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 1r7r_1_A DATA FIRST_RESID 17 DATA SEQUENCE LKQKNRPNRL IVDEAINEDN SVVSLSQPKM DELQLFRGDT VLLKGKKRRE DATA SEQUENCE AVCIVLSDDT CSDEKIRMNR VVRNNLRVRL GDVISIQPCP DVKYGKRIHV DATA SEQUENCE LPIDDTVEGI TGNLFEVYLK PYFLEAYRPI RKGDIFLVRG GMRAVEFKVV DATA SEQUENCE ETDPSPYCIV APDTVIHCEG EPIKREDEEE SLNEVGYDDV GGCRKQLAQI DATA SEQUENCE KEMVELPLRH PALFKAIGVK PPRGILLYGP PGTGKTLIAR AVANETGAFF DATA SEQUENCE FLINGPEIMS KLAGESESNL RKAFEEAEKN APAIIFIDEL DAIAPKREKT DATA SEQUENCE HGEVERRIVS QLLTLMDGLK XXAHVIVMAA TNRPNSIDPA LRRFGRFDRE DATA SEQUENCE VDIGIPDATG RLEILQIHTK NMKLADDVDL EQVANETHGH VGADLAALCS DATA SEQUENCE EAALQAIRKK MDLIDLEDET IDAEVMNSLA VTMDDFRWAL SQSNPSALRE DATA SEQUENCE TVVEVPQVTW EDIGGLEDVK RELQELVQYP VEHPDKFLKF GMTPSKGVLF DATA SEQUENCE YGPPGCGKTL LAKAIANECQ ANFISIKGPE LLTMWFGESE ANVREIFDKA DATA SEQUENCE RQAAPCVLFF DELDSIAKAR GGNIGDGGGA ADRVINQILT EMDXXXXXXN DATA SEQUENCE VFIIGATNRP DIIDPAILRP GRLDQLIYIP LPDEKSRVAI LKANLRKSXX DATA SEQUENCE XXDVDLEFLA KMTNGFSGAD LTEICQRACK LAIRESXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX PVPEIRRDH 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.866 176.870 -0.006 0.000 1.165 17 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 17 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 18 K N 3.063 123.459 120.400 -0.006 0.000 2.402 18 K HA 0.228 4.548 4.320 0.000 0.000 0.285 18 K C -0.306 176.290 176.600 -0.006 0.000 1.054 18 K CA 0.286 56.570 56.287 -0.006 0.000 1.001 18 K CB 0.409 32.905 32.500 -0.006 0.000 0.946 18 K HN 0.460 nan 8.250 nan 0.000 0.473 19 Q N 2.590 122.387 119.800 -0.005 0.000 2.396 19 Q HA 0.094 4.434 4.340 0.000 0.000 0.221 19 Q C -0.103 175.894 176.000 -0.005 0.000 1.025 19 Q CA -0.386 55.414 55.803 -0.005 0.000 0.946 19 Q CB 0.858 29.593 28.738 -0.004 0.000 1.224 19 Q HN 0.544 nan 8.270 nan 0.000 0.539 20 K N 0.681 121.078 120.400 -0.005 0.000 2.118 20 K HA 0.159 4.479 4.320 0.000 0.000 0.240 20 K C 0.315 176.914 176.600 -0.002 0.000 1.035 20 K CA -0.427 55.858 56.287 -0.004 0.000 0.899 20 K CB 0.467 32.965 32.500 -0.004 0.000 1.085 20 K HN 0.330 nan 8.250 nan 0.000 0.498 21 N N 0.646 119.346 118.700 -0.000 0.000 2.327 21 N HA 0.038 4.778 4.740 0.000 0.000 0.285 21 N C -0.314 175.197 175.510 0.001 0.000 1.299 21 N CA -0.422 52.629 53.050 0.001 0.000 0.944 21 N CB 0.176 38.665 38.487 0.003 0.000 1.067 21 N HN 0.641 nan 8.380 nan 0.000 0.514 22 R N 1.188 121.690 120.500 0.003 0.000 2.678 22 R HA 0.013 4.353 4.340 0.000 0.000 0.264 22 R C -1.939 174.362 176.300 0.001 0.000 0.995 22 R CA -0.570 55.531 56.100 0.002 0.000 1.098 22 R CB -0.448 29.854 30.300 0.004 0.000 0.949 22 R HN 0.394 nan 8.270 nan 0.000 0.422 23 P HA -0.070 nan 4.420 nan 0.000 0.236 23 P C -0.132 177.167 177.300 -0.002 0.000 1.177 23 P CA 0.883 63.982 63.100 -0.002 0.000 0.773 23 P CB -0.106 31.591 31.700 -0.005 0.000 0.878 24 N N -0.184 118.515 118.700 -0.001 0.000 2.421 24 N HA -0.055 4.685 4.740 0.000 0.000 0.201 24 N C 0.562 176.074 175.510 0.003 0.000 1.198 24 N CA -0.221 52.829 53.050 -0.000 0.000 0.838 24 N CB -0.485 38.002 38.487 0.001 0.000 1.011 24 N HN 0.001 nan 8.380 nan 0.000 0.463 25 R N 1.059 121.561 120.500 0.004 0.000 2.215 25 R HA 0.350 4.690 4.340 0.000 0.000 0.337 25 R C -1.046 175.259 176.300 0.008 0.000 1.010 25 R CA -0.493 55.611 56.100 0.008 0.000 0.871 25 R CB 0.306 30.611 30.300 0.009 0.000 1.134 25 R HN 0.207 nan 8.270 nan 0.000 0.477 26 L N 4.642 125.871 121.223 0.011 0.000 2.330 26 L HA 0.499 4.839 4.340 0.000 0.000 0.271 26 L C 0.144 177.025 176.870 0.018 0.000 1.013 26 L CA -1.394 53.453 54.840 0.012 0.000 0.816 26 L CB 1.681 43.746 42.059 0.009 0.000 1.287 26 L HN 0.438 nan 8.230 nan 0.000 0.435 27 I N 2.129 122.711 120.570 0.021 0.000 2.588 27 I HA 0.034 4.204 4.170 0.000 0.000 0.283 27 I C 0.398 176.533 176.117 0.030 0.000 1.119 27 I CA -0.045 61.272 61.300 0.029 0.000 1.419 27 I CB 1.441 39.460 38.000 0.031 0.000 1.394 27 I HN 0.274 nan 8.210 nan 0.000 0.562 28 V N 6.458 126.392 119.914 0.033 0.000 2.405 28 V HA 0.196 4.316 4.120 0.000 0.000 0.264 28 V C -0.076 176.041 176.094 0.040 0.000 1.048 28 V CA 0.071 62.391 62.300 0.033 0.000 0.966 28 V CB 0.845 32.687 31.823 0.031 0.000 1.015 28 V HN 0.805 nan 8.190 nan 0.000 0.477 29 D N 4.315 124.737 120.400 0.037 0.000 2.569 29 D HA 0.394 5.034 4.640 0.000 0.000 0.266 29 D C 0.071 176.399 176.300 0.046 0.000 1.164 29 D CA -0.523 53.503 54.000 0.043 0.000 1.071 29 D CB 1.572 42.392 40.800 0.033 0.000 1.183 29 D HN 0.721 nan 8.370 nan 0.000 0.613 30 E N -0.493 119.739 120.200 0.053 0.000 2.374 30 E HA 0.473 4.823 4.350 0.000 0.000 0.260 30 E C -0.659 175.964 176.600 0.040 0.000 1.101 30 E CA -0.556 55.878 56.400 0.057 0.000 0.907 30 E CB 1.001 30.743 29.700 0.070 0.000 1.014 30 E HN 0.411 nan 8.360 nan 0.000 0.427 31 A N 2.028 124.871 122.820 0.038 0.000 2.304 31 A HA 0.269 4.589 4.320 0.000 0.000 0.301 31 A C 0.547 178.147 177.584 0.026 0.000 1.132 31 A CA -0.466 51.589 52.037 0.030 0.000 0.819 31 A CB 0.487 19.505 19.000 0.030 0.000 1.094 31 A HN 0.544 nan 8.150 nan 0.000 0.492 32 I N 0.301 120.884 120.570 0.021 0.000 3.339 32 I HA 0.067 4.237 4.170 0.000 0.000 0.285 32 I C 0.475 176.602 176.117 0.018 0.000 1.201 32 I CA 0.716 62.027 61.300 0.017 0.000 1.434 32 I CB -0.459 37.549 38.000 0.013 0.000 1.152 32 I HN 0.631 nan 8.210 nan 0.000 0.443 33 N N 2.006 120.718 118.700 0.019 0.000 2.426 33 N HA 0.010 4.750 4.740 0.000 0.000 0.257 33 N C 0.670 176.195 175.510 0.026 0.000 1.002 33 N CA 0.183 53.245 53.050 0.020 0.000 0.942 33 N CB 1.347 39.846 38.487 0.019 0.000 1.112 33 N HN 0.141 nan 8.380 nan 0.000 0.499 34 E N 1.799 122.015 120.200 0.028 0.000 2.511 34 E HA -0.079 4.271 4.350 0.000 0.000 0.196 34 E C -0.386 176.243 176.600 0.048 0.000 1.066 34 E CA 0.090 56.511 56.400 0.034 0.000 0.871 34 E CB 0.222 29.940 29.700 0.031 0.000 0.863 34 E HN 0.549 nan 8.360 nan 0.000 0.520 35 D N 0.268 120.694 120.400 0.044 0.000 2.351 35 D HA -0.016 4.624 4.640 0.000 0.000 0.251 35 D C 0.488 176.827 176.300 0.065 0.000 1.137 35 D CA -0.226 53.806 54.000 0.054 0.000 0.879 35 D CB 0.856 41.672 40.800 0.026 0.000 1.181 35 D HN 0.076 nan 8.370 nan 0.000 0.448 36 N N 1.691 120.455 118.700 0.105 0.000 2.364 36 N HA -0.108 4.632 4.740 0.000 0.000 0.183 36 N C 1.175 176.736 175.510 0.085 0.000 1.022 36 N CA 0.613 53.736 53.050 0.122 0.000 0.883 36 N CB 0.119 38.736 38.487 0.218 0.000 0.965 36 N HN 0.228 nan 8.380 nan 0.000 0.438 37 S N -0.405 115.321 115.700 0.044 0.000 2.548 37 S HA 0.122 4.592 4.470 0.000 0.000 0.215 37 S C 0.620 175.233 174.600 0.021 0.000 0.976 37 S CA -0.316 57.898 58.200 0.022 0.000 0.908 37 S CB 0.760 63.949 63.200 -0.019 0.000 0.781 37 S HN 0.099 nan 8.310 nan 0.000 0.519 38 V N 2.434 122.362 119.914 0.024 0.000 2.667 38 V HA 0.785 4.905 4.120 0.000 0.000 0.308 38 V C -0.988 175.120 176.094 0.023 0.000 1.048 38 V CA -0.640 61.672 62.300 0.020 0.000 0.928 38 V CB 1.901 33.734 31.823 0.017 0.000 1.004 38 V HN 0.140 nan 8.190 nan 0.000 0.444 39 V N 2.777 122.702 119.914 0.019 0.000 2.925 39 V HA 0.820 4.940 4.120 0.000 0.000 0.311 39 V C -0.426 175.675 176.094 0.012 0.000 1.104 39 V CA -0.424 61.886 62.300 0.018 0.000 0.954 39 V CB 1.801 33.634 31.823 0.016 0.000 1.022 39 V HN 0.827 nan 8.190 nan 0.000 0.427 40 S N 4.226 119.932 115.700 0.011 0.000 2.482 40 S HA 0.871 5.341 4.470 0.000 0.000 0.303 40 S C -0.459 174.142 174.600 0.003 0.000 1.091 40 S CA -0.637 57.567 58.200 0.007 0.000 1.057 40 S CB 1.324 64.528 63.200 0.008 0.000 1.031 40 S HN 0.735 nan 8.310 nan 0.000 0.485 41 L N 1.271 122.491 121.223 -0.004 0.000 2.183 41 L HA 0.686 5.026 4.340 0.000 0.000 0.253 41 L C 0.137 176.998 176.870 -0.014 0.000 1.048 41 L CA -1.060 53.774 54.840 -0.010 0.000 0.890 41 L CB 1.663 43.712 42.059 -0.017 0.000 1.476 41 L HN 0.697 nan 8.230 nan 0.000 0.455 42 S N -1.080 114.609 115.700 -0.018 0.000 2.608 42 S HA 0.206 4.676 4.470 0.000 0.000 0.291 42 S C 0.346 174.926 174.600 -0.034 0.000 1.146 42 S CA -0.523 57.664 58.200 -0.021 0.000 1.043 42 S CB 2.094 65.284 63.200 -0.017 0.000 1.037 42 S HN 0.606 nan 8.310 nan 0.000 0.520 43 Q N 2.131 121.909 119.800 -0.037 0.000 2.077 43 Q HA -0.043 4.297 4.340 0.000 0.000 0.206 43 Q C -0.849 175.114 176.000 -0.062 0.000 0.989 43 Q CA 2.476 58.247 55.803 -0.054 0.000 0.853 43 Q CB -1.601 27.110 28.738 -0.045 0.000 0.907 43 Q HN 0.697 nan 8.270 nan 0.000 0.418 44 P HA -0.189 nan 4.420 nan 0.000 0.219 44 P C 0.823 178.094 177.300 -0.048 0.000 1.146 44 P CA 1.309 64.383 63.100 -0.044 0.000 0.808 44 P CB 0.056 31.738 31.700 -0.030 0.000 0.779 45 K N -0.177 120.196 120.400 -0.045 0.000 2.076 45 K HA 0.084 4.404 4.320 0.000 0.000 0.204 45 K C 2.197 178.760 176.600 -0.062 0.000 1.051 45 K CA 0.960 57.222 56.287 -0.043 0.000 0.949 45 K CB -0.713 31.768 32.500 -0.031 0.000 0.726 45 K HN 0.179 nan 8.250 nan 0.000 0.443 46 M N 0.943 120.494 119.600 -0.081 0.000 2.213 46 M HA -0.180 4.300 4.480 0.000 0.000 0.263 46 M C 1.145 177.343 176.300 -0.169 0.000 1.062 46 M CA 1.403 56.629 55.300 -0.124 0.000 1.105 46 M CB -0.487 32.026 32.600 -0.145 0.000 1.385 46 M HN -0.003 nan 8.290 nan 0.000 0.417 47 D N 0.534 120.848 120.400 -0.144 0.000 2.084 47 D HA -0.166 4.474 4.640 0.000 0.000 0.199 47 D C 1.730 177.973 176.300 -0.095 0.000 0.981 47 D CA 1.274 55.189 54.000 -0.142 0.000 0.841 47 D CB -0.606 40.134 40.800 -0.101 0.000 0.997 47 D HN 0.461 nan 8.370 nan 0.000 0.454 48 E N -0.093 120.068 120.200 -0.066 0.000 2.233 48 E HA -0.205 4.145 4.350 0.000 0.000 0.199 48 E C 1.284 177.860 176.600 -0.040 0.000 1.004 48 E CA 0.842 57.216 56.400 -0.043 0.000 0.819 48 E CB 0.083 29.764 29.700 -0.033 0.000 0.738 48 E HN 0.062 nan 8.360 nan 0.000 0.478 49 L N 0.209 121.399 121.223 -0.054 0.000 2.616 49 L HA 0.172 4.512 4.340 0.000 0.000 0.229 49 L C 0.058 176.898 176.870 -0.049 0.000 1.110 49 L CA 0.612 55.427 54.840 -0.042 0.000 0.884 49 L CB 0.061 42.096 42.059 -0.040 0.000 1.115 49 L HN 0.060 nan 8.230 nan 0.000 0.481 50 Q N 0.126 119.872 119.800 -0.090 0.000 2.459 50 Q HA -0.175 4.165 4.340 0.000 0.000 0.322 50 Q C -0.947 174.989 176.000 -0.107 0.000 1.427 50 Q CA 0.603 56.342 55.803 -0.107 0.000 0.861 50 Q CB -1.477 27.259 28.738 -0.003 0.000 1.137 50 Q HN 0.297 nan 8.270 nan 0.000 0.394 51 L N 0.261 121.347 121.223 -0.229 0.000 2.354 51 L HA 0.741 5.081 4.340 0.000 0.000 0.269 51 L C -0.172 176.498 176.870 -0.333 0.000 1.005 51 L CA -0.936 53.826 54.840 -0.130 0.000 0.819 51 L CB 1.194 43.214 42.059 -0.065 0.000 1.311 51 L HN 0.043 nan 8.230 nan 0.000 0.423 52 F N 0.500 120.444 119.950 -0.009 0.000 2.538 52 F HA 0.498 5.025 4.527 -0.000 0.000 0.325 52 F C 1.315 177.109 175.800 -0.009 0.000 1.066 52 F CA -0.788 57.206 58.000 -0.009 0.000 0.946 52 F CB 1.145 40.138 39.000 -0.011 0.000 1.199 52 F HN 0.349 nan 8.300 nan 0.000 0.473 53 R N 1.190 121.804 120.500 0.190 0.000 2.312 53 R HA -0.229 4.111 4.340 0.000 0.000 0.270 53 R C 1.267 177.612 176.300 0.076 0.000 1.165 53 R CA 1.753 57.915 56.100 0.103 0.000 1.006 53 R CB -1.029 29.334 30.300 0.104 0.000 0.893 53 R HN 0.910 nan 8.270 nan 0.000 0.479 54 G N -0.707 108.147 108.800 0.089 0.000 3.815 54 G HA2 0.019 3.979 3.960 0.000 0.000 0.265 54 G HA3 0.019 3.979 3.960 0.000 0.000 0.265 54 G C -0.504 174.427 174.900 0.051 0.000 1.026 54 G CA -0.427 44.704 45.100 0.052 0.000 0.868 54 G HN 0.065 nan 8.290 nan 0.000 0.476 55 D N 2.533 122.980 120.400 0.078 0.000 2.525 55 D HA 0.128 4.768 4.640 0.000 0.000 0.235 55 D C 0.900 177.219 176.300 0.031 0.000 1.137 55 D CA 0.879 54.918 54.000 0.064 0.000 0.868 55 D CB 1.306 42.166 40.800 0.099 0.000 1.180 55 D HN 0.274 nan 8.370 nan 0.000 0.465 56 T N -1.006 113.556 114.554 0.015 0.000 2.832 56 T HA 0.464 4.814 4.350 0.000 0.000 0.296 56 T C 0.385 175.067 174.700 -0.030 0.000 0.968 56 T CA -0.925 61.170 62.100 -0.009 0.000 1.107 56 T CB 1.017 69.875 68.868 -0.017 0.000 0.916 56 T HN 0.178 nan 8.240 nan 0.000 0.517 57 V N 1.067 120.958 119.914 -0.037 0.000 2.960 57 V HA 0.805 4.925 4.120 0.000 0.000 0.315 57 V C -0.651 175.399 176.094 -0.072 0.000 1.087 57 V CA -1.466 60.808 62.300 -0.044 0.000 0.982 57 V CB 1.614 33.426 31.823 -0.018 