.564 317 G N 3.372 111.833 108.800 -0.564 0.000 2.159 317 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.256 317 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.256 317 G C -0.283 174.502 174.900 -0.191 0.000 0.977 317 G CA -0.085 44.787 45.100 -0.381 0.000 0.652 317 G HN 0.983 nan 8.290 nan 0.000 0.531 318 C N -0.239 118.963 119.300 -0.162 0.000 2.455 318 C HA 0.795 5.255 4.460 -0.001 0.000 0.320 318 C C 1.612 176.541 174.990 -0.101 0.000 1.226 318 C CA -0.461 58.502 59.018 -0.092 0.000 1.569 318 C CB 1.416 29.133 27.740 -0.039 0.000 2.200 318 C HN 0.492 nan 8.230 nan 0.000 0.491 319 R N 1.518 121.976 120.500 -0.070 0.000 2.254 319 R HA 0.101 4.441 4.340 -0.001 0.000 0.195 319 R C -0.052 176.241 176.300 -0.011 0.000 0.957 319 R CA 0.262 56.334 56.100 -0.045 0.000 1.024 319 R CB 0.059 30.343 30.300 -0.027 0.000 0.952 319 R HN 0.758 nan 8.270 nan 0.000 0.484 320 D N 2.198 122.591 120.400 -0.013 0.000 2.414 320 D HA 0.076 4.715 4.640 -0.001 0.000 0.242 320 D C -2.348 173.950 176.300 -0.004 0.000 1.129 320 D CA -1.539 52.459 54.000 -0.003 0.000 0.885 320 D CB 0.943 41.740 40.800 -0.006 0.000 1.198 320 D HN 0.036 nan 8.370 nan 0.000 0.437 321 P HA 0.024 nan 4.420 nan 0.000 0.270 321 P C 0.318 177.597 177.300 -0.034 0.000 1.242 321 P CA 0.002 63.096 63.100 -0.010 0.000 0.768 321 P CB 0.827 32.534 31.700 0.012 0.000 0.820 322 V N 3.966 123.839 119.914 -0.068 0.000 3.013 322 V HA 0.133 4.252 4.120 -0.001 0.000 0.238 322 V C 1.118 177.139 176.094 -0.122 0.000 1.161 322 V CA 0.722 62.978 62.300 -0.075 0.000 1.170 322 V CB -0.022 31.766 31.823 -0.059 0.000 0.917 322 V HN 0.386 nan 8.190 nan 0.000 0.478 323 R N 1.096 121.466 120.500 -0.218 0.000 2.207 323 R HA 0.315 4.654 4.340 -0.001 0.000 0.334 323 R C 0.520 176.619 176.300 -0.336 0.000 1.013 323 R CA 0.630 56.530 56.100 -0.332 0.000 0.858 323 R CB 1.017 30.946 30.300 -0.619 0.000 1.094 323 R HN 0.513 nan 8.270 nan 0.000 0.457 324 T N -0.768 113.663 114.554 -0.205 0.000 3.091 324 T HA 0.083 4.432 4.350 -0.001 0.000 0.277 324 T C 0.147 174.766 174.700 -0.136 0.000 0.996 324 T CA -0.513 61.496 62.100 -0.151 0.000 0.897 324 T CB -0.039 68.810 68.868 -0.033 0.000 1.109 324 T HN 0.381 nan 8.240 nan 0.000 0.534 325 N N 0.331 118.963 118.700 -0.115 0.000 2.408 325 N HA 0.439 5.179 4.740 -0.001 0.000 0.280 325 N C -0.426 175.114 175.510 0.051 0.000 1.002 325 N CA -1.148 51.910 53.050 0.014 0.000 0.907 325 N CB 0.839 39.359 38.487 0.055 0.000 1.161 325 N HN 0.056 nan 8.380 nan 0.000 0.488 326 F N 0.712 120.766 119.950 0.172 0.000 2.765 326 F HA 0.181 4.707 4.527 -0.001 0.000 0.302 326 F C 1.329 177.179 175.800 0.084 0.000 1.111 326 F CA -0.202 57.852 58.000 0.090 0.000 1.359 326 F CB 0.289 39.202 39.000 -0.145 0.000 1.097 326 F HN 0.503 nan 8.300 nan 0.000 0.577 327 D N 0.661 121.195 120.400 0.224 0.000 2.190 327 D HA -0.191 4.448 4.640 -0.001 0.000 0.200 327 D C 2.192 178.584 176.300 0.153 0.000 0.992 327 D CA 1.364 55.456 54.000 0.153 0.000 0.854 327 D CB -0.097 40.770 40.800 0.113 0.000 0.936 327 D HN 0.298 nan 8.370 nan 0.000 0.462 328 A N -0.755 122.194 122.820 0.215 0.000 2.238 328 A HA 0.068 4.388 4.320 -0.001 0.000 0.210 328 A C 1.690 179.403 177.584 0.215 0.000 1.179 328 A CA -0.293 51.877 52.037 0.222 0.000 0.827 328 A CB -0.495 18.660 19.000 0.259 0.000 0.856 328 A HN 0.094 nan 8.150 nan 0.000 0.488 329 F N 1.986 121.873 119.950 -0.105 0.000 2.063 329 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 329 F C -0.795 174.904 175.800 -0.168 0.000 1.109 329 F CA 2.398 60.142 58.000 -0.428 0.000 1.212 329 F CB -0.834 37.932 39.000 -0.390 0.000 0.973 329 F HN 0.194 nan 8.300 nan 0.000 0.480 330 P HA -0.092 nan 4.420 nan 0.000 0.223 330 P C 0.935 178.187 177.300 -0.081 0.000 1.151 330 P CA 1.517 64.572 63.100 -0.075 0.000 0.787 330 P CB -0.062 31.619 31.700 -0.033 0.000 0.788 331 D N -0.652 119.728 120.400 -0.034 0.000 2.277 331 D HA -0.065 4.575 4.640 -0.001 0.000 0.208 331 D C 1.423 177.705 176.300 -0.031 0.000 0.962 331 D CA 1.103 55.093 54.000 -0.016 0.000 0.865 331 D CB 0.115 40.929 40.800 0.024 0.000 0.939 331 D HN 0.111 nan 8.370 nan 0.000 0.510 332 K N -0.447 119.919 120.400 -0.058 0.000 2.402 332 K HA 0.226 4.545 4.320 -0.001 0.000 0.204 332 K C -0.531 175.976 176.600 -0.155 0.000 1.056 332 K CA 0.035 56.296 56.287 -0.043 0.000 1.069 332 K CB 1.688 34.276 32.500 0.147 0.000 0.888 332 K HN -0.157 nan 8.250 nan 0.000 0.546 333 V N 0.130 119.867 119.914 -0.295 0.000 2.932 333 V HA 0.765 4.885 4.120 -0.001 0.000 0.307 333 V C -1.581 174.383 176.094 -0.217 0.000 1.147 333 V CA -1.252 60.847 62.300 -0.335 0.000 0.951 333 V CB 2.028 33.344 31.823 -0.845 0.000 1.031 333 V HN 0.016 nan 8.190 nan 0.000 0.426 334 A N 4.945 127.701 122.820 -0.106 0.000 2.381 334 A HA 0.902 5.222 4.320 -0.001 0.000 0.299 334 A C -1.162 176.431 177.584 0.015 0.000 1.049 334 A CA -0.389 51.621 52.037 -0.044 0.000 0.715 334 A CB 1.089 20.014 19.000 -0.126 0.000 1.222 334 A HN 0.740 nan 8.150 nan 0.000 0.428 335 I N 1.910 122.535 120.570 0.092 0.000 2.355 335 I HA 0.336 4.505 4.170 -0.001 0.000 0.288 335 I C -0.223 175.994 176.117 0.166 0.000 0.999 335 I CA -0.588 60.784 61.300 0.120 0.000 1.163 335 I CB 1.833 39.881 38.000 0.080 0.000 1.316 335 I HN 0.668 nan 8.210 nan 0.000 0.454 336 Q N 6.107 126.010 119.800 0.172 0.000 2.340 336 Q HA 0.443 4.783 4.340 -0.001 0.000 0.259 336 Q C -1.395 174.630 176.000 0.042 0.000 0.964 336 Q CA -0.520 55.415 55.803 0.220 0.000 0.900 336 Q CB 1.226 30.210 28.738 0.409 0.000 1.228 336 Q HN 0.433 nan 8.270 nan 0.000 0.449 337 L N 4.166 125.457 121.223 0.113 0.000 2.259 337 L HA 0.341 4.680 4.340 -0.001 0.000 0.288 337 L C -0.228 176.721 176.870 0.131 0.000 1.051 337 L CA -0.287 54.618 54.840 0.108 0.000 0.824 337 L CB 0.504 42.670 42.059 0.180 0.000 1.206 337 L HN 0.572 nan 8.230 nan 0.000 0.429 338 N N 4.161 122.861 118.700 -0.000 0.000 2.421 338 N HA 0.101 4.841 4.740 -0.001 0.000 0.260 338 N C -0.138 175.487 175.510 0.192 0.000 1.173 338 N CA 0.544 53.665 53.050 0.118 0.000 0.960 338 N CB -0.101 38.371 38.487 -0.025 0.000 1.273 338 N HN 0.527 nan 8.380 nan 0.000 0.497 339 D N -0.433 120.162 120.400 0.325 0.000 6.122 339 D HA -0.217 4.422 4.640 -0.001 0.000 0.318 339 D C 0.588 177.005 176.300 0.194 0.000 2.527 339 D CA 1.389 55.552 54.000 0.272 0.000 1.441 339 D CB -0.348 40.442 40.800 -0.016 0.000 1.140 339 D HN 0.525 nan 8.370 nan 0.000 1.272 340 T N -2.325 112.233 114.554 0.007 0.000 3.085 340 T HA -0.030 4.320 4.350 -0.001 0.000 0.263 340 T C 1.654 176.372 174.700 0.031 0.000 1.127 340 T CA 1.911 63.988 62.100 -0.039 0.000 1.103 340 T CB -0.437 68.402 68.868 -0.048 0.000 0.921 340 T HN 0.514 nan 8.240 nan 0.000 0.510 341 H N 2.754 121.932 119.070 0.180 0.000 2.353 341 H HA -0.001 4.555 4.556 -0.001 0.000 0.298 341 H C -0.715 174.724 175.328 0.186 0.000 1.103 341 H CA 1.421 57.590 56.048 0.202 0.000 1.293 341 H CB -1.054 28.823 29.762 0.191 0.000 1.372 341 H HN 0.448 nan 8.280 nan 0.000 0.501 342 P HA 0.045 nan 4.420 nan 0.000 0.256 342 P C 0.816 178.188 177.300 0.120 0.000 1.384 342 P CA 0.559 63.768 63.100 0.181 0.000 0.879 342 P CB 0.234 32.029 31.700 0.157 0.000 1.403 343 S N 0.025 115.785 115.700 0.101 0.000 2.420 343 S HA -0.158 4.311 4.470 -0.001 0.000 0.237 343 S C 1.804 176.434 174.600 0.050 0.000 1.023 343 S CA 0.881 59.100 58.200 0.032 0.000 0.991 343 S CB -1.618 61.579 63.200 -0.006 0.000 0.792 343 S HN 0.152 nan 8.310 nan 0.000 0.488 344 L N 1.069 122.344 121.223 0.086 0.000 2.450 344 L HA -0.022 4.317 4.340 -0.001 0.000 0.224 344 L C 2.960 179.893 176.870 0.106 0.000 1.149 344 L CA 0.625 55.516 54.840 0.086 0.000 0.816 344 L CB -0.842 41.271 42.059 0.089 0.000 0.932 344 L HN 0.467 nan 8.230 nan 0.000 0.449 345 A N 0.861 123.726 122.820 0.076 0.000 1.892 345 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 345 A C 2.186 179.788 177.584 0.031 0.000 1.188 345 A CA 1.872 53.936 52.037 0.045 0.000 0.631 345 A CB -0.610 18.406 19.000 0.027 0.000 0.822 345 A HN 0.364 nan 8.150 nan 0.000 0.447 346 I N 0.013 120.600 120.570 0.029 0.000 2.099 346 I HA -0.202 3.967 4.170 -0.001 0.000 0.239 346 I C -0.523 175.622 176.117 0.046 0.000 1.066 346 I CA 1.878 63.193 61.300 0.025 0.000 1.324 346 I CB -1.086 36.938 38.000 0.040 0.000 1.037 346 I HN 0.250 nan 8.210 nan 0.000 0.401 347 P HA -0.150 nan 4.420 nan 0.000 0.219 347 P C 1.332 178.642 177.300 0.017 0.000 1.150 347 P CA 1.227 64.362 63.100 0.058 0.000 0.814 347 P CB 0.054 31.822 31.700 0.112 0.000 0.787 348 E N 0.046 120.326 120.200 0.135 0.000 2.047 348 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 348 E C 1.841 178.428 176.600 -0.021 0.000 0.987 348 E CA 0.840 57.340 56.400 0.166 0.000 0.799 348 E CB -1.284 28.601 29.700 0.309 0.000 0.752 348 E HN -0.029 nan 8.360 nan 0.000 0.449 349 L N -0.002 121.184 121.223 -0.061 0.000 2.042 349 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 349 L C 2.137 178.867 176.870 -0.234 0.000 1.076 349 L CA 1.827 56.568 54.840 -0.165 0.000 0.749 349 L CB -0.566 41.403 42.059 -0.150 0.000 0.893 349 L HN 0.250 nan 8.230 nan 0.000 0.432 350 M N -0.798 118.686 119.600 -0.193 0.000 2.080 350 M HA -0.238 4.242 4.480 -0.001 0.000 0.260 350 M C 2.452 178.600 176.300 -0.255 0.000 1.068 350 M CA 1.689 56.833 55.300 -0.259 0.000 1.109 350 M CB -1.315 31.151 32.600 -0.222 0.000 1.342 350 M HN 0.337 nan 8.290 nan 0.000 0.405 351 R N 0.020 120.386 120.500 -0.224 0.000 2.083 351 R HA -0.133 4.206 4.340 -0.001 0.000 0.237 351 R C 2.055 178.247 176.300 -0.180 0.000 1.137 351 R CA 1.750 57.712 56.100 -0.230 0.000 0.951 351 R CB -0.212 29.883 30.300 -0.342 0.000 0.851 351 R HN 0.233 nan 8.270 nan 0.000 0.434 352 V N 1.432 121.240 119.914 -0.177 0.000 2.343 352 V HA -0.257 3.862 4.120 -0.001 0.000 0.247 352 V C 2.391 178.325 176.094 -0.267 0.000 1.051 352 V CA 1.713 63.902 62.300 -0.184 0.000 1.036 352 V CB -0.408 31.299 31.823 -0.193 0.000 0.654 352 V HN 0.339 nan 8.190 nan 0.000 0.451 353 L N -0.826 120.180 121.223 -0.362 0.000 2.044 353 L HA -0.079 4.260 4.340 -0.001 0.000 0.205 353 L C 2.424 179.124 176.870 -0.283 0.000 1.075 353 L CA 0.940 55.511 54.840 -0.448 0.000 0.747 353 L CB -0.519 41.213 42.059 -0.545 0.000 0.903 353 L HN 0.178 nan 8.230 nan 0.000 0.435 354 V N -0.314 119.462 119.914 -0.230 0.000 2.302 354 V HA -0.209 3.910 4.120 -0.001 0.000 0.243 354 V C 1.999 178.052 176.094 -0.068 0.000 1.036 354 V CA 1.793 64.016 62.300 -0.128 0.000 1.020 354 V CB -0.349 31.416 31.823 -0.096 0.000 0.657 354 V HN 0.374 nan 8.190 nan 0.000 0.453 355 D N -0.320 120.034 120.400 -0.077 0.000 2.137 355 D HA -0.049 4.591 4.640 -0.001 0.000 0.202 355 D C 1.892 178.170 176.300 -0.037 0.000 0.970 355 D CA 0.909 54.884 54.000 -0.042 0.000 0.837 355 D CB -0.016 40.754 40.800 -0.049 0.000 0.981 355 D HN 0.196 nan 8.370 nan 0.000 0.475 356 L N 0.701 121.888 121.223 -0.060 0.000 2.145 356 L HA 0.058 4.398 4.340 -0.001 0.000 0.201 356 L C 1.882 178.731 176.870 -0.035 0.000 1.075 356 L CA 1.289 56.105 54.840 -0.041 0.000 0.773 356 L CB -0.440 41.592 42.059 -0.045 0.000 0.936 356 L HN -0.089 nan 8.230 nan 0.000 0.451 357 E N -0.490 119.663 120.200 -0.078 0.000 2.474 357 E HA 0.019 4.368 4.350 -0.001 0.000 0.194 357 E C 0.457 177.045 176.600 -0.021 0.000 1.041 357 E CA -0.083 56.289 56.400 -0.047 0.000 0.874 357 E CB 0.374 29.988 29.700 -0.144 0.000 0.914 357 E HN 0.102 nan 8.360 nan 0.000 0.498 358 R N -0.573 119.909 120.500 -0.030 0.000 3.994 358 R HA -0.150 4.190 4.340 -0.001 0.000 0.403 358 R C 0.084 176.384 176.300 -0.000 0.000 1.126 358 R CA 0.369 56.468 56.100 -0.002 0.000 1.143 358 R CB -2.239 28.073 30.300 0.020 0.000 1.695 358 R HN 0.166 nan 8.270 nan 0.000 0.555 359 L N 1.984 123.185 121.223 -0.036 0.000 2.514 359 L HA 0.006 4.345 4.340 -0.001 0.000 0.280 359 L C 1.051 177.917 176.870 -0.006 0.000 1.223 359 L CA 0.739 55.561 54.840 -0.030 0.000 0.864 359 L CB 0.030 42.029 42.059 -0.101 0.000 1.118 359 L HN 0.269 nan 8.230 nan 0.000 0.494 360 D N 0.666 121.087 120.400 0.035 0.000 2.362 360 D HA -0.094 4.546 4.640 -0.001 0.000 0.242 360 D C 0.784 177.151 176.300 0.112 0.000 1.132 360 D CA -0.361 53.693 54.000 0.090 0.000 0.907 360 D CB 0.699 41.557 40.800 0.097 0.000 1.195 360 D HN 0.454 nan 8.370 nan 0.000 0.429 361 W N 1.064 122.370 121.300 0.011 0.000 2.318 361 W HA -0.201 4.459 4.660 -0.001 0.000 0.313 361 W C 1.636 178.200 176.519 0.075 0.000 1.221 361 W CA 1.828 59.185 57.345 0.020 0.000 1.266 361 W CB -0.080 29.374 29.460 -0.010 0.000 1.150 361 W HN 0.511 nan 8.180 nan 0.000 0.496 362 D N -0.440 120.161 120.400 0.335 0.000 2.144 362 D HA -0.176 4.463 4.640 -0.001 0.000 0.200 362 D C 1.847 178.254 176.300 0.179 0.000 0.978 362 D CA 1.453 55.628 54.000 0.291 0.000 0.833 362 D CB -0.434 40.507 40.800 0.236 0.000 0.961 362 D HN 0.103 nan 8.370 nan 0.000 0.470 363 K N 1.600 122.062 120.400 0.102 0.000 2.025 363 K HA -0.039 4.280 4.320 -0.001 0.000 0.207 363 K C 1.947 178.535 176.600 -0.019 0.000 1.049 363 K CA 1.478 57.794 56.287 0.048 0.000 0.933 363 K CB -0.552 31.973 32.500 0.042 0.000 0.714 363 K HN -0.014 nan 8.250 nan 0.000 0.438 364 A N 0.539 123.302 122.820 -0.095 0.000 1.940 364 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 364 A C 2.219 179.693 177.584 -0.183 0.000 1.176 364 A CA 1.582 53.487 52.037 -0.220 0.000 0.631 364 A CB -1.110 17.682 19.000 -0.347 0.000 0.814 364 A HN 0.727 nan 8.150 nan 0.000 0.446 365 W N 0.473 121.571 121.300 -0.337 0.000 2.409 365 W HA -0.099 4.560 4.660 -0.001 0.000 0.299 365 W C 1.889 178.346 176.519 -0.102 0.000 1.203 365 W CA 1.476 58.657 57.345 -0.272 0.000 1.298 365 W CB -0.180 29.145 29.460 -0.225 0.000 1.127 365 W HN 0.585 nan 8.180 nan 0.000 0.528 366 E N 0.341 120.521 120.200 -0.033 0.000 2.070 366 E HA -0.240 4.109 4.350 -0.001 0.000 0.197 366 E C 2.018 178.532 176.600 -0.142 0.000 1.004 366 E CA 2.081 58.428 56.400 -0.089 0.000 0.805 366 E CB -0.266 29.445 29.700 0.019 0.000 0.744 366 E HN 0.071 nan 8.360 nan 0.000 0.451 367 V N 0.568 120.415 119.914 -0.112 0.000 2.515 367 V HA -0.224 3.895 4.120 -0.001 0.000 0.250 367 V C 2.295 178.320 176.094 -0.115 0.000 1.058 367 V CA 2.047 64.301 62.300 -0.077 0.000 1.064 367 V CB -0.573 31.201 31.823 -0.082 0.000 0.675 367 V HN 0.358 nan 8.190 nan 0.000 0.461 368 T N 0.001 114.411 114.554 -0.241 0.000 2.698 368 T HA -0.129 4.220 4.350 -0.001 0.000 0.260 368 T C 1.985 176.494 174.700 -0.318 0.000 1.044 368 T CA 1.638 63.572 62.100 -0.276 0.000 1.149 368 T CB -0.217 68.449 68.868 -0.337 0.000 0.864 368 T HN 0.275 nan 8.240 nan 0.000 0.419 369 V N 1.713 121.296 119.914 -0.553 0.000 2.392 369 V HA -0.181 3.939 4.120 -0.001 0.000 0.249 369 V C 2.455 178.485 176.094 -0.107 0.000 1.059 369 V CA 1.540 63.599 62.300 -0.402 0.000 1.051 369 V CB -0.541 30.971 31.823 -0.518 0.000 0.658 369 V HN 0.437 nan 8.190 nan 0.000 0.455 370 K N -0.449 119.864 120.400 -0.144 0.000 2.211 370 K HA -0.111 4.209 4.320 -0.001 0.000 0.203 370 K C 2.158 178.691 176.600 -0.112 0.000 1.050 370 K CA 1.674 57.871 56.287 -0.151 0.000 0.945 370 K CB -0.168 32.256 32.500 -0.127 0.000 0.732 370 K HN 0.507 nan 8.250 nan 0.000 0.451 371 T N 0.130 114.682 114.554 -0.004 0.000 2.976 371 T HA 0.023 4.373 4.350 -0.001 0.000 0.257 371 T C 0.977 175.764 174.700 0.145 0.000 1.051 371 T CA 0.339 62.469 62.100 0.050 0.000 1.141 371 T CB 0.136 69.061 68.868 0.095 0.000 0.881 371 T HN 0.142 nan 8.240 nan 0.000 0.461 372 C N 2.177 121.564 119.300 0.144 0.000 2.370 372 C HA 0.891 5.351 4.460 -0.001 0.000 0.354 372 C C 0.507 175.584 174.990 0.145 0.000 1.218 372 C CA -1.091 58.003 59.018 0.128 0.000 2.154 372 C CB 0.289 28.044 27.740 0.024 0.000 2.391 372 C HN 0.598 nan 8.230 nan 0.000 0.540 373 A N 1.713 124.605 122.820 0.119 0.000 2.520 373 A HA 0.692 5.011 4.320 -0.001 0.000 0.298 373 A C -1.705 175.968 177.584 0.148 0.000 1.051 373 A CA -0.360 51.692 52.037 0.024 0.000 0.690 373 A CB 1.032 20.035 19.000 0.006 0.000 1.281 373 A HN 0.899 nan 8.150 nan 0.000 0.402 374 Y N 1.366 121.625 120.300 -0.067 0.000 2.331 374 Y HA 0.666 5.216 4.550 -0.001 0.000 0.334 374 Y C -0.488 175.410 175.900 -0.004 0.000 0.960 374 Y CA -0.592 57.486 58.100 -0.036 0.000 1.130 374 Y CB 1.860 40.255 38.460 -0.108 0.000 1.164 374 Y HN 0.542 nan 8.280 nan 0.000 0.458 375 T N 7.183 121.614 114.554 -0.205 0.000 2.749 375 T HA 0.212 4.561 4.350 -0.001 0.000 0.287 375 T C -0.606 173.795 174.700 -0.498 0.000 0.970 375 T CA -0.691 61.235 62.100 -0.290 0.000 0.980 375 T CB 0.124 69.052 68.868 0.099 0.000 0.924 375 T HN 0.639 nan 8.240 nan 0.000 0.456 376 N N 1.856 120.202 118.700 -0.590 0.000 2.438 376 N HA 0.124 4.863 4.740 -0.001 0.000 0.282 376 N C 0.080 175.524 175.510 -0.109 0.000 1.037 376 N CA -0.324 52.575 53.050 -0.252 0.000 0.942 376 N CB 0.755 39.179 38.487 -0.105 0.000 1.136 376 N HN 0.667 nan 8.380 nan 0.000 0.481 377 H N 0.993 120.129 119.070 0.111 0.000 2.592 377 H HA 0.117 4.672 4.556 -0.001 0.000 0.279 377 H C -0.059 175.233 175.328 -0.060 0.000 1.089 377 H CA -0.080 55.983 56.048 0.025 0.000 1.150 377 H CB 0.722 30.499 29.762 0.024 0.000 1.575 377 H HN 0.554 nan 8.280 nan 0.000 0.547 378 T N -2.427 112.206 114.554 0.133 0.000 2.885 378 T HA 0.357 4.707 4.350 -0.001 0.000 0.285 378 T C 0.552 175.304 174.700 0.087 0.000 1.019 378 T CA -0.662 61.480 62.100 0.069 0.000 1.010 378 T CB 2.630 71.558 68.868 0.101 0.000 1.022 378 T HN -0.050 nan 8.240 nan 0.000 0.466 379 V N 1.841 121.739 119.914 -0.026 0.000 3.477 379 V HA 0.469 4.589 4.120 -0.001 0.000 0.297 379 V C -0.536 175.523 176.094 -0.058 0.000 1.433 379 V CA -0.085 62.205 62.300 -0.016 0.000 1.052 379 V CB -0.420 31.352 31.823 -0.086 0.000 0.895 379 V HN 0.797 nan 8.190 nan 0.000 0.438 380 L N 0.865 122.047 121.223 -0.068 0.000 2.385 380 L HA 0.478 4.818 4.340 -0.001 0.000 0.273 380 L C -1.806 175.031 176.870 -0.057 0.000 0.990 380 L CA -1.647 53.151 54.840 -0.070 0.000 0.821 380 L CB 2.071 44.085 42.059 -0.075 0.000 1.279 380 L HN -0.100 nan 8.230 nan 0.000 0.412 381 P HA -0.148 nan 4.420 nan 0.000 0.229 381 P C 0.246 177.535 177.300 -0.018 0.000 1.147 381 P CA 1.135 64.210 63.100 -0.042 0.000 0.766 381 P CB 0.299 31.978 31.700 -0.035 0.000 0.775 382 E N -2.053 118.134 120.200 -0.022 0.000 2.485 382 E HA 0.221 4.570 4.350 -0.001 0.000 0.213 382 E C 1.819 178.408 176.600 -0.019 0.000 0.923 382 E CA 0.177 56.565 56.400 -0.020 0.000 1.054 382 E CB -0.443 29.247 29.700 -0.018 0.000 1.077 382 E HN 0.031 nan 8.360 nan 0.000 0.509 383 A N 0.830 123.641 122.820 -0.015 0.000 2.121 383 A HA 0.003 4.323 4.320 -0.001 0.000 0.218 383 A C 0.679 178.269 177.584 0.009 0.000 1.154 383 A CA 0.291 52.326 52.037 -0.003 0.000 0.679 383 A CB -0.273 18.723 19.000 -0.007 0.000 0.795 383 A HN 0.097 nan 8.150 nan 0.000 0.458 384 L N 0.815 122.046 121.223 0.013 0.000 2.490 384 L HA 0.103 4.442 4.340 -0.001 0.000 0.274 384 L C 0.682 177.525 176.870 -0.046 0.000 1.201 384 L CA 0.339 55.193 54.840 0.023 0.000 0.869 384 L CB -0.039 42.052 42.059 0.054 0.000 1.123 384 L HN 0.396 nan 8.230 nan 0.000 0.484 385 E N 4.226 124.389 120.200 -0.063 0.000 2.259 385 E HA 0.308 4.657 4.350 -0.001 0.000 0.281 385 E C -0.693 175.771 176.600 -0.227 0.000 1.037 385 E CA -0.374 55.920 56.400 -0.178 0.000 0.854 385 E CB 0.494 30.128 29.700 -0.110 0.000 1.051 385 E HN 0.416 nan 8.360 nan 0.000 0.409 386 R N 3.880 124.159 120.500 -0.369 0.000 2.628 386 R HA 0.402 4.741 4.340 -0.001 0.000 0.288 386 R C -1.406 174.653 176.300 -0.401 0.000 0.980 386 R CA -0.702 55.242 56.100 -0.260 0.000 0.891 386 R CB 1.476 31.688 30.300 -0.147 0.000 1.188 386 R HN 0.474 nan 8.270 nan 0.000 0.450 387 W N 2.789 124.096 121.300 0.012 0.000 2.656 387 W HA 0.378 5.037 4.660 -0.001 0.000 0.327 387 W C -2.210 174.325 176.519 0.027 0.000 1.041 387 W CA -2.369 54.985 57.345 0.014 0.000 1.229 387 W CB 1.712 31.170 29.460 -0.003 0.000 1.397 387 W HN 0.296 nan 8.180 nan 0.000 0.479 388 P HA -0.106 nan 4.420 nan 0.000 0.264 388 P C 0.842 178.278 177.300 0.226 0.000 1.193 388 P CA 0.256 63.513 63.100 0.262 0.000 0.763 388 P CB 0.805 32.708 31.700 0.339 0.000 0.810 389 V N 2.886 122.918 119.914 0.196 0.000 2.515 389 V HA -0.255 3.864 4.120 -0.001 0.000 0.250 389 V C 1.894 178.063 176.094 0.124 0.000 1.058 389 V CA 2.209 64.591 62.300 0.137 0.000 1.064 389 V CB -1.845 30.078 31.823 0.166 0.000 0.675 389 V HN 0.695 nan 8.190 nan 0.000 0.461 390 H N -0.611 118.503 119.070 0.073 0.000 2.462 390 H HA 0.033 4.588 4.556 -0.001 0.000 0.292 390 H C 2.049 177.408 175.328 0.051 0.000 1.049 390 H CA 1.734 57.821 56.048 0.064 0.000 1.334 390 H CB -0.197 29.606 29.762 0.068 0.000 1.404 390 H HN 0.456 nan 8.280 nan 0.000 0.544 391 L N -0.056 120.861 121.223 -0.509 0.000 2.044 391 L HA -0.116 4.224 4.340 -0.001 0.000 0.205 391 L C 1.910 178.632 176.870 -0.248 0.000 1.075 391 L CA 0.631 55.210 54.840 -0.435 0.000 0.747 391 L CB -0.179 41.760 42.059 -0.200 0.000 0.903 391 L HN 0.356 nan 8.230 nan 0.000 0.435 392 L N 0.081 121.202 121.223 -0.169 0.000 2.079 392 L HA -0.274 4.065 4.340 -0.001 0.000 0.210 392 L C 2.433 179.212 176.870 -0.152 0.000 1.081 392 L CA 1.751 56.479 54.840 -0.185 0.000 0.752 392 L CB -1.256 40.712 42.059 -0.152 0.000 0.896 392 L HN 0.437 nan 8.230 nan 0.000 0.433 393 E N -0.921 119.222 120.200 -0.095 0.000 2.077 393 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 393 E C 1.915 178.506 176.600 -0.015 0.000 0.989 393 E CA 1.877 58.254 56.400 -0.039 0.000 0.800 393 E CB 0.245 29.964 29.700 0.032 0.000 0.746 393 E HN 0.416 nan 8.360 nan 0.000 0.452 394 T N 0.727 115.263 114.554 -0.030 0.000 2.770 394 T HA -0.089 4.260 4.350 -0.001 0.000 0.258 394 T C 1.747 176.477 174.700 0.051 0.000 1.039 394 T CA 0.877 63.011 62.100 0.056 0.000 1.143 394 T CB -0.135 68.767 68.868 0.058 0.000 0.866 394 T HN 0.083 nan 8.240 nan 0.000 0.428 395 L N -0.207 120.940 121.223 -0.126 0.000 2.209 395 L HA 0.285 4.624 4.340 -0.001 0.000 0.207 395 L C -0.088 176.717 176.870 -0.108 0.000 1.094 395 L CA 1.180 55.836 54.840 -0.307 0.000 0.790 395 L CB 0.239 42.070 42.059 -0.379 0.000 0.932 395 L HN 0.109 nan 8.230 nan 0.000 0.447 396 L N 0.593 121.725 121.223 -0.152 0.000 2.511 396 L HA 0.352 4.691 4.340 -0.001 0.000 0.252 396 L C -1.804 174.904 176.870 -0.271 0.000 1.542 396 L CA -1.165 53.522 54.840 -0.256 0.000 0.822 396 L CB 0.756 42.515 42.059 -0.499 0.000 1.050 396 L HN -0.077 nan 8.230 nan 0.000 0.516 397 P HA -0.165 nan 4.420 nan 0.000 0.216 397 P C 1.541 178.647 177.300 -0.324 0.000 1.153 397 P CA 0.988 63.968 63.100 -0.201 0.000 0.848 397 P CB 0.524 32.184 31.700 -0.068 0.000 0.787 398 R N -0.520 119.616 120.500 -0.607 0.000 2.115 398 R HA -0.112 4.228 4.340 -0.001 0.000 0.230 398 R C 2.518 178.514 176.300 -0.506 0.000 1.111 398 R CA 1.343 57.090 56.100 -0.589 0.000 0.976 398 R CB -1.186 28.608 30.300 -0.843 0.000 0.870 398 R HN 0.274 nan 8.270 nan 0.000 0.445 399 H N -0.062 118.688 119.070 -0.534 0.000 2.423 399 H HA -0.108 4.448 4.556 -0.001 0.000 0.297 399 H C 1.879 177.022 175.328 -0.307 0.000 1.075 399 H CA 1.452 57.264 56.048 -0.394 0.000 1.342 399 H CB 0.029 29.514 29.762 -0.461 0.000 1.395 399 H HN 0.207 nan 8.280 nan 0.000 0.530 400 L N 1.175 122.262 121.223 -0.227 0.000 1.994 400 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 400 L C 2.123 178.752 176.870 -0.402 0.000 1.071 400 L CA 1.530 56.158 54.840 -0.353 0.000 0.745 400 L CB -0.430 41.442 42.059 -0.312 0.000 0.892 400 L HN 0.298 nan 8.230 nan 0.000 0.431 401 Q N -0.217 119.461 119.800 -0.203 0.000 2.077 401 Q HA -0.255 4.084 4.340 -0.001 0.000 0.206 401 Q C 2.190 178.186 176.000 -0.008 0.000 0.989 401 Q CA 2.074 57.856 55.803 -0.034 0.000 0.853 401 Q CB -0.150 28.586 28.738 -0.004 0.000 0.907 401 Q HN 0.555 nan 8.270 nan 0.000 0.418 402 I N 0.227 120.767 120.570 -0.050 0.000 2.226 402 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 402 I C 2.093 178.252 176.117 0.070 0.000 1.100 402 I CA 1.106 62.438 61.300 0.054 0.000 1.374 402 I CB -0.157 37.830 38.000 -0.021 0.000 1.057 402 I HN 0.219 nan 8.210 nan 0.000 0.413 403 I N -0.573 119.971 120.570 -0.043 0.000 2.286 403 I HA -0.313 3.856 4.170 -0.001 0.000 0.248 403 I C 2.317 178.453 176.117 0.032 0.000 1.115 403 I CA 1.322 62.600 61.300 -0.036 0.000 1.392 403 I CB -0.357 37.568 38.000 -0.124 0.000 1.065 403 I HN 0.180 nan 8.210 nan 0.000 0.418 404 Y N 0.720 121.029 120.300 0.016 0.000 2.200 404 Y HA -0.235 4.314 4.550 -0.001 0.000 0.290 404 Y C 2.594 178.466 175.900 -0.047 0.000 1.137 404 Y CA 1.245 59.342 58.100 -0.006 0.000 1.163 404 Y CB -0.787 37.663 38.460 -0.017 0.000 0.988 404 Y HN 0.157 nan 8.280 nan 0.000 0.518 405 E N 0.504 120.754 120.200 0.083 0.000 2.047 405 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 405 E C 2.124 178.632 176.600 -0.155 0.000 0.987 405 E CA 1.245 57.558 56.400 -0.144 0.000 0.799 405 E CB -0.583 28.934 29.700 -0.304 0.000 0.752 405 E HN 0.455 nan 8.360 nan 0.000 0.449 406 I N 0.795 121.395 120.570 0.050 0.000 2.151 406 I HA -0.352 3.818 4.170 -0.001 0.000 0.243 406 I C 2.305 178.428 176.117 0.010 0.000 1.080 406 I CA 1.656 62.958 61.300 0.003 0.000 1.339 406 I CB -0.435 37.585 38.000 0.033 0.000 1.039 406 I HN 0.225 nan 8.210 nan 0.000 0.409 407 N N 0.469 119.223 118.700 0.090 0.000 2.084 407 N HA -0.257 4.483 4.740 -0.001 0.000 0.190 407 N C 1.909 177.504 175.510 0.141 0.000 1.030 407 N CA 1.515 54.665 53.050 0.166 0.000 0.849 407 N CB -0.154 38.454 38.487 0.202 0.000 1.012 407 N HN 0.284 nan 8.380 nan 0.000 0.423 408 Q N -0.030 119.796 119.800 0.045 0.000 2.061 408 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 408 Q C 1.915 177.896 176.000 -0.031 0.000 0.984 408 Q CA 1.400 57.194 55.803 -0.015 0.000 0.846 408 Q CB 0.010 28.700 28.738 -0.081 0.000 0.902 408 Q HN 0.459 nan 8.270 nan 0.000 0.421 409 R N -0.750 119.705 120.500 -0.075 0.000 2.115 409 R HA -0.103 4.237 4.340 -0.001 0.000 0.226 409 R C 2.163 178.477 176.300 0.023 0.000 1.100 409 R CA 0.970 57.020 56.100 -0.084 0.000 0.980 409 R CB -0.389 29.795 30.300 -0.192 0.000 0.875 409 R HN 0.264 nan 8.270 nan 0.000 0.445 410 F N 1.743 121.661 119.950 -0.054 0.000 2.186 410 F HA -0.071 4.455 4.527 -0.001 0.000 0.299 410 F C 1.831 177.657 175.800 0.043 0.000 1.090 410 F CA 1.238 59.261 58.000 0.037 0.000 1.307 410 F CB -0.064 38.993 39.000 0.095 0.000 1.019 410 F HN -0.135 nan 8.300 nan 0.000 0.489 411 L N -0.210 121.017 121.223 0.007 0.000 2.240 411 L HA -0.134 4.205 4.340 -0.001 0.000 0.211 411 L C 1.868 178.678 176.870 -0.100 0.000 1.106 411 L CA 1.126 55.918 54.840 -0.080 0.000 0.793 411 L CB -0.835 41.240 42.059 0.028 0.000 0.927 411 L HN 0.177 nan 8.230 nan 0.000 0.446 412 N N 0.122 118.776 118.700 -0.076 0.000 2.120 412 N HA -0.156 4.584 4.740 -0.001 0.000 0.188 412 N C 1.895 177.350 175.510 -0.091 0.000 1.024 412 N CA 0.943 53.950 53.050 -0.072 0.000 0.852 412 N CB -0.013 38.438 38.487 -0.060 0.000 1.003 412 N HN 0.258 nan 8.380 nan 0.000 0.424 413 R N 0.461 120.889 120.500 -0.120 0.000 2.081 413 R HA -0.063 4.276 4.340 -0.001 0.000 0.235 413 R C 2.130 178.321 176.300 -0.181 0.000 1.131 413 R CA 1.026 57.044 56.100 -0.136 0.000 0.960 413 R CB -0.498 29.723 30.300 -0.132 0.000 0.856 413 R HN 0.095 nan 8.270 nan 0.000 0.436 414 V N 1.130 120.893 119.914 -0.252 0.000 2.343 414 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 414 V C 2.466 178.560 176.094 -0.000 0.000 1.051 414 V CA 1.971 64.193 62.300 -0.130 0.000 1.036 414 V CB -0.802 30.891 31.823 -0.217 0.000 0.654 414 V HN 0.413 nan 8.190 nan 0.000 0.451 415 A N 0.079 122.873 122.820 -0.044 0.000 1.933 415 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 415 A C 2.433 179.994 177.584 -0.039 0.000 1.175 415 A CA 2.048 54.074 52.037 -0.018 0.000 0.628 415 A CB -0.749 18.233 19.000 -0.031 0.000 0.814 415 A HN 0.568 nan 8.150 nan 0.000 0.444 416 A N -0.201 122.573 122.820 -0.077 0.000 1.902 416 A HA 0.170 4.489 4.320 -0.001 0.000 0.217 416 A C 2.493 179.984 177.584 -0.155 0.000 1.181 416 A CA 2.133 54.113 52.037 -0.095 0.000 0.623 416 A CB -0.943 18.004 19.000 -0.088 0.000 0.818 416 A HN 1.009 nan 8.150 nan 0.000 0.443 417 A N -1.287 121.377 122.820 -0.260 0.000 1.897 417 A HA 0.287 4.607 4.320 -0.001 0.000 0.215 417 A C 0.495 177.693 177.584 -0.642 0.000 1.181 417 A CA 0.659 52.379 52.037 -0.530 0.000 0.620 417 A CB -0.286 18.228 19.000 -0.809 0.000 0.821 417 A HN 0.445 nan 8.150 nan 0.000 0.443 418 F N 0.452 120.360 119.950 -0.069 0.000 2.453 418 F HA 0.392 4.919 4.527 -0.001 0.000 0.358 418 F C -2.782 172.985 175.800 -0.055 0.000 1.129 418 F CA -3.051 54.913 58.000 -0.060 0.000 1.200 418 F CB 0.891 39.848 39.000 -0.071 0.000 1.431 418 F HN -0.040 nan 8.300 nan 0.000 0.503 419 P HA 0.309 nan 4.420 nan 0.000 0.281 419 P C 0.950 178.273 177.300 0.039 0.000 1.252 419 P CA 0.324 63.443 63.100 0.032 0.000 0.778 419 P CB 1.428 33.128 31.700 -0.000 0.000 0.895 420 G N 2.453 111.268 108.800 0.025 0.000 2.267 420 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.257 420 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.257 420 G C 0.373 175.282 174.900 0.015 0.000 0.998 420 G CA 0.011 45.120 45.100 0.016 0.000 0.620 420 G HN 0.604 nan 8.290 nan 0.000 0.529 421 D N 1.496 121.913 120.400 0.029 0.000 2.489 421 D HA 0.368 5.007 4.640 -0.001 0.000 0.237 421 D C 1.848 178.139 176.300 -0.015 0.000 1.212 421 D CA 0.418 54.420 54.000 0.002 0.000 1.058 421 D CB 0.429 41.225 40.800 -0.006 0.000 1.098 421 D HN 0.154 nan 8.370 nan 0.000 0.509 422 V N 2.739 122.645 119.914 -0.013 0.000 2.407 422 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 422 V C 2.068 178.152 176.094 -0.017 0.000 1.055 422 V CA 1.328 63.621 62.300 -0.012 0.000 1.049 422 V CB -0.167 31.652 31.823 -0.008 0.000 0.662 422 V HN 0.493 nan 8.190 nan 0.000 0.455 423 D N -0.409 119.976 120.400 -0.026 0.000 2.234 423 D HA -0.112 4.528 4.640 -0.001 0.000 0.205 423 D C 2.326 178.600 176.300 -0.043 0.000 0.962 423 D CA 0.779 54.764 54.000 -0.025 0.000 0.855 423 D CB 0.204 40.990 40.800 -0.024 0.000 0.951 423 D HN 0.361 nan 8.370 nan 0.000 0.500 424 R N 0.532 120.983 120.500 -0.082 0.000 2.081 424 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 424 R C 2.162 178.404 176.300 -0.096 0.000 1.131 424 R CA 0.883 56.899 56.100 -0.140 0.000 0.960 424 R CB -0.438 29.712 30.300 -0.251 0.000 0.856 424 R HN -0.001 nan 8.270 nan 0.000 0.436 425 L N 1.492 122.684 121.223 -0.052 0.000 2.013 425 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 425 L C 2.551 179.436 176.870 0.026 0.000 1.073 425 L CA 2.404 57.234 54.840 -0.016 0.000 0.753 425 L CB -0.989 41.067 42.059 -0.006 0.000 0.890 425 L HN 0.391 nan 8.230 nan 0.000 0.432 426 R N -1.118 119.398 120.500 0.027 0.000 2.090 426 R HA -0.077 4.263 4.340 -0.001 0.000 0.228 426 R C 2.212 178.570 176.300 0.097 0.000 1.110 426 R CA 1.022 57.157 56.100 0.059 0.000 0.973 426 R CB -0.641 29.684 30.300 0.043 0.000 0.869 426 R HN 0.180 nan 8.270 nan 0.000 0.440 427 R N 0.250 120.794 120.500 0.072 0.000 2.120 427 R HA 0.038 4.377 4.340 -0.001 0.000 0.234 427 R C 2.023 178.456 176.300 0.222 0.000 1.123 427 R CA 1.846 58.021 56.100 0.124 0.000 0.975 427 R CB -0.173 30.163 30.300 0.059 0.000 0.866 427 R HN 0.353 nan 8.270 nan 0.000 0.446 428 M N -0.296 119.366 119.600 0.104 0.000 2.465 428 M HA 0.056 4.535 4.480 -0.001 0.000 0.249 428 M C 0.786 177.297 176.300 0.352 0.000 1.130 428 M CA -0.051 55.276 55.300 0.045 0.000 1.067 428 M CB 0.608 33.054 32.600 -0.256 0.000 1.394 428 M HN -0.099 nan 8.290 nan 0.000 0.483 429 S N 1.081 116.972 115.700 0.319 0.000 2.558 429 S HA 0.090 4.559 4.470 -0.001 0.000 0.288 429 S C 1.155 176.007 174.600 0.420 0.000 1.318 429 S CA -0.260 58.137 58.200 0.327 0.000 1.056 429 S CB 0.561 63.888 63.200 0.212 0.000 0.853 429 S HN 0.358 nan 8.310 nan 0.000 0.505 430 L N 4.125 125.554 121.223 0.344 0.000 2.291 430 L HA 0.085 4.425 4.340 -0.001 0.000 0.214 430 L C 0.422 177.407 176.870 0.192 0.000 1.120 430 L CA 0.262 55.268 54.840 0.277 0.000 0.799 430 L CB -0.468 41.705 42.059 0.190 0.000 0.925 430 L HN 0.382 nan 8.230 nan 0.000 0.446 431 V N 0.842 120.879 119.914 0.205 0.000 2.432 431 V HA 0.149 4.268 4.120 -0.001 0.000 0.275 431 V C 0.108 176.284 176.094 0.137 0.000 1.043 431 V CA -0.397 62.009 62.300 0.177 0.000 0.925 431 V CB 1.305 33.254 31.823 0.210 0.000 0.985 431 V HN 0.187 nan 8.190 nan 0.000 0.466 432 E N 3.234 123.494 120.200 0.101 0.000 2.202 432 E HA 0.477 4.827 4.350 -0.001 0.000 0.272 432 E C -0.835 175.806 176.600 0.069 0.000 0.951 432 E CA -0.736 55.709 56.400 0.075 0.000 0.813 432 E CB 1.712 31.437 29.700 0.041 0.000 1.151 432 E HN 0.615 nan 8.360 nan 0.000 0.398 433 E N 1.060 121.294 120.200 0.056 0.000 2.183 433 E HA 0.574 4.923 4.350 -0.001 0.000 0.271 433 E C -0.204 176.416 176.600 0.034 0.000 0.919 433 E CA -0.565 55.862 56.400 0.045 0.000 0.781 433 E CB 2.101 31.824 29.700 0.038 0.000 1.140 433 E HN 0.718 nan 8.360 nan 0.000 0.402 434 G N 0.442 109.259 108.800 0.029 0.000 2.529 434 G HA2 0.375 4.335 3.960 -0.001 0.000 0.238 434 G HA3 0.375 4.335 3.960 -0.001 0.000 0.238 434 G C 0.371 175.280 174.900 0.016 0.000 1.207 434 G CA 0.066 45.178 45.100 0.020 0.000 0.928 434 G HN 0.409 nan 8.290 nan 0.000 0.495 435 A N -0.965 121.861 122.820 0.011 0.000 1.849 435 A HA 0.305 4.625 4.320 -0.001 0.000 0.217 435 A C 1.085 178.673 177.584 0.008 0.000 1.202 435 A CA 2.331 54.372 52.037 0.006 0.000 0.629 435 A CB -0.891 18.111 19.000 0.003 0.000 0.834 435 A HN 1.247 nan 8.150 nan 0.000 0.447 436 V N 0.436 120.360 119.914 0.016 0.000 2.513 436 V HA 0.333 4.453 4.120 -0.001 0.000 0.299 436 V C 0.037 176.158 176.094 0.046 0.000 1.035 436 V CA -0.856 61.460 62.300 0.026 0.000 0.889 436 V CB 1.543 33.385 31.823 0.033 0.000 0.988 436 V HN 0.615 nan 8.190 nan 0.000 0.440 437 K N 5.234 125.670 120.400 0.060 0.000 2.322 437 K HA 0.606 4.925 4.320 -0.001 0.000 0.283 437 K C -0.316 176.349 176.600 0.109 0.000 1.042 437 K CA -0.299 56.036 56.287 0.080 0.000 0.958 437 K CB 1.104 33.654 32.500 0.084 0.000 0.984 437 K HN 0.692 nan 8.250 nan 0.000 0.473 438 R N 2.880 123.442 120.500 0.102 0.000 2.869 438 R HA 0.536 4.875 4.340 -0.001 0.000 0.263 438 R C -0.872 175.491 176.300 0.105 0.000 1.066 438 R CA -1.036 55.128 56.100 0.106 0.000 0.960 438 R CB 1.536 31.875 30.300 0.065 0.000 1.221 438 R HN 0.588 nan 8.270 nan 0.000 0.474 439 I N 1.217 121.850 120.570 0.105 0.000 2.418 439 I HA 0.189 4.358 4.170 -0.001 0.000 0.287 439 I C -0.519 175.623 176.117 0.041 0.000 1.008 439 I CA -0.707 60.647 61.300 0.089 0.000 1.104 439 I CB 1.744 39.801 38.000 0.095 0.000 1.264 439 I HN 0.346 nan 8.210 nan 0.000 0.438 440 N N 7.361 126.052 118.700 -0.016 0.000 2.406 440 N HA 0.076 4.815 4.740 -0.001 0.000 0.269 440 N C 0.816 176.300 175.510 -0.044 0.000 1.210 440 N CA -0.090 52.890 53.050 -0.117 0.000 0.966 440 N CB 0.767 38.997 38.487 -0.429 0.000 1.293 440 N HN 0.525 nan 8.380 nan 0.000 0.491 441 M N 2.056 121.644 119.600 -0.021 0.000 2.229 441 M HA -0.071 4.408 4.480 -0.001 0.000 0.264 441 M C 1.935 178.166 176.300 -0.115 0.000 1.063 441 M CA 0.733 56.026 55.300 -0.011 0.000 1.114 441 M CB -1.556 31.079 32.600 0.059 0.000 1.387 441 M HN 0.560 nan 8.290 nan 0.000 0.420 442 A N -0.551 122.211 122.820 -0.096 0.000 1.933 442 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 442 A C 2.012 179.453 177.584 -0.238 0.000 1.175 442 A CA 1.426 53.367 52.037 -0.161 0.000 0.628 442 A CB -1.125 17.966 19.000 0.152 0.000 0.814 442 A HN 0.597 nan 8.150 nan 0.000 0.444 443 H N -1.222 117.695 119.070 -0.255 0.000 2.423 443 H HA 0.020 4.575 4.556 -0.001 0.000 0.297 443 H C 2.073 177.219 175.328 -0.303 0.000 1.075 443 H CA 0.891 56.752 56.048 -0.311 0.000 1.342 443 H CB 0.007 29.777 29.762 0.013 0.000 1.395 443 H HN 0.371 nan 8.280 nan 0.000 0.530 444 L N 0.251 121.424 121.223 -0.083 0.000 2.056 444 L HA -0.204 4.136 4.340 -0.001 0.000 0.207 444 L C 2.228 178.988 176.870 -0.183 0.000 1.078 444 L CA 1.082 55.867 54.840 -0.092 0.000 0.749 444 L CB -0.289 41.746 42.059 -0.039 0.000 0.901 444 L HN 0.424 nan 8.230 nan 0.000 0.433 445 C N -0.180 118.907 119.300 -0.356 0.000 2.419 445 C HA -0.135 4.324 4.460 -0.001 0.000 0.281 445 C C 2.625 177.375 174.990 -0.400 0.000 1.336 445 C CA 0.414 59.129 59.018 -0.505 0.000 1.770 445 C CB -0.738 26.282 27.740 -1.200 0.000 1.929 445 C HN 0.484 nan 8.230 nan 0.000 0.509 446 I N 1.134 121.441 120.570 -0.439 0.000 2.277 446 I HA -0.098 4.072 4.170 -0.001 0.000 0.243 446 I C 2.796 178.796 176.117 -0.195 0.000 1.094 446 I CA 1.279 62.360 61.300 -0.365 0.000 1.393 446 I CB -0.659 36.953 38.000 -0.647 0.000 1.078 446 I HN 0.210 nan 8.210 nan 0.000 0.417 447 A N 0.836 123.508 122.820 -0.246 0.000 1.892 447 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 447 A C 2.070 179.766 177.584 