0.000 1.039 57 V HN 0.814 nan 8.190 nan 0.000 0.437 58 L N 3.212 124.392 121.223 -0.070 0.000 2.280 58 L HA 0.639 4.979 4.340 0.000 0.000 0.287 58 L C -0.728 176.128 176.870 -0.022 0.000 1.023 58 L CA -0.265 54.532 54.840 -0.071 0.000 0.819 58 L CB 0.779 42.788 42.059 -0.083 0.000 1.212 58 L HN 0.711 nan 8.230 nan 0.000 0.420 59 L N 5.797 127.016 121.223 -0.006 0.000 2.287 59 L HA 0.517 4.857 4.340 0.000 0.000 0.287 59 L C -0.224 176.660 176.870 0.023 0.000 1.022 59 L CA -0.523 54.324 54.840 0.011 0.000 0.814 59 L CB 1.114 43.182 42.059 0.015 0.000 1.217 59 L HN 0.530 nan 8.230 nan 0.000 0.420 60 K N 2.165 122.579 120.400 0.024 0.000 2.244 60 K HA 0.704 5.024 4.320 0.000 0.000 0.260 60 K C 0.129 176.746 176.600 0.028 0.000 0.951 60 K CA -0.495 55.809 56.287 0.029 0.000 0.826 60 K CB 2.482 34.999 32.500 0.029 0.000 1.108 60 K HN 0.711 nan 8.250 nan 0.000 0.433 61 G N 2.122 110.940 108.800 0.031 0.000 3.340 61 G HA2 0.306 4.266 3.960 0.000 0.000 0.176 61 G HA3 0.306 4.266 3.960 0.000 0.000 0.176 61 G C -0.777 174.140 174.900 0.029 0.000 1.103 61 G CA -0.393 44.724 45.100 0.029 0.000 0.779 61 G HN 0.370 nan 8.290 nan 0.000 0.673 62 K N 0.168 120.585 120.400 0.028 0.000 2.148 62 K HA 0.426 4.746 4.320 0.000 0.000 0.239 62 K C -0.201 176.415 176.600 0.026 0.000 1.018 62 K CA -0.525 55.778 56.287 0.027 0.000 0.923 62 K CB 0.741 33.256 32.500 0.026 0.000 1.117 62 K HN 0.377 nan 8.250 nan 0.000 0.477 63 K N 1.078 121.492 120.400 0.024 0.000 3.012 63 K HA -0.266 4.054 4.320 0.000 0.000 0.259 63 K C -0.592 176.023 176.600 0.025 0.000 0.989 63 K CA 0.685 56.986 56.287 0.023 0.000 0.728 63 K CB -1.102 31.411 32.500 0.022 0.000 1.260 63 K HN 0.645 nan 8.250 nan 0.000 0.480 64 R N -0.361 120.155 120.500 0.026 0.000 3.333 64 R HA -0.211 4.129 4.340 0.000 0.000 0.256 64 R C -0.815 175.505 176.300 0.034 0.000 1.010 64 R CA 1.173 57.291 56.100 0.029 0.000 0.680 64 R CB -0.790 29.525 30.300 0.025 0.000 1.102 64 R HN 0.333 nan 8.270 nan 0.000 0.440 65 R N 0.352 120.874 120.500 0.036 0.000 2.758 65 R HA 0.553 4.893 4.340 0.000 0.000 0.265 65 R C -0.303 176.026 176.300 0.048 0.000 1.016 65 R CA -0.810 55.315 56.100 0.043 0.000 1.040 65 R CB 1.560 31.884 30.300 0.040 0.000 1.152 65 R HN 0.325 nan 8.270 nan 0.000 0.503 66 E N -0.516 119.719 120.200 0.058 0.000 2.433 66 E HA 0.680 5.030 4.350 0.000 0.000 0.278 66 E C -1.617 175.025 176.600 0.070 0.000 0.976 66 E CA -0.883 55.555 56.400 0.063 0.000 0.793 66 E CB 2.519 32.267 29.700 0.080 0.000 1.311 66 E HN 0.634 nan 8.360 nan 0.000 0.460 67 A N 0.713 123.567 122.820 0.058 0.000 2.606 67 A HA 0.682 5.002 4.320 0.000 0.000 0.293 67 A C -1.595 176.006 177.584 0.028 0.000 1.082 67 A CA -0.590 51.482 52.037 0.059 0.000 0.685 67 A CB 1.532 20.566 19.000 0.057 0.000 1.284 67 A HN 0.234 nan 8.150 nan 0.000 0.408 68 V N 0.193 120.123 119.914 0.026 0.000 2.487 68 V HA 0.611 4.731 4.120 0.000 0.000 0.298 68 V C -0.196 175.900 176.094 0.003 0.000 1.028 68 V CA -0.440 61.847 62.300 -0.022 0.000 0.860 68 V CB 0.835 32.621 31.823 -0.060 0.000 0.991 68 V HN 1.125 nan 8.190 nan 0.000 0.427 69 C N 4.670 123.966 119.300 -0.007 0.000 3.307 69 C HA 0.679 5.139 4.460 0.000 0.000 0.350 69 C C -0.838 174.154 174.990 0.004 0.000 1.549 69 C CA -0.716 58.306 59.018 0.008 0.000 1.396 69 C CB 2.093 29.843 27.740 0.016 0.000 1.970 69 C HN 0.618 nan 8.230 nan 0.000 0.441 70 I N 1.804 122.381 120.570 0.012 0.000 2.404 70 I HA 0.462 4.632 4.170 0.000 0.000 0.293 70 I C -0.187 175.939 176.117 0.015 0.000 0.992 70 I CA -0.280 61.029 61.300 0.015 0.000 1.149 70 I CB 1.304 39.315 38.000 0.018 0.000 1.315 70 I HN 0.350 nan 8.210 nan 0.000 0.446 71 V N 7.854 127.778 119.914 0.016 0.000 2.370 71 V HA 0.528 4.648 4.120 0.000 0.000 0.283 71 V C -0.249 175.854 176.094 0.015 0.000 1.023 71 V CA -0.305 62.003 62.300 0.013 0.000 0.857 71 V CB 1.473 33.300 31.823 0.006 0.000 0.985 71 V HN 0.568 nan 8.190 nan 0.000 0.443 72 L N 5.157 126.386 121.223 0.011 0.000 2.298 72 L HA 0.691 5.031 4.340 0.000 0.000 0.268 72 L C 0.391 177.262 176.870 0.001 0.000 1.010 72 L CA -0.669 54.177 54.840 0.010 0.000 0.812 72 L CB 2.360 44.426 42.059 0.012 0.000 1.331 72 L HN 0.729 nan 8.230 nan 0.000 0.450 73 S N -1.262 114.437 115.700 -0.001 0.000 2.616 73 S HA 0.448 4.918 4.470 0.000 0.000 0.277 73 S C -0.871 173.726 174.600 -0.004 0.000 1.234 73 S CA -0.648 57.547 58.200 -0.008 0.000 1.028 73 S CB 1.759 64.952 63.200 -0.012 0.000 0.988 73 S HN 0.620 nan 8.310 nan 0.000 0.522 74 D N 0.398 120.795 120.400 -0.006 0.000 2.375 74 D HA 0.125 4.765 4.640 0.000 0.000 0.241 74 D C 0.221 176.518 176.300 -0.004 0.000 1.361 74 D CA -0.417 53.582 54.000 -0.002 0.000 0.995 74 D CB 1.130 41.931 40.800 0.001 0.000 1.312 74 D HN 0.707 nan 8.370 nan 0.000 0.576 75 D N 1.288 121.686 120.400 -0.004 0.000 2.354 75 D HA -0.176 4.464 4.640 0.000 0.000 0.216 75 D C 1.232 177.530 176.300 -0.003 0.000 0.970 75 D CA 0.857 54.854 54.000 -0.005 0.000 0.905 75 D CB 0.019 40.817 40.800 -0.004 0.000 0.903 75 D HN 0.401 nan 8.370 nan 0.000 0.508 76 T N -2.429 112.125 114.554 -0.001 0.000 3.069 76 T HA 0.132 4.482 4.350 0.000 0.000 0.252 76 T C 0.903 175.603 174.700 0.001 0.000 1.053 76 T CA -0.538 61.562 62.100 0.000 0.000 0.964 76 T CB -0.524 68.345 68.868 0.001 0.000 1.005 76 T HN 0.233 nan 8.240 nan 0.000 0.532 77 C N 3.782 123.082 119.300 0.001 0.000 2.459 77 C HA 0.765 5.225 4.460 0.000 0.000 0.374 77 C C 0.871 175.860 174.990 -0.001 0.000 1.241 77 C CA -0.538 58.481 59.018 0.002 0.000 2.352 77 C CB 0.337 28.078 27.740 0.001 0.000 2.490 77 C HN 0.715 nan 8.230 nan 0.000 0.583 78 S N 3.893 119.594 115.700 0.001 0.000 2.578 78 S HA 0.308 4.778 4.470 0.000 0.000 0.283 78 S C 0.689 175.287 174.600 -0.002 0.000 1.195 78 S CA -0.534 57.666 58.200 -0.001 0.000 1.050 78 S CB 1.253 64.454 63.200 0.002 0.000 1.012 78 S HN 0.796 nan 8.310 nan 0.000 0.511 79 D N 1.185 121.581 120.400 -0.006 0.000 2.170 79 D HA -0.185 4.455 4.640 0.000 0.000 0.193 79 D C 1.544 177.840 176.300 -0.006 0.000 1.004 79 D CA 1.509 55.504 54.000 -0.009 0.000 0.860 79 D CB -0.066 40.728 40.800 -0.010 0.000 0.931 79 D HN 0.667 nan 8.370 nan 0.000 0.448 80 E N 0.678 120.877 120.200 -0.001 0.000 2.112 80 E HA -0.003 4.347 4.350 0.000 0.000 0.190 80 E C 0.568 177.172 176.600 0.006 0.000 0.979 80 E CA 0.523 56.925 56.400 0.002 0.000 0.814 80 E CB 0.260 29.962 29.700 0.004 0.000 0.762 80 E HN 0.344 nan 8.360 nan 0.000 0.460 81 K N 0.288 120.692 120.400 0.008 0.000 2.107 81 K HA 0.376 4.696 4.320 0.000 0.000 0.251 81 K C 0.123 176.730 176.600 0.010 0.000 1.012 81 K CA -0.290 56.004 56.287 0.012 0.000 0.920 81 K CB 1.386 33.895 32.500 0.015 0.000 1.033 81 K HN -0.018 nan 8.250 nan 0.000 0.478 82 I N 0.546 121.125 120.570 0.015 0.000 2.534 82 I HA 0.234 4.404 4.170 0.000 0.000 0.288 82 I C -1.000 175.128 176.117 0.019 0.000 1.077 82 I CA -0.701 60.607 61.300 0.013 0.000 1.051 82 I CB 1.270 39.278 38.000 0.013 0.000 1.234 82 I HN 0.459 nan 8.210 nan 0.000 0.425 83 R N 8.543 129.054 120.500 0.017 0.000 2.308 83 R HA 0.681 5.021 4.340 0.000 0.000 0.305 83 R C -0.826 175.488 176.300 0.023 0.000 1.053 83 R CA -0.428 55.685 56.100 0.022 0.000 0.957 83 R CB 1.336 31.648 30.300 0.019 0.000 1.022 83 R HN 0.732 nan 8.270 nan 0.000 0.461 84 M N 0.292 119.909 119.600 0.027 0.000 2.365 84 M HA 0.288 4.768 4.480 0.000 0.000 0.288 84 M C -1.282 175.036 176.300 0.030 0.000 1.152 84 M CA -1.200 54.117 55.300 0.029 0.000 0.948 84 M CB 1.934 34.550 32.600 0.028 0.000 1.729 84 M HN 0.450 nan 8.290 nan 0.000 0.487 85 N N 1.654 120.373 118.700 0.033 0.000 2.371 85 N HA 0.242 4.982 4.740 0.000 0.000 0.243 85 N C 0.362 175.886 175.510 0.024 0.000 1.287 85 N CA -0.599 52.469 53.050 0.031 0.000 0.911 85 N CB 0.725 39.235 38.487 0.038 0.000 1.142 85 N HN 0.868 nan 8.380 nan 0.000 0.451 86 R N 0.219 120.725 120.500 0.011 0.000 2.200 86 R HA -0.103 4.237 4.340 0.000 0.000 0.234 86 R C 1.030 177.334 176.300 0.006 0.000 1.127 86 R CA 0.821 56.917 56.100 -0.007 0.000 0.989 86 R CB -0.335 29.946 30.300 -0.032 0.000 0.869 86 R HN 0.589 nan 8.270 nan 0.000 0.459 87 V N -0.315 119.617 119.914 0.029 0.000 2.270 87 V HA -0.209 3.911 4.120 0.000 0.000 0.245 87 V C 2.317 178.447 176.094 0.060 0.000 1.043 87 V CA 1.524 63.855 62.300 0.051 0.000 1.014 87 V CB -0.240 31.637 31.823 0.090 0.000 0.645 87 V HN 0.120 nan 8.190 nan 0.000 0.447 88 V N -0.035 119.916 119.914 0.062 0.000 2.295 88 V HA -0.273 3.847 4.120 0.000 0.000 0.246 88 V C 2.556 178.675 176.094 0.043 0.000 1.049 88 V CA 2.340 64.676 62.300 0.059 0.000 1.024 88 V CB -0.830 31.025 31.823 0.052 0.000 0.648 88 V HN 0.467 nan 8.190 nan 0.000 0.447 89 R N 0.090 120.608 120.500 0.030 0.000 2.139 89 R HA -0.206 4.134 4.340 0.000 0.000 0.243 89 R C 2.018 178.327 176.300 0.015 0.000 1.145 89 R CA 2.181 58.292 56.100 0.019 0.000 0.976 89 R CB -0.277 30.027 30.300 0.007 0.000 0.866 89 R HN 0.687 nan 8.270 nan 0.000 0.449 90 N N -0.748 117.961 118.700 0.015 0.000 2.336 90 N HA -0.039 4.701 4.740 0.000 0.000 0.177 90 N C 1.243 176.768 175.510 0.026 0.000 1.018 90 N CA 0.687 53.743 53.050 0.011 0.000 0.878 90 N CB 0.002 38.490 38.487 0.001 0.000 0.997 90 N HN 0.312 nan 8.380 nan 0.000 0.433 91 N N 0.697 119.423 118.700 0.043 0.000 2.205 91 N HA -0.070 4.670 4.740 0.000 0.000 0.186 91 N C 1.204 176.743 175.510 0.049 0.000 1.015 91 N CA 0.658 53.743 53.050 0.058 0.000 0.862 91 N CB 0.108 38.643 38.487 0.081 0.000 0.986 91 N HN 0.187 nan 8.380 nan 0.000 0.429 92 L N 0.060 121.307 121.223 0.041 0.000 2.529 92 L HA 0.190 4.530 4.340 0.000 0.000 0.223 92 L C 0.258 177.146 176.870 0.029 0.000 1.113 92 L CA 0.017 54.879 54.840 0.036 0.000 0.861 92 L CB 0.202 42.281 42.059 0.034 0.000 1.012 92 L HN 0.103 nan 8.230 nan 0.000 0.461 93 R N -0.074 120.440 120.500 0.023 0.000 3.656 93 R HA -0.117 4.223 4.340 0.000 0.000 0.297 93 R C -0.467 175.842 176.300 0.015 0.000 1.166 93 R CA 0.834 56.944 56.100 0.017 0.000 0.799 93 R CB -2.719 27.593 30.300 0.020 0.000 1.285 93 R HN 0.324 nan 8.270 nan 0.000 0.477 94 V N -2.416 117.507 119.914 0.014 0.000 2.919 94 V HA 0.840 4.960 4.120 0.000 0.000 0.316 94 V C 0.658 176.755 176.094 0.005 0.000 1.077 94 V CA -1.217 61.092 62.300 0.015 0.000 0.977 94 V CB 3.058 34.894 31.823 0.022 0.000 1.039 94 V HN 0.034 nan 8.190 nan 0.000 0.441 95 R N 1.718 122.221 120.500 0.006 0.000 2.856 95 R HA 0.616 4.956 4.340 0.000 0.000 0.258 95 R C -0.744 175.565 176.300 0.015 0.000 1.066 95 R CA -1.066 55.031 56.100 -0.005 0.000 1.045 95 R CB 1.085 31.377 30.300 -0.013 0.000 1.178 95 R HN 0.621 nan 8.270 nan 0.000 0.499 96 L N 0.783 122.019 121.223 0.022 0.000 2.483 96 L HA 0.064 4.404 4.340 0.000 0.000 0.276 96 L C 1.690 178.596 176.870 0.060 0.000 1.213 96 L CA 1.680 56.552 54.840 0.053 0.000 0.843 96 L CB -0.162 41.956 42.059 0.098 0.000 1.107 96 L HN 1.035 nan 8.230 nan 0.000 0.487 97 G N 1.668 110.507 108.800 0.064 0.000 2.299 97 G HA2 -0.230 3.730 3.960 0.000 0.000 0.237 97 G HA3 -0.230 3.730 3.960 0.000 0.000 0.237 97 G C 0.369 175.314 174.900 0.075 0.000 1.027 97 G CA 0.116 45.261 45.100 0.075 0.000 0.619 97 G HN 0.563 nan 8.290 nan 0.000 0.513 98 D N 0.311 120.748 120.400 0.061 0.000 2.369 98 D HA 0.476 5.116 4.640 0.000 0.000 0.241 98 D C 0.911 177.240 176.300 0.048 0.000 1.271 98 D CA 0.846 54.880 54.000 0.058 0.000 0.942 98 D CB 1.443 42.268 40.800 0.043 0.000 1.129 98 D HN 1.087 nan 8.370 nan 0.000 0.476 99 V N -1.337 118.603 119.914 0.043 0.000 2.680 99 V HA 0.763 4.883 4.120 0.000 0.000 0.309 99 V C -0.412 175.699 176.094 0.029 0.000 1.052 99 V CA -0.918 61.403 62.300 0.034 0.000 0.908 99 V CB 1.382 33.223 31.823 0.030 0.000 1.001 99 V HN 0.445 nan 8.190 nan 0.000 0.431 100 I N 1.585 122.169 120.570 0.025 0.000 3.042 100 I HA 0.963 5.133 4.170 0.000 0.000 0.310 100 I C 0.006 176.134 176.117 0.018 0.000 1.117 100 I CA -1.003 60.310 61.300 0.022 0.000 1.003 100 I CB 2.086 40.100 38.000 0.023 0.000 1.228 100 I HN 0.852 nan 8.210 nan 0.000 0.443 101 S N 3.439 119.149 115.700 0.017 0.000 2.501 101 S HA 0.814 5.284 4.470 0.000 0.000 0.301 101 S C -0.560 174.047 174.600 0.011 0.000 1.096 101 S CA -0.596 57.612 58.200 0.013 0.000 1.063 101 S CB 1.332 64.541 63.200 0.014 0.000 