0.186 0.000 1.188 447 A CA 2.155 54.107 52.037 -0.142 0.000 0.631 447 A CB -1.257 17.532 19.000 -0.351 0.000 0.822 447 A HN 0.486 nan 8.150 nan 0.000 0.447 448 G N -1.007 107.829 108.800 0.060 0.000 3.820 448 G HA2 0.466 4.426 3.960 -0.001 0.000 0.293 448 G HA3 0.466 4.426 3.960 -0.001 0.000 0.293 448 G C -0.199 174.567 174.900 -0.223 0.000 1.152 448 G CA 0.395 45.361 45.100 -0.222 0.000 0.921 448 G HN 0.306 nan 8.290 nan 0.000 0.544 449 S N -0.194 115.421 115.700 -0.141 0.000 2.526 449 S HA 0.314 4.783 4.470 -0.001 0.000 0.293 449 S C 0.841 175.392 174.600 -0.080 0.000 1.092 449 S CA -0.748 57.391 58.200 -0.102 0.000 0.980 449 S CB 1.306 64.452 63.200 -0.090 0.000 1.048 449 S HN 0.526 nan 8.310 nan 0.000 0.483 450 H N 0.349 119.379 119.070 -0.066 0.000 2.502 450 H HA 0.389 4.945 4.556 -0.001 0.000 0.283 450 H C 0.297 175.605 175.328 -0.034 0.000 1.015 450 H CA 0.503 56.534 56.048 -0.028 0.000 1.298 450 H CB 0.099 29.856 29.762 -0.008 0.000 1.411 450 H HN 0.515 nan 8.280 nan 0.000 0.556 451 A N 1.198 123.653 122.820 -0.609 0.000 2.449 451 A HA 0.579 4.898 4.320 -0.001 0.000 0.302 451 A C -1.239 176.124 177.584 -0.368 0.000 1.048 451 A CA -0.606 51.155 52.037 -0.460 0.000 0.708 451 A CB 2.428 21.132 19.000 -0.494 0.000 1.274 451 A HN 0.102 nan 8.150 nan 0.000 0.410 452 V N 4.100 123.757 119.914 -0.428 0.000 2.483 452 V HA 0.460 4.579 4.120 -0.001 0.000 0.297 452 V C -0.722 175.173 176.094 -0.331 0.000 1.027 452 V CA -0.816 61.234 62.300 -0.417 0.000 0.855 452 V CB 1.742 33.186 31.823 -0.632 0.000 0.995 452 V HN 1.005 nan 8.190 nan 0.000 0.424 453 N N 3.406 121.931 118.700 -0.291 0.000 2.269 453 N HA 0.600 5.339 4.740 -0.001 0.000 0.304 453 N C -0.168 175.227 175.510 -0.191 0.000 1.072 453 N CA -0.347 52.576 53.050 -0.212 0.000 0.802 453 N CB 2.878 41.221 38.487 -0.240 0.000 1.348 453 N HN 0.619 nan 8.380 nan 0.000 0.484 454 G N -0.465 108.247 108.800 -0.146 0.000 2.537 454 G HA2 0.395 4.355 3.960 -0.001 0.000 0.297 454 G HA3 0.395 4.355 3.960 -0.001 0.000 0.297 454 G C -0.119 174.819 174.900 0.063 0.000 1.310 454 G CA -0.558 44.464 45.100 -0.131 0.000 1.027 454 G HN 0.406 nan 8.290 nan 0.000 0.505 455 V N -0.480 119.639 119.914 0.340 0.000 3.432 455 V HA 0.618 4.738 4.120 -0.001 0.000 0.298 455 V C 0.574 176.775 176.094 0.179 0.000 1.464 455 V CA 0.937 63.354 62.300 0.195 0.000 1.046 455 V CB -0.222 31.637 31.823 0.061 0.000 0.887 455 V HN 1.196 nan 8.190 nan 0.000 0.441 456 A N -0.761 122.173 122.820 0.191 0.000 2.590 456 A HA 0.543 4.862 4.320 -0.001 0.000 0.294 456 A C 0.431 178.076 177.584 0.101 0.000 1.046 456 A CA -0.151 51.966 52.037 0.134 0.000 0.684 456 A CB 0.814 19.884 19.000 0.116 0.000 1.279 456 A HN 0.021 nan 8.150 nan 0.000 0.415 457 R N 0.482 121.018 120.500 0.060 0.000 2.083 457 R HA -0.150 4.190 4.340 -0.001 0.000 0.237 457 R C 1.413 177.717 176.300 0.007 0.000 1.137 457 R CA 2.272 58.383 56.100 0.018 0.000 0.951 457 R CB -0.271 30.034 30.300 0.008 0.000 0.851 457 R HN 0.759 nan 8.270 nan 0.000 0.434 458 I N 0.387 120.970 120.570 0.022 0.000 2.264 458 I HA -0.300 3.869 4.170 -0.001 0.000 0.248 458 I C 2.447 178.584 176.117 0.032 0.000 1.111 458 I CA 1.617 62.923 61.300 0.010 0.000 1.382 458 I CB -1.644 36.358 38.000 0.005 0.000 1.060 458 I HN 0.442 nan 8.210 nan 0.000 0.418 459 H N 0.770 119.816 119.070 -0.039 0.000 2.321 459 H HA -0.116 4.440 4.556 -0.001 0.000 0.300 459 H C 2.268 177.568 175.328 -0.047 0.000 1.087 459 H CA 1.796 57.817 56.048 -0.045 0.000 1.319 459 H CB 0.498 30.242 29.762 -0.031 0.000 1.379 459 H HN 0.182 nan 8.280 nan 0.000 0.501 460 S N 0.419 115.999 115.700 -0.200 0.000 2.402 460 S HA -0.093 4.377 4.470 -0.001 0.000 0.229 460 S C 1.891 176.376 174.600 -0.192 0.000 1.021 460 S CA 0.808 58.861 58.200 -0.245 0.000 0.974 460 S CB 0.019 63.147 63.200 -0.121 0.000 0.800 460 S HN 0.458 nan 8.310 nan 0.000 0.484 461 E N 1.741 121.852 120.200 -0.148 0.000 2.031 461 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 461 E C 2.077 178.563 176.600 -0.189 0.000 0.994 461 E CA 1.025 57.327 56.400 -0.163 0.000 0.800 461 E CB -0.516 29.118 29.700 -0.110 0.000 0.752 461 E HN 0.728 nan 8.360 nan 0.000 0.447 462 I N -1.510 118.969 120.570 -0.150 0.000 3.176 462 I HA -0.079 4.091 4.170 -0.001 0.000 0.275 462 I C 2.002 177.998 176.117 -0.201 0.000 1.298 462 I CA 0.524 61.735 61.300 -0.148 0.000 1.445 462 I CB -0.300 37.645 38.000 -0.092 0.000 1.075 462 I HN -0.044 nan 8.210 nan 0.000 0.482 463 L N 2.031 123.111 121.223 -0.238 0.000 2.044 463 L HA -0.108 4.231 4.340 -0.001 0.000 0.205 463 L C 2.665 179.414 176.870 -0.201 0.000 1.075 463 L CA 1.595 56.301 54.840 -0.223 0.000 0.747 463 L CB -0.417 41.587 42.059 -0.091 0.000 0.903 463 L HN 0.391 nan 8.230 nan 0.000 0.435 464 K N -0.615 119.590 120.400 -0.325 0.000 2.379 464 K HA 0.008 4.327 4.320 -0.001 0.000 0.194 464 K C 1.513 177.842 176.600 -0.452 0.000 1.031 464 K CA 0.369 56.310 56.287 -0.576 0.000 1.037 464 K CB 0.211 32.035 32.500 -1.127 0.000 0.824 464 K HN 0.203 nan 8.250 nan 0.000 0.516 465 K N 0.798 121.020 120.400 -0.296 0.000 2.348 465 K HA 0.047 4.367 4.320 -0.001 0.000 0.194 465 K C 1.384 177.913 176.600 -0.118 0.000 1.052 465 K CA 1.251 57.427 56.287 -0.184 0.000 1.004 465 K CB 0.874 33.280 32.500 -0.157 0.000 0.873 465 K HN 0.344 nan 8.250 nan 0.000 0.523 466 T N -1.902 112.573 114.554 -0.133 0.000 3.361 466 T HA 0.123 4.473 4.350 -0.001 0.000 0.241 466 T C 1.887 176.514 174.700 -0.120 0.000 0.998 466 T CA -0.221 61.816 62.100 -0.105 0.000 1.215 466 T CB -0.460 68.349 68.868 -0.100 0.000 1.196 466 T HN -0.132 nan 8.240 nan 0.000 0.376 467 I N 0.919 121.347 120.570 -0.235 0.000 2.226 467 I HA 0.076 4.246 4.170 -0.001 0.000 0.245 467 I C 0.919 176.844 176.117 -0.321 0.000 1.100 467 I CA 1.419 62.479 61.300 -0.400 0.000 1.374 467 I CB -0.276 37.291 38.000 -0.722 0.000 1.057 467 I HN 0.205 nan 8.210 nan 0.000 0.413 468 F N 0.380 120.367 119.950 0.061 0.000 2.850 468 F HA 0.289 4.816 4.527 -0.001 0.000 0.329 468 F C 1.695 177.547 175.800 0.087 0.000 1.182 468 F CA -0.970 57.123 58.000 0.155 0.000 1.270 468 F CB -0.587 38.493 39.000 0.133 0.000 0.979 468 F HN -0.106 nan 8.300 nan 0.000 0.506 469 K N 0.810 121.300 120.400 0.149 0.000 2.044 469 K HA -0.216 4.104 4.320 -0.001 0.000 0.210 469 K C 1.338 177.999 176.600 0.101 0.000 1.049 469 K CA 2.331 58.660 56.287 0.069 0.000 0.927 469 K CB -0.018 32.491 32.500 0.015 0.000 0.713 469 K HN 0.108 nan 8.250 nan 0.000 0.443 470 D N -0.131 120.315 120.400 0.078 0.000 2.117 470 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 470 D C 1.855 178.121 176.300 -0.058 0.000 0.987 470 D CA 1.287 55.228 54.000 -0.098 0.000 0.829 470 D CB -0.282 40.375 40.800 -0.239 0.000 0.961 470 D HN 0.264 nan 8.370 nan 0.000 0.460 471 F N -0.180 119.848 119.950 0.131 0.000 2.186 471 F HA -0.151 4.375 4.527 -0.001 0.000 0.299 471 F C 2.337 178.273 175.800 0.227 0.000 1.090 471 F CA 0.584 58.735 58.000 0.251 0.000 1.307 471 F CB -0.609 38.603 39.000 0.354 0.000 1.019 471 F HN -0.009 nan 8.300 nan 0.000 0.489 472 Y N 1.138 121.407 120.300 -0.051 0.000 2.352 472 Y HA -0.121 4.428 4.550 -0.001 0.000 0.292 472 Y C 1.903 177.794 175.900 -0.015 0.000 1.136 472 Y CA 1.363 59.275 58.100 -0.313 0.000 1.227 472 Y CB -0.458 37.599 38.460 -0.672 0.000 0.991 472 Y HN 0.131 nan 8.280 nan 0.000 0.545 473 E N -0.163 120.032 120.200 -0.008 0.000 2.299 473 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 473 E C 2.066 178.772 176.600 0.177 0.000 0.998 473 E CA 0.441 56.847 56.400 0.011 0.000 0.851 473 E CB 0.037 29.776 29.700 0.064 0.000 0.795 473 E HN 0.481 nan 8.360 nan 0.000 0.492 474 L N 0.744 122.094 121.223 0.211 0.000 2.068 474 L HA -0.035 4.304 4.340 -0.001 0.000 0.204 474 L C 0.197 177.127 176.870 0.100 0.000 1.076 474 L CA 1.302 56.278 54.840 0.228 0.000 0.753 474 L CB 0.341 42.538 42.059 0.230 0.000 0.910 474 L HN 0.006 nan 8.230 nan 0.000 0.439 475 E N -0.268 119.974 120.200 0.069 0.000 3.132 475 E HA 0.146 4.496 4.350 -0.001 0.000 0.241 475 E C -1.949 174.506 176.600 -0.242 0.000 1.196 475 E CA -1.365 54.933 56.400 -0.170 0.000 0.869 475 E CB 1.080 30.720 29.700 -0.100 0.000 1.387 475 E HN 0.167 nan 8.360 nan 0.000 0.393 476 P HA -0.231 nan 4.420 nan 0.000 0.218 476 P C 1.099 178.413 177.300 0.023 0.000 1.149 476 P CA 1.331 64.208 63.100 -0.371 0.000 0.817 476 P CB -0.040 31.380 31.700 -0.465 0.000 0.785 477 H N -0.476 118.667 119.070 0.121 0.000 2.521 477 H HA 0.112 4.668 4.556 -0.001 0.000 0.286 477 H C 1.528 176.927 175.328 0.118 0.000 1.034 477 H CA 0.558 56.677 56.048 0.118 0.000 1.278 477 H CB -0.535 29.271 29.762 0.073 0.000 1.386 477 H HN 0.143 nan 8.280 nan 0.000 0.567 478 K N 0.491 120.840 120.400 -0.084 0.000 2.155 478 K HA -0.001 4.318 4.320 -0.001 0.000 0.203 478 K C -0.189 176.255 176.600 -0.260 0.000 1.052 478 K CA 0.351 56.526 56.287 -0.187 0.000 0.948 478 K CB 0.055 32.298 32.500 -0.427 0.000 0.728 478 K HN 0.125 nan 8.250 nan 0.000 0.448 479 F N 1.731 121.720 119.950 0.065 0.000 2.411 479 F HA 0.207 4.734 4.527 -0.001 0.000 0.355 479 F C 0.461 176.275 175.800 0.024 0.000 1.117 479 F CA -0.233 57.809 58.000 0.070 0.000 1.139 479 F CB 1.029 40.145 39.000 0.192 0.000 1.120 479 F HN -0.127 nan 8.300 nan 0.000 0.493 480 Q N 1.811 121.639 119.800 0.048 0.000 2.496 480 Q HA 0.358 4.698 4.340 -0.001 0.000 0.286 480 Q C -1.030 174.931 176.000 -0.065 0.000 1.103 480 Q CA -1.229 54.557 55.803 -0.029 0.000 0.813 480 Q CB 3.164 31.825 28.738 -0.127 0.000 1.444 480 Q HN 0.633 nan 8.270 nan 0.000 0.443 481 N N 0.641 119.289 118.700 -0.088 0.000 2.370 481 N HA 0.264 5.004 4.740 -0.001 0.000 0.303 481 N C -1.291 174.127 175.510 -0.153 0.000 1.103 481 N CA -0.402 52.591 53.050 -0.096 0.000 0.848 481 N CB 0.936 39.390 38.487 -0.055 0.000 1.235 481 N HN 0.283 nan 8.380 nan 0.000 0.496 482 K N 2.761 123.081 120.400 -0.134 0.000 2.752 482 K HA 0.159 4.479 4.320 -0.001 0.000 0.199 482 K C -0.867 175.767 176.600 0.056 0.000 1.069 482 K CA -0.460 55.741 56.287 -0.143 0.000 1.033 482 K CB 0.930 33.155 32.500 -0.458 0.000 1.229 482 K HN 0.567 nan 8.250 nan 0.000 0.572 483 T N 2.400 116.992 114.554 0.063 0.000 2.891 483 T HA -0.023 4.327 4.350 -0.001 0.000 0.296 483 T C 0.846 175.677 174.700 0.219 0.000 1.025 483 T CA 0.506 62.688 62.100 0.138 0.000 1.149 483 T CB 0.148 69.087 68.868 0.119 0.000 1.007 483 T HN 0.247 nan 8.240 nan 0.000 0.528 484 N N 0.970 119.827 118.700 0.263 0.000 2.288 484 N HA 0.513 5.253 4.740 -0.001 0.000 0.237 484 N C 0.534 176.246 175.510 0.335 0.000 1.311 484 N CA 0.052 53.299 53.050 0.329 0.000 0.909 484 N CB 0.642 39.280 38.487 0.253 0.000 1.167 484 N HN 0.849 nan 8.380 nan 0.000 0.476 485 G N -0.977 108.036 108.800 0.356 0.000 2.645 485 G HA2 0.652 4.611 3.960 -0.001 0.000 0.292 485 G HA3 0.652 4.611 3.960 -0.001 0.000 0.292 485 G C -1.585 173.480 174.900 0.275 0.000 1.415 485 G CA -0.271 45.020 45.100 0.319 0.000 0.785 485 G HN 0.399 nan 8.290 nan 0.000 0.483 486 I N -0.378 120.337 120.570 0.242 0.000 2.686 486 I HA 0.534 4.703 4.170 -0.001 0.000 0.295 486 I C 0.155 176.441 176.117 0.283 0.000 1.114 486 I CA -0.448 60.984 61.300 0.221 0.000 1.038 486 I CB 2.663 40.701 38.000 0.064 0.000 1.238 486 I HN 0.476 nan 8.210 nan 0.000 0.420 487 T N 7.716 122.494 114.554 0.373 0.000 2.752 487 T HA 0.305 4.655 4.350 -0.001 0.000 0.295 487 T C -1.701 173.126 174.700 0.212 0.000 0.923 487 T CA -1.456 60.789 62.100 0.242 0.000 1.112 487 T CB 0.755 69.716 68.868 0.154 0.000 0.884 487 T HN 0.395 nan 8.240 nan 0.000 0.525 488 P HA 0.006 nan 4.420 nan 0.000 0.230 488 P C 1.138 178.417 177.300 -0.034 0.000 1.158 488 P CA 0.379 63.527 63.100 0.079 0.000 0.769 488 P CB 0.381 32.107 31.700 0.043 0.000 0.807 489 R N 0.526 120.959 120.500 -0.112 0.000 2.078 489 R HA -0.012 4.328 4.340 -0.001 0.000 0.224 489 R C 2.662 178.841 176.300 -0.202 0.000 1.149 489 R CA 1.607 57.589 56.100 -0.198 0.000 0.916 489 R CB -1.334 28.859 30.300 -0.179 0.000 0.821 489 R HN -0.005 nan 8.270 nan 0.000 0.434 490 R N -0.883 119.430 120.500 -0.312 0.000 2.091 490 R HA -0.149 4.190 4.340 -0.001 0.000 0.238 490 R C 1.272 177.202 176.300 -0.617 0.000 1.136 490 R CA 1.965 57.696 56.100 -0.615 0.000 0.959 490 R CB -0.212 29.472 30.300 -1.027 0.000 0.856 490 R HN 0.341 nan 8.270 nan 0.000 0.437 491 W N -0.900 120.365 121.300 -0.058 0.000 3.278 491 W HA 0.244 4.903 4.660 -0.001 0.000 0.308 491 W C 1.346 177.838 176.519 -0.045 0.000 1.253 491 W CA -0.639 56.668 57.345 -0.062 0.000 1.759 491 W CB 0.494 29.921 29.460 -0.054 0.000 1.093 491 W HN 0.151 nan 8.180 nan 0.000 0.648 492 L N -1.988 119.307 121.223 0.119 0.000 2.865 492 L HA 0.049 4.389 4.340 -0.001 0.000 0.167 492 L C 1.821 178.711 176.870 0.034 0.000 1.135 492 L CA 0.333 55.229 54.840 0.093 0.000 0.895 492 L CB -0.636 41.502 42.059 0.131 0.000 1.643 492 L HN -0.320 nan 8.230 nan 0.000 0.518 493 V N 1.272 121.178 119.914 -0.012 0.000 2.343 493 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 493 V C 2.337 178.406 176.094 -0.041 0.000 1.051 493 V CA 2.103 64.385 62.300 -0.030 0.000 1.036 493 V CB -0.255 31.505 31.823 -0.105 0.000 0.654 493 V HN 0.370 nan 8.190 nan 0.000 0.451 494 L N 0.514 121.683 121.223 -0.089 0.000 1.982 494 L HA -0.186 4.153 4.340 -0.001 0.000 0.206 494 L C 2.594 179.409 176.870 -0.090 0.000 1.078 494 L CA 2.385 57.160 54.840 -0.108 0.000 0.749 494 L CB -0.373 41.571 42.059 -0.192 0.000 0.894 494 L HN 0.628 nan 8.230 nan 0.000 0.436 495 C N -0.866 118.370 119.300 -0.107 0.000 2.491 495 C HA 0.095 4.554 4.460 -0.001 0.000 0.277 495 C C 1.080 176.061 174.990 -0.015 0.000 1.455 495 C CA -0.059 58.920 59.018 -0.066 0.000 1.758 495 C CB -1.426 26.288 27.740 -0.044 0.000 1.745 495 C HN 0.651 nan 8.230 nan 0.000 0.558 496 N N 0.553 119.252 118.700 -0.001 0.000 2.666 496 N HA 0.241 4.981 4.740 -0.001 0.000 0.253 496 N C -1.926 173.599 175.510 0.025 0.000 1.621 496 N CA -1.188 51.871 53.050 0.016 0.000 0.785 496 N CB 0.726 39.229 38.487 0.028 0.000 1.332 496 N HN 0.197 nan 8.380 nan 0.000 0.514 497 P HA 0.019 nan 4.420 nan 0.000 0.219 497 P C 1.467 178.787 177.300 0.033 0.000 1.150 497 P CA 0.784 63.900 63.100 0.027 0.000 0.814 497 P CB 0.233 31.943 31.700 0.017 0.000 0.787 498 G N 1.007 109.821 108.800 0.024 0.000 2.491 498 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 498 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 498 G C 1.521 176.437 174.900 0.026 0.000 1.180 498 G CA 0.871 45.983 45.100 0.020 0.000 0.774 498 G HN 0.232 nan 8.290 nan 0.000 0.562 499 L N 1.346 122.585 121.223 0.026 0.000 2.027 499 L HA 0.178 4.518 4.340 -0.001 0.000 0.206 499 L C 3.187 180.091 176.870 0.056 0.000 1.074 499 L CA 2.082 56.940 54.840 0.030 0.000 0.745 499 L CB -0.895 41.178 42.059 0.025 0.000 0.898 499 L HN 0.269 nan 8.230 nan 0.000 0.433 500 A N -0.954 121.917 122.820 0.084 0.000 1.917 500 A HA -0.314 4.006 4.320 -0.001 0.000 0.219 500 A C 2.351 180.021 177.584 0.144 0.000 1.182 500 A CA 2.145 54.276 52.037 0.157 0.000 0.633 500 A CB -0.736 18.352 19.000 0.146 0.000 0.819 500 A HN 0.625 nan 8.150 nan 0.000 0.448 501 E N -0.056 120.197 120.200 0.089 0.000 2.072 501 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 501 E C 1.924 178.556 176.600 0.054 0.000 0.982 501 E CA 1.257 57.700 56.400 0.071 0.000 0.803 501 E CB -0.260 29.468 29.700 0.048 0.000 0.755 501 E HN 0.802 nan 8.360 nan 0.000 0.453 502 I N -1.663 118.941 120.570 0.058 0.000 2.830 502 I HA -0.080 4.090 4.170 -0.001 0.000 0.263 502 I C 1.932 178.097 176.117 0.080 0.000 1.230 502 I CA 0.744 62.093 61.300 0.082 0.000 1.480 502 I CB -0.101 37.966 38.000 0.111 0.000 1.095 502 I HN 0.039 nan 8.210 nan 0.000 0.455 503 I N 1.678 122.258 120.570 0.017 0.000 2.339 503 I HA -0.078 4.092 4.170 -0.001 0.000 0.245 503 I C 2.976 178.994 176.117 -0.165 0.000 1.096 503 I CA 1.045 62.254 61.300 -0.151 0.000 1.408 503 I CB -0.451 37.356 38.000 -0.321 0.000 1.092 503 I HN 0.272 nan 8.210 nan 0.000 0.423 504 A N 0.691 123.512 122.820 0.001 0.000 1.948 504 A HA -0.277 4.043 4.320 -0.001 0.000 0.220 504 A C 2.177 179.771 177.584 0.017 0.000 1.177 504 A CA 1.984 54.085 52.037 0.107 0.000 0.636 504 A CB -0.675 18.422 19.000 0.161 0.000 0.815 504 A HN 0.453 nan 8.150 nan 0.000 0.449 505 E N -0.883 119.302 120.200 -0.025 0.000 2.077 505 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 505 E C 2.319 178.856 176.600 -0.105 0.000 0.989 505 E CA 1.189 57.560 56.400 -0.048 0.000 0.800 505 E CB -0.066 29.609 29.700 -0.042 0.000 0.746 505 E HN 0.459 nan 8.360 nan 0.000 0.452 506 R N 0.191 120.551 120.500 -0.232 0.000 2.100 506 R HA 0.015 4.355 4.340 -0.001 0.000 0.220 506 R C 2.229 178.443 176.300 -0.144 0.000 1.091 506 R CA 0.962 56.872 56.100 -0.317 0.000 0.986 506 R CB -0.322 29.430 30.300 -0.913 0.000 0.888 506 R HN 0.381 nan 8.270 nan 0.000 0.444 507 I N -4.051 116.444 120.570 -0.125 0.000 4.225 507 I HA 0.444 4.614 4.170 -0.001 0.000 0.327 507 I C 0.449 176.589 176.117 0.037 0.000 1.422 507 I CA 0.047 61.325 61.300 -0.038 0.000 1.150 507 I CB 0.927 38.888 38.000 -0.065 0.000 1.192 507 I HN 0.154 nan 8.210 nan 0.000 0.440 508 G N 3.382 112.213 108.800 0.052 0.000 2.693 508 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.226 508 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.226 508 G C 0.131 175.164 174.900 0.222 0.000 1.354 508 G CA 0.324 45.485 45.100 0.102 0.000 0.873 508 G HN 0.771 nan 8.290 nan 0.000 0.562 509 E N -0.923 119.376 120.200 0.165 0.000 2.693 509 E HA 0.289 4.639 4.350 -0.001 0.000 0.214 509 E C 1.094 177.656 176.600 -0.063 0.000 0.990 509 E CA 0.317 56.775 56.400 0.097 0.000 1.047 509 E CB 0.455 30.164 29.700 0.015 0.000 1.039 509 E HN 0.643 nan 8.360 nan 0.000 0.475 510 E N 0.573 120.805 120.200 0.053 0.000 2.472 510 E HA -0.156 4.194 4.350 -0.001 0.000 0.200 510 E C 1.100 177.706 176.600 0.010 0.000 1.046 510 E CA 0.953 57.367 56.400 0.024 0.000 0.871 510 E CB -0.268 29.464 29.700 0.054 0.000 0.806 510 E HN 0.598 nan 8.360 nan 0.000 0.533 511 Y N -1.210 119.095 120.300 0.008 0.000 2.373 511 Y HA -0.011 4.538 4.550 -0.001 0.000 0.293 511 Y C 1.756 177.641 175.900 -0.025 0.000 1.129 511 Y CA 0.444 58.542 58.100 -0.002 0.000 1.226 511 Y CB -0.452 38.008 38.460 0.000 0.000 1.000 511 Y HN -0.075 nan 8.280 nan 0.000 0.549 512 I N 1.037 121.117 120.570 -0.817 0.000 2.423 512 I HA -0.245 3.924 4.170 -0.001 0.000 0.254 512 I C 1.863 177.761 176.117 -0.366 0.000 1.151 512 I CA 1.905 62.785 61.300 -0.700 0.000 1.421 512 I CB -0.377 37.132 38.000 -0.817 0.000 1.079 512 I HN 0.507 nan 8.210 nan 0.000 0.431 513 S N -2.104 113.479 115.700 -0.196 0.000 2.730 513 S HA 0.152 4.622 4.470 -0.001 0.000 0.244 513 S C 0.122 174.715 174.600 -0.011 0.000 1.022 513 S CA -0.510 57.648 58.200 -0.070 0.000 1.014 513 S CB 0.297 63.509 63.200 0.020 0.000 0.963 513 S HN 0.291 nan 8.310 nan 0.000 0.540 514 D N 0.814 121.215 120.400 0.002 0.000 2.668 514 D HA 0.238 4.877 4.640 -0.001 0.000 0.247 514 D C 0.242 176.588 176.300 0.078 0.000 1.268 514 D CA -0.416 53.607 54.000 0.038 0.000 0.842 514 D CB 0.711 41.536 40.800 0.041 0.000 1.399 514 D HN 0.142 nan 8.370 nan 0.000 0.530 515 L N 1.716 122.986 121.223 0.079 0.000 2.362 515 L HA 0.073 4.412 4.340 -0.001 0.000 0.219 515 L C 1.412 178.342 176.870 0.100 0.000 1.134 515 L CA 1.307 56.222 54.840 0.125 0.000 0.807 515 L CB -0.019 42.109 42.059 0.115 0.000 0.927 515 L HN 0.264 nan 8.230 nan 0.000 0.447 516 D N -0.621 119.815 120.400 0.061 0.000 2.309 516 D HA -0.176 4.463 4.640 -0.001 0.000 0.212 516 D C 1.834 178.162 176.300 0.046 0.000 0.968 516 D CA 0.699 54.722 54.000 0.038 0.000 0.882 516 D CB 0.160 40.968 40.800 0.014 0.000 0.918 516 D HN 0.544 nan 8.370 nan 0.000 0.503 517 Q N -0.221 119.621 119.800 0.071 0.000 2.436 517 Q HA 0.012 4.351 4.340 -0.001 0.000 0.209 517 Q C 2.151 178.176 176.000 0.041 0.000 0.965 517 Q CA 0.112 55.955 55.803 0.067 0.000 0.910 517 Q CB 0.171 28.970 28.738 0.102 0.000 0.980 517 Q HN 0.358 nan 8.270 nan 0.000 0.491 518 L N 0.074 121.320 121.223 0.039 0.000 2.349 518 L HA -0.192 4.148 4.340 -0.001 0.000 0.220 518 L C 2.347 179.225 176.870 0.014 0.000 1.130 518 L CA 0.781 55.615 54.840 -0.009 0.000 0.791 518 L CB -0.290 41.778 42.059 0.015 0.000 0.918 518 L HN 0.198 nan 8.230 nan 0.000 0.444 519 R N 0.577 121.095 120.500 0.029 0.000 2.117 519 R HA -0.212 4.127 4.340 -0.001 0.000 0.243 519 R C 2.189 178.509 176.300 0.033 0.000 1.143 519 R CA 1.499 57.618 56.100 0.032 0.000 0.968 519 R CB -0.037 30.278 30.300 0.024 0.000 0.863 519 R HN 0.220 nan 8.270 nan 0.000 0.444 520 K N -0.257 120.160 120.400 0.028 0.000 2.211 520 K HA -0.146 4.173 4.320 -0.001 0.000 0.204 520 K C 1.520 178.174 176.600 0.089 0.000 1.047 520 K CA 0.828 57.139 56.287 0.040 0.000 0.935 520 K CB -0.034 32.488 32.500 0.037 0.000 0.728 520 K HN 0.058 nan 8.250 nan 0.000 0.452 521 L N 0.435 121.702 121.223 0.073 0.000 2.265 521 L HA -0.137 4.202 4.340 -0.001 0.000 0.215 521 L C 1.616 178.601 176.870 0.190 0.000 1.117 521 L CA 1.209 56.123 54.840 0.124 0.000 0.782 521 L CB -0.597 41.507 42.059 0.075 0.000 0.914 521 L HN 0.163 nan 8.230 nan 0.000 0.441 522 L N -0.954 120.334 121.223 0.108 0.000 2.261 522 L HA -0.153 4.186 4.340 -0.001 0.000 0.216 522 L C 2.402 179.289 176.870 0.028 0.000 1.114 522 L CA 1.226 56.109 54.840 0.073 0.000 0.777 522 L CB -1.274 40.807 42.059 0.038 0.000 0.910 522 L HN 0.250 nan 8.230 nan 0.000 0.440 523 S N -1.872 113.810 115.700 -0.029 0.000 2.481 523 S HA -0.096 4.374 4.470 -0.001 0.000 0.231 523 S C 1.255 175.655 174.600 -0.333 0.000 0.996 523 S CA 0.583 58.651 58.200 -0.221 0.000 0.942 523 S CB -0.276 62.699 63.200 -0.375 0.000 0.768 523 S HN 0.463 nan 8.310 nan 0.000 0.520 524 Y N 0.358 120.642 120.300 -0.025 0.000 2.485 524 Y HA 0.244 4.794 4.550 -0.001 0.000 0.260 524 Y C 1.702 177.692 175.900 0.150 0.000 1.173 524 Y CA -0.455 57.657 58.100 0.020 0.000 1.252 524 Y CB -0.148 38.213 38.460 -0.165 0.000 1.123 524 Y HN 0.036 nan 8.280 nan 0.000 0.524 525 V N -0.654 119.374 119.914 0.189 0.000 2.720 525 V HA -0.231 3.888 4.120 -0.001 0.000 0.256 525 V C 1.046 177.203 176.094 0.105 0.000 1.082 525 V CA 1.851 64.237 62.300 0.144 0.000 1.101 525 V CB -0.188 31.681 31.823 0.078 0.000 0.693 525 V HN 0.430 nan 8.190 nan 0.000 0.479 526 D N -0.651 119.799 120.400 0.083 0.000 2.433 526 D HA 0.110 4.749 4.640 -0.001 0.000 0.211 526 D C 0.260 176.605 176.300 0.074 0.000 1.114 526 D CA 0.053 54.088 54.000 0.057 0.000 0.837 526 D CB 0.546 41.359 40.800 0.021 0.000 0.984 526 D HN 0.503 nan 8.370 nan 0.000 0.505 527 D N 1.401 121.880 120.400 0.131 0.000 2.325 527 D HA 0.008 4.648 4.640 -0.001 0.000 0.251 527 D C 1.401 177.801 176.300 0.167 0.000 1.196 527 D CA -0.066 54.029 54.000 0.158 0.000 0.866 527 D CB 1.087 42.043 40.800 0.261 0.000 1.101 527 D HN -0.296 nan 8.370 nan 0.000 0.476 528 E N 2.962 123.226 120.200 0.108 0.000 2.118 528 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 528 E C 1.755 178.409 176.600 0.090 0.000 0.992 528 E CA 1.075 57.523 56.400 0.080 0.000 0.804 528 E CB -0.287 29.444 29.700 0.051 0.000 0.741 528 E HN 0.634 nan 8.360 nan 0.000 0.458 529 A N 0.283 123.175 122.820 0.120 0.000 1.929 529 A HA -0.107 4.213 4.320 -0.001 0.000 0.216 529 A C 2.000 179.683 177.584 0.165 0.000 1.176 529 A CA 0.727 52.833 52.037 0.115 0.000 0.628 529 A CB -0.548 18.517 19.000 0.109 0.000 0.816 529 A HN 0.219 nan 8.150 nan 0.000 0.444 530 F N 0.593 120.562 119.950 0.030 0.000 2.163 530 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 530 F C 1.918 177.723 175.800 0.007 0.000 1.094 530 F CA 0.761 58.759 58.000 -0.003 0.000 1.290 530 F CB -0.327 38.676 39.000 0.005 0.000 1.017 530 F HN 0.158 nan 8.300 nan 0.000 0.483 531 I N 0.722 121.311 120.570 0.031 0.000 2.118 531 I HA -0.383 3.787 4.170 -0.001 0.000 0.241 531 I C 2.702 178.760 176.117 -0.097 0.000 1.070 531 I CA 2.101 63.361 61.300 -0.065 0.000 1.327 531 I CB -0.480 37.529 38.000 0.015 0.000 1.034 531 I HN 0.143 nan 8.210 nan 0.000 0.405 532 R N 0.387 120.862 120.500 -0.042 0.000 2.148 532 R HA -0.122 4.218 4.340 -0.001 0.000 0.223 532 R C 1.536 177.795 176.300 -0.067 0.000 1.088 532 R CA 1.556 57.629 56.100 -0.045 0.000 0.985 532 R CB -0.405 29.886 30.300 -0.015 0.000 0.880 532 R HN 0.218 nan 8.270 nan 0.000 0.451 533 D N 0.808 121.162 120.400 -0.077 0.000 2.097 533 D HA -0.086 4.554 4.640 -0.001 0.000 0.197 533 D C 2.022 178.226 176.300 -0.160 0.000 0.984 533 D CA 1.227 55.179 54.000 -0.079 0.000 0.826 533 D CB -0.045 40.759 40.800 0.007 0.000 0.973 533 D HN 0.049 nan 8.370 nan 0.000 0.460 534 V N 1.238 120.951 119.914 -0.335 0.000 2.255 534 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 534 V C 2.486 178.484 176.094 -0.160 0.000 1.051 534 V CA 1.990 64.093 62.300 -0.329 0.000 1.018 534 V CB -0.913 30.594 31.823 -0.526 0.000 0.641 534 V HN 0.218 nan 8.190 nan 0.000 0.445 535 A N -0.235 122.507 122.820 -0.130 0.000 1.986 535 A HA -0.313 4.006 4.320 -0.001 0.000 0.220 535 A C 2.220 179.764 177.584 -0.067 0.000 1.171 535 A CA 2.471 54.465 52.037 -0.072 0.000 0.640 535 A CB -0.508 18.453 19.000 -0.065 0.000 0.811 535 A HN 0.529 nan 8.150 nan 0.000 0.451 536 K N -0.396 119.964 120.400 -0.067 0.000 2.057 536 K HA -0.023 4.296 4.320 -0.001 0.000 0.206 536 K C 1.662 178.236 176.600 -0.042 0.000 1.050 536 K CA 1.593 57.850 56.287 -0.048 0.000 0.935 536 K CB -0.449 32.029 32.500 -0.037 0.000 0.715 536 K HN 0.172 nan 8.250 nan 0.000 0.439 537 V N 1.174 121.061 119.914 -0.046 0.000 2.343 537 V HA -0.218 3.902 4.120 -0.001 0.000 0.247 537 V C 2.296 178.372 176.094 -0.031 0.000 1.051 537 V CA 1.965 64.246 62.300 -0.032 0.000 1.036 537 V CB -0.524 31.279 31.823 -0.033 0.000 0.654 537 V HN 0.330 nan 8.190 nan 0.000 0.451 538 K N 0.409 120.785 120.400 -0.040 0.000 2.032 538 K HA -0.213 4.107 4.320 -0.001 0.000 0.209 538 K C 2.261 178.816 176.600 -0.075 0.000 1.048 538 K CA 1.743 58.005 56.287 -0.042 0.000 0.927 538 K CB -0.568 31.921 32.500 -0.019 0.000 0.712 538 K HN 0.451 nan 8.250 nan 0.000 0.441 539 Q N 0.221 119.975 119.800 -0.076 0.000 2.084 539 Q HA -0.185 4.155 4.340 -0.001 0.000 0.202 539 Q C 1.806 177.770 176.000 -0.059 0.000 0.978 539 Q CA 1.823 57.572 55.803 -0.089 0.000 0.844 539 Q CB 0.008 28.703 28.738 -0.071 0.000 0.898 539 Q HN 0.483 nan 8.270 nan 0.000 0.426 540 E N -0.127 120.054 120.200 -0.032 0.000 2.106 540 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 540 E C 1.720 178.328 176.600 0.013 0.000 0.984 540 E CA 0.967 57.364 56.400 -0.005 0.000 0.806 540 E CB -0.033 29.667 29.700 -0.000 0.000 0.750 540 E HN 0.456 nan 8.360 nan 0.000 0.458 541 N N 0.615 119.317 118.700 0.003 0.000 2.142 541 N HA -0.139 4.601 4.740 -0.001 0.000 0.186 541 N C 1.672 177.222 175.510 0.067 0.000 1.023 541 N CA 0.843 53.911 53.050 0.031 0.000 0.852 541 N CB 0.061 38.551 38.487 0.006 0.000 0.998 541 N HN 0.001 nan 8.380 nan 0.000 0.424 542 K N 0.430 120.811 120.400 -0.032 0.000 2.057 542 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 542 K C 1.729 178.389 176.600 0.100 0.000 1.049 542 K CA 0.830 57.058 56.287 -0.098 0.000 0.931 542 K CB -0.084 32.081 32.500 -0.558 0.000 0.714 542 K HN 0.033 nan 8.250 nan 0.000 0.440 543 L N 1.811 123.064 121.223 0.051 0.000 1.989 543 L HA -0.197 4.143 4.340 -0.001 0.000 0.211 543 L C 2.136 179.087 176.870 0.136 0.000 1.071 543 L CA 1.751 56.643 54.840 0.087 0.000 0.749 543 L CB -0.545 41.541 42.059 0.045 0.000 0.890 543 L HN 0.085 nan 8.230 nan 0.000 0.431 544 K N -1.463 119.019 120.400 0.138 0.000 2.015 544 K HA -0.267 4.052 4.320 -0.001 0.000 0.216 544 K C 2.210 178.949 176.600 0.232 0.000 1.052 544 K CA 2.117 58.500 56.287 0.160 0.000 0.937 544 K CB -0.496 32.092 32.500 0.146 0.000 0.719 544 K HN 0.145 nan 8.250 nan 0.000 0.446 545 F N 1.007 121.040 119.950 0.138 0.000 2.234 545 F HA -0.109 4.417 4.527 -0.001 0.000 0.299 545 F C 2.091 178.041 175.800 0.250 0.000 1.087 545 F CA 1.080 59.188 58.000 0.180 0.000 1.340 545 F CB -0.208 38.909 39.000 0.196 0.000 1.031 545 F HN 0.030 nan 8.300 nan 0.000 0.500 546 A N 0.011 123.027 122.820 0.326 0.000 1.972 546 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 546 A C 2.403 180.040 177.584 0.089 0.000 1.169 546 A CA 1.507 53.670 52.037 0.210 0.000 0.635 546 A CB -1.351 17.797 19.000 0.245 0.000 0.810 546 A HN 0.422 nan 8.150 nan 0.000 0.446 547 A N -1.020 121.858 122.820 0.098 0.000 1.858 547 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 547 A C 2.129 179.739 177.584 0.044 0.000 1.190 547 A CA 1.646 53.724 52.037 0.069 0.000 0.617 547 A CB -1.008 18.041 19.000 0.082 0.000 0.827 547 A HN 0.752 nan 8.150 nan 0.000 0.443 548 Y N -0.073 120.160 120.300 -0.112 0.000 2.081 548 Y HA -0.251 4.299 4.550 -0.001 0.000 0.280 548 Y C 2.039 177.847 175.900 -0.152 0.000 1.163 548 Y CA 2.093 60.090 58.100 -0.172 0.000 1.135 548 Y CB -0.382 37.889 38.460 -0.314 0.000 0.970 548 Y HN 0.208 nan 8.280 nan 0.000 0.498 549 L N 0.925 122.132 121.223 -0.027 0.000 2.079 549 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 549 L C 2.325 179.230 176.870 0.058 0.000 1.081 549 L CA 1.878 56.735 54.840 0.029 0.000 0.752 549 L CB -0.915 41.081 42.059 -0.105 0.000 0.896 549 L HN 0.378 nan 8.230 nan 0.000 0.433 550 E N -0.797 119.403 120.200 -0.000 0.000 2.046 550 E HA -0.203 4.147 4.350 -0.001 0.000 0.190 550 E C 2.214 178.802 176.600 -0.019 0.000 0.982 550 E CA 1.095 57.501 56.400 0.010 0.000 0.800 550 E CB -0.098 29.613 29.700 0.018 0.000 0.756 550 E HN 0.556 nan 8.360 nan 0.000 0.449 551 R N 0.857 121.315 120.500 -0.071 0.000 2.092 551 R HA -0.073 4.266 4.340 -0.001 0.000 0.231 551 R C 1.640 177.819 176.300 -0.203 0.000 1.119 551 R CA 1.131 57.163 56.100 -0.112 0.000 0.970 551 R CB -0.188 30.047 30.300 -0.109 0.000 0.864 551 R HN 0.022 nan 8.270 nan 0.000 0.440 552 E N 0.183 120.181 120.200 -0.337 0.000 2.250 552 E HA -0.044 4.305 4.350 -0.001 0.000 0.192 552 E C 0.711 176.919 176.600 -0.653 0.000 0.986 552 E CA 0.893 56.941 56.400 -0.587 0.000 0.849 552 E CB 0.183 29.289 29.700 -0.990 0.000 0.797 552 E HN 0.531 nan 8.360 nan 0.000 0.482 553 Y N -0.016 120.199 120.300 -0.141 0.000 2.527 553 Y HA 0.243 4.792 4.550 -0.001 0.000 0.247 553 Y C 0.468 176.351 175.900 -0.028 0.000 1.138 553 Y CA -0.448 57.611 58.100 -0.068 0.000 1.228 553 Y CB 0.660 39.084 38.460 -0.060 0.000 1.252 553 Y HN -0.191 nan 8.280 nan 0.000 0.531 554 K N -0.179 120.262 120.400 0.067 0.000 3.193 554 K HA -0.162 4.157 4.320 -0.001 0.000 0.294 554 K C -0.111 176.551 176.600 0.103 0.000 1.185 554 K CA 0.865 57.192 56.287 0.065 0.000 0.866 554 K CB -2.477 30.053 32.500 0.051 0.000 1.227 554 K HN 0.271 nan 8.250 nan 0.000 0.467 555 V N -1.944 118.028 119.914 0.097 0.000 2.834 555 V HA 0.407 4.527 4.120 -0.001 0.000 0.313 555 V C 0.640 176.791 176.094 0.095 0.000 1.060 555 V CA -0.952 61.398 62.300 0.084 0.000 0.989 555 V CB 2.056 33.888 31.823 0.016 0.000 1.041 555 V HN 0.250 nan 8.190 nan 0.000 0.459 556 H N 3.677 122.763 119.070 0.026 0.000 2.668 556 H HA 0.375 4.931 4.556 0.000 0.000 0.303 556 H C -1.201 174.141 175.328 0.023 0.000 1.074 556 H CA -0.618 55.447 56.048 0.028 0.000 1.406 556 H CB 1.165 30.945 29.762 0.031 0.000 1.442 556 H HN 0.496 nan 8.280 nan 0.000 0.482 557 I N 5.534 125.811 120.570 -0.490 0.000 2.307 557 I HA -0.028 4.141 4.170 -0.001 0.000 0.289 557 I C 0.611 176.493 176.117 -0.390 0.000 1.021 557 I CA -0.718 60.393 61.300 -0.315 0.000 1.224 557 I CB 0.358 38.291 38.000 -0.111 0.000 1.376 557 I HN 0.592 nan 8.210 nan 0.000 0.470 558 N N 10.153 128.731 118.700 -0.204 0.000 2.427 558 N HA 0.096 4.835 4.740 -0.001 0.000 0.269 558 N C -1.716 173.840 175.510 0.077 0.000 1.235 558 N CA -1.303 51.721 53.050 -0.042 0.000 0.934 558 N CB 0.918 39.422 38.487 0.028 0.000 1.121 558 N HN 0.313 nan 8.380 nan 0.000 0.480 559 P HA 0.080 nan 4.420 nan 0.000 0.255 559 P C -0.407 176.878 177.300 -0.024 0.000 1.248 559 P CA 0.611 63.756 63.100 0.075 0.000 0.807 559 P CB 0.173 31.899 31.700 0.043 0.000 1.150 560 N N -0.382 118.330 118.700 0.021 0.000 2.238 560 N HA 0.059 4.798 4.740 -0.001 0.000 0.222 560 N C 0.062 175.610 175.510 0.065 0.000 1.133 560 N CA -0.232 52.830 53.050 0.019 0.000 0.854 560 N CB 0.329 38.834 38.487 0.029 0.000 1.041 560 N HN 0.103 nan 8.380 nan 0.000 0.510 561 S N -0.137 115.600 115.700 0.063 0.000 2.646 561 S HA 0.303 4.772 4.470 -0.001 0.000 0.276 561 S C 0.024 174.591 174.600 -0.055 0.000 1.222 561 S CA -0.896 57.315 58.200 0.018 0.000 1.014 561 S CB 1.406 64.634 63.200 0.047 0.000 0.991 561 S HN 0.163 nan 8.310 nan 0.000 0.533 562 L N 2.460 123.453 121.223 -0.382 0.000 2.477 562 L HA 0.245 4.585 4.340 -0.001 0.000 0.272 562 L C -0.948 175.900 176.870 -0.036 0.000 1.157 562 L CA -0.377 54.094 54.840 -0.615 0.000 0.889 562 L CB -0.248 41.243 42.059 -0.947 0.000 1.158 562 L HN 0.639 nan 8.230 nan 0.000 0.473 563 F N 3.755 123.571 119.950 -0.223 0.000 2.434 563 F HA 0.158 4.684 4.527 -0.002 0.000 0.358 563 F C 0.542 176.268 175.800 -0.124 0.000 1.136 563 F CA -0.839 57.090 58.000 -0.119 0.000 1.157 563 F CB 0.110 39.083 39.000 -0.045 0.000 1.167 563 F HN 0.390 nan 8.300 nan 0.000 0.539 564 D N 4.092 124.472 120.400 -0.033 0.000 2.373 564 D HA 0.383 5.023 4.640 -0.001 0.000 0.227 564 D C -1.091 175.136 176.300 -0.122 0.000 1.091 564 D CA -0.088 53.854 54.000 -0.096 0.000 0.840 564 D CB 1.245 41.973 40.800 -0.120 0.000 1.060 564 D HN 0.157 nan 8.370 nan 0.000 0.502 565 V N 4.431 124.259 119.914 -0.143 0.000 2.487 565 V HA 0.374 4.494 4.120 -0.001 0.000 0.298 565 V C -0.188 175.756 176.094 -0.249 0.000 1.028 565 V CA -0.822 61.381 62.300 -0.162 0.000 0.860 565 V CB 1.744 33.545 31.823 -0.038 0.000 0.991 565 V HN 0.509 nan 8.190 nan 0.000 0.427 566 Q N 3.830 123.504 119.800 -0.211 0.000 2.320 566 Q HA 0.663 5.002 4.340 -0.001 0.000 0.268 566 Q C -1.396 174.452 176.000 -0.253 0.000 1.023 566 Q CA -0.541 55.130 55.803 -0.219 0.000 0.744 566 Q CB 2.030 30.669 28.738 -0.166 0.000 1.246 566 Q HN 0.790 nan 8.270 nan 0.000 0.462 567 V N 2.404 122.164 119.914 -0.257 0.000 2.385 567 V HA 0.694 4.814 4.120 -0.001 0.000 0.277 567 V C -0.896 175.006 176.094 -0.319 0.000 1.012 567 V CA -0.652 61.352 62.300 -0.494 0.000 0.832 567 V CB 0.726 31.991 31.823 -0.929 0.000 1.028 567 V HN 0.718 nan 8.190 nan 0.000 0.436 568 K N 3.145 123.414 120.400 -0.219 0.000 2.466 568 K HA 0.562 4.881 4.320 -0.001 0.000 0.277 568 K C -0.537 176.057 176.600 -0.011 0.000 1.039 568 K CA -1.057 55.196 56.287 -0.057 0.000 0.904 568 K CB 2.275 34.740 32.500 -0.059 0.000 1.506 568 K HN 0.763 nan 8.250 nan 0.000 0.441 569 R N 0.543 121.072 120.500 0.049 0.000 2.734 569 R HA 0.171 4.510 4.340 -0.001 0.000 0.266 569 R C -0.119 176.206 176.300 0.041 0.000 1.044 569 R CA -0.453 55.700 56.100 0.088 0.000 1.128 569 R CB 0.188 30.563 30.300 0.126 0.000 1.010 569 R HN 0.453 nan 8.270 nan 0.000 0.461 570 I N 4.177 124.796 120.570 0.081 0.000 2.347 570 I HA 0.154 4.323 4.170 -0.001 0.000 0.294 570 I C 0.332 176.449 176.117 -0.000 0.000 1.090 570 I CA 0.392 61.704 61.300 0.021 0.000 1.314 570 I CB -0.594 37.425 38.000 0.032 0.000 1.423 570 I HN 0.669 nan 8.210 nan 0.000 0.503 571 H N 4.725 123.706 119.070 -0.149 0.000 2.941 571 H HA 0.314 4.869 4.556 -0.001 0.000 0.344 571 H C 0.309 175.532 175.328 -0.176 0.000 1.235 571 H CA -0.422 55.568 56.048 -0.097 0.000 1.149 571 H CB 2.241 31.851 29.762 -0.254 0.000 1.885 571 H HN 0.508 nan 8.280 nan 0.000 0.558 572 E N 0.624 120.937 120.200 0.189 0.000 2.076 572 E HA -0.152 4.197 4.350 -0.001 0.000 0.190 572 E C 1.475 177.942 176.600 -0.221 0.000 0.979 572 E CA 1.118 57.586 56.400 0.113 0.000 0.807 572 E CB -0.026 29.916 29.700 0.403 0.000 0.761 572 E HN 0.554 nan 8.360 nan 0.000 0.454 573 Y N 0.414 120.324 120.300 -0.649 0.000 2.509 573 Y HA 0.047 4.597 4.550 -0.001 0.000 0.293 573 Y C 1.567 177.203 175.900 -0.440 0.000 1.133 573 Y CA 0.586 57.995 58.100 -1.151 0.000 1.283 573 Y CB 0.062 37.706 38.460 -1.360 0.000 1.001 573 Y HN -0.211 nan 8.280 nan 0.000 0.555 574 K N 0.659 120.672 120.400 -0.646 0.000 2.400 574 K HA 0.139 4.459 4.320 -0.001 0.000 0.194 574 K C 0.386 176.856 176.600 -0.216 0.000 1.033 574 K CA 0.238 56.263 56.287 -0.437 0.000 1.021 574 K CB 0.084 32.296 32.500 -0.481 0.000 0.808 574 K HN 0.204 nan 8.250 nan 0.000 0.505 575 R N 0.450 120.848 120.500 -0.169 0.000 3.758 575 R HA -0.201 4.138 4.340 -0.001 0.000 0.299 575 R C 0.823 177.068 176.300 -0.091 0.000 1.182 575 R CA 0.765 56.808 56.100 -0.096 0.000 0.809 575 R CB -1.552 28.698 30.300 -0.083 0.000 1.249 575 R HN 0.353 nan 8.270 nan 0.000 0.497 576 Q N 0.252 119.996 119.800 -0.093 0.000 2.376 576 Q HA -0.184 4.155 4.340 -0.001 0.000 0.211 576 Q C 1.642 177.612 176.000 -0.051 0.000 0.986 576 Q CA 1.378 57.139 55.803 -0.070 0.000 0.886 576 Q CB -0.137 28.567 28.738 -0.057 0.000 0.927 576 Q HN 0.620 nan 8.270 nan 0.000 0.457 577 L N -0.000 121.196 121.223 -0.045 0.000 2.093 577 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 577 L C 2.338 179.223 176.870 0.025 0.000 1.085 577 L CA 0.525 55.351 54.840 -0.023 0.000 0.755 577 L CB -0.394 41.662 42.059 -0.005 0.000 0.904 577 L HN 0.202 nan 8.230 nan 0.000 0.435 578 L N 0.237 121.469 121.223 0.015 0.000 2.042 578 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 578 L C 2.043 178.976 176.870 0.106 0.000 1.076 578 L CA 1.964 56.818 54.840 0.024 0.000 0.749 578 L CB -0.824 41.139 42.059 -0.159 0.000 0.893 578 L HN 0.277 nan 8.230 nan 0.000 0.432 579 N N -1.591 117.144 118.700 0.059 0.000 2.069 579 N HA -0.255 4.484 4.740 -0.001 0.000 0.191 579 N C 1.943 177.542 175.510 0.148 0.000 1.031 579 N CA 1.790 54.956 53.050 0.193 0.000 0.852 579 N CB -0.168 38.362 38.487 0.072 0.000 1.018 579 N HN 0.507 nan 8.380 nan 0.000 0.423 580 C N 0.591 119.911 119.300 0.033 0.000 2.403 580 C HA -0.096 4.364 4.460 -0.001 0.000 0.277 580 C C 2.586 177.564 174.990 -0.020 0.000 1.248 580 C CA 0.405 59.392 59.018 -0.052 0.000 1.762 580 C CB -1.274 26.385 27.740 -0.134 0.000 2.014 580 C HN 0.502 nan 8.230 nan 0.000 0.486 581 L N -0.384 120.892 121.223 0.089 0.000 2.056 581 L HA -0.175 4.165 4.340 -0.001 0.000 0.207 581 L C 2.786 179.803 176.870 0.246 0.000 1.078 581 L CA 1.782 56.715 54.840 0.156 0.000 0.749 581 L CB -1.043 41.169 42.059 0.254 0.000 0.901 581 L HN 0.591 nan 8.230 nan 0.000 0.433 582 H N 0.046 119.223 119.070 0.180 0.000 2.326 582 H HA -0.127 4.428 4.556 -0.001 0.000 0.301 582 H C 2.211 177.529 175.328 -0.016 0.000 1.081 582 H CA 1.860 57.936 56.048 0.046 0.000 1.334 582 H CB 0.266 29.985 29.762 -0.072 0.000 1.385 582 H HN 0.084 nan 8.280 nan 0.000 0.504 583 V N 1.647 121.449 119.914 -0.186 0.000 2.282 583 V HA -0.288 3.831 4.120 -0.001 0.000 0.249 583 V C 2.827 178.829 176.094 -0.154 0.000 1.057 583 V CA 2.068 64.223 62.300 -0.243 0.000 1.032 583 V CB -0.535 31.202 31.823 -0.142 0.000 0.645 583 V HN 0.388 nan 8.190 nan 0.000 0.447 584 I N -0.501 120.021 120.570 -0.081 0.000 2.439 584 I HA -0.172 3.998 4.170 -0.001 0.000 0.251 584 I C 2.476 178.645 176.117 0.087 0.000 1.139 584 I CA 1.384 62.706 61.300 0.037 0.000 1.438 584 I CB -0.683 37.315 38.000 -0.004 0.000 1.085 584 I HN 0.290 nan 8.210 nan 0.000 0.427 585 T N 1.381 115.945 114.554 0.016 0.000 2.622 585 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 585 T C 1.897 176.557 174.700 -0.066 0.000 1.047 585 T CA 1.416 63.521 62.100 0.007 0.000 1.159 585 T CB -0.310 68.586 68.868 0.047 0.000 0.863 585 T HN 0.078 nan 8.240 nan 0.000 0.422 586 L N 0.167 121.278 121.223 -0.187 0.000 2.013 586 L HA -0.105 4.234 4.340 -0.001 0.000 0.212 586 L C 2.149 178.976 176.870 -0.071 0.000 1.073 586 L CA 1.696 56.423 54.840 -0.188 0.000 0.753 586 L CB -1.135 40.734 42.059 -0.316 0.000 0.890 586 L HN 0.338 nan 8.230 nan 0.000 0.432 587 Y N 0.777 121.006 120.300 -0.118 0.000 2.081 587 Y HA -0.330 4.220 4.550 -0.001 0.000 0.280 587 Y C 2.431 178.305 175.900 -0.044 0.000 1.163 587 Y CA 2.090 60.162 58.100 -0.048 0.000 1.135 587 Y CB -0.398 38.080 38.460 0.030 0.000 0.970 587 Y HN 0.312 nan 8.280 nan 0.000 0.498 588 N N 0.227 118.891 118.700 -0.060 0.000 2.289 588 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 588 N C 1.812 177.217 175.510 -0.174 0.000 1.016 588 N CA 1.372 54.326 53.050 -0.160 0.000 0.872 588 N CB -0.306 38.149 38.487 -0.054 0.000 0.973 588 N HN 0.477 nan 8.380 nan 0.000 0.433 589 R N 0.097 120.513 120.500 -0.140 0.000 2.075 589 R HA 0.184 4.523 4.340 -0.001 0.000 0.226 589 R C 2.048 178.261 176.300 -0.144 0.000 1.114 589 R CA 0.597 56.622 56.100 -0.125 0.000 0.972 589 R CB -0.115 30.122 30.300 -0.106 0.000 0.869 589 R HN 0.206 nan 8.270 nan 0.000 0.437 590 I N 0.635 121.101 120.570 -0.174 0.000 2.394 590 I HA -0.195 3.975 4.170 -0.001 0.000 0.251 590 I C 2.117 178.111 176.117 -0.205 0.000 1.136 590 I CA 1.022 62.219 61.300 -0.172 0.000 1.425 590 I CB -0.015 37.890 38.000 -0.158 0.000 1.079 590 I HN -0.051 nan 8.210 nan 0.000 0.425 591 K N 0.978 121.192 120.400 -0.310 0.000 2.288 591 K HA -0.099 4.220 4.320 -0.001 0.000 0.201 591 K C 1.975 178.461 176.600 -0.190 0.000 1.048 591 K CA 1.130 57.227 56.287 -0.318 0.000 0.956 591 K CB 0.052 32.236 32.500 -0.527 0.000 0.746 591 K HN 0.101 nan 8.250 nan 0.000 0.461 592 K N -0.120 120.183 120.400 -0.160 0.000 2.141 592 K HA 0.058 4.378 4.320 -0.001 0.000 0.202 592 K C -0.348 176.202 176.600 -0.083 0.000 1.045 592 K CA 0.830 57.051 56.287 -0.109 0.000 0.971 592 K CB 0.487 32.928 32.500 -0.099 0.000 0.795 592 K HN -0.035 nan 8.250 nan 0.000 0.459 593 E N 0.528 120.677 120.200 -0.085 0.000 3.108 593 E HA 0.102 4.452 4.350 -0.001 0.000 0.228 593 E C -2.234 174.328 176.600 -0.064 0.000 1.176 593 E CA -1.523 54.840 56.400 -0.061 0.000 0.881 593 E CB 1.685 31.356 29.700 -0.048 0.000 1.354 593 E HN 0.113 nan 8.360 nan 0.000 0.400 594 P HA -0.130 nan 4.420 nan 0.000 0.221 594 P C 0.507 177.789 177.300 -0.031 0.000 1.150 594 P CA 0.909 63.975 63.100 -0.057 0.000 0.800 594 P CB 0.396 32.065 31.700 -0.050 0.000 0.787 595 N N 0.162 118.851 118.700 -0.017 0.000 2.459 595 N HA -0.079 4.660 4.740 -0.001 0.000 0.181 595 N C 0.959 176.483 175.510 0.024 0.000 1.046 595 N CA 0.599 53.652 53.050 0.004 0.000 0.904 595 N CB -0.181 38.307 38.487 0.002 0.000 0.964 595 N HN 0.345 nan 8.380 nan 0.000 0.444 596 K N 0.818 121.225 120.400 0.011 0.000 2.276 596 K HA 0.046 4.365 4.320 -0.001 0.000 0.283 596 K C -0.524 176.108 176.600 0.055 0.000 1.044 596 K CA -0.482 55.826 56.287 0.035 0.000 0.944 596 K CB 0.469 32.971 32.500 0.005 0.000 1.012 596 K HN -0.181 nan 8.250 nan 0.000 0.472 597 F N 4.686 124.622 119.950 -0.023 0.000 2.529 597 F HA 0.225 4.750 4.527 -0.003 0.000 0.365 597 F C -0.749 175.035 175.800 -0.027 0.000 1.102 597 F CA 0.156 58.144 58.000 -0.021 0.000 1.271 597 F CB 0.680 39.671 39.000 -0.016 0.000 1.120 597 F HN 0.156 nan 8.300 nan 0.000 0.579 598 V N 6.352 125.599 119.914 -1.111 0.000 2.925 598 V HA 0.324 4.443 4.120 -0.001 0.000 0.311 598 V C -1.022 174.384 176.094 -1.147 0.000 1.104 598 V CA -1.010 60.773 62.300 -0.862 0.000 0.954 598 V CB 2.341 33.917 31.823 -0.412 0.000 1.022 598 V HN 0.571 nan 8.190 nan 0.000 0.427 599 V N 7.007 126.549 119.914 -0.620 0.000 2.439 599 V HA 0.231 4.351 4.120 -0.001 0.000 0.271 599 V C -1.918 174.005 176.094 -0.285 0.000 1.040 599 V CA -1.206 60.889 62.300 -0.342 0.000 1.002 599 V CB 0.827 32.574 31.823 -0.126 0.000 1.000 599 V HN 0.741 nan 8.190 nan 0.000 0.477 600 P HA 0.318 nan 4.420 nan 0.000 0.271 600 P C -0.554 176.637 177.300 -0.181 0.000 1.216 600 P CA -0.200 62.800 63.100 -0.165 0.000 0.776 600 P CB 0.816 32.465 31.700 -0.085 0.000 0.881 601 R N 0.714 121.119 120.500 -0.158 0.000 2.686 601 R HA 0.554 4.894 4.340 -0.001 0.000 0.283 601 R C -0.571 175.658 176.300 -0.118 0.000 0.978 601 R CA -0.609 55.394 56.100 -0.161 0.000 0.897 601 R CB 1.832 32.025 30.300 -0.179 0.000 1.192 601 R HN 0.298 nan 8.270 nan 0.000 0.457 602 T N 1.868 116.354 114.554 -0.114 0.000 2.947 602 T HA 0.139 4.488 4.350 -0.001 0.000 0.337 602 T C -0.538 174.027 174.700 -0.224 0.000 1.139 602 T CA -0.489 61.495 62.100 -0.195 0.000 0.992 602 T CB 0.923 69.591 68.868 -0.333 0.000 1.043 602 T HN 0.325 nan 8.240 nan 0.000 0.498 603 V N 5.858 125.664 119.914 -0.180 0.000 2.455 603 V HA 0.556 4.675 4.120 -0.001 0.000 0.273 603 V C -0.380 175.603 176.094 -0.185 0.000 1.045 603 V CA -0.286 61.918 62.300 -0.160 0.000 0.976 603 V CB 0.280 32.036 31.823 -0.112 0.000 0.993 603 V HN 0.850 nan 8.190 nan 0.000 0.475 604 M N 7.831 127.313 119.600 -0.197 0.000 2.125 604 M HA 0.566 5.046 4.480 -0.001 0.000 0.321 604 M C -0.856 175.317 176.300 -0.210 0.000 0.983 604 M CA -0.153 55.018 55.300 -0.215 0.000 0.934 604 M CB 1.784 34.254 32.600 -0.217 0.000 1.542 604 M HN 0.518 nan 8.290 nan 0.000 0.424 605 I N 1.912 122.345 120.570 -0.228 0.000 2.493 605 I HA 0.852 5.022 4.170 -0.001 0.000 0.298 605 I C 0.343 176.116 176.117 -0.574 0.000 0.998 605 I CA -0.618 60.523 61.300 -0.265 0.000 1.137 605 I CB 2.145 40.091 38.000 -0.089 0.000 1.310 605 I HN 0.755 nan 8.210 nan 0.000 0.445 606 G N 2.664 111.115 108.800 -0.581 0.000 2.704 606 G HA2 0.787 4.746 3.960 -0.001 0.000 0.293 606 G HA3 0.787 4.746 3.960 -0.001 0.000 0.293 606 G C -1.051 173.580 174.900 -0.448 0.000 1.421 606 G CA -0.627 44.020 45.100 -0.756 0.000 0.870 606 G HN 1.000 nan 8.290 nan 0.000 0.492 607 G N -0.371 108.313 108.800 -0.193 0.000 2.337 607 G HA2 0.398 4.358 3.960 -0.001 0.000 0.310 607 G HA3 0.398 4.358 3.960 -0.001 0.000 0.310 607 G C -1.358 173.696 174.900 0.257 0.000 1.534 607 G CA -1.063 44.087 45.100 0.082 0.000 0.982 607 G HN 0.593 nan 8.290 nan 0.000 0.672 608 K N 0.148 120.708 120.400 0.266 0.000 2.156 608 K HA 0.698 5.017 4.320 -0.001 0.000 0.271 608 K C 0.310 177.088 176.600 0.297 0.000 0.995 608 K CA -0.218 56.263 56.287 0.324 0.000 0.890 608 K CB 2.070 34.735 32.500 0.276 0.000 1.073 608 K HN 0.847 nan 8.250 nan 0.000 0.454 609 A N 1.962 124.961 122.820 0.297 0.000 2.301 609 A HA 0.540 4.859 4.320 -0.001 0.000 0.298 609 A C -0.107 177.635 177.584 0.264 0.000 1.185 609 A CA -0.622 51.530 52.037 0.191 0.000 0.830 609 A CB 0.633 19.671 19.000 0.063 0.000 1.112 609 A HN 0.806 nan 8.150 nan 0.000 0.508 610 A N 4.232 127.225 122.820 0.288 0.000 2.546 610 A HA 0.497 4.816 4.320 -0.001 0.000 0.243 610 A C -2.359 175.330 177.584 0.175 0.000 1.063 610 A CA -0.811 51.396 52.037 0.284 0.000 0.757 610 A CB -0.659 18.532 19.000 0.318 0.000 0.991 610 A HN 0.588 nan 8.150 nan 0.000 0.503 611 P HA 0.335 nan 4.420 nan 0.000 0.271 611 P C 1.123 178.468 177.300 0.075 0.000 1.220 611 P CA 1.452 64.539 63.100 -0.022 0.000 0.768 611 P CB 0.960 32.584 31.700 -0.127 0.000 0.848 612 G N 2.560 111.411 108.800 0.086 0.000 2.358 612 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.224 612 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.224 612 G C -0.072 174.952 174.900 0.207 0.000 1.073 612 G CA -0.422 44.747 45.100 0.115 0.000 0.635 612 G HN 0.523 nan 8.290 nan 0.000 0.509 613 Y N 3.772 124.111 120.300 0.064 0.000 2.730 613 Y HA 0.301 4.851 4.550 -0.001 0.000 0.357 613 Y C 1.614 177.567 175.900 0.088 0.000 1.167 613 Y CA 0.106 58.242 58.100 0.060 0.000 1.579 613 Y CB -0.730 37.742 38.460 0.020 0.000 1.262 613 Y HN 0.494 nan 8.280 nan 0.000 0.510 614 H N 4.180 123.425 119.070 0.291 0.000 2.326 614 H HA -0.177 4.378 4.556 -0.001 0.000 0.301 614 H C 1.776 177.130 175.328 0.044 0.000 1.081 614 H CA 1.817 57.943 56.048 0.131 0.000 1.334 614 H CB 0.401 30.238 29.762 0.125 0.000 1.385 614 H HN 0.668 nan 8.280 nan 0.000 0.504 615 M N 0.992 120.526 119.600 -0.109 0.000 2.065 615 M HA -0.127 4.352 4.480 -0.001 0.000 0.259 615 M C 2.657 178.692 176.300 -0.443 0.000 1.069 615 M CA 1.908 57.053 55.300 -0.258 0.000 1.110 615 M CB -0.472 32.110 32.600 -0.030 0.000 1.328 615 M HN 0.349 nan 8.290 nan 0.000 0.405 616 A N 0.003 122.290 122.820 -0.889 0.000 1.903 616 A HA -0.293 4.026 4.320 -0.001 0.000 0.219 616 A C 2.170 179.567 177.584 -0.311 0.000 1.191 616 A CA 2.427 54.042 52.037 -0.704 0.000 0.638 616 A CB -0.892 17.544 19.000 -0.941 0.000 0.823 616 A HN 0.608 nan 8.150 nan 0.000 0.451 617 K N -1.426 118.849 120.400 -0.208 0.000 2.097 617 K HA -0.101 4.219 4.320 -0.001 0.000 0.206 617 K C 2.078 178.673 176.600 -0.007 0.000 1.049 617 K CA 1.447 57.714 56.287 -0.033 0.000 0.933 617 K CB -0.230 32.321 32.500 0.086 0.000 0.717 617 K HN 0.395 nan 8.250 nan 0.000 0.442 618 M N 0.430 119.974 119.600 -0.094 0.000 2.175 618 M HA -0.090 4.390 4.480 -0.001 0.000 0.264 618 M C 2.149 178.401 176.300 -0.080 0.000 1.063 618 M CA 1.398 56.675 55.300 -0.038 0.000 1.119 618 M CB -0.602 31.947 32.600 -0.085 0.000 1.377 618 M HN 0.146 nan 8.290 nan 0.000 0.415 619 I N 0.053 120.532 120.570 -0.151 0.000 2.226 619 I HA -0.321 3.849 4.170 -0.001 0.000 0.245 619 I C 2.284 178.273 176.117 -0.213 0.000 1.100 619 I CA 1.162 62.360 61.300 -0.171 0.000 1.374 619 I CB -0.312 37.589 38.000 -0.165 0.000 1.057 619 I HN 0.195 nan 8.210 nan 0.000 0.413 620 I N 0.555 120.969 120.570 -0.260 0.000 2.179 620 I HA -0.306 3.863 4.170 -0.001 0.000 0.242 620 I C 2.617 178.440 176.117 -0.490 0.000 1.088 620 I CA 1.233 62.238 61.300 -0.491 0.000 1.357 620 I CB -0.426 37.238 38.000 -0.560 0.000 1.051 620 I HN 0.148 nan 8.210 nan 0.000 0.409 621 K N 1.442 121.597 120.400 -0.408 0.000 2.063 621 K HA -0.221 4.099 4.320 -0.001 0.000 0.208 621 K C 1.984 178.454 176.600 -0.216 0.000 1.048 621 K CA 1.616 57.616 56.287 -0.478 0.000 0.928 621 K CB -0.674 31.344 32.500 -0.803 0.000 0.713 621 K HN 0.116 nan 8.250 nan 0.000 0.442 622 L N 0.659 121.777 121.223 -0.174 0.000 1.989 622 L HA -0.108 4.232 4.340 -0.001 0.000 0.211 622 L C 2.090 178.736 176.870 -0.373 0.000 1.071 622 L CA 1.734 56.302 54.840 -0.454 0.000 0.749 622 L CB -0.530 41.168 42.059 -0.602 0.000 0.890 622 L HN 0.294 nan 8.230 nan 0.000 0.431 623 I N -0.786 119.610 120.570 -0.290 0.000 2.127 623 I HA -0.369 3.800 4.170 -0.001 0.000 0.241 623 I C 2.498 178.511 176.117 -0.175 0.000 1.075 623 I CA 2.026 63.205 61.300 -0.201 0.000 1.334 623 I CB -0.883 37.082 38.000 -0.059 0.000 1.040 623 I HN 0.509 nan 8.210 nan 0.000 0.405 624 T N -0.736 113.694 114.554 -0.206 0.000 2.746 624 T HA -0.150 4.199 4.350 -0.001 0.000 0.267 624 T C 2.006 176.643 174.700 -0.104 0.000 1.039 624 T CA 1.051 63.066 62.100 -0.142 0.000 1.142 624 T CB -0.700 68.053 68.868 -0.192 0.000 0.866 624 T HN 0.355 nan 8.240 nan 0.000 0.444 625 A N 1.470 124.226 122.820 -0.107 0.000 1.933 625 A HA 0.099 4.419 4.320 -0.001 0.000 0.218 625 A C 2.383 179.969 177.584 0.003 0.000 1.175 625 A CA 1.402 53.436 52.037 -0.004 0.000 0.628 625 A CB -0.847 18.244 19.000 0.151 0.000 0.814 625 A HN 0.619 nan 8.150 nan 0.000 0.444 626 I N -0.401 120.072 120.570 -0.161 0.000 2.202 626 I HA -0.161 4.009 4.170 -0.001 0.000 0.242 626 I C 2.745 178.797 176.117 -0.108 0.000 1.091 626 I CA 0.972 62.145 61.300 -0.213 0.000 1.368 626 I CB -0.758 36.981 38.000 -0.435 0.000 1.058 626 I HN 0.373 nan 8.210 nan 0.000 0.410 627 G N 1.009 109.742 108.800 -0.112 0.000 2.553 627 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.218 627 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.218 627 G C 1.231 176.074 174.900 -0.095 0.000 1.195 627 G CA 1.454 46.494 45.100 -0.101 0.000 0.779 627 G HN 0.300 nan 8.290 nan 0.000 0.577 628 D N -0.120 120.269 120.400 -0.020 0.000 2.158 628 D HA -0.096 4.544 4.640 -0.001 0.000 0.197 628 D C 2.670 179.023 176.300 0.089 0.000 0.995 628 D CA 0.918 54.962 54.000 0.074 0.000 0.846 628 D CB -0.371 40.480 40.800 0.085 0.000 0.941 628 D HN 0.271 nan 8.370 nan 0.000 0.456 629 V N 0.509 120.435 119.914 0.019 0.000 2.379 629 V HA -0.130 3.989 4.120 -0.001 0.000 0.243 629 V C 2.595 178.665 176.094 -0.040 0.000 1.035 629 V CA 1.373 63.655 62.300 -0.029 0.000 1.035 629 V CB -0.194 31.569 31.823 -0.100 0.000 0.673 629 V HN 0.189 nan 8.190 nan 0.000 0.457 630 V N -0.663 119.189 119.914 -0.102 0.000 2.488 630 V HA -0.070 4.049 4.120 -0.001 0.000 0.246 630 V C 1.950 178.018 176.094 -0.044 0.000 1.046 630 V CA 2.020 64.288 62.300 -0.053 0.000 1.053 630 V CB -0.945 30.820 31.823 -0.095 0.000 0.679 630 V HN 0.509 nan 8.190 nan 0.000 0.458 631 N N 0.612 119.199 118.700 -0.189 0.000 2.520 631 N HA -0.056 4.683 4.740 -0.001 0.000 0.185 631 N C 1.093 176.360 175.510 -0.406 0.000 1.068 631 N CA 1.571 54.424 53.050 -0.329 0.000 0.911 631 N CB -0.513 37.692 38.487 -0.470 0.000 0.961 631 N HN 0.832 nan 8.380 nan 0.000 0.446 632 H N -1.867 117.224 119.070 0.035 0.000 2.785 632 H HA 0.201 4.756 4.556 -0.002 0.000 0.268 632 H C -0.596 174.758 175.328 0.042 0.000 1.153 632 H CA -0.548 55.518 56.048 0.031 0.000 1.111 632 H CB 0.732 30.501 29.762 0.012 0.000 1.633 632 H HN -0.044 nan 8.280 nan 0.000 0.576 633 D N 1.867 122.351 120.400 0.139 0.000 2.316 633 D HA 0.046 4.686 4.640 -0.001 0.000 0.245 633 D C -1.641 174.721 176.300 0.104 0.000 1.171 633 D CA -2.183 51.904 54.000 0.145 0.000 0.856 633 D CB 1.688 42.633 40.800 0.242 0.000 1.090 633 D HN 0.116 nan 8.370 nan 0.000 0.476 634 P HA -0.096 nan 4.420 nan 0.000 0.221 634 P C 1.530 178.852 177.300 0.037 0.000 1.150 634 P CA 0.334 63.466 63.100 0.053 0.000 0.800 634 P CB 0.415 32.139 31.700 0.040 0.000 0.787 635 V N -0.509 119.426 119.914 0.035 0.000 2.427 635 V HA -0.181 3.939 4.120 -0.001 0.000 0.248 635 V C 2.450 178.544 176.094 0.002 0.000 1.051 635 V CA 1.585 63.890 62.300 0.008 0.000 1.048 635 V CB -1.221 30.593 31.823 -0.014 0.000 0.666 635 V HN -0.019 nan 8.190 nan 0.000 0.456 636 V N 0.014 119.944 119.914 0.027 0.000 2.358 636 V HA 0.066 4.185 4.120 -0.001 0.000 0.246 636 V C 1.815 177.921 176.094 0.019 0.000 1.047 636 V CA 1.664 63.980 62.300 0.026 0.000 1.035 636 V CB -1.435 30.440 31.823 0.087 0.000 0.658 636 V HN 0.769 nan 8.190 nan 0.000 0.452 637 G N 1.413 110.233 108.800 0.033 0.000 2.550 637 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.277 637 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.277 637 G C 0.110 175.041 174.900 0.053 0.000 1.190 637 G CA 0.503 45.625 45.100 0.037 0.000 0.971 637 G HN 0.727 nan 8.290 nan 0.000 0.559 638 D N -0.260 120.181 120.400 0.067 0.000 2.427 638 D HA 0.407 5.046 4.640 -0.001 0.000 0.224 638 D C 1.753 178.069 176.300 0.028 0.000 1.157 638 D CA -0.019 54.032 54.000 0.086 0.000 0.828 638 D CB 0.356 41.270 40.800 0.191 0.000 0.974 638 D HN 0.463 nan 8.370 nan 0.000 0.498 639 R N -0.182 120.316 120.500 -0.003 0.000 2.148 639 R HA 0.296 4.635 4.340 -0.001 0.000 0.223 639 R C 0.188 176.447 176.300 -0.067 0.000 1.088 639 R CA 0.595 56.664 56.100 -0.052 0.000 0.985 639 R CB 0.246 30.496 30.300 -0.084 0.000 0.880 639 R HN 0.260 nan 8.270 nan 0.000 0.451 640 L N 0.619 121.817 121.223 -0.042 0.000 2.464 640 L HA 0.489 4.828 4.340 -0.001 0.000 0.266 640 L C -1.311 175.527 176.870 -0.052 0.000 0.965 640 L CA -0.873 53.934 54.840 -0.055 0.000 0.833 640 L CB 1.668 43.708 42.059 -0.032 0.000 1.296 640 L HN 0.016 nan 8.230 nan 0.000 0.405 641 R N 3.584 124.032 120.500 -0.087 0.000 2.574 641 R HA 0.552 4.891 4.340 -0.001 0.000 0.288 641 R C -1.457 174.761 176.300 -0.135 0.000 1.004 641 R CA -0.701 55.334 56.100 -0.109 0.000 0.895 641 R CB 2.422 32.650 30.300 -0.119 0.000 1.191 641 R HN 0.295 nan 8.270 nan 0.000 0.444 