1.042 101 S HN 0.897 nan 8.310 nan 0.000 0.494 102 I N 1.759 122.333 120.570 0.006 0.000 2.530 102 I HA 0.543 4.713 4.170 0.000 0.000 0.297 102 I C -0.870 175.247 176.117 -0.000 0.000 1.011 102 I CA -0.535 60.767 61.300 0.002 0.000 1.107 102 I CB 1.761 39.760 38.000 -0.001 0.000 1.285 102 I HN 0.926 nan 8.210 nan 0.000 0.436 103 Q N 8.745 128.542 119.800 -0.004 0.000 2.345 103 Q HA 0.556 4.896 4.340 0.000 0.000 0.275 103 Q C -2.794 173.198 176.000 -0.012 0.000 1.063 103 Q CA -1.959 53.842 55.803 -0.004 0.000 0.819 103 Q CB 2.959 31.698 28.738 0.002 0.000 1.356 103 Q HN 0.318 nan 8.270 nan 0.000 0.418 104 P HA 0.058 nan 4.420 nan 0.000 0.272 104 P C -0.604 176.679 177.300 -0.029 0.000 1.230 104 P CA -0.203 62.893 63.100 -0.007 0.000 0.788 104 P CB 0.913 32.623 31.700 0.017 0.000 0.949 105 C N 3.621 122.891 119.300 -0.049 0.000 3.471 105 C HA 0.251 4.711 4.460 0.000 0.000 0.191 105 C C -1.041 173.912 174.990 -0.062 0.000 1.480 105 C CA -1.408 57.552 59.018 -0.096 0.000 1.281 105 C CB -0.452 27.149 27.740 -0.231 0.000 1.898 105 C HN 0.487 nan 8.230 nan 0.000 0.533 106 P HA -0.080 nan 4.420 nan 0.000 0.223 106 P C 1.077 178.388 177.300 0.017 0.000 1.151 106 P CA 1.344 64.445 63.100 0.002 0.000 0.787 106 P CB 0.029 31.734 31.700 0.008 0.000 0.788 107 D N 0.282 120.704 120.400 0.036 0.000 2.378 107 D HA -0.046 4.594 4.640 0.000 0.000 0.222 107 D C 0.624 177.001 176.300 0.128 0.000 0.980 107 D CA 0.144 54.190 54.000 0.076 0.000 0.907 107 D CB -0.845 40.019 40.800 0.107 0.000 0.899 107 D HN 0.018 nan 8.370 nan 0.000 0.527 108 V N 1.245 121.227 119.914 0.113 0.000 2.763 108 V HA 0.064 4.184 4.120 0.000 0.000 0.306 108 V C 0.749 176.940 176.094 0.161 0.000 1.059 108 V CA 0.181 62.589 62.300 0.180 0.000 1.138 108 V CB 0.453 32.316 31.823 0.067 0.000 0.940 108 V HN 0.259 nan 8.190 nan 0.000 0.489 109 K N 2.932 123.454 120.400 0.203 0.000 2.480 109 K HA 0.539 4.859 4.320 0.000 0.000 0.258 109 K C -1.404 175.382 176.600 0.310 0.000 0.990 109 K CA -1.157 55.247 56.287 0.195 0.000 0.857 109 K CB 0.982 33.543 32.500 0.101 0.000 1.384 109 K HN 0.223 nan 8.250 nan 0.000 0.446 110 Y N 1.374 121.710 120.300 0.061 0.000 2.895 110 Y HA 0.037 4.587 4.550 0.000 0.000 0.334 110 Y C 1.341 177.261 175.900 0.033 0.000 1.261 110 Y CA 0.385 58.519 58.100 0.058 0.000 1.560 110 Y CB -0.279 38.216 38.460 0.059 0.000 1.253 110 Y HN 0.798 nan 8.280 nan 0.000 0.582 111 G N 3.256 112.116 108.800 0.100 0.000 2.527 111 G HA2 0.252 4.213 3.960 0.000 0.000 0.248 111 G HA3 0.252 4.213 3.960 0.000 0.000 0.248 111 G C 0.603 175.512 174.900 0.015 0.000 1.231 111 G CA -0.454 44.664 45.100 0.030 0.000 0.838 111 G HN 0.648 nan 8.290 nan 0.000 0.570 112 K N 0.045 120.447 120.400 0.002 0.000 2.230 112 K HA 0.226 4.546 4.320 0.000 0.000 0.219 112 K C 1.318 177.897 176.600 -0.036 0.000 1.033 112 K CA 0.583 56.868 56.287 -0.002 0.000 0.937 112 K CB 0.223 32.727 32.500 0.005 0.000 1.018 112 K HN 0.525 nan 8.250 nan 0.000 0.463 113 R N -0.364 120.105 120.500 -0.052 0.000 2.923 113 R HA 0.595 4.935 4.340 0.000 0.000 0.252 113 R C -0.786 175.444 176.300 -0.116 0.000 1.130 113 R CA -0.853 55.177 56.100 -0.115 0.000 1.043 113 R CB 1.602 31.823 30.300 -0.131 0.000 1.205 113 R HN 0.096 nan 8.270 nan 0.000 0.495 114 I N 1.043 121.489 120.570 -0.207 0.000 2.715 114 I HA 0.156 4.326 4.170 0.000 0.000 0.288 114 I C -1.593 174.396 176.117 -0.213 0.000 1.371 114 I CA -0.619 60.610 61.300 -0.119 0.000 1.056 114 I CB 2.231 40.115 38.000 -0.195 0.000 1.339 114 I HN 0.598 nan 8.210 nan 0.000 0.425 115 H N 4.961 123.966 119.070 -0.110 0.000 2.505 115 H HA 0.714 5.270 4.556 0.000 0.000 0.338 115 H C -0.682 174.667 175.328 0.035 0.000 1.057 115 H CA -0.664 55.359 56.048 -0.041 0.000 1.202 115 H CB 1.900 31.628 29.762 -0.057 0.000 1.466 115 H HN 0.294 nan 8.280 nan 0.000 0.499 116 V N 1.991 121.994 119.914 0.149 0.000 2.971 116 V HA 0.683 4.803 4.120 0.000 0.000 0.309 116 V C -1.344 174.876 176.094 0.209 0.000 1.130 116 V CA -0.852 61.572 62.300 0.207 0.000 0.964 116 V CB 2.064 34.049 31.823 0.271 0.000 1.029 116 V HN 0.604 nan 8.190 nan 0.000 0.427 117 L N 3.924 125.285 121.223 0.229 0.000 2.371 117 L HA 0.711 5.051 4.340 0.000 0.000 0.262 117 L C -2.622 174.362 176.870 0.191 0.000 1.006 117 L CA -1.904 53.056 54.840 0.199 0.000 0.818 117 L CB 3.322 45.447 42.059 0.109 0.000 1.354 117 L HN 0.506 nan 8.230 nan 0.000 0.415 118 P HA 0.259 nan 4.420 nan 0.000 0.282 118 P C -0.739 176.429 177.300 -0.219 0.000 1.249 118 P CA -0.332 62.607 63.100 -0.270 0.000 0.806 118 P CB 1.345 32.842 31.700 -0.337 0.000 0.984 119 I N 3.113 123.499 120.570 -0.307 0.000 2.379 119 I HA -0.035 4.135 4.170 0.000 0.000 0.290 119 I C 1.680 177.683 176.117 -0.191 0.000 1.063 119 I CA -0.018 61.160 61.300 -0.203 0.000 1.351 119 I CB 0.488 38.364 38.000 -0.207 0.000 1.410 119 I HN 0.431 nan 8.210 nan 0.000 0.505 120 D N 4.687 125.012 120.400 -0.126 0.000 2.191 120 D HA -0.339 4.301 4.640 0.000 0.000 0.190 120 D C 1.107 177.339 176.300 -0.113 0.000 1.007 120 D CA 1.993 55.930 54.000 -0.104 0.000 0.865 120 D CB -0.470 40.289 40.800 -0.067 0.000 0.929 120 D HN 0.693 nan 8.370 nan 0.000 0.447 121 D N -0.983 119.352 120.400 -0.110 0.000 2.346 121 D HA -0.017 4.623 4.640 0.000 0.000 0.248 121 D C 1.007 177.228 176.300 -0.132 0.000 1.173 121 D CA 0.892 54.831 54.000 -0.102 0.000 0.878 121 D CB -0.578 40.173 40.800 -0.082 0.000 0.919 121 D HN 0.480 nan 8.370 nan 0.000 0.513 122 T N -4.008 110.438 114.554 -0.180 0.000 3.058 122 T HA 0.162 4.512 4.350 0.000 0.000 0.278 122 T C 1.080 175.630 174.700 -0.249 0.000 0.974 122 T CA 0.275 62.237 62.100 -0.229 0.000 0.893 122 T CB -0.058 68.619 68.868 -0.318 0.000 1.138 122 T HN 0.110 nan 8.240 nan 0.000 0.529 123 V N -2.346 117.447 119.914 -0.201 0.000 3.398 123 V HA 0.474 4.594 4.120 0.000 0.000 0.298 123 V C 0.175 176.212 176.094 -0.095 0.000 1.496 123 V CA -0.821 61.378 62.300 -0.169 0.000 1.044 123 V CB -0.279 31.434 31.823 -0.184 0.000 0.880 123 V HN 0.285 nan 8.190 nan 0.000 0.443 124 E N 1.484 121.633 120.200 -0.085 0.000 2.418 124 E HA 0.440 4.790 4.350 0.000 0.000 0.261 124 E C 1.383 177.958 176.600 -0.043 0.000 1.070 124 E CA 1.000 57.367 56.400 -0.054 0.000 0.931 124 E CB 0.708 30.377 29.700 -0.051 0.000 0.954 124 E HN 0.563 nan 8.360 nan 0.000 0.439 125 G N 1.922 110.706 108.800 -0.026 0.000 2.336 125 G HA2 -0.283 3.677 3.960 0.000 0.000 0.233 125 G HA3 -0.283 3.677 3.960 0.000 0.000 0.233 125 G C 0.390 175.287 174.900 -0.005 0.000 1.053 125 G CA 0.354 45.444 45.100 -0.016 0.000 0.625 125 G HN 0.566 nan 8.290 nan 0.000 0.511 126 I N -1.498 119.069 120.570 -0.004 0.000 2.982 126 I HA 0.902 5.072 4.170 0.000 0.000 0.312 126 I C -0.059 176.071 176.117 0.022 0.000 1.041 126 I CA -0.543 60.767 61.300 0.017 0.000 1.053 126 I CB 2.228 40.253 38.000 0.041 0.000 1.248 126 I HN 0.161 nan 8.210 nan 0.000 0.471 127 T N 0.926 115.503 114.554 0.037 0.000 2.894 127 T HA 0.756 5.106 4.350 0.000 0.000 0.309 127 T C -0.523 174.211 174.700 0.058 0.000 1.208 127 T CA 0.286 62.410 62.100 0.040 0.000 1.016 127 T CB 1.490 70.374 68.868 0.027 0.000 1.192 127 T HN 1.564 nan 8.240 nan 0.000 0.491 128 G N 2.355 111.195 108.800 0.066 0.000 2.346 128 G HA2 0.072 4.032 3.960 0.000 0.000 0.294 128 G HA3 0.072 4.032 3.960 0.000 0.000 0.294 128 G C -1.249 173.714 174.900 0.104 0.000 1.294 128 G CA -0.539 44.605 45.100 0.075 0.000 0.962 128 G HN 0.950 nan 8.290 nan 0.000 0.508 129 N N 0.545 119.308 118.700 0.105 0.000 2.469 129 N HA 0.391 5.131 4.740 0.000 0.000 0.239 129 N C 1.643 177.269 175.510 0.194 0.000 1.053 129 N CA -0.710 52.423 53.050 0.138 0.000 0.937 129 N CB 0.267 38.813 38.487 0.097 0.000 1.163 129 N HN 0.461 nan 8.380 nan 0.000 0.509 130 L N 3.052 124.449 121.223 0.289 0.000 2.027 130 L HA -0.122 4.218 4.340 0.000 0.000 0.206 130 L C 2.079 179.204 176.870 0.425 0.000 1.074 130 L CA 0.792 55.912 54.840 0.467 0.000 0.745 130 L CB -0.629 41.726 42.059 0.494 0.000 0.898 130 L HN 0.552 nan 8.230 nan 0.000 0.433 131 F N 1.627 121.685 119.950 0.181 0.000 2.045 131 F HA -0.334 4.193 4.527 -0.000 0.000 0.297 131 F C 2.520 178.378 175.800 0.096 0.000 1.114 131 F CA 2.273 60.337 58.000 0.106 0.000 1.207 131 F CB -0.605 38.431 39.000 0.059 0.000 0.964 131 F HN 0.160 nan 8.300 nan 0.000 0.486 132 E N -0.217 119.848 120.200 -0.225 0.000 2.031 132 E HA -0.165 4.185 4.350 0.000 0.000 0.193 132 E C 2.179 178.663 176.600 -0.194 0.000 0.994 132 E CA 1.839 58.028 56.400 -0.351 0.000 0.800 132 E CB -0.234 29.347 29.700 -0.199 0.000 0.752 132 E HN 0.322 nan 8.360 nan 0.000 0.447 133 V N -0.024 119.832 119.914 -0.096 0.000 2.427 133 V HA -0.199 3.921 4.120 0.000 0.000 0.248 133 V C 1.407 177.265 176.094 -0.393 0.000 1.051 133 V CA 1.678 63.840 62.300 -0.230 0.000 1.048 133 V CB -0.438 31.240 31.823 -0.242 0.000 0.666 133 V HN 0.321 nan 8.190 nan 0.000 0.456 134 Y N -2.272 118.082 120.300 0.090 0.000 2.624 134 Y HA 0.235 4.785 4.550 0.000 0.000 0.260 134 Y C 2.039 178.008 175.900 0.115 0.000 1.090 134 Y CA -0.154 58.025 58.100 0.132 0.000 1.347 134 Y CB -0.642 37.989 38.460 0.286 0.000 1.349 134 Y HN -0.094 nan 8.280 nan 0.000 0.502 135 L N 1.036 122.429 121.223 0.284 0.000 1.963 135 L HA -0.276 4.064 4.340 0.000 0.000 0.220 135 L C 2.299 179.425 176.870 0.428 0.000 1.076 135 L CA 2.072 57.156 54.840 0.406 0.000 0.772 135 L CB -1.575 40.797 42.059 0.522 0.000 0.892 135 L HN 0.223 nan 8.230 nan 0.000 0.435 136 K N 0.162 120.670 120.400 0.179 0.000 2.032 136 K HA -0.202 4.118 4.320 0.000 0.000 0.218 136 K C -0.330 176.296 176.600 0.044 0.000 1.054 136 K CA 2.100 58.382 56.287 -0.007 0.000 0.941 136 K CB -1.442 30.818 32.500 -0.400 0.000 0.720 136 K HN 0.193 nan 8.250 nan 0.000 0.449 137 P HA -0.132 nan 4.420 nan 0.000 0.215 137 P C 0.973 178.298 177.300 0.043 0.000 1.157 137 P CA 1.126 64.230 63.100 0.008 0.000 0.863 137 P CB -0.228 31.461 31.700 -0.018 0.000 0.787 138 Y N -0.451 119.802 120.300 -0.077 0.000 2.102 138 Y HA -0.266 4.284 4.550 0.000 0.000 0.280 138 Y C 1.973 177.664 175.900 -0.350 0.000 1.178 138 Y CA 1.713 59.681 58.100 -0.221 0.000 1.146 138 Y CB -1.114 37.160 38.460 -0.310 0.000 0.968 138 Y HN -0.158 nan 8.280 nan 0.000 0.504 139 F N -0.630 119.252 119.950 -0.113 0.000 2.147 139 F HA 0.025 4.552 4.527 -0.000 0.000 0.291 139 F C 0.860 176.511 175.800 -0.249 0.000 1.093 139 F CA 0.494 58.331 58.000 -0.272 0.000 1.263 139 F CB -1.081 37.824 39.000 -0.158 0.000 1.036 139 F HN -0.124 nan 8.300 nan 0.000 0.481 140 L N 2.691 123.928 121.223 0.023 0.000 4.305 140 L HA -0.303 4.037 4.340 0.000 0.000 0.522 140 L C 0.829 177.612 176.870 -0.146 0.000 0.928 140 L CA 0.160 54.961 54.840 -0.064 0.000 0.590 140 L CB -0.609 41.422 42.059 -0.046 0.000 0.860 140 L HN 0.564 nan 8.230 nan 0.000 1.016 141 E N 1.245 121.294 120.200 -0.252 0.000 2.670 141 E HA -0.376 3.974 4.350 0.000 0.000 0.257 141 E C 1.175 177.633 176.600 -0.236 0.000 1.186 141 E CA 0.622 56.821 56.400 -0.335 0.000 0.734 141 E CB -1.300 28.357 29.700 -0.072 0.000 1.325 141 E HN 0.827 nan 8.360 nan 0.000 0.426 142 A N -0.395 122.273 122.820 -0.252 0.000 2.169 142 A HA 0.148 4.468 4.320 0.000 0.000 0.210 142 A C 0.377 177.993 177.584 0.053 0.000 1.168 142 A CA 0.480 52.475 52.037 -0.070 0.000 0.813 142 A CB -0.149 18.749 19.000 -0.170 0.000 0.861 142 A HN 0.396 nan 8.150 nan 0.000 0.481 143 Y N -0.214 120.036 120.300 -0.083 0.000 3.125 143 Y HA -0.222 4.328 4.550 0.000 0.000 0.200 143 Y C 0.421 176.281 175.900 -0.065 0.000 1.373 143 Y CA 0.417 58.459 58.100 -0.097 0.000 1.180 143 Y CB -2.106 36.303 38.460 -0.084 0.000 1.381 143 Y HN 0.392 nan 8.280 nan 0.000 0.501 144 R N 2.264 122.767 120.500 0.004 0.000 2.347 144 R HA 0.226 4.566 4.340 0.000 0.000 0.304 144 R C -2.234 174.090 176.300 0.040 0.000 1.072 144 R CA -1.468 54.627 56.100 -0.009 0.000 0.980 144 R CB 0.403 30.636 30.300 -0.111 0.000 0.986 144 R HN 0.085 nan 8.270 nan 0.000 0.448 145 P HA 0.183 nan 4.420 nan 0.000 0.286 145 P C -0.687 176.651 177.300 0.064 0.000 1.269 145 P CA -0.249 62.884 63.100 0.055 0.000 0.787 145 P CB 0.890 32.612 31.700 0.037 0.000 0.920 146 I N 0.243 120.864 120.570 0.086 0.000 2.730 146 I HA 0.689 4.859 4.170 0.000 0.000 0.298 146 I C -0.762 175.442 176.117 0.145 0.000 1.089 146 I CA -1.319 60.044 61.300 0.105 0.000 1.041 146 I CB 3.050 41.105 38.000 0.092 0.000 1.235 146 I HN 0.106 nan 8.210 nan 0.000 0.423 147 R N 4.501 125.094 120.500 0.155 0.000 2.664 147 R HA 0.427 4.767 4.340 0.000 0.000 0.286 147 R C -0.784 175.603 176.300 0.146 0.000 0.967 147 R CA -0.764 55.447 56.100 0.185 0.000 0.933 147 R CB 1.954 32.365 30.300 0.184 0.000 1.146 147 R HN 0.940 nan 8.270 nan 0.000 0.468 148 K N 0.845 121.316 120.400 0.117 0.000 2.440 148 K HA 0.037 4.357 4.320 0.000 0.000 0.270 148 K C 0.519 177.179 176.600 0.100 0.000 0.980 148 K CA 1.579 57.922 56.287 0.093 0.000 0.953 148 K CB 0.149 32.679 32.500 0.050 0.000 0.925 148 K HN 0.795 nan 8.250 nan 0.000 0.497 149 G N 2.265 111.126 108.800 0.102 0.000 2.179 149 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 149 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 149 G C -0.234 174.737 174.900 0.119 0.000 0.977 149 G CA 0.382 45.539 45.100 0.095 0.000 0.641 149 G HN 0.740 nan 8.290 nan 0.000 0.533 150 D N 0.185 120.682 120.400 0.161 0.000 2.399 150 D HA 0.497 5.137 4.640 0.000 0.000 0.241 150 D C 0.775 177.223 176.300 0.248 0.000 1.133 150 D CA 0.334 54.455 54.000 0.201 0.000 0.890 150 D CB 0.718 41.663 40.800 0.241 0.000 1.201 150 D HN 0.298 nan 8.370 nan 0.000 0.432 151 I N 2.827 123.526 120.570 0.216 0.000 2.447 151 I HA 0.303 4.473 4.170 0.000 0.000 0.287 151 I C -0.736 175.508 176.117 0.211 0.000 1.023 151 I CA -0.904 60.485 61.300 0.150 0.000 1.083 151 I CB 0.915 38.938 38.000 0.038 0.000 1.245 151 I HN 0.206 nan 8.210 nan 0.000 0.434 152 F N 6.094 126.098 119.950 0.090 0.000 2.577 152 F HA 0.777 5.304 4.527 0.000 0.000 0.318 152 F C -1.453 174.334 175.800 -0.022 0.000 1.065 152 F CA -1.327 56.703 58.000 0.049 0.000 0.929 152 F CB 1.144 40.200 39.000 0.093 0.000 1.237 152 F HN 0.211 nan 8.300 nan 0.000 0.468 153 L N 2.519 123.749 121.223 0.012 0.000 2.334 153 L HA 0.859 5.199 4.340 0.000 0.000 0.275 153 L C -1.195 175.608 176.870 -0.112 0.000 1.036 153 L CA -0.731 54.045 54.840 -0.108 0.000 0.807 153 L CB 1.910 43.934 42.059 -0.057 0.000 1.231 153 L HN 0.642 nan 8.230 nan 0.000 0.438 154 V N 4.544 124.405 119.914 -0.088 0.000 2.623 154 V HA 0.561 4.681 4.120 0.000 0.000 0.304 154 V C -0.466 175.733 176.094 0.176 0.000 1.054 154 V CA -0.772 61.542 62.300 0.024 0.000 0.882 154 V CB 1.782 33.696 31.823 0.151 0.000 1.002 154 V HN 0.711 nan 8.190 nan 0.000 0.424 155 R N 2.588 123.198 120.500 0.184 0.000 2.428 155 R HA 0.876 5.216 4.340 0.000 0.000 0.294 155 R C 0.231 176.662 176.300 0.219 0.000 1.000 155 R CA -0.423 55.791 56.100 0.190 0.000 0.960 155 R CB 1.982 32.340 30.300 0.098 0.000 1.076 155 R HN 1.003 nan 8.270 nan 0.000 0.475 156 G N -0.835 108.107 108.800 0.236 0.000 2.313 156 G HA2 0.326 4.286 3.960 0.000 0.000 0.296 156 G HA3 0.326 4.286 3.960 0.000 0.000 0.296 156 G C -0.007 174.956 174.900 0.105 0.000 1.356 156 G CA -0.265 44.875 45.100 0.066 0.000 0.833 156 G HN 0.738 nan 8.290 nan 0.000 0.552 157 G N -0.469 108.335 108.800 0.006 0.000 2.402 157 G HA2 -0.049 3.911 3.960 0.000 0.000 0.300 157 G HA3 -0.049 3.911 3.960 0.000 0.000 0.300 157 G C 0.948 175.888 174.900 0.067 0.000 0.987 157 G CA 1.404 46.529 45.100 0.041 0.000 0.881 157 G HN 1.909 nan 8.290 nan 0.000 0.512 158 M N -2.635 117.000 119.600 0.058 0.000 2.298 158 M HA -0.234 4.246 4.480 0.000 0.000 0.196 158 M C 0.649 176.980 176.300 0.052 0.000 0.531 158 M CA 1.883 57.212 55.300 0.049 0.000 0.459 158 M CB -1.419 31.199 32.600 0.030 0.000 1.279 158 M HN 1.312 nan 8.290 nan 0.000 0.915 159 R N -1.512 119.031 120.500 0.072 0.000 3.012 159 R HA 0.850 5.190 4.340 0.000 0.000 0.287 159 R C -1.960 174.374 176.300 0.056 0.000 0.990 159 R CA -0.604 55.521 56.100 0.043 0.000 0.839 159 R CB 0.886 31.202 30.300 0.026 0.000 1.317 159 R HN 0.394 nan 8.270 nan 0.000 0.518 160 A N 1.128 123.931 122.820 -0.028 0.000 2.343 160 A HA 0.712 5.032 4.320 0.000 0.000 0.316 160 A C -0.936 176.506 177.584 -0.236 0.000 1.104 160 A CA -0.808 51.187 52.037 -0.070 0.000 0.768 160 A CB 1.925 20.886 19.000 -0.064 0.000 1.213 160 A HN 0.402 nan 8.150 nan 0.000 0.456 161 V N 2.193 121.862 119.914 -0.407 0.000 2.483 161 V HA 0.361 4.481 4.120 0.000 0.000 0.295 161 V C 0.055 175.717 176.094 -0.720 0.000 1.035 161 V CA -0.497 61.384 62.300 -0.698 0.000 0.896 161 V CB 1.501 32.622 31.823 -1.170 0.000 0.986 161 V HN 0.961 nan 8.190 nan 0.000 0.447 162 E N 3.243 122.999 120.200 -0.740 0.000 2.175 162 E HA 0.568 4.918 4.350 0.000 0.000 0.278 162 E C -1.598 174.473 176.600 -0.881 0.000 0.969 162 E CA -0.284 55.735 56.400 -0.635 0.000 0.796 162 E CB 1.574 31.046 29.700 -0.380 0.000 1.104 162 E HN 0.515 nan 8.360 nan 0.000 0.395 163 F N 1.927 121.466 119.950 -0.684 0.000 2.540 163 F HA 0.353 4.880 4.527 0.000 0.000 0.317 163 F C 0.141 175.657 175.800 -0.473 0.000 1.104 163 F CA -1.000 56.604 58.000 -0.660 0.000 0.913 163 F CB 1.674 40.082 39.000 -0.987 0.000 1.170 163 F HN 0.195 nan 8.300 nan 0.000 0.450 164 K N 1.844 122.268 120.400 0.040 0.000 2.164 164 K HA 0.709 5.029 4.320 0.000 0.000 0.258 164 K C -1.553 175.192 176.600 0.242 0.000 0.951 164 K CA -0.565 55.796 56.287 0.123 0.000 0.844 164 K CB 1.604 34.143 32.500 0.065 0.000 1.099 164 K HN 0.468 nan 8.250 nan 0.000 0.435 165 V N 5.746 125.828 119.914 0.281 0.000 2.356 165 V HA 0.044 4.164 4.120 0.000 0.000 0.258 165 V C 0.937 177.124 176.094 0.156 0.000 1.065 165 V CA -0.442 62.011 62.300 0.255 0.000 0.935 165 V CB 0.851 32.825 31.823 0.252 0.000 1.061 165 V HN 0.778 nan 8.190 nan 0.000 0.484 166 V N 3.180 123.177 119.914 0.138 0.000 2.719 166 V HA 0.068 4.188 4.120 0.000 0.000 0.252 166 V C 0.684 176.799 176.094 0.034 0.000 1.065 166 V CA 1.219 63.568 62.300 0.082 0.000 1.086 166 V CB -0.335 31.538 31.823 0.085 0.000 0.700 166 V HN 0.974 nan 8.190 nan 0.000 0.467 167 E N -0.417 119.810 120.200 0.046 0.000 2.472 167 E HA 0.349 4.699 4.350 0.000 0.000 0.290 167 E C -0.709 175.910 176.600 0.031 0.000 1.059 167 E CA -0.086 56.305 56.400 -0.014 0.000 0.861 167 E CB 1.234 30.842 29.700 -0.153 0.000 1.213 167 E HN 0.215 nan 8.360 nan 0.000 0.425 168 T N 0.446 115.003 114.554 0.006 0.000 2.887 168 T HA 0.425 4.775 4.350 0.000 0.000 0.288 168 T C 0.450 175.140 174.700 -0.018 0.000 1.021 168 T CA -0.496 61.610 62.100 0.010 0.000 1.000 168 T CB 1.675 70.552 68.868 0.016 0.000 1.034 168 T HN 0.436 nan 8.240 nan 0.000 0.467 169 D N 1.672 122.063 120.400 -0.016 0.000 2.087 169 D HA 0.013 4.653 4.640 0.000 0.000 0.203 169 D C -1.496 174.785 176.300 -0.032 0.000 0.976 169 D CA 0.699 54.684 54.000 -0.026 0.000 0.865 169 D CB -0.941 39.848 40.800 -0.018 0.000 1.005 169 D HN 0.400 nan 8.370 nan 0.000 0.449 170 P HA 0.060 nan 4.420 nan 0.000 0.263 170 P C -0.907 176.351 177.300 -0.070 0.000 1.247 170 P CA 0.216 63.298 63.100 -0.030 0.000 0.876 170 P CB 0.759 32.469 31.700 0.016 0.000 0.928 171 S N 4.141 119.776 115.700 -0.108 0.000 2.610 171 S HA 0.435 4.905 4.470 0.000 0.000 0.273 171 S C -1.218 173.207 174.600 -0.292 0.000 1.274 171 S CA -1.457 56.658 58.200 -0.142 0.000 1.023 171 S CB 0.269 63.407 63.200 -0.103 0.000 0.962 171 S HN 0.327 nan 8.310 nan 0.000 0.523 172 P HA 0.221 nan 4.420 nan 0.000 0.267 172 P C -1.095 176.177 177.300 -0.047 0.000 1.289 172 P CA 0.110 63.111 63.100 -0.165 0.000 0.866 172 P CB -0.035 31.602 31.700 -0.104 0.000 1.309 173 Y N -0.373 119.944 120.300 0.027 0.000 2.581 173 Y HA 0.677 5.227 4.550 0.000 0.000 0.345 173 Y C -0.403 175.517 175.900 0.034 0.000 1.036 173 Y CA -2.303 55.817 58.100 0.034 0.000 1.042 173 Y CB 0.591 39.074 38.460 0.039 0.000 1.289 173 Y HN 0.126 nan 8.280 nan 0.000 0.471 174 C N 0.727 120.203 119.300 0.294 0.000 3.216 174 C HA 0.766 5.226 4.460 0.000 0.000 0.346 174 C C -1.496 173.573 174.990 0.132 0.000 1.384 174 C CA -1.282 57.860 59.018 0.207 0.000 1.208 174 C CB 0.718 28.528 27.740 0.117 0.000 1.483 174 C HN 1.065 nan 8.230 nan 0.000 0.453 175 I N 1.774 122.415 120.570 0.117 0.000 2.392 175 I HA 0.475 4.645 4.170 0.000 0.000 0.295 175 I C -0.188 175.892 176.117 -0.063 0.000 0.985 175 I CA -0.681 60.653 61.300 0.057 0.000 1.221 175 I CB 1.945 40.019 38.000 0.122 0.000 1.366 175 I HN 0.586 nan 8.210 nan 0.000 0.467 176 V N 6.436 126.283 119.914 -0.113 0.000 2.339 176 V HA 0.404 4.524 4.120 0.000 0.000 0.261 176 V C 0.610 176.505 176.094 -0.332 0.000 1.058 176 V CA -0.330 61.824 62.300 -0.242 0.000 0.897 176 V CB 0.373 31.980 31.823 -0.360 0.000 1.052 176 V HN 0.813 nan 8.190 nan 0.000 0.480 177 A N 7.630 130.211 122.820 -0.398 0.000 2.281 177 A HA 0.778 5.098 4.320 0.000 0.000 0.329 177 A C -0.888 176.474 177.584 -0.370 0.000 1.122 177 A CA -1.771 49.941 52.037 -0.542 0.000 0.850 177 A CB 0.743 19.305 19.000 -0.729 0.000 1.207 177 A HN 0.570 nan 8.150 nan 0.000 0.495 178 P HA -0.192 nan 4.420 nan 0.000 0.221 178 P C -0.120 177.125 177.300 -0.091 0.000 1.141 178 P CA 1.819 64.813 63.100 -0.177 0.000 0.794 178 P CB 0.051 31.691 31.700 -0.100 0.000 0.764 179 D N -1.743 118.610 120.400 -0.078 0.000 2.366 179 D HA -0.003 4.637 4.640 0.000 0.000 0.205 179 D C 0.296 176.568 176.300 -0.047 0.000 1.022 179 D CA 0.348 54.331 54.000 -0.028 0.000 0.868 179 D CB -0.633 40.184 40.800 0.028 0.000 0.953 179 D HN 0.047 nan 8.370 nan 0.000 0.514 180 T N 1.683 116.177 114.554 -0.099 0.000 2.792 180 T HA 0.085 4.435 4.350 0.000 0.000 0.286 180 T C 0.456 175.088 174.700 -0.114 0.000 0.970 180 T CA -0.099 61.932 62.100 -0.115 0.000 1.187 180 T CB 0.757 69.512 68.868 -0.188 0.000 0.915 180 T HN -0.160 nan 8.240 nan 0.000 0.529 181 V N 5.520 125.385 119.914 -0.082 0.000 2.715 181 V HA 0.241 4.361 4.120 0.000 0.000 0.299 181 V C 0.520 176.538 176.094 -0.128 0.000 1.054 181 V CA -0.108 62.151 62.300 -0.069 0.000 1.077 181 V CB 0.683 32.508 31.823 0.004 0.000 0.972 181 V HN 0.723 nan 8.190 nan 0.000 0.484 182 I N 4.807 125.266 120.570 -0.186 0.000 2.448 182 I HA 0.377 4.547 4.170 0.000 0.000 0.281 182 I C -0.027 175.909 176.117 -0.301 0.000 1.027 182 I CA -0.392 60.738 61.300 -0.284 0.000 1.111 182 I CB 0.719 38.494 38.000 -0.376 0.000 1.236 182 I HN 0.633 nan 8.210 nan 0.000 0.452 183 H N 4.324 123.099 119.070 -0.492 0.000 2.511 183 H HA 0.216 4.772 4.556 0.000 0.000 0.346 183 H C -0.229 174.915 175.328 -0.306 0.000 1.128 183 H CA -0.471 55.302 56.048 -0.458 0.000 1.342 183 H CB 2.449 31.806 29.762 -0.675 0.000 1.470 183 H HN 0.619 nan 8.280 nan 0.000 0.546 184 C N 4.167 123.403 119.300 -0.107 0.000 3.214 184 C HA -0.001 4.459 4.460 0.000 0.000 0.261 184 C C 0.067 175.075 174.990 0.029 0.000 2.279 184 C CA -0.676 58.330 59.018 -0.019 0.000 1.606 184 C CB -1.294 26.422 27.740 -0.039 0.000 3.251 184 C HN 0.810 nan 8.230 nan 0.000 0.443 185 E N 0.572 120.795 120.200 0.039 0.000 3.298 185 E HA -0.078 4.272 4.350 0.000 0.000 0.224 185 E C 1.414 178.047 176.600 0.055 0.000 1.033 185 E CA 0.767 57.196 56.400 0.049 0.000 0.929 185 E CB -0.749 29.001 29.700 0.084 0.000 0.920 185 E HN 0.769 nan 8.360 nan 0.000 0.564 186 G N 2.792 111.619 108.800 0.044 0.000 5.436 186 G HA2 -0.330 3.630 3.960 0.000 0.000 0.217 186 G HA3 -0.330 3.630 3.960 0.000 0.000 0.217 186 G C 0.277 175.201 174.900 0.040 0.000 1.023 186 G CA 1.082 46.209 45.100 0.045 0.000 0.516 186 G HN 0.460 nan 8.290 nan 0.000 0.895 187 E N 0.040 120.265 120.200 0.042 0.000 2.155 187 E HA 0.467 4.817 4.350 0.000 0.000 0.264 187 E C -2.494 174.121 176.600 0.025 0.000 0.886 187 E CA -2.506 53.911 56.400 0.028 0.000 0.752 187 E CB 1.632 31.347 29.700 0.025 0.000 1.133 187 E HN -0.070 nan 8.360 nan 0.000 0.414 188 P HA 0.164 nan 4.420 nan 0.000 0.275 188 P C -0.228 177.060 177.300 -0.020 0.000 1.276 188 P CA -0.171 62.919 63.100 -0.017 0.000 0.782 188 P CB 0.017 31.693 31.700 -0.041 0.000 0.851 189 I N 0.994 121.553 120.570 -0.017 0.000 2.836 189 I HA 0.221 4.391 4.170 0.000 0.000 0.285 189 I C 0.603 176.700 176.117 -0.034 0.000 1.174 189 I CA -0.762 60.528 61.300 -0.016 0.000 1.405 189 I CB 0.438 38.435 38.000 -0.005 0.000 1.385 189 I HN 0.173 nan 8.210 nan 0.000 0.594 190 K N 5.231 125.615 120.400 -0.026 0.000 2.174 190 K HA 0.327 4.647 4.320 0.000 0.000 0.275 190 K C -0.403 176.178 176.600 -0.032 0.000 1.015 190 K CA -0.562 55.706 56.287 -0.031 0.000 0.933 190 K CB 1.388 33.875 32.500 -0.021 0.000 1.025 190 K HN 0.845 nan 8.250 nan 0.000 0.463 191 R N 1.395 121.871 120.500 -0.041 0.000 2.643 191 R HA -0.001 4.339 4.340 0.000 0.000 0.270 191 R C -0.618 175.668 176.300 -0.024 0.000 1.061 191 R CA 0.042 56.118 56.100 -0.039 0.000 1.107 191 R CB 0.537 30.807 30.300 -0.049 0.000 0.999 191 R HN 0.560 nan 8.270 nan 0.000 0.460 192 E N 2.802 122.991 120.200 -0.019 0.000 2.156 192 E HA 0.026 4.376 4.350 0.000 0.000 0.279 192 E C 0.065 176.660 176.600 -0.008 0.000 0.965 192 E CA -0.305 56.090 56.400 -0.009 0.000 0.789 192 E CB 1.653 31.351 29.700 -0.004 0.000 1.098 192 E HN 0.688 nan 8.360 nan 0.000 0.397 193 D N 2.618 123.016 120.400 -0.004 0.000 2.558 193 D HA -0.279 4.361 4.640 0.000 0.000 0.190 193 D C 1.086 177.387 176.300 0.002 0.000 1.047 193 D CA 2.137 56.138 54.000 0.001 0.000 0.880 193 D CB 0.405 41.208 40.800 0.006 0.000 0.926 193 D HN 0.459 nan 8.370 nan 0.000 0.465 194 E N 0.456 120.658 120.200 0.003 0.000 2.485 194 E HA -0.049 4.301 4.350 0.000 0.000 0.194 194 E C -0.330 176.270 176.600 -0.001 0.000 1.098 194 E CA 0.341 56.743 56.400 0.004 0.000 0.878 194 E CB -0.511 29.194 29.700 0.008 0.000 0.939 194 E HN 0.503 nan 8.360 nan 0.000 0.503 195 E N 2.053 122.248 120.200 -0.008 0.000 2.400 195 E HA 0.159 4.509 4.350 0.000 0.000 0.232 195 E C -0.782 175.801 176.600 -0.027 0.000 0.988 195 E CA -0.305 56.087 56.400 -0.015 0.000 0.823 195 E CB 0.553 30.243 29.700 -0.016 0.000 1.246 195 E HN 0.238 nan 8.360 nan 0.000 0.441 196 E N 1.392 121.575 120.200 -0.028 0.000 2.529 196 E HA -0.028 4.322 4.350 0.000 0.000 0.259 196 E C 0.077 176.644 176.600 -0.055 0.000 0.966 196 E CA 0.258 56.633 56.400 -0.041 0.000 0.937 196 E CB 0.733 30.404 29.700 -0.047 0.000 0.923 196 E HN 0.171 nan 8.360 nan 0.000 0.468 197 S N 2.507 118.168 115.700 -0.065 0.000 2.572 197 S HA 0.040 4.510 4.470 0.000 0.000 0.279 197 S C 0.982 175.532 174.600 -0.083 0.000 1.341 197 S CA -0.464 57.688 58.200 -0.081 0.000 1.043 197 S CB 0.465 63.614 63.200 -0.085 0.000 0.887 197 S HN 0.498 nan 8.310 nan 0.000 0.516 198 L N 3.758 124.927 121.223 -0.089 0.000 2.478 198 L HA 0.083 4.423 4.340 0.000 0.000 0.223 198 L C 1.933 178.751 176.870 -0.087 0.000 1.140 198 L CA 0.478 55.269 54.840 -0.082 0.000 0.842 198 L CB -0.392 41.622 42.059 -0.075 0.000 0.953 198 L HN 0.736 nan 8.230 nan 0.000 0.452 199 N N 0.375 119.019 118.700 -0.094 0.000 2.485 199 N HA -0.066 4.674 4.740 0.000 0.000 0.199 199 N C 0.123 175.580 175.510 -0.090 0.000 1.236 199 N CA 0.204 53.200 53.050 -0.090 0.000 0.852 199 N CB 0.167 38.598 38.487 -0.092 0.000 1.018 199 N HN 0.278 nan 8.380 nan 0.000 0.457 200 E N -0.490 119.653 120.200 -0.096 0.000 2.250 200 E HA 0.168 4.518 4.350 0.000 0.000 0.269 200 E C -0.356 176.169 176.600 -0.124 0.000 1.018 200 E CA -0.938 55.395 56.400 -0.111 0.000 0.873 200 E CB 2.051 31.682 29.700 -0.116 0.000 1.134 200 E HN -0.100 nan 8.360 nan 0.000 0.403 201 V N 1.371 121.199 119.914 -0.144 0.000 2.673 201 V HA 0.286 4.406 4.120 0.000 0.000 0.303 201 V C 0.673 176.667 176.094 -0.166 0.000 1.046 201 V CA 0.569 62.782 62.300 -0.147 0.000 1.126 201 V CB 0.779 32.498 31.823 -0.174 0.000 0.934 201 V HN 0.795 nan 8.190 nan 0.000 0.487 202 G N 2.502 111.223 108.800 -0.131 0.000 2.694 202 G HA2 0.472 4.432 3.960 0.000 0.000 0.290 202 G HA3 0.472 4.432 3.960 0.000 0.000 0.290 202 G C -0.413 174.468 174.900 -0.031 0.000 1.386 202 G CA -0.445 44.554 45.100 -0.168 0.000 0.872 202 G HN 0.398 nan 8.290 nan 0.000 0.475 203 Y N 0.503 120.768 120.300 -0.057 0.000 2.403 203 Y HA -0.058 4.492 4.550 0.000 0.000 0.291 203 Y C 2.506 178.384 175.900 -0.036 0.000 1.143 203 Y CA 1.150 59.224 58.100 -0.044 0.000 1.257 203 Y CB -0.036 38.405 38.460 -0.032 0.000 0.984 203 Y HN 0.580 nan 8.280 nan 0.000 0.550 204 D N -1.449 119.013 120.400 0.103 0.000 2.349 204 D HA -0.083 4.557 4.640 0.000 0.000 0.224 204 D C 0.411 176.716 176.300 0.008 0.000 1.029 204 D CA 0.550 54.578 54.000 0.046 0.000 0.879 204 D CB -0.237 40.575 40.800 0.020 0.000 0.906 204 D HN 0.230 nan 8.370 nan 0.000 0.528 205 D N 0.079 120.480 120.400 0.001 0.000 2.395 205 D HA 0.115 4.755 4.640 0.000 0.000 0.213 205 D C -0.127 176.170 176.300 -0.004 0.000 1.110 205 D CA -0.063 53.913 54.000 -0.039 0.000 0.835 205 D CB 1.634 42.392 40.800 -0.071 0.000 0.965 205 D HN 0.073 nan 8.370 nan 0.000 0.505 206 V N 0.477 120.410 119.914 0.032 0.000 2.495 206 V HA 0.766 4.886 4.120 0.000 0.000 0.298 206 V C 0.565 176.681 176.094 0.037 0.000 1.031 206 V CA -0.783 61.542 62.300 0.042 0.000 0.871 206 V CB 2.006 33.855 31.823 0.044 0.000 0.988 206 V HN 0.074 nan 8.190 nan 0.000 0.432 207 G N 1.200 110.027 108.800 0.044 0.000 2.574 207 G HA2 0.652 4.612 3.960 0.000 0.000 0.299 207 G HA3 0.652 4.612 3.960 0.000 0.000 0.299 207 G C 0.495 175.414 174.900 0.031 0.000 1.298 207 G CA 0.231 45.353 45.100 0.036 0.000 0.952 207 G HN 1.408 nan 8.290 nan 0.000 0.477 208 G N -0.873 107.939 108.800 0.020 0.000 4.165 208 G HA2 -0.280 3.680 3.960 0.000 0.000 0.211 208 G HA3 -0.280 3.680 3.960 0.000 0.000 0.211 208 G C 0.918 175.823 174.900 0.008 0.000 1.469 208 G CA 0.420 45.531 45.100 0.017 0.000 0.964 208 G HN 1.424 nan 8.290 nan 0.000 0.613 209 C N 1.627 120.930 119.300 0.005 0.000 2.676 209 C HA 0.719 5.179 4.460 0.000 0.000 0.416 209 C C 1.583 176.558 174.990 -0.024 0.000 1.299 209 C CA 1.083 60.096 59.018 -0.008 0.000 2.048 209 C CB 0.715 28.447 27.740 -0.013 0.000 2.713 209 C HN 0.803 nan 8.230 nan 0.000 0.624 210 R N 0.419 120.900 120.500 -0.032 0.000 4.548 210 R HA 0.052 4.392 4.340 0.000 0.000 0.077 210 R C 1.789 178.060 176.300 -0.047 0.000 0.695 210 R CA -0.476 55.599 56.100 -0.043 0.000 1.570 210 R CB -0.452 29.833 30.300 -0.026 0.000 1.517 210 R HN 0.345 nan 8.270 nan 0.000 0.411 211 K N 2.017 122.399 120.400 -0.029 0.000 2.097 211 K HA -0.097 4.223 4.320 0.000 0.000 0.206 211 K C 1.897 178.480 176.600 -0.029 0.000 1.049 211 K CA 1.398 57.671 56.287 -0.024 0.000 0.933 211 K CB -0.094 32.400 32.500 -0.010 0.000 0.717 211 K HN 0.328 nan 8.250 nan 0.000 0.442 212 Q N 0.769 120.553 119.800 -0.027 0.000 2.119 212 Q HA -0.041 4.299 4.340 0.000 0.000 0.201 212 Q C 2.347 178.315 176.000 -0.054 0.000 0.972 212 Q CA 0.969 56.756 55.803 -0.026 0.000 0.847 212 Q CB -0.606 28.124 28.738 -0.014 0.000 0.903 212 Q HN 0.303 nan 8.270 nan 0.000 0.433 213 L N 0.485 121.656 121.223 -0.087 0.000 2.109 213 L HA -0.054 4.286 4.340 0.000 0.000 0.207 213 L C 2.487 179.260 176.870 -0.161 0.000 1.086 213 L CA 0.801 55.545 54.840 -0.161 0.000 0.760 213 L CB -0.478 41.441 42.059 -0.233 0.000 0.910 213 L HN 0.210 nan 8.230 nan 0.000 0.437 214 A N -0.410 122.343 122.820 -0.111 0.000 1.883 214 A HA -0.274 4.046 4.320 0.000 0.000 0.217 214 A C 2.137 179.689 177.584 -0.054 0.000 1.186 214 A CA 1.651 53.640 52.037 -0.081 0.000 0.624 214 A CB -0.435 18.535 19.000 -0.051 0.000 0.822 214 A HN 0.478 nan 8.150 nan 0.000 0.444 215 Q N -0.572 119.204 119.800 -0.040 0.000 1.993 215 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 215 Q C 2.108 178.098 176.000 -0.018 0.000 0.984 215 Q CA 1.640 57.432 55.803 -0.020 0.000 0.837 215 Q CB -0.351 28.380 28.738 -0.011 0.000 0.902 215 Q HN 0.725 nan 8.270 nan 0.000 0.423 216 I N 0.906 121.459 120.570 -0.029 0.000 2.208 216 I HA -0.319 3.851 4.170 0.000 0.000 0.245 216 I C 2.273 178.382 176.117 -0.012 0.000 1.097 216 I CA 1.283 62.573 61.300 -0.017 0.000 1.363 216 I CB -0.264 37.723 38.000 -0.023 0.000 1.051 216 I HN 0.163 nan 8.210 nan 0.000 0.413 217 K N 0.832 121.203 120.400 -0.048 0.000 2.032 217 K HA -0.230 4.090 4.320 0.000 0.000 0.209 217 K C 2.011 178.622 176.600 0.018 0.000 1.048 217 K CA 2.017 58.287 56.287 -0.027 0.000 0.927 217 K CB -0.229 32.216 32.500 -0.092 0.000 0.712 217 K HN 0.537 nan 8.250 nan 0.000 0.441 218 E N 0.626 120.833 120.200 0.011 0.000 2.208 218 E HA -0.143 4.207 4.350 0.000 0.000 0.193 218 E C 1.943 178.570 176.600 0.044 0.000 0.988 218 E CA 0.750 57.170 56.400 0.034 0.000 0.828 218 E CB -0.179 29.537 29.700 0.026 0.000 0.763 218 E HN 0.266 nan 8.360 nan 0.000 0.478 219 M N 1.473 121.090 119.600 0.029 0.000 2.132 219 M HA -0.109 4.371 4.480 0.000 0.000 0.263 219 M C 2.537 178.854 176.300 0.029 0.000 1.065 219 M CA 1.753 57.069 55.300 0.026 0.000 1.122 219 M CB -0.209 32.398 32.600 0.012 0.000 1.365 219 M HN 0.245 nan 8.290 nan 0.000 0.411 220 V N -2.547 117.389 119.914 0.037 0.000 3.506 220 V HA -0.005 4.115 4.120 0.000 0.000 0.263 220 V C 1.781 177.916 176.094 0.068 0.000 1.203 220 V CA 1.086 63.411 62.300 0.042 0.000 1.133 220 V CB -0.460 31.393 31.823 0.050 0.000 0.802 220 V HN 0.289 nan 8.190 nan 0.000 0.459 221 E N 1.834 122.084 120.200 0.082 0.000 2.082 221 E HA -0.260 4.090 4.350 0.000 0.000 0.215 221 E C 1.856 178.537 176.600 0.136 0.000 1.048 221 E CA 2.951 59.411 56.400 0.100 0.000 0.869 221 E CB -0.739 29.030 29.700 0.114 0.000 0.773 221 E HN 0.652 nan 8.360 nan 0.000 0.466 222 L N 0.433 121.792 121.223 0.227 0.000 1.988 222 L HA -0.072 4.268 4.340 0.000 0.000 0.207 222 L C -0.437 176.708 176.870 0.459 0.000 1.071 222 L CA 1.690 56.754 54.840 0.373 0.000 0.744 222 L CB -1.738 40.566 42.059 0.409 0.000 0.893 222 L HN 0.302 nan 8.230 nan 0.000 0.433 223 P HA -0.186 nan 4.420 nan 0.000 0.216 223 P C 1.650 179.031 177.300 0.136 0.000 1.150 223 P CA 1.434 64.626 63.100 0.153 0.000 0.837 223 P CB 0.122 31.654 31.700 -0.281 0.000 0.786 224 L N -1.186 120.089 121.223 0.087 0.000 2.477 224 L HA 0.129 4.469 4.340 0.000 0.000 0.220 224 L C 2.496 179.370 176.870 0.005 0.000 1.106 224 L CA 1.222 56.096 54.840 0.056 0.000 0.851 224 L CB -0.679 41.410 42.059 0.049 0.000 0.994 224 L HN -0.128 nan 8.230 nan 0.000 0.462 225 R N -1.875 118.583 120.500 -0.070 0.000 2.316 225 R HA 0.241 4.581 4.340 0.000 0.000 0.201 225 R C -0.061 175.929 176.300 -0.516 0.000 0.888 225 R CA 0.154 56.066 56.100 -0.315 0.000 1.041 225 R CB 0.598 30.620 30.300 -0.464 0.000 1.115 225 R HN 0.330 nan 8.270 nan 0.000 0.559 226 H N -0.170 118.982 119.070 0.136 0.000 2.616 226 H HA 0.252 4.808 4.556 0.000 0.000 0.229 226 H C -2.091 173.341 175.328 0.174 0.000 1.418 226 H CA -1.998 54.117 56.048 0.112 0.000 1.248 226 H CB 1.235 31.032 29.762 0.059 0.000 1.822 226 H HN -0.096 nan 8.280 nan 0.000 0.522 227 P HA -0.207 nan 4.420 nan 0.000 0.216 227 P C 1.759 179.219 177.300 0.267 0.000 1.157 227 P CA 2.134 65.416 63.100 0.304 0.000 0.880 227 P CB 0.306 32.112 31.700 0.177 0.000 0.791 228 A N -0.713 122.203 122.820 0.159 0.000 1.948 228 A HA -0.234 4.086 4.320 0.000 0.000 0.220 228 A C 2.124 179.736 177.584 0.047 0.000 1.177 228 A CA 1.758 53.853 52.037 0.097 0.000 0.636 228 A CB -1.740 17.299 19.000 0.065 0.000 0.815 228 A HN 0.189 nan 8.150 nan 0.000 0.449 229 L N -1.184 120.031 121.223 -0.012 0.000 2.021 229 L HA -0.190 4.150 4.340 0.000 0.000 0.215 229 L C 2.032 178.716 176.870 -0.310 0.000 1.074 229 L CA 2.224 56.927 54.840 -0.228 0.000 0.760 229 L CB -0.792 41.016 42.059 -0.419 0.000 0.889 229 L HN 0.370 nan 8.230 nan 0.000 0.433 230 F N -0.392 119.603 119.950 0.075 0.000 2.661 230 F HA -0.018 4.509 4.527 0.000 0.000 0.298 230 F C 2.391 178.233 175.800 0.069 0.000 1.137 230 F CA 1.072 59.120 58.000 0.080 0.000 1.454 230 F CB -0.565 38.512 39.000 0.128 0.000 1.103 230 F HN 0.161 nan 8.300 nan 0.000 0.577 231 K N 0.734 121.234 120.400 0.166 0.000 2.116 231 K HA 0.020 4.340 4.320 0.000 0.000 0.203 231 K C 2.008 178.643 176.600 0.060 0.000 1.052 231 K CA 1.102 57.453 56.287 0.107 0.000 0.952 231 K CB -0.085 32.462 32.500 0.080 0.000 0.729 231 K HN 0.200 nan 8.250 nan 0.000 0.446 232 A N 0.631 123.465 122.820 0.024 0.000 2.147 232 A HA 0.176 4.496 4.320 0.000 0.000 0.211 232 A C 0.803 178.379 177.584 -0.014 0.000 1.160 232 A CA -0.044 51.992 52.037 -0.003 0.000 0.781 232 A CB 0.076 19.061 19.000 -0.025 0.000 0.842 232 A HN 0.250 nan 8.150 nan 0.000 0.475 233 I N -2.309 118.248 120.570 -0.022 0.000 3.076 233 I HA 0.585 4.755 4.170 0.000 0.000 0.313 233 I C 1.319 177.465 176.117 0.048 0.000 1.053 233 I CA -0.080 61.205 61.300 -0.025 0.000 1.048 233 I CB 1.933 39.855 38.000 -0.130 0.000 1.264 233 I HN -0.010 nan 8.210 nan 0.000 0.498 234 G N 2.162 