642 V N 5.030 124.863 119.914 -0.135 0.000 2.357 642 V HA 0.462 4.582 4.120 -0.001 0.000 0.284 642 V C -0.029 175.980 176.094 -0.142 0.000 1.018 642 V CA -0.642 61.575 62.300 -0.137 0.000 0.841 642 V CB 1.658 33.405 31.823 -0.127 0.000 0.991 642 V HN 0.486 nan 8.190 nan 0.000 0.437 643 I N 4.930 125.396 120.570 -0.175 0.000 2.436 643 I HA 0.395 4.565 4.170 -0.001 0.000 0.289 643 I C -0.605 175.408 176.117 -0.174 0.000 1.010 643 I CA -0.673 60.486 61.300 -0.235 0.000 1.098 643 I CB 1.807 39.563 38.000 -0.407 0.000 1.266 643 I HN 0.531 nan 8.210 nan 0.000 0.434 644 F N 6.826 126.644 119.950 -0.220 0.000 2.404 644 F HA 0.408 4.934 4.527 -0.001 0.000 0.358 644 F C 0.001 175.740 175.800 -0.103 0.000 1.120 644 F CA -0.463 57.461 58.000 -0.127 0.000 1.144 644 F CB 0.692 39.663 39.000 -0.048 0.000 1.133 644 F HN 0.249 nan 8.300 nan 0.000 0.495 645 L N 6.199 127.094 121.223 -0.548 0.000 2.407 645 L HA 0.140 4.479 4.340 -0.001 0.000 0.282 645 L C 0.516 177.369 176.870 -0.028 0.000 1.110 645 L CA -0.058 54.662 54.840 -0.200 0.000 0.863 645 L CB 0.166 42.140 42.059 -0.142 0.000 1.207 645 L HN 0.625 nan 8.230 nan 0.000 0.454 646 E N 4.310 124.735 120.200 0.375 0.000 2.415 646 E HA -0.132 4.218 4.350 -0.001 0.000 0.263 646 E C 0.391 177.170 176.600 0.299 0.000 0.995 646 E CA -0.147 56.488 56.400 0.391 0.000 0.915 646 E CB 0.295 30.215 29.700 0.366 0.000 0.951 646 E HN 0.573 nan 8.360 nan 0.000 0.449 647 N N 3.224 122.097 118.700 0.288 0.000 2.708 647 N HA -0.282 4.457 4.740 -0.001 0.000 0.255 647 N C -1.577 174.054 175.510 0.202 0.000 1.046 647 N CA 0.533 53.720 53.050 0.227 0.000 0.715 647 N CB -1.537 37.062 38.487 0.187 0.000 0.895 647 N HN 0.496 nan 8.380 nan 0.000 0.545 648 Y N 1.812 122.156 120.300 0.072 0.000 2.632 648 Y HA 0.198 4.748 4.550 -0.001 0.000 0.329 648 Y C 1.147 177.077 175.900 0.050 0.000 1.174 648 Y CA 0.641 58.764 58.100 0.038 0.000 1.469 648 Y CB 0.343 38.800 38.460 -0.005 0.000 1.242 648 Y HN 0.420 nan 8.280 nan 0.000 0.540 649 R N 2.676 122.866 120.500 -0.517 0.000 2.829 649 R HA 0.381 4.721 4.340 -0.001 0.000 0.267 649 R C -0.424 175.503 176.300 -0.621 0.000 1.051 649 R CA -0.365 55.444 56.100 -0.485 0.000 0.927 649 R CB 0.211 30.414 30.300 -0.161 0.000 1.292 649 R HN 0.398 nan 8.270 nan 0.000 0.445 650 V N 1.252 120.793 119.914 -0.622 0.000 2.282 650 V HA -0.295 3.824 4.120 -0.001 0.000 0.249 650 V C 2.580 178.533 176.094 -0.236 0.000 1.057 650 V CA 2.910 64.940 62.300 -0.450 0.000 1.032 650 V CB -0.961 30.557 31.823 -0.509 0.000 0.645 650 V HN 0.890 nan 8.190 nan 0.000 0.447 651 S N -0.370 115.204 115.700 -0.209 0.000 2.402 651 S HA -0.118 4.351 4.470 -0.001 0.000 0.229 651 S C 2.025 176.577 174.600 -0.081 0.000 1.021 651 S CA 1.327 59.448 58.200 -0.131 0.000 0.974 651 S CB -0.515 62.628 63.200 -0.095 0.000 0.800 651 S HN 0.484 nan 8.310 nan 0.000 0.484 652 L N 1.077 122.250 121.223 -0.083 0.000 2.109 652 L HA 0.016 4.355 4.340 -0.001 0.000 0.207 652 L C 2.971 179.868 176.870 0.045 0.000 1.086 652 L CA 1.349 56.191 54.840 0.004 0.000 0.760 652 L CB -0.987 41.121 42.059 0.081 0.000 0.910 652 L HN 0.489 nan 8.230 nan 0.000 0.437 653 A N -0.155 122.661 122.820 -0.006 0.000 1.940 653 A HA -0.255 4.064 4.320 -0.001 0.000 0.219 653 A C 1.966 179.622 177.584 0.119 0.000 1.176 653 A CA 1.761 53.868 52.037 0.116 0.000 0.631 653 A CB -0.443 18.571 19.000 0.024 0.000 0.814 653 A HN 0.532 nan 8.150 nan 0.000 0.446 654 E N -0.545 119.722 120.200 0.111 0.000 2.268 654 E HA -0.127 4.222 4.350 -0.001 0.000 0.195 654 E C 1.885 178.480 176.600 -0.007 0.000 0.995 654 E CA 1.070 57.508 56.400 0.063 0.000 0.836 654 E CB -0.023 29.625 29.700 -0.087 0.000 0.763 654 E HN 0.616 nan 8.360 nan 0.000 0.491 655 K N -0.017 120.369 120.400 -0.024 0.000 2.166 655 K HA 0.022 4.341 4.320 -0.001 0.000 0.201 655 K C 2.095 178.535 176.600 -0.266 0.000 1.052 655 K CA 0.419 56.690 56.287 -0.027 0.000 0.969 655 K CB 0.187 32.730 32.500 0.073 0.000 0.761 655 K HN -0.036 nan 8.250 nan 0.000 0.459 656 V N 1.503 121.190 119.914 -0.379 0.000 2.535 656 V HA -0.092 4.028 4.120 -0.001 0.000 0.246 656 V C 1.836 177.705 176.094 -0.375 0.000 1.045 656 V CA 1.039 62.891 62.300 -0.747 0.000 1.058 656 V CB -0.090 31.428 31.823 -0.507 0.000 0.689 656 V HN 0.211 nan 8.190 nan 0.000 0.461 657 I N 0.858 121.271 120.570 -0.261 0.000 2.127 657 I HA -0.134 4.036 4.170 -0.001 0.000 0.241 657 I C -0.220 175.797 176.117 -0.167 0.000 1.075 657 I CA 1.770 62.863 61.300 -0.346 0.000 1.334 657 I CB -1.487 36.171 38.000 -0.570 0.000 1.040 657 I HN 0.359 nan 8.210 nan 0.000 0.405 658 P HA -0.136 nan 4.420 nan 0.000 0.221 658 P C 0.970 178.253 177.300 -0.028 0.000 1.145 658 P CA 1.356 64.430 63.100 -0.044 0.000 0.795 658 P CB -0.023 31.661 31.700 -0.026 0.000 0.775 659 A N -1.189 121.589 122.820 -0.070 0.000 2.251 659 A HA 0.438 4.758 4.320 -0.001 0.000 0.209 659 A C 1.143 178.793 177.584 0.111 0.000 1.187 659 A CA 0.123 52.152 52.037 -0.012 0.000 0.823 659 A CB -0.809 18.174 19.000 -0.028 0.000 0.846 659 A HN 0.204 nan 8.150 nan 0.000 0.486 660 A N -0.189 122.709 122.820 0.131 0.000 2.354 660 A HA 0.493 4.813 4.320 -0.001 0.000 0.269 660 A C 0.339 178.060 177.584 0.229 0.000 1.109 660 A CA -0.258 51.927 52.037 0.246 0.000 0.800 660 A CB 0.383 19.631 19.000 0.415 0.000 1.045 660 A HN 0.260 nan 8.150 nan 0.000 0.489 661 D N 0.694 121.235 120.400 0.236 0.000 2.431 661 D HA 0.136 4.776 4.640 -0.001 0.000 0.235 661 D C 0.106 176.615 176.300 0.348 0.000 0.980 661 D CA 0.784 54.975 54.000 0.319 0.000 0.912 661 D CB 0.242 41.155 40.800 0.189 0.000 1.056 661 D HN 0.388 nan 8.370 nan 0.000 0.494 662 L N 0.863 122.170 121.223 0.140 0.000 2.362 662 L HA 0.308 4.648 4.340 -0.001 0.000 0.275 662 L C -0.632 176.104 176.870 -0.224 0.000 0.998 662 L CA -0.395 54.451 54.840 0.009 0.000 0.820 662 L CB 2.165 44.201 42.059 -0.038 0.000 1.270 662 L HN -0.172 nan 8.230 nan 0.000 0.415 663 S N 3.703 119.193 115.700 -0.349 0.000 2.429 663 S HA 0.303 4.772 4.470 -0.001 0.000 0.302 663 S C -0.428 173.924 174.600 -0.414 0.000 1.115 663 S CA -0.690 57.068 58.200 -0.737 0.000 1.095 663 S CB 0.610 63.364 63.200 -0.743 0.000 0.987 663 S HN 0.506 nan 8.310 nan 0.000 0.474 664 E N 4.070 124.030 120.200 -0.400 0.000 2.044 664 E HA 0.205 4.555 4.350 -0.001 0.000 0.282 664 E C -0.549 175.965 176.600 -0.144 0.000 1.031 664 E CA -0.390 55.899 56.400 -0.184 0.000 0.824 664 E CB 1.030 30.643 29.700 -0.145 0.000 1.076 664 E HN 0.594 nan 8.360 nan 0.000 0.395 665 Q N 2.862 122.637 119.800 -0.042 0.000 2.849 665 Q HA 0.257 4.596 4.340 -0.001 0.000 0.289 665 Q C 0.825 176.847 176.000 0.036 0.000 1.012 665 Q CA -0.132 55.663 55.803 -0.013 0.000 0.899 665 Q CB 0.188 28.931 28.738 0.009 0.000 1.235 665 Q HN 0.620 nan 8.270 nan 0.000 0.457 666 I N -2.997 117.576 120.570 0.006 0.000 3.927 666 I HA 0.314 4.483 4.170 -0.001 0.000 0.332 666 I C 0.166 176.257 176.117 -0.044 0.000 1.485 666 I CA -0.474 60.844 61.300 0.031 0.000 1.131 666 I CB 0.691 38.673 38.000 -0.029 0.000 1.092 666 I HN -0.138 nan 8.210 nan 0.000 0.410 667 S N 2.040 117.712 115.700 -0.047 0.000 2.559 667 S HA 0.055 4.525 4.470 -0.001 0.000 0.282 667 S C 0.621 175.199 174.600 -0.037 0.000 1.336 667 S CA 0.094 58.277 58.200 -0.028 0.000 1.037 667 S CB 0.347 63.569 63.200 0.037 0.000 0.853 667 S HN 0.473 nan 8.310 nan 0.000 0.523 668 T N 3.246 117.803 114.554 0.005 0.000 2.871 668 T HA 0.240 4.589 4.350 -0.001 0.000 0.296 668 T C 0.553 175.241 174.700 -0.020 0.000 0.998 668 T CA -0.231 61.874 62.100 0.008 0.000 1.162 668 T CB 0.153 69.096 68.868 0.124 0.000 0.947 668 T HN 0.745 nan 8.240 nan 0.000 0.536 669 A N 2.882 125.661 122.820 -0.068 0.000 2.561 669 A HA 0.455 4.775 4.320 -0.001 0.000 0.251 669 A C 1.635 179.192 177.584 -0.045 0.000 1.062 669 A CA 0.290 52.284 52.037 -0.073 0.000 0.761 669 A CB -0.953 17.991 19.000 -0.094 0.000 0.986 669 A HN 1.659 nan 8.150 nan 0.000 0.510 670 G N 1.498 110.270 108.800 -0.046 0.000 2.201 670 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.212 670 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.212 670 G C 0.946 175.807 174.900 -0.065 0.000 0.994 670 G CA 0.889 45.962 45.100 -0.045 0.000 0.644 670 G HN 1.961 nan 8.290 nan 0.000 0.508 671 T N -1.698 112.810 114.554 -0.077 0.000 3.060 671 T HA 0.423 4.772 4.350 -0.001 0.000 0.249 671 T C 0.424 174.992 174.700 -0.220 0.000 1.079 671 T CA 0.761 62.747 62.100 -0.191 0.000 1.013 671 T CB 0.507 69.237 68.868 -0.229 0.000 0.975 671 T HN 0.299 nan 8.240 nan 0.000 0.518 672 E N 0.542 120.683 120.200 -0.098 0.000 2.171 672 E HA 0.642 4.991 4.350 -0.001 0.000 0.271 672 E C 0.638 177.171 176.600 -0.112 0.000 0.916 672 E CA -0.298 56.060 56.400 -0.071 0.000 0.774 672 E CB 1.997 31.692 29.700 -0.008 0.000 1.128 672 E HN 0.242 nan 8.360 nan 0.000 0.403 673 A N 2.352 125.059 122.820 -0.189 0.000 1.843 673 A HA -0.065 4.255 4.320 -0.001 0.000 0.213 673 A C 1.790 179.259 177.584 -0.190 0.000 1.202 673 A CA 1.820 53.622 52.037 -0.392 0.000 0.607 673 A CB 0.115 18.699 19.000 -0.693 0.000 0.847 673 A HN 0.526 nan 8.150 nan 0.000 0.445 674 S N -3.482 112.159 115.700 -0.099 0.000 4.207 674 S HA 0.487 4.957 4.470 -0.001 0.000 0.177 674 S C 0.465 175.064 174.600 -0.002 0.000 0.981 674 S CA 1.362 59.554 58.200 -0.013 0.000 1.097 674 S CB 0.273 63.494 63.200 0.036 0.000 1.525 674 S HN 2.130 nan 8.310 nan 0.000 0.686 675 G N 0.058 108.864 108.800 0.011 0.000 2.788 675 G HA2 0.022 3.981 3.960 -0.001 0.000 0.686 675 G HA3 0.022 3.981 3.960 -0.001 0.000 0.686 675 G C -0.015 174.885 174.900 -0.001 0.000 1.147 675 G CA 0.232 45.337 45.100 0.007 0.000 0.755 675 G HN 0.602 nan 8.290 nan 0.000 0.634 676 T N 0.205 114.747 114.554 -0.019 0.000 3.051 676 T HA 0.302 4.651 4.350 -0.001 0.000 0.254 676 T C 2.274 176.896 174.700 -0.131 0.000 0.916 676 T CA 1.658 63.727 62.100 -0.052 0.000 0.894 676 T CB -0.295 68.552 68.868 -0.034 0.000 1.251 676 T HN 1.599 nan 8.240 nan 0.000 0.517 677 G N 2.254 110.996 108.800 -0.096 0.000 2.443 677 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.219 677 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.219 677 G C 1.426 176.362 174.900 0.060 0.000 1.131 677 G CA 0.909 45.945 45.100 -0.106 0.000 0.775 677 G HN 0.679 nan 8.290 nan 0.000 0.547 678 N N 0.329 119.082 118.700 0.088 0.000 2.244 678 N HA -0.033 4.706 4.740 -0.001 0.000 0.183 678 N C 1.401 176.938 175.510 0.045 0.000 1.016 678 N CA 0.425 53.554 53.050 0.132 0.000 0.866 678 N CB -0.244 38.260 38.487 0.030 0.000 0.980 678 N HN 0.321 nan 8.380 nan 0.000 0.430 682 M N 0.545 120.217 119.600 0.120 0.000 2.213 682 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 682 M C 1.780 178.117 176.300 0.061 0.000 1.062 682 M CA 1.729 57.063 55.300 0.056 0.000 1.105 682 M CB -0.075 32.552 32.600 0.045 0.000 1.385 682 M HN 0.394 nan 8.290 nan 0.000 0.417 683 L N 0.037 121.296 121.223 0.061 0.000 2.217 683 L HA -0.150 4.190 4.340 -0.001 0.000 0.211 683 L C 1.153 178.057 176.870 0.056 0.000 1.107 683 L CA 0.958 55.842 54.840 0.073 0.000 0.783 683 L CB -0.287 41.825 42.059 0.089 0.000 0.919 683 L HN 0.403 nan 8.230 nan 0.000 0.442 684 N N -0.156 118.568 118.700 0.040 0.000 2.251 684 N HA 0.083 4.822 4.740 -0.001 0.000 0.217 684 N C 0.722 176.257 175.510 0.041 0.000 1.124 684 N CA 0.811 53.880 53.050 0.032 0.000 0.843 684 N CB 0.935 39.423 38.487 0.002 0.000 1.024 684 N HN 0.349 nan 8.380 nan 0.000 0.501 685 G N 0.792 109.616 108.800 0.040 0.000 2.204 685 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.244 685 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.244 685 G C -0.113 174.831 174.900 0.073 0.000 1.062 685 G CA 0.094 45.211 45.100 0.028 0.000 0.798 685 G HN 0.496 nan 8.290 nan 0.000 0.496 686 A N -0.107 122.766 122.820 0.087 0.000 2.324 686 A HA 0.865 5.184 4.320 -0.001 0.000 0.330 686 A C 0.428 177.986 177.584 -0.044 0.000 1.165 686 A CA -0.660 51.444 52.037 0.113 0.000 0.813 686 A CB 1.018 20.159 19.000 0.235 0.000 1.197 686 A HN 0.749 nan 8.150 nan 0.000 0.484 687 L N 1.230 122.387 121.223 -0.110 0.000 2.418 687 L HA 0.404 4.744 4.340 -0.001 0.000 0.265 687 L C 0.255 177.001 176.870 -0.206 0.000 1.143 687 L CA -0.244 54.436 54.840 -0.266 0.000 0.809 687 L CB 1.256 43.078 42.059 -0.395 0.000 1.124 687 L HN 0.686 nan 8.230 nan 0.000 0.456 688 T N 2.961 117.285 114.554 -0.384 0.000 2.797 688 T HA 0.470 4.819 4.350 -0.001 0.000 0.279 688 T C -0.369 174.300 174.700 -0.052 0.000 0.991 688 T CA -0.269 61.648 62.100 -0.305 0.000 0.979 688 T CB 1.626 70.221 68.868 -0.456 0.000 0.943 688 T HN 0.351 nan 8.240 nan 0.000 0.444 689 I N 2.987 123.579 120.570 0.038 0.000 2.330 689 I HA 0.695 4.865 4.170 -0.001 0.000 0.289 689 I C 0.155 176.437 176.117 0.276 0.000 1.001 689 I CA 0.160 61.570 61.300 0.183 0.000 1.193 689 I CB 0.289 38.299 38.000 0.016 0.000 1.345 689 I HN 0.784 nan 8.210 nan 0.000 0.461 690 G N 3.874 112.940 108.800 0.443 0.000 2.623 690 G HA2 0.482 4.442 3.960 -0.001 0.000 0.290 690 G HA3 0.482 4.442 3.960 -0.001 0.000 0.290 690 G C -0.995 173.983 174.900 0.130 0.000 1.437 690 G CA -0.511 44.791 45.100 0.337 0.000 0.798 690 G HN 0.536 nan 8.290 nan 0.000 0.488 691 T N -1.752 112.726 114.554 -0.126 0.000 2.899 691 T HA 0.507 4.857 4.350 -0.001 0.000 0.284 691 T C 0.456 175.067 174.700 -0.147 0.000 1.004 691 T CA -0.576 61.326 62.100 -0.330 0.000 1.043 691 T CB 1.435 70.086 68.868 -0.361 0.000 1.013 691 T HN 0.360 nan 8.240 nan 0.000 0.518 692 M N 3.030 122.538 119.600 -0.153 0.000 2.618 692 M HA 0.394 4.873 4.480 -0.001 0.000 0.322 692 M C -0.886 175.360 176.300 -0.090 0.000 1.471 692 M CA -0.227 55.011 55.300 -0.103 0.000 1.450 692 M CB -1.768 30.776 32.600 -0.092 0.000 1.444 692 M HN 0.832 nan 8.290 nan 0.000 0.471 693 D N 2.313 122.669 120.400 -0.074 0.000 2.745 693 D HA 0.566 5.205 4.640 -0.001 0.000 0.221 693 D C 0.339 176.615 176.300 -0.041 0.000 1.237 693 D CA 0.889 54.855 54.000 -0.057 0.000 0.781 693 D CB 0.945 41.708 40.800 -0.062 0.000 1.575 693 D HN 0.670 nan 8.370 nan 0.000 0.482 694 G N 1.980 110.763 108.800 -0.028 0.000 2.622 694 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.307 694 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.307 694 G C 1.215 176.111 174.900 -0.006 0.000 1.226 694 G CA 1.199 46.290 45.100 -0.015 0.000 0.997 694 G HN 1.320 nan 8.290 nan 0.000 0.551 695 A N -0.424 122.390 122.820 -0.010 0.000 2.067 695 A HA 0.098 4.418 4.320 -0.001 0.000 0.217 695 A C 2.125 179.659 177.584 -0.082 0.000 1.156 695 A CA 1.989 54.015 52.037 -0.019 0.000 0.683 695 A CB -0.464 18.507 19.000 -0.049 0.000 0.808 695 A HN 0.652 nan 8.150 nan 0.000 0.455 696 N N 0.609 119.266 118.700 -0.072 0.000 2.094 696 N HA -0.163 4.577 4.740 -0.001 0.000 0.191 696 N C 1.594 176.978 175.510 -0.211 0.000 1.023 696 N CA 1.688 54.677 53.050 -0.101 0.000 0.857 696 N CB -0.649 37.824 38.487 -0.023 0.000 1.013 696 N HN 0.295 nan 8.380 nan 0.000 0.426 697 V N 1.128 120.966 119.914 -0.126 0.000 2.295 697 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 697 V C 1.955 177.984 176.094 -0.108 0.000 1.049 697 V CA 1.708 63.934 62.300 -0.123 0.000 1.024 697 V CB -0.530 31.255 31.823 -0.064 0.000 0.648 697 V HN 0.358 nan 8.190 nan 0.000 0.447 698 E N -0.554 119.637 120.200 -0.014 0.000 2.208 698 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 698 E C 2.190 178.907 176.600 0.195 0.000 0.988 698 E CA 1.001 57.464 56.400 0.105 0.000 0.828 698 E CB -0.170 29.668 29.700 0.230 0.000 0.763 698 E HN 0.553 nan 8.360 nan 0.000 0.478 699 M N 0.332 119.938 119.600 0.010 0.000 2.132 699 M HA -0.089 4.391 4.480 -0.001 0.000 0.263 699 M C 2.392 178.496 176.300 -0.328 0.000 1.065 699 M CA 1.330 56.578 55.300 -0.086 0.000 1.122 699 M CB -0.041 32.422 32.600 -0.228 0.000 1.365 699 M HN 0.099 nan 8.290 nan 0.000 0.411 700 A N -0.483 121.864 122.820 -0.787 0.000 2.066 700 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 700 A C 1.920 179.321 177.584 -0.304 0.000 1.157 700 A CA 1.482 52.987 52.037 -0.888 0.000 0.670 700 A CB -0.565 17.899 19.000 -0.893 0.000 0.804 700 A HN 0.523 nan 8.150 nan 0.000 0.453 701 E N -0.253 119.844 120.200 -0.171 0.000 2.028 701 E HA -0.157 4.192 4.350 -0.001 0.000 0.190 701 E C 1.846 178.434 176.600 -0.020 0.000 0.984 701 E CA 0.984 57.342 56.400 -0.071 0.000 0.800 701 E CB -0.022 29.656 29.700 -0.036 0.000 0.758 701 E HN 0.492 nan 8.360 nan 0.000 0.448 702 E N 0.224 120.444 120.200 0.034 0.000 2.058 702 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 702 E C 1.884 178.527 176.600 0.071 0.000 0.997 702 E CA 1.271 57.712 56.400 0.068 0.000 0.801 702 E CB -0.289 29.504 29.700 0.156 0.000 0.746 702 E HN 0.324 nan 8.360 nan 0.000 0.450 703 A N 0.384 123.260 122.820 0.093 0.000 1.975 703 A HA 0.308 4.628 4.320 -0.001 0.000 0.215 703 A C 1.144 178.768 177.584 0.066 0.000 1.170 703 A CA 1.270 53.378 52.037 0.118 0.000 0.656 703 A CB -0.108 19.050 19.000 0.263 0.000 0.821 703 A HN 0.305 nan 8.150 nan 0.000 0.449 704 G N -0.824 107.987 108.800 0.019 0.000 2.784 704 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.686 704 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.686 704 G C 0.010 174.906 174.900 -0.007 0.000 1.156 704 G CA -0.016 45.082 45.100 -0.003 0.000 0.757 704 G HN 0.097 nan 8.290 nan 0.000 0.642 705 E N 1.178 121.357 120.200 -0.035 0.000 2.130 705 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 705 E C 2.200 178.794 176.600 -0.010 0.000 0.998 705 E CA 2.072 58.454 56.400 -0.030 0.000 0.806 705 E CB 0.035 29.717 29.700 -0.030 0.000 0.738 705 E HN 0.833 nan 8.360 nan 0.000 0.459 706 E N 0.980 121.163 120.200 -0.028 0.000 2.204 706 E HA -0.087 4.262 4.350 -0.001 0.000 0.194 706 E C 1.097 177.615 176.600 -0.135 0.000 0.989 706 E CA 0.688 57.048 56.400 -0.067 0.000 0.824 706 E CB -0.128 29.542 29.700 -0.049 0.000 0.756 706 E HN 0.164 nan 8.360 nan 0.000 0.477 707 N N -0.161 118.494 118.700 -0.075 0.000 2.327 707 N HA 0.161 4.900 4.740 -0.001 0.000 0.231 707 N C -1.018 174.387 175.510 -0.174 0.000 1.130 707 N CA 0.153 53.120 53.050 -0.139 0.000 0.845 707 N CB 0.308 38.769 38.487 -0.044 0.000 1.073 707 N HN 0.038 nan 8.380 nan 0.000 0.496 708 F N -0.581 119.124 119.950 -0.408 0.000 2.601 708 F HA 0.348 4.875 4.527 -0.001 0.000 0.309 708 F C -0.730 174.803 175.800 -0.445 0.000 1.089 708 F CA -0.979 56.817 58.000 -0.339 0.000 0.940 708 F CB 1.343 40.256 39.000 -0.144 0.000 1.273 708 F HN -0.199 