110.992 108.800 0.050 0.000 3.228 234 G HA2 0.291 4.251 3.960 0.000 0.000 0.245 234 G HA3 0.291 4.251 3.960 0.000 0.000 0.245 234 G C -0.201 174.756 174.900 0.095 0.000 1.051 234 G CA 0.086 45.230 45.100 0.073 0.000 0.809 234 G HN 0.316 nan 8.290 nan 0.000 0.531 235 V N 1.303 121.288 119.914 0.118 0.000 2.953 235 V HA 0.326 4.446 4.120 0.000 0.000 0.304 235 V C 0.205 176.421 176.094 0.203 0.000 1.073 235 V CA -0.668 61.714 62.300 0.136 0.000 1.064 235 V CB 1.542 33.438 31.823 0.121 0.000 1.047 235 V HN 0.451 nan 8.190 nan 0.000 0.478 236 K N 4.156 124.627 120.400 0.118 0.000 2.213 236 K HA 0.616 4.936 4.320 0.000 0.000 0.270 236 K C -2.686 173.903 176.600 -0.019 0.000 1.002 236 K CA -1.426 54.883 56.287 0.036 0.000 0.868 236 K CB 1.322 33.827 32.500 0.008 0.000 1.093 236 K HN 0.456 nan 8.250 nan 0.000 0.454 237 P HA 0.267 nan 4.420 nan 0.000 0.279 237 P C -2.535 174.624 177.300 -0.236 0.000 1.252 237 P CA -1.626 61.316 63.100 -0.263 0.000 0.811 237 P CB 0.225 31.491 31.700 -0.722 0.000 1.035 238 P HA 0.120 nan 4.420 nan 0.000 0.266 238 P C 0.285 177.479 177.300 -0.176 0.000 1.195 238 P CA 0.150 63.185 63.100 -0.110 0.000 0.768 238 P CB 1.173 32.839 31.700 -0.056 0.000 0.838 239 R N 1.350 121.759 120.500 -0.150 0.000 2.167 239 R HA 0.267 4.607 4.340 0.000 0.000 0.201 239 R C 1.119 177.290 176.300 -0.213 0.000 1.024 239 R CA 0.462 56.455 56.100 -0.178 0.000 1.053 239 R CB 0.333 30.551 30.300 -0.137 0.000 0.987 239 R HN 0.576 nan 8.270 nan 0.000 0.493 240 G N 0.936 109.594 108.800 -0.237 0.000 2.687 240 G HA2 0.592 4.552 3.960 0.000 0.000 0.301 240 G HA3 0.592 4.552 3.960 0.000 0.000 0.301 240 G C -1.030 173.832 174.900 -0.063 0.000 1.416 240 G CA -0.523 44.337 45.100 -0.399 0.000 1.005 240 G HN -0.046 nan 8.290 nan 0.000 0.509 241 I N 2.276 122.904 120.570 0.097 0.000 2.382 241 I HA 0.287 4.457 4.170 0.000 0.000 0.286 241 I C -0.858 175.431 176.117 0.287 0.000 1.002 241 I CA -0.810 60.587 61.300 0.162 0.000 1.135 241 I CB 1.965 40.024 38.000 0.098 0.000 1.288 241 I HN 0.177 nan 8.210 nan 0.000 0.448 242 L N 7.761 129.065 121.223 0.135 0.000 2.295 242 L HA 0.490 4.830 4.340 0.000 0.000 0.285 242 L C -0.916 175.780 176.870 -0.291 0.000 1.035 242 L CA -0.470 54.297 54.840 -0.121 0.000 0.806 242 L CB 1.273 43.144 42.059 -0.312 0.000 1.214 242 L HN 0.357 nan 8.230 nan 0.000 0.426 243 L N 6.287 127.398 121.223 -0.187 0.000 2.280 243 L HA 0.426 4.766 4.340 0.000 0.000 0.287 243 L C -0.891 175.958 176.870 -0.035 0.000 1.023 243 L CA -0.238 54.543 54.840 -0.098 0.000 0.819 243 L CB 0.817 42.938 42.059 0.103 0.000 1.212 243 L HN 0.353 nan 8.230 nan 0.000 0.420 244 Y N 1.839 122.160 120.300 0.036 0.000 2.361 244 Y HA 0.814 5.364 4.550 0.000 0.000 0.332 244 Y C 0.892 176.806 175.900 0.024 0.000 1.101 244 Y CA -1.260 56.851 58.100 0.017 0.000 1.137 244 Y CB 1.915 40.378 38.460 0.006 0.000 1.207 244 Y HN 0.634 nan 8.280 nan 0.000 0.463 245 G N 3.106 112.025 108.800 0.198 0.000 2.358 245 G HA2 0.250 4.210 3.960 0.000 0.000 0.303 245 G HA3 0.250 4.210 3.960 0.000 0.000 0.303 245 G C -3.397 171.547 174.900 0.073 0.000 1.537 245 G CA -1.246 43.919 45.100 0.109 0.000 0.928 245 G HN 0.305 nan 8.290 nan 0.000 0.656 246 P HA 0.357 nan 4.420 nan 0.000 0.274 246 P C -2.635 174.687 177.300 0.037 0.000 1.260 246 P CA -1.051 62.067 63.100 0.029 0.000 0.793 246 P CB -0.128 31.580 31.700 0.013 0.000 1.048 247 P HA 0.072 nan 4.420 nan 0.000 0.269 247 P C 0.740 178.058 177.300 0.029 0.000 1.215 247 P CA 1.128 64.248 63.100 0.032 0.000 0.780 247 P CB -0.267 31.444 31.700 0.020 0.000 0.898 248 G N 1.363 110.185 108.800 0.038 0.000 2.249 248 G HA2 -0.270 3.690 3.960 0.000 0.000 0.273 248 G HA3 -0.270 3.690 3.960 0.000 0.000 0.273 248 G C 0.882 175.804 174.900 0.036 0.000 1.036 248 G CA 0.564 45.683 45.100 0.032 0.000 0.824 248 G HN 0.540 nan 8.290 nan 0.000 0.504 249 T N -0.769 113.813 114.554 0.046 0.000 3.065 249 T HA 0.418 4.768 4.350 0.000 0.000 0.252 249 T C 2.015 176.743 174.700 0.046 0.000 1.099 249 T CA 1.830 63.958 62.100 0.047 0.000 1.063 249 T CB -0.210 68.690 68.868 0.055 0.000 0.948 249 T HN 2.035 nan 8.240 nan 0.000 0.506 250 G N 1.702 110.529 108.800 0.045 0.000 2.134 250 G HA2 -0.212 3.748 3.960 0.000 0.000 0.209 250 G HA3 -0.212 3.748 3.960 0.000 0.000 0.209 250 G C 0.890 175.793 174.900 0.005 0.000 0.993 250 G CA 0.403 45.520 45.100 0.029 0.000 0.669 250 G HN 0.450 nan 8.290 nan 0.000 0.519 251 K N -0.305 120.116 120.400 0.035 0.000 2.032 251 K HA -0.104 4.216 4.320 0.000 0.000 0.209 251 K C 2.508 179.015 176.600 -0.154 0.000 1.048 251 K CA 1.904 58.212 56.287 0.034 0.000 0.927 251 K CB -0.378 32.230 32.500 0.179 0.000 0.712 251 K HN 0.355 nan 8.250 nan 0.000 0.441 252 T N 2.455 116.931 114.554 -0.129 0.000 2.746 252 T HA -0.108 4.242 4.350 0.000 0.000 0.267 252 T C 1.821 176.330 174.700 -0.318 0.000 1.039 252 T CA 0.853 62.737 62.100 -0.361 0.000 1.142 252 T CB -0.209 68.660 68.868 0.002 0.000 0.866 252 T HN 0.189 nan 8.240 nan 0.000 0.444 253 L N 0.472 121.601 121.223 -0.155 0.000 2.012 253 L HA -0.090 4.250 4.340 0.000 0.000 0.210 253 L C 2.317 179.097 176.870 -0.149 0.000 1.073 253 L CA 1.532 56.295 54.840 -0.128 0.000 0.748 253 L CB -0.341 41.692 42.059 -0.043 0.000 0.891 253 L HN 0.288 nan 8.230 nan 0.000 0.431 254 I N -0.082 120.413 120.570 -0.125 0.000 2.127 254 I HA -0.314 3.856 4.170 0.000 0.000 0.241 254 I C 2.775 178.818 176.117 -0.123 0.000 1.075 254 I CA 1.319 62.570 61.300 -0.083 0.000 1.334 254 I CB -0.503 37.462 38.000 -0.059 0.000 1.040 254 I HN 0.333 nan 8.210 nan 0.000 0.405 255 A N 0.368 123.031 122.820 -0.262 0.000 1.933 255 A HA -0.234 4.086 4.320 0.000 0.000 0.218 255 A C 2.443 179.855 177.584 -0.285 0.000 1.175 255 A CA 1.572 53.463 52.037 -0.244 0.000 0.628 255 A CB -0.619 18.046 19.000 -0.558 0.000 0.814 255 A HN 0.327 nan 8.150 nan 0.000 0.444 256 R N -0.602 119.587 120.500 -0.517 0.000 2.115 256 R HA -0.060 4.280 4.340 0.000 0.000 0.230 256 R C 2.308 178.291 176.300 -0.529 0.000 1.111 256 R CA 1.191 56.756 56.100 -0.893 0.000 0.976 256 R CB -0.304 29.555 30.300 -0.734 0.000 0.870 256 R HN 0.485 nan 8.270 nan 0.000 0.445 257 A N 0.213 122.863 122.820 -0.283 0.000 1.855 257 A HA -0.093 4.227 4.320 0.000 0.000 0.215 257 A C 2.217 179.706 177.584 -0.159 0.000 1.191 257 A CA 1.392 53.315 52.037 -0.191 0.000 0.613 257 A CB -0.683 18.311 19.000 -0.009 0.000 0.829 257 A HN 0.179 nan 8.150 nan 0.000 0.442 258 V N 0.187 120.150 119.914 0.082 0.000 2.324 258 V HA -0.332 3.788 4.120 0.000 0.000 0.250 258 V C 3.022 179.121 176.094 0.009 0.000 1.060 258 V CA 2.187 64.600 62.300 0.189 0.000 1.042 258 V CB -1.404 30.521 31.823 0.170 0.000 0.650 258 V HN 0.645 nan 8.190 nan 0.000 0.450 259 A N 0.460 123.241 122.820 -0.065 0.000 1.835 259 A HA -0.236 4.084 4.320 0.000 0.000 0.215 259 A C 2.096 179.617 177.584 -0.105 0.000 1.199 259 A CA 2.084 54.092 52.037 -0.049 0.000 0.615 259 A CB -0.809 18.155 19.000 -0.059 0.000 0.838 259 A HN 0.584 nan 8.150 nan 0.000 0.444 260 N N -0.133 118.444 118.700 -0.205 0.000 2.018 260 N HA -0.211 4.529 4.740 0.000 0.000 0.196 260 N C 1.633 177.032 175.510 -0.186 0.000 1.043 260 N CA 1.840 54.777 53.050 -0.188 0.000 0.856 260 N CB -0.711 37.636 38.487 -0.233 0.000 1.042 260 N HN 0.591 nan 8.380 nan 0.000 0.423 261 E N -0.185 119.836 120.200 -0.298 0.000 2.273 261 E HA -0.117 4.233 4.350 0.000 0.000 0.198 261 E C 1.008 177.496 176.600 -0.187 0.000 1.002 261 E CA 1.355 57.523 56.400 -0.387 0.000 0.828 261 E CB -0.165 28.956 29.700 -0.965 0.000 0.747 261 E HN 0.579 nan 8.360 nan 0.000 0.491 262 T N -4.653 109.842 114.554 -0.098 0.000 3.174 262 T HA 0.376 4.726 4.350 0.000 0.000 0.269 262 T C 1.324 176.014 174.700 -0.016 0.000 1.017 262 T CA 0.184 62.267 62.100 -0.028 0.000 0.899 262 T CB 0.425 69.304 68.868 0.019 0.000 1.077 262 T HN 0.198 nan 8.240 nan 0.000 0.552 263 G N 1.442 110.227 108.800 -0.026 0.000 2.200 263 G HA2 -0.173 3.787 3.960 0.000 0.000 0.268 263 G HA3 -0.173 3.787 3.960 0.000 0.000 0.268 263 G C 0.489 175.419 174.900 0.050 0.000 0.986 263 G CA 0.129 45.232 45.100 0.005 0.000 0.677 263 G HN 1.295 nan 8.290 nan 0.000 0.532 264 A N -0.452 122.402 122.820 0.056 0.000 2.425 264 A HA 0.594 4.914 4.320 0.000 0.000 0.242 264 A C 0.139 177.832 177.584 0.181 0.000 1.077 264 A CA 0.011 52.117 52.037 0.115 0.000 0.781 264 A CB 0.357 19.419 19.000 0.103 0.000 1.020 264 A HN 1.341 nan 8.150 nan 0.000 0.494 265 F N 1.448 121.454 119.950 0.094 0.000 2.412 265 F HA 0.561 5.088 4.527 -0.000 0.000 0.348 265 F C -0.708 175.224 175.800 0.220 0.000 1.102 265 F CA -0.959 57.117 58.000 0.127 0.000 1.196 265 F CB 0.484 39.536 39.000 0.086 0.000 1.144 265 F HN 0.431 nan 8.300 nan 0.000 0.541 266 F N 7.251 126.682 119.950 -0.866 0.000 2.508 266 F HA 0.584 5.111 4.527 0.000 0.000 0.325 266 F C -1.931 173.403 175.800 -0.776 0.000 1.090 266 F CA -1.310 56.323 58.000 -0.611 0.000 0.945 266 F CB 1.348 40.160 39.000 -0.313 0.000 1.156 266 F HN 0.374 nan 8.300 nan 0.000 0.463 267 F N 7.580 126.848 119.950 -1.137 0.000 2.617 267 F HA 0.494 5.021 4.527 -0.000 0.000 0.325 267 F C -2.083 173.254 175.800 -0.772 0.000 1.179 267 F CA -0.959 56.599 58.000 -0.737 0.000 0.965 267 F CB 1.144 39.910 39.000 -0.390 0.000 1.232 267 F HN 0.398 nan 8.300 nan 0.000 0.461 268 L N 7.299 128.018 121.223 -0.841 0.000 2.292 268 L HA 0.669 5.009 4.340 0.000 0.000 0.284 268 L C -1.235 175.494 176.870 -0.235 0.000 1.065 268 L CA -0.127 54.469 54.840 -0.406 0.000 0.806 268 L CB 0.795 42.773 42.059 -0.134 0.000 1.175 268 L HN 0.543 nan 8.230 nan 0.000 0.431 269 I N 5.268 125.828 120.570 -0.016 0.000 2.509 269 I HA 0.378 4.548 4.170 0.000 0.000 0.293 269 I C -0.563 175.557 176.117 0.005 0.000 1.020 269 I CA -0.576 60.765 61.300 0.069 0.000 1.088 269 I CB 1.779 39.875 38.000 0.161 0.000 1.267 269 I HN 0.661 nan 8.210 nan 0.000 0.430 270 N N 3.998 122.708 118.700 0.017 0.000 2.399 270 N HA 0.236 4.976 4.740 0.000 0.000 0.280 270 N C 0.725 176.239 175.510 0.007 0.000 1.008 270 N CA -0.202 52.851 53.050 0.005 0.000 0.894 270 N CB 2.305 40.803 38.487 0.018 0.000 1.273 270 N HN 0.810 nan 8.380 nan 0.000 0.486 271 G N 4.642 113.435 108.800 -0.011 0.000 2.672 271 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 271 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 271 G C -0.979 173.924 174.900 0.005 0.000 1.238 271 G CA 0.936 46.033 45.100 -0.005 0.000 0.791 271 G HN 0.552 nan 8.290 nan 0.000 0.606 272 P HA -0.177 nan 4.420 nan 0.000 0.218 272 P C 1.632 178.939 177.300 0.012 0.000 1.154 272 P CA 1.921 65.026 63.100 0.008 0.000 0.872 272 P CB -0.061 31.645 31.700 0.009 0.000 0.790 273 E N -0.493 119.716 120.200 0.016 0.000 2.051 273 E HA -0.180 4.170 4.350 0.000 0.000 0.192 273 E C 1.907 178.523 176.600 0.026 0.000 0.991 273 E CA 1.462 57.874 56.400 0.020 0.000 0.799 273 E CB -1.037 28.676 29.700 0.022 0.000 0.748 273 E HN 0.038 nan 8.360 nan 0.000 0.449 274 I N 0.521 121.109 120.570 0.030 0.000 2.202 274 I HA -0.147 4.023 4.170 0.000 0.000 0.242 274 I C 1.820 177.950 176.117 0.022 0.000 1.091 274 I CA 1.018 62.338 61.300 0.034 0.000 1.368 274 I CB -0.838 37.185 38.000 0.039 0.000 1.058 274 I HN 0.319 nan 8.210 nan 0.000 0.410 275 M N 0.645 120.254 119.600 0.016 0.000 2.776 275 M HA -0.032 4.448 4.480 0.000 0.000 0.233 275 M C 1.715 178.022 176.300 0.011 0.000 1.078 275 M CA 0.651 55.958 55.300 0.011 0.000 1.058 275 M CB -1.551 31.053 32.600 0.008 0.000 1.611 275 M HN 0.321 nan 8.290 nan 0.000 0.541 276 S N -2.133 113.575 115.700 0.014 0.000 2.578 276 S HA 0.191 4.661 4.470 0.000 0.000 0.228 276 S C 0.716 175.324 174.600 0.014 0.000 1.022 276 S CA -0.544 57.663 58.200 0.012 0.000 0.967 276 S CB 0.910 64.118 63.200 0.013 0.000 0.914 276 S HN 0.131 nan 8.310 nan 0.000 0.515 277 K N 1.866 122.276 120.400 0.016 0.000 2.138 277 K HA 0.401 4.721 4.320 0.000 0.000 0.251 277 K C 0.322 176.930 176.600 0.012 0.000 1.015 277 K CA -0.433 55.863 56.287 0.016 0.000 0.917 277 K CB 0.462 32.974 32.500 0.020 0.000 1.021 277 K HN 0.297 nan 8.250 nan 0.000 0.485 278 L N 1.138 122.368 121.223 0.011 0.000 2.473 278 L HA 0.095 4.435 4.340 0.000 0.000 0.268 278 L C 0.791 177.666 176.870 0.007 0.000 1.215 278 L CA -0.550 54.295 54.840 0.009 0.000 0.823 278 L CB 0.086 42.150 42.059 0.008 0.000 1.099 278 L HN 0.621 nan 8.230 nan 0.000 0.483 279 A N 1.363 124.186 122.820 0.006 0.000 2.546 279 A HA 0.378 4.698 4.320 0.000 0.000 0.243 279 A C 1.222 178.807 177.584 0.002 0.000 1.063 279 A CA 0.672 52.711 52.037 0.004 0.000 0.757 279 A CB -0.447 18.556 19.000 0.004 0.000 0.991 279 A HN 1.106 nan 8.150 nan 0.000 0.503 280 G N 1.474 110.274 108.800 -0.001 0.000 2.579 280 G HA2 -0.358 3.602 3.960 0.000 0.000 0.222 280 G HA3 -0.358 3.602 3.960 0.000 0.000 0.222 280 G C 1.167 176.066 174.900 -0.001 0.000 1.201 280 G CA 0.903 46.001 45.100 -0.004 0.000 0.710 280 G HN 0.937 nan 8.290 nan 0.000 0.516 281 E N 0.765 120.967 120.200 0.004 0.000 2.204 281 E HA -0.041 4.309 4.350 0.000 0.000 0.195 281 E C 2.434 179.041 176.600 0.012 0.000 0.990 281 E CA 1.642 58.048 56.400 0.009 0.000 0.821 281 E CB -0.207 29.500 29.700 0.012 0.000 0.750 281 E HN 0.518 nan 8.360 nan 0.000 0.477 282 S N 0.140 115.845 115.700 0.009 0.000 2.357 282 S HA -0.148 4.322 4.470 0.000 0.000 0.221 282 S C 1.642 176.246 174.600 0.006 0.000 1.031 282 S CA 1.397 59.604 58.200 0.012 0.000 0.982 282 S CB -0.060 63.145 63.200 0.008 0.000 0.853 282 S HN 0.263 nan 8.310 nan 0.000 0.458 283 E N 0.865 121.061 120.200 -0.007 0.000 2.106 283 E HA -0.029 4.321 4.350 0.000 0.000 0.192 283 E C 2.231 178.817 176.600 -0.023 0.000 0.984 283 E CA 1.035 57.420 56.400 -0.024 0.000 0.806 283 E CB -0.440 29.240 29.700 -0.033 0.000 0.750 283 E HN 0.424 nan 8.360 nan 0.000 0.458 284 S N 0.158 115.851 115.700 -0.011 0.000 2.402 284 S HA -0.233 4.237 4.470 0.000 0.000 0.233 284 S C 1.699 176.302 174.600 0.006 0.000 1.030 284 S CA 1.750 59.946 58.200 -0.006 0.000 1.003 284 S CB -0.334 62.867 63.200 0.002 0.000 0.813 284 S HN 0.303 nan 8.310 nan 0.000 0.477 285 N N 0.177 118.889 118.700 0.021 0.000 2.171 285 N HA 0.064 4.804 4.740 0.000 0.000 0.184 285 N C 1.801 177.344 175.510 0.055 0.000 1.021 285 N CA 1.152 54.232 53.050 0.050 0.000 0.854 285 N CB -0.160 38.367 38.487 0.067 0.000 0.994 285 N HN 0.314 nan 8.380 nan 0.000 0.426 286 L N 1.546 122.787 121.223 0.029 0.000 2.013 286 L HA -0.238 4.102 4.340 0.000 0.000 0.212 286 L C 2.689 179.554 176.870 -0.009 0.000 1.073 286 L CA 1.418 56.271 54.840 0.021 0.000 0.753 286 L CB -0.513 41.509 42.059 -0.062 0.000 0.890 286 L HN 0.334 nan 8.230 nan 0.000 0.432 287 R N 1.375 121.838 120.500 -0.061 0.000 2.073 287 R HA -0.223 4.117 4.340 0.000 0.000 0.234 287 R C 2.179 178.474 176.300 -0.009 0.000 1.134 287 R CA 1.801 57.864 56.100 -0.062 0.000 0.952 287 R CB -0.733 29.528 30.300 -0.065 0.000 0.850 287 R HN 0.397 nan 8.270 nan 0.000 0.433 288 K N 0.933 121.327 120.400 -0.010 0.000 2.152 288 K HA -0.052 4.268 4.320 0.000 0.000 0.206 288 K C 2.125 178.670 176.600 -0.091 0.000 1.048 288 K CA 1.522 57.798 56.287 -0.018 0.000 0.933 288 K CB -0.212 32.297 32.500 0.015 0.000 0.721 288 K HN 0.264 nan 8.250 nan 0.000 0.447 289 A N 1.081 123.829 122.820 -0.120 0.000 1.840 289 A HA -0.015 4.305 4.320 0.000 0.000 0.214 289 A C 1.926 179.245 177.584 -0.441 0.000 1.198 289 A CA 0.999 52.729 52.037 -0.512 0.000 0.608 289 A CB -0.809 18.062 19.000 -0.215 0.000 0.839 289 A HN 0.314 nan 8.150 nan 0.000 0.443 290 F N 0.213 119.978 119.950 -0.307 0.000 2.095 290 F HA -0.167 4.360 4.527 0.000 0.000 0.298 290 F C 2.378 178.070 175.800 -0.180 0.000 1.104 290 F CA 1.823 59.701 58.000 -0.204 0.000 1.232 290 F CB -0.598 38.333 39.000 -0.116 0.000 0.987 290 F HN 0.392 nan 8.300 nan 0.000 0.475 291 E N -0.219 120.009 120.200 0.047 0.000 2.130 291 E HA -0.275 4.075 4.350 0.000 0.000 0.196 291 E C 2.176 178.734 176.600 -0.069 0.000 0.998 291 E CA 1.502 57.895 56.400 -0.013 0.000 0.806 291 E CB -0.131 29.559 29.700 -0.017 0.000 0.738 291 E HN 0.504 nan 8.360 nan 0.000 0.459 292 E N -0.752 119.368 120.200 -0.133 0.000 2.112 292 E HA -0.089 4.261 4.350 0.000 0.000 0.190 292 E C 1.920 178.481 176.600 -0.065 0.000 0.979 292 E CA 0.581 56.911 56.400 -0.116 0.000 0.814 292 E CB -0.001 29.631 29.700 -0.114 0.000 0.762 292 E HN 0.289 nan 8.360 nan 0.000 0.460 293 A N 1.170 123.949 122.820 -0.069 0.000 1.978 293 A HA -0.241 4.079 4.320 0.000 0.000 0.220 293 A C 1.968 179.574 177.584 0.036 0.000 1.170 293 A CA 1.597 53.709 52.037 0.126 0.000 0.636 293 A CB -0.424 18.521 19.000 -0.092 0.000 0.810 293 A HN 0.295 nan 8.150 nan 0.000 0.448 294 E N -0.097 120.072 120.200 -0.052 0.000 2.107 294 E HA -0.163 4.187 4.350 0.000 0.000 0.191 294 E C 1.865 178.415 176.600 -0.082 0.000 0.982 294 E CA 1.063 57.427 56.400 -0.059 0.000 0.809 294 E CB -0.053 29.614 29.700 -0.055 0.000 0.756 294 E HN 0.662 nan 8.360 nan 0.000 0.459 295 K N 0.346 120.680 120.400 -0.110 0.000 2.074 295 K HA -0.154 4.166 4.320 0.000 0.000 0.209 295 K C 1.128 177.611 176.600 -0.195 0.000 1.048 295 K CA 1.675 57.880 56.287 -0.137 0.000 0.926 295 K CB -0.171 32.239 32.500 -0.149 0.000 0.713 295 K HN 0.071 nan 8.250 nan 0.000 0.444 296 N N 0.180 118.689 118.700 -0.319 0.000 2.251 296 N HA 0.152 4.892 4.740 0.000 0.000 0.217 296 N C -0.618 174.814 175.510 -0.131 0.000 1.124 296 N CA -0.109 52.696 53.050 -0.409 0.000 0.843 296 N CB 0.794 38.566 38.487 -1.193 0.000 1.024 296 N HN 0.164 nan 8.380 nan 0.000 0.501 297 A N 1.364 124.161 122.820 -0.038 0.000 2.492 297 A HA 0.261 4.581 4.320 0.000 0.000 0.236 297 A C -1.955 175.651 177.584 0.036 0.000 1.078 297 A CA -0.683 51.378 52.037 0.039 0.000 0.773 297 A CB -0.283 18.718 19.000 0.001 0.000 1.023 297 A HN 0.066 nan 8.150 nan 0.000 0.504 298 P HA 0.393 nan 4.420 nan 0.000 0.268 298 P C -0.453 176.938 177.300 0.153 0.000 1.204 298 P CA 0.702 63.857 63.100 0.091 0.000 0.768 298 P CB 0.888 32.638 31.700 0.083 0.000 0.842 299 A N 3.321 126.233 122.820 0.153 0.000 2.566 299 A HA 0.771 5.091 4.320 0.000 0.000 0.292 299 A C -1.277 176.372 177.584 0.109 0.000 1.112 299 A CA -0.628 51.539 52.037 0.218 0.000 0.707 299 A CB 1.244 20.482 19.000 0.398 0.000 1.302 299 A HN 0.427 nan 8.150 nan 0.000 0.409 300 I N 1.406 122.028 120.570 0.086 0.000 2.418 300 I HA 0.354 4.524 4.170 0.000 0.000 0.287 300 I C -1.030 175.039 176.117 -0.080 0.000 1.008 300 I CA -0.279 61.060 61.300 0.065 0.000 1.104 300 I CB 1.624 39.754 38.000 0.216 0.000 1.264 300 I HN 0.470 nan 8.210 nan 0.000 0.438 301 I N 6.311 126.815 120.570 -0.110 0.000 2.312 301 I HA 0.238 4.408 4.170 0.000 0.000 0.290 301 I C -0.767 175.332 176.117 -0.031 0.000 1.008 301 I CA -0.441 60.753 61.300 -0.177 0.000 1.226 301 I CB 1.055 38.844 38.000 -0.351 0.000 1.371 301 I HN 0.390 nan 8.210 nan 0.000 0.468 302 F N 8.288 128.086 119.950 -0.254 0.000 2.361 302 F HA 0.532 5.059 4.527 0.000 0.000 0.364 302 F C -0.199 175.595 175.800 -0.010 0.000 1.117 302 F CA -0.776 57.181 58.000 -0.071 0.000 1.071 302 F CB 0.697 39.700 39.000 0.005 0.000 1.188 302 F HN 0.220 nan 8.300 nan 0.000 0.464 303 I N 6.608 126.868 120.570 -0.516 0.000 2.325 303 I HA 0.096 4.266 4.170 0.000 0.000 0.291 303 I C 0.727 176.366 176.117 -0.798 0.000 1.019 303 I CA -0.272 60.794 61.300 -0.389 0.000 1.302 303 I CB 0.973 38.895 38.000 -0.130 0.000 1.401 303 I HN 0.607 nan 8.210 nan 0.000 0.485 304 D N 4.624 124.736 120.400 -0.480 0.000 2.074 304 D HA -0.134 4.506 4.640 0.000 0.000 0.221 304 D C 0.909 177.088 176.300 -0.201 0.000 0.972 304 D CA 1.554 55.357 54.000 -0.329 0.000 0.901 304 D CB 0.313 41.110 40.800 -0.005 0.000 1.047 304 D HN 0.533 nan 8.370 nan 0.000 0.453 305 E N 0.377 120.524 120.200 -0.088 0.000 2.303 305 E HA 0.072 4.422 4.350 0.000 0.000 0.211 305 E C 1.315 177.870 176.600 -0.074 0.000 1.223 305 E CA -0.357 56.010 56.400 -0.055 0.000 1.344 305 E CB 0.094 29.785 29.700 -0.015 0.000 1.299 305 E HN 0.158 nan 8.360 nan 0.000 0.441 306 L N 2.175 123.321 121.223 -0.128 0.000 2.353 306 L HA -0.393 3.947 4.340 0.000 0.000 0.232 306 L C 1.619 178.440 176.870 -0.082 0.000 1.132 306 L CA 2.765 57.529 54.840 -0.127 0.000 0.857 306 L CB -0.550 41.381 42.059 -0.214 0.000 0.941 306 L HN 0.401 nan 8.230 nan 0.000 0.451 307 D N -1.177 119.183 120.400 -0.067 0.000 2.384 307 D HA -0.085 4.555 4.640 0.000 0.000 0.222 307 D C 1.680 177.963 176.300 -0.029 0.000 0.976 307 D CA 1.019 54.993 54.000 -0.044 0.000 0.915 307 D CB -0.347 40.434 40.800 -0.033 0.000 0.896 307 D HN 0.527 nan 8.370 nan 0.000 0.523 308 A N -0.267 122.536 122.820 -0.029 0.000 2.208 308 A HA 0.233 4.553 4.320 0.000 0.000 0.209 308 A C 1.979 179.555 177.584 -0.013 0.000 1.161 308 A CA 0.393 52.419 52.037 -0.017 0.000 0.782 308 A CB -0.306 18.686 19.000 -0.014 0.000 0.816 308 A HN 0.389 nan 8.150 nan 0.000 0.477 309 I N -2.392 118.166 120.570 -0.020 0.000 4.197 309 I HA 0.226 4.396 4.170 0.000 0.000 0.307 309 I C 0.918 177.027 176.117 -0.013 0.000 1.236 309 I CA 0.543 61.835 61.300 -0.012 0.000 1.321 309 I CB 0.618 38.613 38.000 -0.009 0.000 1.309 309 I HN 0.162 nan 8.210 nan 0.000 0.450 310 A N 2.582 125.388 122.820 -0.023 0.000 2.709 310 A HA 0.554 4.874 4.320 0.000 0.000 0.332 310 A C -2.302 175.268 177.584 -0.023 0.000 1.241 310 A CA -0.929 51.096 52.037 -0.020 0.000 0.782 310 A CB 0.266 19.253 19.000 -0.022 0.000 1.109 310 A HN 0.016 nan 8.150 nan 0.000 0.472 311 P HA 0.099 nan 4.420 nan 0.000 0.279 311 P C 1.078 178.374 177.300 -0.007 0.000 1.237 311 P CA -0.010 63.083 63.100 -0.013 0.000 0.888 311 P CB 0.435 32.130 31.700 -0.009 0.000 1.324 312 K N 1.175 121.574 120.400 -0.002 0.000 2.859 312 K HA -0.330 3.990 4.320 0.000 0.000 0.200 312 K C 2.063 178.664 176.600 0.001 0.000 0.923 312 K CA 2.437 58.724 56.287 0.000 0.000 0.831 312 K CB -0.561 31.938 32.500 -0.002 0.000 1.414 312 K HN -0.101 nan 8.250 nan 0.000 0.535 313 R N 0.037 120.535 120.500 -0.003 0.000 2.307 313 R HA -0.303 4.037 4.340 0.000 0.000 0.224 313 R C 1.459 177.760 176.300 0.002 0.000 1.106 313 R CA 2.848 58.946 56.100 -0.003 0.000 0.840 313 R CB -0.248 30.047 30.300 -0.009 0.000 0.952 313 R HN 0.428 nan 8.270 nan 0.000 0.401 314 E N -2.465 117.738 120.200 0.004 0.000 2.576 314 E HA 0.075 4.425 4.350 0.000 0.000 0.214 314 E C 0.775 177.389 176.600 0.022 0.000 0.859 314 E CA 0.016 56.423 56.400 0.012 0.000 1.399 314 E CB 0.710 30.413 29.700 0.006 0.000 1.374 314 E HN 0.081 nan 8.360 nan 0.000 0.718 315 K N 0.305 120.715 120.400 0.017 0.000 2.444 315 K HA 0.132 4.452 4.320 0.000 0.000 0.193 315 K C 0.102 176.727 176.600 0.042 0.000 1.024 315 K CA 0.338 56.639 56.287 0.023 0.000 1.077 315 K CB 0.268 32.772 32.500 0.007 0.000 0.833 315 K HN -0.044 nan 8.250 nan 0.000 0.517 316 T N 0.254 114.834 114.554 0.043 0.000 2.869 316 T HA 0.131 4.481 4.350 0.000 0.000 0.295 316 T C -1.483 173.282 174.700 0.108 0.000 0.987 316 T CA -0.250 61.881 62.100 0.052 0.000 1.109 316 T CB 0.310 69.189 68.868 0.019 0.000 0.932 316 T HN 0.340 nan 8.240 nan 0.000 0.518 317 H N 1.940 121.005 119.070 -0.008 0.000 3.298 317 H HA 0.438 4.994 4.556 0.000 0.000 0.328 317 H C -0.708 174.617 175.328 -0.006 0.000 1.278 317 H CA 0.073 56.117 56.048 -0.007 0.000 1.609 317 H CB 0.538 30.296 29.762 -0.007 0.000 2.082 317 H HN 1.060 nan 8.280 nan 0.000 0.465 318 G N 3.697 112.505 108.800 0.014 0.000 2.046 318 G HA2 0.063 4.023 3.960 0.000 0.000 0.245 318 G HA3 0.063 4.023 3.960 0.000 0.000 0.245 318 G C 0.265 175.158 174.900 -0.011 0.000 1.723 318 G CA -0.328 44.806 45.100 0.058 0.000 0.909 318 G HN 0.398 nan 8.290 nan 0.000 0.737 319 E N 1.126 121.317 120.200 -0.016 0.000 2.527 319 E HA 0.091 4.441 4.350 0.000 0.000 0.204 319 E C 1.348 177.941 176.600 -0.011 0.000 1.132 319 E CA 1.216 57.602 56.400 -0.023 0.000 0.905 319 E CB 0.091 29.780 29.700 -0.018 0.000 0.875 319 E HN 0.439 nan 8.360 nan 0.000 0.548 320 V N -0.239 119.674 119.914 -0.002 0.000 3.103 320 V HA -0.042 4.078 4.120 0.000 0.000 0.229 320 V C 1.939 178.032 176.094 -0.001 0.000 1.304 320 V CA 0.423 62.723 62.300 -0.001 0.000 1.298 320 V CB 0.041 31.868 31.823 0.006 0.000 1.093 320 V HN 0.095 nan 8.190 nan 0.000 0.489 321 E N 2.038 122.243 120.200 0.008 0.000 2.070 321 E HA -0.290 4.060 4.350 0.000 0.000 0.197 321 E C 2.232 178.831 176.600 -0.002 0.000 1.004 321 E CA 2.138 58.544 56.400 0.010 0.000 0.805 321 E CB -0.306 29.411 29.700 0.028 0.000 0.744 321 E HN 0.704 nan 8.360 nan 0.000 0.451 322 R N 0.926 121.420 