nan 8.300 nan 0.000 0.450 709 F N 4.931 124.937 119.950 0.094 0.000 2.508 709 F HA 0.341 4.868 4.527 -0.000 0.000 0.329 709 F C 0.012 175.968 175.800 0.260 0.000 1.198 709 F CA -0.516 57.554 58.000 0.118 0.000 1.268 709 F CB -0.344 38.662 39.000 0.009 0.000 1.584 709 F HN 0.028 nan 8.300 nan 0.000 0.570 710 I N 2.743 123.534 120.570 0.369 0.000 2.588 710 I HA 0.128 4.297 4.170 -0.001 0.000 0.283 710 I C 0.073 176.396 176.117 0.344 0.000 1.119 710 I CA -0.063 61.418 61.300 0.302 0.000 1.419 710 I CB -0.023 38.060 38.000 0.137 0.000 1.394 710 I HN 0.269 nan 8.210 nan 0.000 0.562 711 F N 3.198 123.213 119.950 0.108 0.000 2.715 711 F HA 0.855 5.381 4.527 -0.000 0.000 0.318 711 F C 0.128 175.965 175.800 0.061 0.000 1.141 711 F CA -0.403 57.651 58.000 0.091 0.000 0.950 711 F CB 0.932 40.003 39.000 0.118 0.000 1.374 711 F HN 0.779 nan 8.300 nan 0.000 0.477 712 G N 0.960 109.769 108.800 0.015 0.000 2.741 712 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.222 712 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.222 712 G C -0.627 174.206 174.900 -0.113 0.000 1.364 712 G CA -0.473 44.563 45.100 -0.106 0.000 0.866 712 G HN 0.974 nan 8.290 nan 0.000 0.555 713 M N 0.561 120.106 119.600 -0.091 0.000 2.250 713 M HA 0.338 4.817 4.480 -0.001 0.000 0.325 713 M C 1.087 177.329 176.300 -0.095 0.000 1.084 713 M CA 0.123 55.389 55.300 -0.058 0.000 1.161 713 M CB 0.157 32.734 32.600 -0.038 0.000 1.481 713 M HN 0.589 nan 8.290 nan 0.000 0.449 714 R N 1.123 121.587 120.500 -0.060 0.000 2.719 714 R HA 0.434 4.773 4.340 -0.001 0.000 0.233 714 R C 1.294 177.565 176.300 -0.049 0.000 1.257 714 R CA -0.811 55.250 56.100 -0.064 0.000 1.109 714 R CB -0.314 29.957 30.300 -0.048 0.000 1.447 714 R HN 0.576 nan 8.270 nan 0.000 0.537 715 V N 1.716 121.602 119.914 -0.047 0.000 2.250 715 V HA -0.290 3.829 4.120 -0.001 0.000 0.250 715 V C 2.231 178.308 176.094 -0.028 0.000 1.060 715 V CA 2.496 64.773 62.300 -0.038 0.000 1.030 715 V CB -0.668 31.133 31.823 -0.038 0.000 0.643 715 V HN 0.776 nan 8.190 nan 0.000 0.445 716 E N 0.008 120.194 120.200 -0.022 0.000 2.338 716 E HA -0.223 4.126 4.350 -0.001 0.000 0.197 716 E C 1.435 178.033 176.600 -0.003 0.000 1.007 716 E CA 1.380 57.772 56.400 -0.013 0.000 0.849 716 E CB -0.525 29.169 29.700 -0.011 0.000 0.774 716 E HN 0.622 nan 8.360 nan 0.000 0.506 717 D N 1.146 121.544 120.400 -0.003 0.000 2.194 717 D HA -0.043 4.596 4.640 -0.001 0.000 0.204 717 D C 2.178 178.486 176.300 0.014 0.000 0.964 717 D CA 0.786 54.794 54.000 0.013 0.000 0.846 717 D CB 0.203 41.012 40.800 0.014 0.000 0.962 717 D HN 0.112 nan 8.370 nan 0.000 0.490 718 V N 1.980 121.889 119.914 -0.009 0.000 2.270 718 V HA -0.200 3.920 4.120 -0.001 0.000 0.245 718 V C 2.044 178.134 176.094 -0.007 0.000 1.043 718 V CA 1.590 63.879 62.300 -0.019 0.000 1.014 718 V CB -0.484 31.317 31.823 -0.035 0.000 0.645 718 V HN 0.042 nan 8.190 nan 0.000 0.447 719 D N 0.385 120.780 120.400 -0.008 0.000 2.137 719 D HA -0.233 4.406 4.640 -0.001 0.000 0.189 719 D C 2.063 178.369 176.300 0.011 0.000 0.998 719 D CA 1.542 55.539 54.000 -0.004 0.000 0.839 719 D CB -0.353 40.441 40.800 -0.009 0.000 0.962 719 D HN 0.271 nan 8.370 nan 0.000 0.446 720 R N 0.133 120.642 120.500 0.016 0.000 2.858 720 R HA 0.037 4.376 4.340 -0.001 0.000 0.228 720 R C 0.935 177.264 176.300 0.048 0.000 1.471 720 R CA 0.026 56.143 56.100 0.028 0.000 1.342 720 R CB -0.253 30.062 30.300 0.025 0.000 1.152 720 R HN 0.113 nan 8.270 nan 0.000 0.521 721 L N -2.130 119.126 121.223 0.054 0.000 2.860 721 L HA 0.185 4.524 4.340 -0.001 0.000 0.251 721 L C 1.037 177.963 176.870 0.092 0.000 1.041 721 L CA 0.491 55.386 54.840 0.092 0.000 0.985 721 L CB 0.484 42.610 42.059 0.112 0.000 1.656 721 L HN 0.003 nan 8.230 nan 0.000 0.526 722 D N 0.229 120.661 120.400 0.053 0.000 2.084 722 D HA -0.234 4.406 4.640 -0.001 0.000 0.194 722 D C 1.642 177.967 176.300 0.042 0.000 0.990 722 D CA 1.641 55.667 54.000 0.043 0.000 0.826 722 D CB -0.086 40.719 40.800 0.008 0.000 0.971 722 D HN 0.511 nan 8.370 nan 0.000 0.453 723 Q N 1.007 120.826 119.800 0.031 0.000 2.561 723 Q HA -0.162 4.178 4.340 -0.001 0.000 0.217 723 Q C 1.305 177.324 176.000 0.033 0.000 0.980 723 Q CA 0.870 56.688 55.803 0.025 0.000 0.927 723 Q CB 0.065 28.813 28.738 0.016 0.000 0.980 723 Q HN 0.286 nan 8.270 nan 0.000 0.525 724 R N -1.501 119.028 120.500 0.048 0.000 2.487 724 R HA 0.322 4.662 4.340 -0.001 0.000 0.272 724 R C 0.160 176.497 176.300 0.062 0.000 0.928 724 R CA 0.443 56.573 56.100 0.050 0.000 1.077 724 R CB 0.538 30.869 30.300 0.051 0.000 1.265 724 R HN 0.096 nan 8.270 nan 0.000 0.537 725 G N 1.151 110.000 108.800 0.082 0.000 3.402 725 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.686 725 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.686 725 G C -1.259 173.733 174.900 0.154 0.000 0.983 725 G CA -0.220 44.940 45.100 0.099 0.000 0.821 725 G HN 0.310 nan 8.290 nan 0.000 0.500 726 Y N 3.454 123.787 120.300 0.054 0.000 2.335 726 Y HA 0.574 5.123 4.550 -0.001 0.000 0.331 726 Y C 0.459 176.412 175.900 0.089 0.000 1.094 726 Y CA -0.668 57.486 58.100 0.090 0.000 1.253 726 Y CB 1.049 39.550 38.460 0.070 0.000 1.203 726 Y HN 0.609 nan 8.280 nan 0.000 0.508 727 N N 5.122 123.563 118.700 -0.431 0.000 2.623 727 N HA 0.340 5.079 4.740 -0.001 0.000 0.256 727 N C 0.194 175.418 175.510 -0.477 0.000 1.045 727 N CA 0.214 53.019 53.050 -0.407 0.000 0.863 727 N CB 1.245 39.642 38.487 -0.150 0.000 1.182 727 N HN 0.913 nan 8.380 nan 0.000 0.523 728 A N 2.702 125.127 122.820 -0.658 0.000 1.948 728 A HA -0.253 4.067 4.320 -0.001 0.000 0.220 728 A C 1.944 179.586 177.584 0.096 0.000 1.177 728 A CA 1.570 53.438 52.037 -0.281 0.000 0.636 728 A CB -0.407 18.339 19.000 -0.424 0.000 0.815 728 A HN 0.761 nan 8.150 nan 0.000 0.449 729 Q N -0.079 119.697 119.800 -0.040 0.000 2.291 729 Q HA -0.153 4.187 4.340 -0.001 0.000 0.206 729 Q C 1.761 177.827 176.000 0.111 0.000 0.976 729 Q CA 1.848 57.670 55.803 0.031 0.000 0.875 729 Q CB -0.266 28.441 28.738 -0.051 0.000 0.927 729 Q HN 0.781 nan 8.270 nan 0.000 0.450 730 E N -1.139 119.076 120.200 0.024 0.000 2.017 730 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 730 E C 1.693 178.267 176.600 -0.043 0.000 0.997 730 E CA 1.403 57.760 56.400 -0.071 0.000 0.804 730 E CB -0.221 29.333 29.700 -0.244 0.000 0.757 730 E HN 0.490 nan 8.360 nan 0.000 0.448 731 Y N -0.437 119.947 120.300 0.139 0.000 2.165 731 Y HA -0.283 4.266 4.550 -0.001 0.000 0.286 731 Y C 2.269 178.225 175.900 0.094 0.000 1.155 731 Y CA 1.608 59.800 58.100 0.153 0.000 1.164 731 Y CB -0.721 37.895 38.460 0.261 0.000 0.978 731 Y HN 0.215 nan 8.280 nan 0.000 0.513 732 Y N 1.180 121.589 120.300 0.183 0.000 2.241 732 Y HA -0.298 4.252 4.550 -0.001 0.000 0.286 732 Y C 1.838 177.739 175.900 0.002 0.000 1.166 732 Y CA 1.811 59.934 58.100 0.039 0.000 1.203 732 Y CB -0.298 38.229 38.460 0.111 0.000 0.977 732 Y HN 0.131 nan 8.280 nan 0.000 0.529 733 D N -0.342 120.142 120.400 0.139 0.000 2.137 733 D HA -0.117 4.522 4.640 -0.001 0.000 0.202 733 D C 2.202 178.484 176.300 -0.029 0.000 0.970 733 D CA 1.377 55.404 54.000 0.046 0.000 0.837 733 D CB -0.207 40.639 40.800 0.076 0.000 0.981 733 D HN 0.528 nan 8.370 nan 0.000 0.475 734 R N 0.594 121.088 120.500 -0.011 0.000 2.148 734 R HA 0.062 4.401 4.340 -0.001 0.000 0.223 734 R C 0.766 177.057 176.300 -0.016 0.000 1.088 734 R CA 0.544 56.639 56.100 -0.008 0.000 0.985 734 R CB -0.219 30.087 30.300 0.010 0.000 0.880 734 R HN 0.175 nan 8.270 nan 0.000 0.451 735 I N 2.575 123.120 120.570 -0.042 0.000 2.388 735 I HA 0.214 4.384 4.170 -0.001 0.000 0.281 735 I C -1.904 174.130 176.117 -0.140 0.000 1.046 735 I CA -2.531 58.744 61.300 -0.041 0.000 1.187 735 I CB 1.920 39.937 38.000 0.029 0.000 1.351 735 I HN -0.235 nan 8.210 nan 0.000 0.472 736 P HA -0.163 nan 4.420 nan 0.000 0.215 736 P C 1.160 178.374 177.300 -0.144 0.000 1.153 736 P CA 1.331 64.349 63.100 -0.136 0.000 0.853 736 P CB 0.236 31.887 31.700 -0.081 0.000 0.788 737 E N -0.777 119.375 120.200 -0.079 0.000 2.110 737 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 737 E C 1.904 178.418 176.600 -0.143 0.000 0.988 737 E CA 0.860 57.230 56.400 -0.049 0.000 0.804 737 E CB -0.723 29.018 29.700 0.068 0.000 0.745 737 E HN 0.170 nan 8.360 nan 0.000 0.458 738 L N 1.289 122.338 121.223 -0.291 0.000 2.109 738 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 738 L C 2.291 178.890 176.870 -0.452 0.000 1.086 738 L CA 1.472 55.971 54.840 -0.570 0.000 0.760 738 L CB -0.195 41.362 42.059 -0.837 0.000 0.910 738 L HN -0.080 nan 8.230 nan 0.000 0.437 739 R N -0.926 119.278 120.500 -0.493 0.000 2.091 739 R HA -0.218 4.121 4.340 -0.001 0.000 0.238 739 R C 2.312 178.474 176.300 -0.230 0.000 1.136 739 R CA 1.912 57.670 56.100 -0.570 0.000 0.959 739 R CB -0.362 29.585 30.300 -0.587 0.000 0.856 739 R HN 0.551 nan 8.270 nan 0.000 0.437 740 Q N 0.767 120.459 119.800 -0.179 0.000 2.084 740 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 740 Q C 2.221 178.181 176.000 -0.067 0.000 0.978 740 Q CA 1.801 57.539 55.803 -0.108 0.000 0.844 740 Q CB -0.083 28.591 28.738 -0.107 0.000 0.898 740 Q HN 0.502 nan 8.270 nan 0.000 0.426 741 I N -2.238 118.289 120.570 -0.071 0.000 2.439 741 I HA -0.181 3.988 4.170 -0.001 0.000 0.251 741 I C 1.670 177.818 176.117 0.050 0.000 1.139 741 I CA 0.707 62.005 61.300 -0.004 0.000 1.438 741 I CB -0.347 37.634 38.000 -0.031 0.000 1.085 741 I HN 0.090 nan 8.210 nan 0.000 0.427 742 I N 1.784 122.383 120.570 0.048 0.000 2.286 742 I HA -0.136 4.033 4.170 -0.001 0.000 0.245 742 I C 2.700 178.912 176.117 0.158 0.000 1.104 742 I CA 1.246 62.636 61.300 0.151 0.000 1.397 742 I CB -1.337 36.843 38.000 0.301 0.000 1.072 742 I HN 0.304 nan 8.210 nan 0.000 0.417 743 E N 0.688 120.964 120.200 0.126 0.000 2.110 743 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 743 E C 2.147 178.804 176.600 0.096 0.000 0.988 743 E CA 1.096 57.560 56.400 0.106 0.000 0.804 743 E CB -0.126 29.611 29.700 0.062 0.000 0.745 743 E HN 0.605 nan 8.360 nan 0.000 0.458 744 Q N 0.111 119.957 119.800 0.076 0.000 2.123 744 Q HA -0.019 4.320 4.340 -0.001 0.000 0.199 744 Q C 2.443 178.608 176.000 0.274 0.000 0.966 744 Q CA 0.650 56.511 55.803 0.096 0.000 0.845 744 Q CB -0.011 28.697 28.738 -0.051 0.000 0.907 744 Q HN 0.246 nan 8.270 nan 0.000 0.439 745 L N -0.055 121.338 121.223 0.284 0.000 2.083 745 L HA -0.178 4.161 4.340 -0.001 0.000 0.209 745 L C 2.208 179.252 176.870 0.290 0.000 1.083 745 L CA 0.992 56.019 54.840 0.311 0.000 0.752 745 L CB -0.244 41.925 42.059 0.183 0.000 0.899 745 L HN 0.168 nan 8.230 nan 0.000 0.433 746 S N -0.740 115.086 115.700 0.210 0.000 2.425 746 S HA -0.075 4.394 4.470 -0.001 0.000 0.225 746 S C 1.834 176.526 174.600 0.154 0.000 1.024 746 S CA 1.108 59.411 58.200 0.172 0.000 0.951 746 S CB 0.043 63.322 63.200 0.132 0.000 0.796 746 S HN 0.547 nan 8.310 nan 0.000 0.498 747 S N 0.591 116.384 115.700 0.155 0.000 2.634 747 S HA 0.406 4.875 4.470 -0.001 0.000 0.221 747 S C 1.193 175.876 174.600 0.138 0.000 0.952 747 S CA 0.339 58.616 58.200 0.127 0.000 0.930 747 S CB -0.066 63.200 63.200 0.109 0.000 0.780 747 S HN 0.662 nan 8.310 nan 0.000 0.498 748 G N 1.077 109.984 108.800 0.179 0.000 2.225 748 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.264 748 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.264 748 G C 0.079 175.060 174.900 0.135 0.000 1.060 748 G CA 0.237 45.434 45.100 0.162 0.000 0.833 748 G HN 0.573 nan 8.290 nan 0.000 0.498 749 F N -0.102 119.842 119.950 -0.009 0.000 2.146 749 F HA 0.237 4.763 4.527 -0.002 0.000 0.298 749 F C 2.025 177.636 175.800 -0.314 0.000 1.096 749 F CA 1.788 59.654 58.000 -0.223 0.000 1.275 749 F CB -0.058 38.701 39.000 -0.402 0.000 1.008 749 F HN 0.179 nan 8.300 nan 0.000 0.480 750 F N -0.183 119.865 119.950 0.163 0.000 2.765 750 F HA 0.177 4.703 4.527 -0.001 0.000 0.302 750 F C 0.798 176.661 175.800 0.105 0.000 1.111 750 F CA 0.340 58.382 58.000 0.070 0.000 1.359 750 F CB -0.266 38.808 39.000 0.124 0.000 1.097 750 F HN -0.018 nan 8.300 nan 0.000 0.577 751 S N -1.331 114.497 115.700 0.213 0.000 2.293 751 S HA 0.355 4.824 4.470 -0.001 0.000 0.154 751 S C -2.443 172.168 174.600 0.017 0.000 1.602 751 S CA -1.145 57.112 58.200 0.094 0.000 1.260 751 S CB 1.134 64.348 63.200 0.024 0.000 1.270 751 S HN -0.182 nan 8.310 nan 0.000 0.416 752 P HA 0.039 nan 4.420 nan 0.000 0.219 752 P C 0.707 177.996 177.300 -0.019 0.000 1.150 752 P CA 0.982 64.056 63.100 -0.042 0.000 0.814 752 P CB 0.076 31.729 31.700 -0.078 0.000 0.787 753 K N -1.263 119.128 120.400 -0.014 0.000 2.374 753 K HA 0.131 4.451 4.320 -0.001 0.000 0.196 753 K C 0.523 177.121 176.600 -0.003 0.000 1.023 753 K CA 0.430 56.714 56.287 -0.007 0.000 1.103 753 K CB 0.236 32.733 32.500 -0.003 0.000 0.848 753 K HN 0.178 nan 8.250 nan 0.000 0.528 754 Q N -0.596 119.198 119.800 -0.010 0.000 3.180 754 Q HA 0.169 4.508 4.340 -0.001 0.000 0.317 754 Q C -2.326 173.661 176.000 -0.021 0.000 0.824 754 Q CA -1.484 54.309 55.803 -0.018 0.000 0.926 754 Q CB 1.220 29.940 28.738 -0.030 0.000 1.487 754 Q HN -0.107 nan 8.270 nan 0.000 0.389 755 P HA -0.265 nan 4.420 nan 0.000 0.222 755 P C 0.421 177.750 177.300 0.048 0.000 1.157 755 P CA 1.877 64.998 63.100 0.036 0.000 0.905 755 P CB 0.117 31.839 31.700 0.037 0.000 0.792 756 D N -2.240 118.176 120.400 0.027 0.000 2.491 756 D HA 0.028 4.667 4.640 -0.001 0.000 0.228 756 D C 1.364 177.664 176.300 -0.001 0.000 1.183 756 D CA -0.395 53.630 54.000 0.042 0.000 0.827 756 D CB -0.977 39.853 40.800 0.051 0.000 0.989 756 D HN -0.010 nan 8.370 nan 0.000 0.494 757 L N -0.377 120.779 121.223 -0.112 0.000 2.081 757 L HA -0.056 4.284 4.340 -0.001 0.000 0.212 757 L C 0.962 177.650 176.870 -0.303 0.000 1.080 757 L CA 1.707 56.381 54.840 -0.277 0.000 0.754 757 L CB -0.503 41.228 42.059 -0.548 0.000 0.893 757 L HN 0.029 nan 8.230 nan 0.000 0.433 758 F N -1.081 118.920 119.950 0.085 0.000 2.693 758 F HA 0.153 4.679 4.527 -0.001 0.000 0.303 758 F C 1.967 177.810 175.800 0.072 0.000 1.097 758 F CA -0.334 57.705 58.000 0.065 0.000 1.330 758 F CB -0.669 38.361 39.000 0.050 0.000 1.067 758 F HN -0.063 nan 8.300 nan 0.000 0.565 759 K N 0.835 121.349 120.400 0.190 0.000 2.071 759 K HA -0.266 4.053 4.320 -0.001 0.000 0.217 759 K C 1.333 178.025 176.600 0.154 0.000 1.054 759 K CA 2.297 58.674 56.287 0.150 0.000 0.937 759 K CB -0.459 32.109 32.500 0.113 0.000 0.719 759 K HN 0.253 nan 8.250 nan 0.000 0.454 760 D N 0.292 120.794 120.400 0.170 0.000 2.104 760 D HA -0.130 4.509 4.640 -0.001 0.000 0.194 760 D C 2.053 178.443 176.300 0.150 0.000 0.994 760 D CA 0.919 55.027 54.000 0.180 0.000 0.830 760 D CB -0.299 40.633 40.800 0.220 0.000 0.959 760 D HN 0.221 nan 8.370 nan 0.000 0.452 761 I N 0.249 120.911 120.570 0.153 0.000 2.127 761 I HA -0.264 3.905 4.170 -0.001 0.000 0.241 761 I C 2.335 178.489 176.117 0.062 0.000 1.075 761 I CA 0.726 62.086 61.300 0.100 0.000 1.334 761 I CB -0.131 37.922 38.000 0.089 0.000 1.040 761 I HN -0.087 nan 8.210 nan 0.000 0.405 762 V N 1.187 121.155 119.914 0.090 0.000 2.231 762 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 762 V C 2.052 178.131 176.094 -0.025 0.000 1.054 762 V CA 2.329 64.663 62.300 0.057 0.000 1.015 762 V CB -0.988 30.892 31.823 0.096 0.000 0.638 762 V HN 0.462 nan 8.190 nan 0.000 0.444 763 N N -0.513 118.190 118.700 0.005 0.000 2.289 763 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 763 N C 1.647 177.016 175.510 -0.236 0.000 1.016 763 N CA 1.220 54.256 53.050 -0.022 0.000 0.872 763 N CB -0.408 38.141 38.487 0.102 0.000 0.973 763 N HN 0.386 nan 8.380 nan 0.000 0.433 764 M N 0.009 119.486 119.600 -0.205 0.000 2.123 764 M HA -0.001 4.479 4.480 -0.001 0.000 0.263 764 M C 1.312 177.434 176.300 -0.296 0.000 1.069 764 M CA 1.047 56.142 55.300 -0.342 0.000 1.133 764 M CB -0.467 32.159 32.600 0.042 0.000 1.356 764 M HN -0.002 nan 8.290 nan 0.000 0.415 765 L N 0.837 121.928 121.223 -0.220 0.000 2.081 765 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 765 L C 2.437 178.959 176.870 -0.580 0.000 1.080 765 L CA 1.726 56.349 54.840 -0.362 0.000 0.754 765 L CB -1.050 40.862 42.059 -0.246 0.000 0.893 765 L HN 0.375 nan 8.230 nan 0.000 0.433 766 M N -2.643 116.668 119.600 -0.480 0.000 2.435 766 M HA -0.042 4.438 4.480 -0.001 0.000 0.265 766 M C 1.552 177.443 176.300 -0.681 0.000 1.104 766 M CA 1.034 55.971 55.300 -0.606 0.000 1.140 766 M CB -0.282 31.920 32.600 -0.664 0.000 1.372 766 M HN 0.336 nan 8.290 nan 0.000 0.456 767 H N -1.857 117.030 119.070 -0.305 0.000 3.067 767 H HA 0.171 4.727 4.556 -0.001 0.000 0.241 767 H C -0.013 175.233 175.328 -0.136 0.000 0.961 767 H CA 0.660 56.571 56.048 -0.227 0.000 1.123 767 H CB 0.434 30.090 29.762 -0.177 0.000 1.448 767 H HN 0.485 nan 8.280 nan 0.000 0.457 768 H N -0.966 118.159 119.070 0.092 0.000 2.514 768 H HA 0.317 4.873 4.556 -0.001 0.000 0.226 768 H C -1.227 174.123 175.328 0.037 0.000 1.421 768 H CA -0.681 55.405 56.048 0.064 0.000 1.394 768 H CB 0.180 29.976 29.762 0.057 0.000 1.701 768 H HN -0.117 nan 8.280 nan 0.000 0.515 769 D N 1.467 121.920 120.400 0.089 0.000 2.443 769 D HA 0.162 4.801 4.640 -0.001 0.000 0.221 769 D C 0.817 177.081 176.300 -0.061 0.000 1.097 769 D CA -0.477 53.551 54.000 0.048 0.000 0.865 769 D CB 0.707 41.530 40.800 0.039 0.000 1.034 769 D HN 0.502 nan 8.370 nan 0.000 0.511 770 R N 2.168 122.519 120.500 -0.247 0.000 2.241 770 R HA -0.069 4.270 4.340 -0.001 0.000 0.224 770 R C 0.557 176.359 176.300 -0.831 0.000 1.101 770 R CA 1.035 56.737 56.100 -0.663 0.000 0.995 770 R CB 0.151 29.800 30.300 -1.085 0.000 0.870 770 R HN 0.401 nan 8.270 nan 0.000 0.463 771 F N -0.566 119.355 119.950 -0.047 0.000 2.706 771 F HA 0.275 4.801 4.527 -0.001 0.000 0.313 771 F C 0.187 175.876 175.800 -0.185 0.000 1.096 771 F CA -0.577 57.379 58.000 -0.073 0.000 1.219 771 F CB 0.465 39.486 39.000 0.035 0.000 1.051 771 F HN -0.262 nan 8.300 nan 0.000 0.568 772 K N -0.395 119.852 120.400 -0.256 0.000 3.167 772 K HA -0.162 4.158 4.320 -0.001 0.000 0.272 772 K C 0.978 177.479 176.600 -0.165 0.000 1.137 772 K CA 0.220 56.170 56.287 -0.563 0.000 0.800 772 K CB -1.878 30.206 32.500 -0.692 0.000 1.253 772 K HN 0.168 nan 8.250 nan 0.000 0.497 773 V N 0.046 119.962 119.914 0.003 0.000 2.250 773 V HA -0.328 3.791 4.120 -0.001 0.000 0.250 773 V C 1.997 178.277 176.094 0.311 0.000 1.060 773 V CA 2.497 64.887 62.300 0.150 0.000 1.030 773 V CB -0.462 31.470 31.823 0.183 0.000 0.643 773 V HN 0.384 nan 8.190 nan 0.000 0.445 774 F N 0.560 120.534 119.950 0.040 0.000 2.171 774 F HA -0.106 4.421 4.527 -0.001 0.000 0.300 774 F C 2.444 178.031 175.800 -0.354 0.000 1.090 774 F CA 0.838 58.814 58.000 -0.039 0.000 1.293 774 F CB -1.623 37.401 39.000 0.040 0.000 1.013 774 F HN 0.162 nan 8.300 nan 0.000 0.486 775 A N -0.393 122.245 122.820 -0.304 0.000 2.024 775 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 775 A C 1.697 179.211 177.584 -0.116 0.000 1.164 775 A CA 2.165 53.892 52.037 -0.518 0.000 0.643 775 A CB -0.590 18.274 19.000 -0.227 0.000 0.806 775 A HN 0.263 nan 8.150 nan 0.000 0.451 776 D N -3.108 117.311 120.400 0.032 0.000 2.398 776 D HA 0.096 4.735 4.640 -0.001 0.000 0.210 776 D C 1.203 177.659 176.300 0.260 0.000 1.094 776 D CA 0.004 54.104 54.000 0.168 0.000 0.839 776 D CB -0.175 40.726 40.800 0.168 0.000 0.963 776 D HN 0.564 nan 8.370 nan 0.000 0.506 777 Y N 2.021 122.389 120.300 0.114 0.000 2.165 777 Y HA -0.264 4.286 4.550 -0.001 0.000 0.286 777 Y C 2.234 178.206 175.900 0.120 0.000 1.155 777 Y CA 2.048 60.223 58.100 0.125 0.000 1.164 777 Y CB 0.154 38.634 38.460 0.034 0.000 0.978 777 Y HN -0.127 nan 8.280 nan 0.000 0.513 778 E N 0.368 120.654 120.200 0.143 0.000 2.021 778 E HA -0.247 4.102 4.350 -0.001 0.000 0.200 778 E C 2.137 178.732 176.600 -0.009 0.000 1.015 778 E CA 2.175 58.612 56.400 0.062 0.000 0.824 778 E CB -0.273 29.537 29.700 0.183 0.000 0.762 778 E HN 0.510 nan 8.360 nan 0.000 0.454 779 E N -0.550 119.715 120.200 0.107 0.000 2.085 779 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 779 E C 2.054 178.678 176.600 0.040 0.000 0.994 779 E CA 1.088 57.576 56.400 0.147 0.000 0.801 779 E CB -0.536 29.353 29.700 0.314 0.000 0.743 779 E HN 0.406 nan 8.360 nan 0.000 0.453 780 Y N 1.944 122.122 120.300 -0.203 0.000 2.097 780 Y HA -0.243 4.307 4.550 -0.001 0.000 0.282 780 Y C 2.461 178.026 175.900 -0.557 0.000 1.152 780 Y CA 1.739 59.464 58.100 -0.625 0.000 1.136 780 Y CB -0.624 37.534 38.460 -0.502 0.000 0.975 780 Y HN -0.041 nan 8.280 nan 0.000 0.498 781 V N -1.141 118.462 119.914 -0.518 0.000 2.626 781 V HA -0.162 3.957 4.120 -0.001 0.000 0.252 781 V C 2.185 178.071 176.094 -0.348 0.000 1.067 781 V CA 1.925 63.925 62.300 -0.499 0.000 1.081 781 V CB -0.537 31.028 31.823 -0.429 0.000 0.686 781 V HN 0.223 nan 8.190 nan 0.000 0.468 782 K N -0.226 120.022 120.400 -0.253 0.000 2.057 782 K HA -0.095 4.225 4.320 -0.001 0.000 0.206 782 K C 2.301 178.805 176.600 -0.160 0.000 1.050 782 K CA 1.664 57.863 56.287 -0.147 0.000 0.935 782 K CB -0.914 31.550 32.500 -0.060 0.000 0.715 782 K HN 0.641 nan 8.250 nan 0.000 0.439 783 C N 1.590 120.759 119.300 -0.218 0.000 2.440 783 C HA -0.049 4.410 4.460 -0.001 0.000 0.278 783 C C 2.596 177.371 174.990 -0.359 0.000 1.295 783 C CA 0.657 59.559 59.018 -0.192 0.000 1.738 783 C CB -0.507 27.115 27.740 -0.196 0.000 1.987 783 C HN 0.423 nan 8.230 nan 0.000 0.492 784 Q N 0.412 119.882 119.800 -0.551 0.000 2.224 784 Q HA -0.119 4.220 4.340 -0.001 0.000 0.203 784 Q C 1.925 177.717 176.000 -0.347 0.000 0.970 784 Q CA 1.262 56.708 55.803 -0.596 0.000 0.865 784 Q CB -0.339 27.838 28.738 -0.935 0.000 0.922 784 Q HN 0.749 nan 8.270 nan 0.000 0.445 785 E N 0.411 120.463 120.200 -0.247 0.000 2.072 785 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 785 E C 2.115 178.663 176.600 -0.086 0.000 0.982 785 E CA 0.397 56.716 56.400 -0.134 0.000 0.803 785 E CB 0.034 29.677 29.700 -0.095 0.000 0.755 785 E HN 0.234 nan 8.360 nan 0.000 0.453 786 R N 0.469 120.927 120.500 -0.071 0.000 2.096 786 R HA -0.154 4.186 4.340 -0.001 0.000 0.240 786 R C 2.451 178.746 176.300 -0.007 0.000 1.139 786 R CA 1.372 57.495 56.100 0.039 0.000 0.952 786 R CB -0.540 29.863 30.300 0.172 0.000 0.854 786 R HN 0.084 nan 8.270 nan 0.000 0.436 787 V N 0.346 120.041 119.914 -0.365 0.000 2.332 787 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 787 V C 2.264 178.319 176.094 -0.065 0.000 1.055 787 V CA 1.985 63.990 62.300 -0.492 0.000 1.038 787 V CB -0.401 30.979 31.823 -0.738 0.000 0.651 787 V HN 0.308 nan 8.190 nan 0.000 0.450 788 S N -0.434 115.201 115.700 -0.107 0.000 2.383 788 S HA -0.097 4.373 4.470 -0.001 0.000 0.227 788 S C 2.203 176.845 174.600 0.071 0.000 1.026 788 S CA 1.233 59.408 58.200 -0.041 0.000 0.981 788 S CB -0.372 62.775 63.200 -0.088 0.000 0.818 788 S HN 0.646 nan 8.310 nan 0.000 0.472 789 A N 1.262 124.128 122.820 0.075 0.000 1.883 789 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 789 A C 2.096 179.783 177.584 0.172 0.000 1.186 789 A CA 1.446 53.552 52.037 0.115 0.000 0.624 789 A CB -0.781 18.279 19.000 0.099 0.000 0.822 789 A HN 0.437 nan 8.150 nan 0.000 0.444 790 L N -1.969 119.407 121.223 0.255 0.000 2.083 790 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 790 L C 2.285 179.395 176.870 0.399 0.000 1.083 790 L CA 2.047 57.111 54.840 0.372 0.000 0.752 790 L CB -0.761 41.638 42.059 0.567 0.000 0.899 790 L HN 0.517 nan 8.230 nan 0.000 0.433 791 Y N 0.042 120.440 120.300 0.165 0.000 2.352 791 Y HA -0.244 4.305 4.550 -0.002 0.000 0.292 791 Y C 2.526 178.358 175.900 -0.112 0.000 1.136 791 Y CA 1.740 59.717 58.100 -0.206 0.000 1.227 791 Y CB -0.035 38.099 38.460 -0.542 0.000 0.991 791 Y HN 0.169 nan 8.280 nan 0.000 0.545 792 K N 0.597 121.054 120.400 0.095 0.000 2.280 792 K HA -0.187 4.132 4.320 -0.001 0.000 0.202 792 K C 0.141 176.729 176.600 -0.021 0.000 1.047 792 K CA 0.988 57.315 56.287 0.067 0.000 0.942 792 K CB -0.233 32.342 32.500 0.126 0.000 0.739 792 K HN 0.287 nan 8.250 nan 0.000 0.457 793 N N 0.204 118.902 118.700 -0.004 0.000 2.699 793 N HA 0.139 4.879 4.740 -0.001 0.000 0.232 793 N C -2.330 173.167 175.510 -0.022 0.000 1.027 793 N CA -1.901 51.146 53.050 -0.005 0.000 0.920 793 N CB 1.254 39.769 38.487 0.046 0.000 1.148 793 N HN -0.140 nan 8.380 nan 0.000 0.509 794 P HA -0.135 nan 4.420 nan 0.000 0.222 794 P C 1.113 178.407 177.300 -0.010 0.000 1.147 794 P CA 0.815 63.827 63.100 -0.147 0.000 0.790 794 P CB 0.260 31.846 31.700 -0.190 0.000 0.780 795 R N 0.060 120.561 120.500 0.002 0.000 2.055 795 R HA -0.084 4.255 4.340 -0.001 0.000 0.228 795 R C 2.038 178.368 176.300 0.051 0.000 1.143 795 R CA 1.146 57.258 56.100 0.020 0.000 0.945 795 R CB -0.348 29.958 30.300 0.009 0.000 0.841 795 R HN 0.031 nan 8.270 nan 0.000 0.429 796 E N -0.013 120.226 120.200 0.066 0.000 2.204 796 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 796 E C 1.539 178.205 176.600 0.111 0.000 0.989 796 E CA 0.591 57.035 56.400 0.073 0.000 0.824 796 E CB -0.258 29.485 29.700 0.072 0.000 0.756 796 E HN 0.516 nan 8.360 nan 0.000 0.477 797 W N 1.883 123.163 121.300 -0.033 0.000 2.355 797 W HA -0.178 4.482 4.660 0.000 0.000 0.309 797 W C 1.569 178.069 176.519 -0.032 0.000 1.206 797 W CA 2.035 59.369 57.345 -0.020 0.000 1.284 797 W CB -0.340 29.069 29.460 -0.084 0.000 1.145 797 W HN 0.023 nan 8.180 nan 0.000 0.502 798 T N 1.271 115.919 114.554 0.157 0.000 2.777 798 T HA -0.147 4.202 4.350 -0.001 0.000 0.266 798 T C 1.861 176.529 174.700 -0.052 0.000 1.040 798 T CA 1.549 63.671 62.100 0.037 0.000 1.141 798 T CB -0.356 68.529 68.868 0.028 0.000 0.868 798 T HN 0.161 nan 8.240 nan 0.000 0.444 799 R N 0.532 121.019 120.500 -0.022 0.000 2.105 799 R HA -0.012 4.327 4.340 -0.001 0.000 0.239 799 R C 2.445 178.710 176.300 -0.057 0.000 1.135 799 R CA 1.330 57.419 56.100 -0.019 0.000 0.967 799 R CB -0.408 29.895 30.300 0.004 0.000 0.861 799 R HN 0.387 nan 8.270 nan 0.000 0.442 800 M N 0.271 119.799 119.600 -0.121 0.000 2.236 800 M HA -0.099 4.380 4.480 -0.001 0.000 0.266 800 M C 2.081 178.244 176.300 -0.228 0.000 1.070 800 M CA 1.122 56.309 55.300 -0.187 0.000 1.137 800 M CB 0.224 32.664 32.600 -0.268 0.000 1.378 800 M HN -0.058 nan 8.290 nan 0.000 0.426 801 V N 0.922 120.665 119.914 -0.285 0.000 2.287 801 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 801 V C 2.180 178.209 176.094 -0.109 0.000 1.053 801 V CA 2.014 64.178 62.300 -0.226 0.000 1.027 801 V CB -0.562 31.142 31.823 -0.198 0.000 0.646 801 V HN 0.488 nan 8.190 nan 0.000 0.447 802 I N -0.593 119.932 120.570 -0.076 0.000 2.163 802 I HA -0.294 3.875 4.170 -0.001 0.000 0.243 802 I C 2.714 178.854 176.117 0.038 0.000 1.085 802 I CA 1.711 63.015 61.300 0.006 0.000 1.347 802 I CB -0.478 37.558 38.000 0.061 0.000 1.044 802 I HN 0.227 nan 8.210 nan 0.000 0.408 803 R N 0.500 121.005 120.500 0.008 0.000 2.105 803 R HA -0.150 4.190 4.340 -0.001 0.000 0.239 803 R C 2.075 178.393 176.300 0.031 0.000 1.135 803 R CA 1.360 57.471 56.100 0.019 0.000 0.967 803 R CB -0.505 29.792 30.300 -0.005 0.000 0.861 803 R HN 0.552 nan 8.270 nan 0.000 0.442 804 N N 0.717 119.416 118.700 -0.003 0.000 2.083 804 N HA -0.105 4.634 4.740 -0.001 0.000 0.190 804 N C 2.047 177.594 175.510 0.061 0.000 1.047 804 N CA 1.234 54.299 53.050 0.026 0.000 0.845 804 N CB -0.154 38.295 38.487 -0.064 0.000 1.025 804 N HN 0.078 nan 8.380 nan 0.000 0.428 805 I N 1.901 122.493 120.570 0.036 0.000 2.091 805 I HA -0.345 3.825 4.170 -0.001 0.000 0.240 805 I C 2.526 178.689 176.117 0.077 0.000 1.046 805 I CA 1.515 62.850 61.300 0.057 0.000 1.306 805 I CB -0.528 37.497 38.000 0.041 0.000 1.018 805 I HN 0.144 nan 8.210 nan 0.000 0.404 806 A N -1.011 121.857 122.820 0.079 0.000 2.032 806 A HA -0.247 4.073 4.320 -0.001 0.000 0.221 806 A C 2.286 179.916 177.584 0.077 0.000 1.165 806 A CA 2.530 54.613 52.037 0.076 0.000 0.645 806 A CB -0.767 18.284 19.000 0.086 0.000 0.807 806 A HN 0.453 nan 8.150 nan 0.000 0.453 807 T N -1.564 113.048 114.554 0.098 0.000 3.134 807 T HA 0.204 4.553 4.350 -0.001 0.000 0.260 807 T C 1.476 176.279 174.700 0.171 0.000 1.027 807 T CA 0.701 62.867 62.100 0.111 0.000 0.913 807 T CB -0.363 68.570 68.868 0.109 0.000 1.046 807 T HN 0.370 nan 8.240 nan 0.000 0.553 808 S N 0.261 116.071 115.700 0.183 0.000 2.423 808 S HA 0.009 4.478 4.470 -0.001 0.000 0.231 808 S C 2.288 177.028 174.600 0.233 0.000 1.014 808 S CA 1.004 59.367 58.200 0.273 0.000 0.965 808 S CB -0.463 62.856 63.200 0.199 0.000 0.785 808 S HN 0.705 nan 8.310 nan 0.000 0.495 809 G N 1.973 110.835 108.800 0.104 0.000 2.556 809 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.220 809 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.220 809 G C 1.287 176.155 174.900 -0.054 0.000 1.156 809 G CA 1.273 46.398 45.100 0.041 0.000 0.766 809 G HN 0.469 nan 8.290 nan 0.000 0.583 810 K N -0.420 119.844 120.400 -0.226 0.000 2.173 810 K HA -0.139 4.180 4.320 -0.001 0.000 0.207 810 K C 1.575 177.864 176.600 -0.519 0.000 1.046 810 K CA 1.219 57.215 56.287 -0.485 0.000 0.929 810 K CB -0.254 31.746 32.500 -0.833 0.000 0.720 810 K HN 0.420 nan 8.250 nan 0.000 0.453 811 F N 0.397 120.385 119.950 0.064 0.000 2.692 811 F HA 0.142 4.668 4.527 -0.001 0.000 0.303 811 F C 0.907 176.761 175.800 0.089 0.000 1.114 811 F CA -0.288 57.757 58.000 0.075 0.000 1.361 811 F CB 0.165 39.207 39.000 0.071 0.000 1.063 811 F HN -0.176 nan 8.300 nan 0.000 0.550 812 S N 0.372 116.168 115.700 0.159 0.000 2.531 812 S HA 0.063 4.532 4.470 -0.001 0.000 0.279 812 S C 1.555 176.239 174.600 0.141 0.000 1.305 812 S CA 0.058 58.344 58.200 0.144 0.000 1.058 812 S CB 0.668 63.924 63.200 0.094 0.000 0.899 812 S HN 0.384 nan 8.310 nan 0.000 0.493 813 S N 3.397 119.205 115.700 0.181 0.000 2.469 813 S HA -0.107 4.362 4.470 -0.001 0.000 0.238 813 S C 1.051 175.696 174.600 0.075 0.000 0.998 813 S CA 0.990 59.304 58.200 0.191 0.000 0.957 813 S CB -0.412 62.976 63.200 0.313 0.000 0.764 813 S HN 0.795 nan 8.310 nan 0.000 0.514 814 D N 1.894 122.333 120.400 0.065 0.000 2.123 814 D HA -0.105 4.534 4.640 -0.001 0.000 0.196 814 D C 2.107 178.415 176.300 0.013 0.000 0.992 814 D CA 0.940 54.958 54.000 0.031 0.000 0.833 814 D CB -0.360 40.459 40.800 0.032 0.000 0.954 814 D HN 0.333 nan 8.370 nan 0.000 0.455 815 R N 0.677 121.187 120.500 0.017 0.000 2.075 815 R HA -0.083 4.257 4.340 -0.001 0.000 0.232 815 R C 1.868 178.164 176.300 -0.007 0.000 1.126 815 R CA 1.360 57.457 56.100 -0.005 0.000 0.963 815 R CB -0.740 29.545 30.300 -0.025 0.000 0.858 815 R HN 0.122 nan 8.270 nan 0.000 0.435 816 T N 2.189 116.756 114.554 0.021 0.000 2.652 816 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 816 T C 1.916 176.629 174.700 0.022 0.000 1.039 816 T CA 1.379 63.510 62.100 0.052 0.000 1.153 816 T CB -0.121 68.830 68.868 0.140 0.000 0.863 816 T HN 0.094 nan 8.240 nan 0.000 0.428 817 I N 1.668 122.162 120.570 -0.127 0.000 2.226 817 I HA -0.097 4.073 4.170 -0.001 0.000 0.245 817 I C 2.897 178.987 176.117 -0.045 0.000 1.100 817 I CA 0.938 62.136 61.300 -0.170 0.000 1.374 817 I CB -1.648 36.243 38.000 -0.182 0.000 1.057 817 I HN 0.188 nan 8.210 nan 0.000 0.413 818 A N 0.133 122.939 122.820 -0.024 0.000 1.940 818 A HA -0.246 4.074 4.320 -0.001 0.000 0.219 818 A C 2.251 179.804 177.584 -0.051 0.000 1.176 818 A CA 1.520 53.550 52.037 -0.012 0.000 0.631 818 A CB -0.580 18.416 19.000 -0.007 0.000 0.814 818 A HN 0.520 nan 8.150 nan 0.000 0.446 819 Q N -1.854 117.898 119.800 -0.080 0.000 2.079 819 Q HA -0.167 4.173 4.340 -0.001 0.000 0.200 819 Q C 1.934 177.771 176.000 -0.272 0.000 0.974 819 Q CA 1.649 57.363 55.803 -0.150 0.000 0.840 819 Q CB -0.318 28.324 28.738 -0.159 0.000 0.898 819 Q HN 0.827 nan 8.270 nan 0.000 0.430 820 Y N 0.579 120.600 120.300 -0.465 0.000 2.165 820 Y HA -0.301 4.249 4.550 -0.001 0.000 0.286 820 Y C 2.456 177.801 175.900 -0.925 0.000 1.155 820 Y CA 1.206 58.764 58.100 -0.904 0.000 1.164 820 Y CB -0.383 37.234 38.460 -1.405 0.000 0.978 820 Y HN 0.170 nan 8.280 nan 0.000 0.513 821 A N 0.305 122.941 122.820 -0.306 0.000 1.865 821 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 821 A C 2.209 179.813 177.584 0.034 0.000 1.191 821 A CA 2.030 54.111 52.037 0.074 0.000 0.623 821 A CB -0.611 18.487 19.000 0.162 0.000 0.826 821 A HN 0.417 nan 8.150 nan 0.000 0.444 822 R N -0.914 119.567 120.500 -0.032 0.000 2.148 822 R HA -0.009 4.330 4.340 -0.001 0.000 0.223 822 R C 1.510 177.788 176.300 -0.037 0.000 1.088 822 R CA 1.428 57.518 56.100 -0.017 0.000 0.985 822 R CB -0.055 30.231 30.300 -0.024 0.000 0.880 822 R HN 0.664 nan 8.270 nan 0.000 0.451 823 E N -1.134 119.003 120.200 -0.104 0.000 2.485 823 E HA 0.139 4.489 4.350 -0.001 0.000 0.213 823 E C 1.151 177.694 176.600 -0.095 0.000 0.923 823 E CA 0.116 56.455 56.400 -0.101 0.000 1.054 823 E CB 0.724 30.338 29.700 -0.143 0.000 1.077 823 E HN 0.190 nan 8.360 nan 0.000 0.509 824 I N -1.018 119.459 120.570 -0.155 0.000 3.673 824 I HA 0.037 4.206 4.170 -0.001 0.000 0.281 824 I C 1.391 177.651 176.117 0.239 0.000 1.182 824 I CA -0.011 61.264 61.300 -0.042 0.000 1.391 824 I CB 0.290 38.117 38.000 -0.289 0.000 1.383 824 I HN 0.097 nan 8.210 nan 0.000 0.456 825 W N 1.168 122.559 121.300 0.151 0.000 2.525 825 W HA 0.350 5.010 4.660 -0.001 0.000 0.288 825 W C 1.574 178.125 176.519 0.054 0.000 1.200 825 W CA 1.036 58.452 57.345 0.118 0.000 1.349 825 W CB -1.020 28.503 29.460 0.105 0.000 1.102 825 W HN 0.280 nan 8.180 nan 0.000 0.558 826 G N 0.580 109.531 108.800 0.251 0.000 2.164 826 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.212 826 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.212 826 G C -0.466 174.504 174.900 0.116 0.000 1.031 826 G CA -0.043 45.137 45.100 0.133 0.000 0.730 826 G HN 0.420 nan 8.290 nan 0.000 0.501 827 V N -3.717 116.289 119.914 0.152 0.000 2.823 827 V HA 0.902 5.022 4.120 -0.001 0.000 0.312 827 V C -0.286 175.866 176.094 0.097 0.000 1.072 827 V CA -1.639 60.728 62.300 0.112 0.000 0.937 827 V CB 2.286 34.178 31.823 0.116 0.000 1.013 827 V HN 0.110 nan 8.190 nan 0.000 0.430 828 E N 4.299 124.538 120.200 0.065 0.000 2.167 828 E HA 0.450 4.799 4.350 -0.001 0.000 0.284 828 E C -2.503 174.133 176.600 0.060 0.000 1.016 828 E CA -1.955 54.478 56.400 0.055 0.000 0.817 828 E CB 1.613 31.336 29.700 0.039 0.000 1.080 828 E HN 0.706 nan 8.360 nan 0.000 0.397 829 P HA -0.014 nan 4.420 nan 0.000 0.265 829 P C -0.336 176.994 177.300 0.049 0.000 1.193 829 P CA 0.010 63.146 63.100 0.059 0.000 0.765 829 P CB 0.774 32.505 31.700 0.052 0.000 0.823 830 S N 2.425 118.156 115.700 0.052 0.000 2.472 830 S HA 0.387 4.856 4.470 -0.001 0.000 0.303 830 S C 0.639 175.265 174.600 0.043 0.000 1.099 830 S CA -0.778 57.450 58.200 0.047 0.000 1.077 830 S CB 0.880 64.114 63.200 0.056 0.000 1.031 830 S HN 0.315 nan 8.310 nan 0.000 0.487 831 R N 1.474 121.994 120.500 0.035 0.000 2.432 831 R HA 0.166 4.505 4.340 -0.001 0.000 0.260 831 R C 0.422 176.735 176.300 0.023 0.000 0.935 831 R CA -0.177 55.943 56.100 0.033 0.000 1.080 831 R CB 0.370 30.690 30.300 0.033 0.000 1.155 831 R HN 0.740 nan 8.270 nan 0.000 0.531 832 Q N 1.266 121.077 119.800 0.018 0.000 2.352 832 Q HA 0.154 4.494 4.340 -0.001 0.000 0.260 832 Q C -0.593 175.401 176.000 -0.010 0.000 0.976 832 Q CA -0.251 55.554 55.803 0.004 0.000 0.881 832 Q CB 1.018 29.759 28.738 0.005 0.000 1.235 832 Q HN -0.001 nan 8.270 nan 0.000 0.419 833 R N 1.107 121.592 120.500 -0.025 0.000 2.694 833 R HA 0.158 4.498 4.340 -0.001 0.000 0.268 833 R C -0.400 175.859 176.300 -0.070 0.000 1.061 833 R CA -0.427 55.646 56.100 -0.046 0.000 1.133 833 R CB 0.357 30.628 30.300 -0.048 0.000 1.020 833 R HN 0.494 nan 8.270 nan 0.000 0.475 834 L N 4.325 125.492 121.223 -0.094 0.000 2.334 834 L HA 0.310 4.650 4.340 -0.001 0.000 0.277 834 L C -1.952 174.849 176.870 -0.116 0.000 1.075 834 L CA -2.370 52.380 54.840 -0.150 0.000 0.804 834 L CB 1.137 43.081 42.059 -0.191 0.000 1.174 834 L HN 0.512 nan 8.230 nan 0.000 0.438 835 P HA 0.116 nan 4.420 nan 0.000 0.257 835 P C 0.061 177.324 177.300 -0.061 0.000 1.227 835 P CA 0.294 63.347 63.100 -0.078 0.000 0.981 835 P CB -0.099 31.557 31.700 -0.074 0.000 1.044 836 A N 6.438 129.229 122.820 -0.049 0.000 6.287 836 A HA -0.206 4.114 4.320 -0.001 0.000 0.311 836 A C -1.218 176.354 177.584 -0.020 0.000 1.942 836 A CA 0.879 52.897 52.037 -0.031 0.000 0.855 836 A CB -2.280 16.708 19.000 -0.020 0.000 1.191 836 A HN 0.433 nan 8.150 nan 0.000 0.418 837 P HA 0.212 nan 4.420 nan 0.000 0.218 837 P C 0.263 177.572 177.300 0.015 0.000 1.147 837 P CA 0.906 64.017 63.100 0.018 0.000 0.863 837 P CB -0.247 31.485 31.700 0.052 0.000 0.812 838 D N 0.000 120.409 120.400 0.015 0.000 6.856 838 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 838 D CA 0.000 54.008 54.000 0.013 0.000 0.868 838 D CB 0.000 40.802 40.800 0.003 0.000 0.688 838 D HN 0.000 nan 8.370 nan 0.000 0.683