120.500 -0.011 0.000 2.090 322 R HA -0.001 4.339 4.340 0.000 0.000 0.228 322 R C 2.373 178.660 176.300 -0.020 0.000 1.110 322 R CA 1.083 57.171 56.100 -0.019 0.000 0.973 322 R CB -0.493 29.787 30.300 -0.034 0.000 0.869 322 R HN -0.022 nan 8.270 nan 0.000 0.440 323 R N 0.933 121.421 120.500 -0.020 0.000 2.193 323 R HA -0.025 4.315 4.340 0.000 0.000 0.229 323 R C 1.960 178.245 176.300 -0.025 0.000 1.110 323 R CA 1.254 57.341 56.100 -0.022 0.000 0.988 323 R CB -0.108 30.180 30.300 -0.020 0.000 0.871 323 R HN 0.362 nan 8.270 nan 0.000 0.458 324 I N -0.653 119.905 120.570 -0.021 0.000 2.270 324 I HA -0.205 3.965 4.170 0.000 0.000 0.239 324 I C 2.187 178.287 176.117 -0.029 0.000 1.080 324 I CA 0.637 61.922 61.300 -0.025 0.000 1.383 324 I CB -0.408 37.583 38.000 -0.014 0.000 1.097 324 I HN -0.041 nan 8.210 nan 0.000 0.420 325 V N 0.796 120.698 119.914 -0.019 0.000 2.222 325 V HA -0.380 3.740 4.120 0.000 0.000 0.252 325 V C 2.606 178.687 176.094 -0.021 0.000 1.060 325 V CA 2.520 64.811 62.300 -0.014 0.000 1.027 325 V CB -0.935 30.883 31.823 -0.008 0.000 0.644 325 V HN 0.391 nan 8.190 nan 0.000 0.448 326 S N -0.902 114.784 115.700 -0.023 0.000 2.389 326 S HA -0.389 4.081 4.470 0.000 0.000 0.231 326 S C 2.015 176.587 174.600 -0.046 0.000 1.052 326 S CA 2.263 60.447 58.200 -0.027 0.000 1.053 326 S CB -0.461 62.724 63.200 -0.026 0.000 0.886 326 S HN 0.684 nan 8.310 nan 0.000 0.456 327 Q N 0.922 120.686 119.800 -0.059 0.000 2.084 327 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 327 Q C 2.000 177.913 176.000 -0.145 0.000 0.978 327 Q CA 1.427 57.174 55.803 -0.094 0.000 0.844 327 Q CB -0.670 28.017 28.738 -0.086 0.000 0.898 327 Q HN 0.476 nan 8.270 nan 0.000 0.426 328 L N -0.417 120.737 121.223 -0.115 0.000 2.056 328 L HA -0.069 4.271 4.340 0.000 0.000 0.207 328 L C 2.045 178.861 176.870 -0.090 0.000 1.078 328 L CA 1.593 56.354 54.840 -0.131 0.000 0.749 328 L CB -0.633 41.413 42.059 -0.022 0.000 0.901 328 L HN 0.379 nan 8.230 nan 0.000 0.433 329 L N -1.085 120.119 121.223 -0.032 0.000 1.989 329 L HA -0.270 4.070 4.340 0.000 0.000 0.211 329 L C 2.393 179.242 176.870 -0.035 0.000 1.071 329 L CA 2.061 56.900 54.840 -0.001 0.000 0.749 329 L CB -1.300 40.764 42.059 0.008 0.000 0.890 329 L HN 0.293 nan 8.230 nan 0.000 0.431 330 T N 0.487 115.003 114.554 -0.064 0.000 2.635 330 T HA -0.243 4.107 4.350 0.000 0.000 0.267 330 T C 1.973 176.607 174.700 -0.110 0.000 1.040 330 T CA 1.537 63.594 62.100 -0.072 0.000 1.156 330 T CB -0.453 68.366 68.868 -0.081 0.000 0.863 330 T HN 0.188 nan 8.240 nan 0.000 0.430 331 L N 0.101 121.185 121.223 -0.232 0.000 2.081 331 L HA -0.161 4.179 4.340 0.000 0.000 0.212 331 L C 2.810 179.593 176.870 -0.144 0.000 1.080 331 L CA 1.015 55.614 54.840 -0.401 0.000 0.754 331 L CB -0.565 40.840 42.059 -1.089 0.000 0.893 331 L HN 0.286 nan 8.230 nan 0.000 0.433 332 M N -0.532 119.039 119.600 -0.048 0.000 2.066 332 M HA -0.224 4.256 4.480 0.000 0.000 0.259 332 M C 1.965 178.304 176.300 0.065 0.000 1.074 332 M CA 1.773 57.136 55.300 0.105 0.000 1.114 332 M CB -1.251 31.385 32.600 0.060 0.000 1.306 332 M HN 0.218 nan 8.290 nan 0.000 0.411 333 D N 0.025 120.442 120.400 0.028 0.000 2.265 333 D HA -0.102 4.538 4.640 0.000 0.000 0.208 333 D C 1.887 178.205 176.300 0.031 0.000 0.977 333 D CA 1.425 55.442 54.000 0.028 0.000 0.871 333 D CB -0.495 40.316 40.800 0.020 0.000 0.925 333 D HN 0.517 nan 8.370 nan 0.000 0.485 334 G N 0.307 109.124 108.800 0.029 0.000 2.534 334 G HA2 -0.037 3.923 3.960 0.000 0.000 0.217 334 G HA3 -0.037 3.923 3.960 0.000 0.000 0.217 334 G C 1.147 176.079 174.900 0.053 0.000 1.128 334 G CA -0.023 45.096 45.100 0.031 0.000 0.784 334 G HN 0.186 nan 8.290 nan 0.000 0.542 335 L N -1.141 120.132 121.223 0.082 0.000 2.341 335 L HA 0.316 4.656 4.340 0.000 0.000 0.185 335 L C 0.851 177.750 176.870 0.048 0.000 1.091 335 L CA -0.173 54.709 54.840 0.069 0.000 0.899 335 L CB -0.003 42.108 42.059 0.086 0.000 1.357 335 L HN 0.120 nan 8.230 nan 0.000 0.535 340 H N 0.931 119.991 119.070 -0.016 0.000 2.615 340 H HA 0.491 5.047 4.556 0.000 0.000 0.363 340 H C 0.131 175.428 175.328 -0.052 0.000 1.148 340 H CA 1.405 57.408 56.048 -0.074 0.000 1.401 340 H CB 1.761 31.407 29.762 -0.193 0.000 1.461 340 H HN 1.114 nan 8.280 nan 0.000 0.588 341 V N 3.778 123.752 119.914 0.099 0.000 2.540 341 V HA 0.510 4.630 4.120 0.000 0.000 0.302 341 V C -0.342 175.775 176.094 0.039 0.000 1.035 341 V CA -0.741 61.585 62.300 0.042 0.000 0.873 341 V CB 1.342 33.147 31.823 -0.030 0.000 0.992 341 V HN 0.545 nan 8.190 nan 0.000 0.428 342 I N 4.802 125.370 120.570 -0.003 0.000 2.525 342 I HA 0.580 4.750 4.170 0.000 0.000 0.301 342 I C -0.516 175.556 176.117 -0.075 0.000 0.992 342 I CA -1.086 60.188 61.300 -0.044 0.000 1.162 342 I CB 2.292 40.277 38.000 -0.025 0.000 1.332 342 I HN 0.466 nan 8.210 nan 0.000 0.458 343 V N 6.287 126.125 119.914 -0.127 0.000 2.435 343 V HA 0.457 4.577 4.120 0.000 0.000 0.290 343 V C -0.126 175.995 176.094 0.044 0.000 1.030 343 V CA -0.440 61.786 62.300 -0.123 0.000 0.881 343 V CB 1.605 33.261 31.823 -0.278 0.000 0.983 343 V HN 0.620 nan 8.190 nan 0.000 0.445 344 M N 4.168 123.905 119.600 0.228 0.000 2.321 344 M HA 0.780 5.260 4.480 0.000 0.000 0.315 344 M C -0.336 176.172 176.300 0.347 0.000 1.052 344 M CA -0.281 55.267 55.300 0.413 0.000 0.936 344 M CB 2.186 35.084 32.600 0.497 0.000 1.639 344 M HN 0.739 nan 8.290 nan 0.000 0.433 345 A N 2.327 125.304 122.820 0.261 0.000 2.386 345 A HA 1.036 5.356 4.320 0.000 0.000 0.308 345 A C -1.412 176.078 177.584 -0.157 0.000 1.128 345 A CA -0.680 51.230 52.037 -0.211 0.000 0.789 345 A CB 1.644 20.354 19.000 -0.485 0.000 1.325 345 A HN 0.865 nan 8.150 nan 0.000 0.437 346 A N -0.077 122.588 122.820 -0.258 0.000 2.449 346 A HA 0.884 5.204 4.320 0.000 0.000 0.302 346 A C -0.426 177.142 177.584 -0.027 0.000 1.048 346 A CA -0.225 51.805 52.037 -0.012 0.000 0.708 346 A CB 1.743 20.884 19.000 0.234 0.000 1.274 346 A HN 1.354 nan 8.150 nan 0.000 0.410 347 T N -0.248 114.346 114.554 0.067 0.000 2.739 347 T HA 0.316 4.666 4.350 0.000 0.000 0.303 347 T C 0.553 175.331 174.700 0.129 0.000 1.389 347 T CA -0.359 61.786 62.100 0.075 0.000 1.001 347 T CB 1.160 70.066 68.868 0.063 0.000 1.436 347 T HN 0.686 nan 8.240 nan 0.000 0.500 348 N N 0.177 118.913 118.700 0.061 0.000 2.354 348 N HA 0.107 4.847 4.740 0.000 0.000 0.179 348 N C 0.470 175.961 175.510 -0.032 0.000 1.021 348 N CA 0.360 53.430 53.050 0.032 0.000 0.887 348 N CB 0.269 38.756 38.487 -0.001 0.000 0.974 348 N HN 0.455 nan 8.380 nan 0.000 0.437 349 R N -1.548 118.880 120.500 -0.120 0.000 2.765 349 R HA 0.223 4.563 4.340 0.000 0.000 0.277 349 R C -3.006 172.995 176.300 -0.498 0.000 1.028 349 R CA -1.255 54.579 56.100 -0.444 0.000 0.860 349 R CB 0.831 30.951 30.300 -0.299 0.000 1.270 349 R HN -0.310 nan 8.270 nan 0.000 0.484 350 P HA -0.258 nan 4.420 nan 0.000 0.210 350 P C 0.262 177.469 177.300 -0.156 0.000 1.151 350 P CA 2.177 65.057 63.100 -0.365 0.000 0.949 350 P CB -0.180 31.335 31.700 -0.308 0.000 0.786 351 N N -0.944 117.665 118.700 -0.151 0.000 2.182 351 N HA -0.217 4.523 4.740 0.000 0.000 0.200 351 N C 1.624 177.094 175.510 -0.066 0.000 0.989 351 N CA 2.154 55.149 53.050 -0.091 0.000 0.907 351 N CB -1.325 37.108 38.487 -0.091 0.000 1.048 351 N HN 0.192 nan 8.380 nan 0.000 0.494 352 S N 0.013 115.670 115.700 -0.073 0.000 2.348 352 S HA -0.033 4.437 4.470 0.000 0.000 0.221 352 S C 0.949 175.528 174.600 -0.036 0.000 1.033 352 S CA 0.484 58.655 58.200 -0.047 0.000 1.010 352 S CB -0.118 63.056 63.200 -0.043 0.000 0.891 352 S HN 0.179 nan 8.310 nan 0.000 0.442 353 I N 2.790 123.341 120.570 -0.032 0.000 2.836 353 I HA 0.089 4.259 4.170 0.000 0.000 0.285 353 I C 0.628 176.731 176.117 -0.023 0.000 1.174 353 I CA -0.821 60.459 61.300 -0.032 0.000 1.405 353 I CB -0.100 37.880 38.000 -0.033 0.000 1.385 353 I HN 0.158 nan 8.210 nan 0.000 0.594 354 D N 6.751 127.138 120.400 -0.022 0.000 2.417 354 D HA 0.074 4.714 4.640 0.000 0.000 0.250 354 D C -1.714 174.586 176.300 0.000 0.000 1.166 354 D CA -1.601 52.394 54.000 -0.008 0.000 0.881 354 D CB 1.516 42.315 40.800 -0.002 0.000 1.164 354 D HN 0.178 nan 8.370 nan 0.000 0.467 355 P HA -0.131 nan 4.420 nan 0.000 0.218 355 P C 0.881 178.187 177.300 0.010 0.000 1.146 355 P CA 1.344 64.445 63.100 0.002 0.000 0.813 355 P CB 0.184 31.883 31.700 -0.001 0.000 0.778 356 A N -0.539 122.292 122.820 0.019 0.000 1.972 356 A HA -0.159 4.161 4.320 0.000 0.000 0.219 356 A C 2.063 179.683 177.584 0.059 0.000 1.169 356 A CA 1.268 53.325 52.037 0.033 0.000 0.635 356 A CB -1.587 17.431 19.000 0.031 0.000 0.810 356 A HN 0.164 nan 8.150 nan 0.000 0.446 357 L N -0.867 120.401 121.223 0.076 0.000 2.362 357 L HA -0.144 4.196 4.340 0.000 0.000 0.219 357 L C 2.579 179.562 176.870 0.187 0.000 1.134 357 L CA 0.548 55.489 54.840 0.168 0.000 0.807 357 L CB -0.428 41.701 42.059 0.117 0.000 0.927 357 L HN 0.307 nan 8.230 nan 0.000 0.447 358 R N 0.092 120.635 120.500 0.072 0.000 2.080 358 R HA 0.046 4.386 4.340 0.000 0.000 0.222 358 R C 0.646 176.892 176.300 -0.091 0.000 1.107 358 R CA 0.082 56.186 56.100 0.006 0.000 0.980 358 R CB -0.586 29.683 30.300 -0.052 0.000 0.879 358 R HN 0.238 nan 8.270 nan 0.000 0.439 359 R N 2.142 122.598 120.500 -0.073 0.000 3.853 359 R HA -0.177 4.163 4.340 0.000 0.000 0.254 359 R C 0.459 176.768 176.300 0.015 0.000 0.565 359 R CA 0.284 56.355 56.100 -0.049 0.000 1.000 359 R CB -0.686 29.662 30.300 0.080 0.000 0.943 359 R HN 0.137 nan 8.270 nan 0.000 0.331 360 F N 1.402 121.377 119.950 0.042 0.000 2.757 360 F HA -0.414 4.113 4.527 0.000 0.000 0.272 360 F C 2.424 178.231 175.800 0.012 0.000 1.291 360 F CA 2.041 60.058 58.000 0.028 0.000 1.576 360 F CB -1.522 37.490 39.000 0.020 0.000 0.729 360 F HN 0.652 nan 8.300 nan 0.000 0.523 361 G N 0.025 108.967 108.800 0.236 0.000 2.689 361 G HA2 -0.151 3.809 3.960 0.000 0.000 0.216 361 G HA3 -0.151 3.809 3.960 0.000 0.000 0.216 361 G C 1.170 176.086 174.900 0.026 0.000 1.119 361 G CA 1.389 46.549 45.100 0.100 0.000 0.732 361 G HN 0.405 nan 8.290 nan 0.000 0.576 362 R N -1.441 119.071 120.500 0.019 0.000 1.996 362 R HA 0.423 4.763 4.340 0.000 0.000 0.120 362 R C -0.220 175.977 176.300 -0.172 0.000 1.829 362 R CA -0.715 55.347 56.100 -0.063 0.000 1.637 362 R CB -0.112 30.220 30.300 0.054 0.000 1.313 362 R HN 0.108 nan 8.270 nan 0.000 0.487 363 F N 2.804 122.755 119.950 0.001 0.000 2.626 363 F HA 0.064 4.591 4.527 0.000 0.000 0.353 363 F C 0.322 176.095 175.800 -0.046 0.000 1.230 363 F CA -0.252 57.735 58.000 -0.022 0.000 1.298 363 F CB 0.002 38.984 39.000 -0.029 0.000 1.670 363 F HN 0.419 nan 8.300 nan 0.000 0.633 364 D N -1.011 119.415 120.400 0.044 0.000 2.355 364 D HA -0.020 4.620 4.640 0.000 0.000 0.218 364 D C 0.489 176.803 176.300 0.024 0.000 1.004 364 D CA 0.301 54.312 54.000 0.019 0.000 0.880 364 D CB 0.191 41.019 40.800 0.047 0.000 0.911 364 D HN -0.007 nan 8.370 nan 0.000 0.528 365 R N 0.629 121.151 120.500 0.035 0.000 2.562 365 R HA 0.568 4.908 4.340 0.000 0.000 0.298 365 R C -0.420 175.880 176.300 -0.001 0.000 0.961 365 R CA -0.510 55.602 56.100 0.020 0.000 0.881 365 R CB 1.405 31.714 30.300 0.015 0.000 1.159 365 R HN 0.188 nan 8.270 nan 0.000 0.450 366 E N 1.042 121.222 120.200 -0.034 0.000 2.266 366 E HA 0.572 4.922 4.350 0.000 0.000 0.268 366 E C -1.026 175.521 176.600 -0.088 0.000 0.879 366 E CA -1.013 55.307 56.400 -0.132 0.000 0.762 366 E CB 2.981 32.608 29.700 -0.123 0.000 1.199 366 E HN 0.104 nan 8.360 nan 0.000 0.422 367 V N 1.925 121.754 119.914 -0.142 0.000 2.612 367 V HA 0.151 4.271 4.120 0.000 0.000 0.301 367 V C -1.124 174.965 176.094 -0.007 0.000 1.059 367 V CA -0.886 61.389 62.300 -0.042 0.000 0.886 367 V CB 1.928 33.737 31.823 -0.024 0.000 1.007 367 V HN 0.686 nan 8.190 nan 0.000 0.426 368 D N 4.659 125.106 120.400 0.078 0.000 2.396 368 D HA 0.399 5.039 4.640 0.000 0.000 0.225 368 D C -0.229 176.124 176.300 0.088 0.000 1.121 368 D CA -0.139 53.948 54.000 0.144 0.000 0.853 368 D CB 0.807 41.705 40.800 0.163 0.000 1.043 368 D HN 0.493 nan 8.370 nan 0.000 0.500 369 I N 4.495 125.118 120.570 0.089 0.000 2.256 369 I HA 0.297 4.467 4.170 0.000 0.000 0.294 369 I C 1.477 177.630 176.117 0.060 0.000 1.127 369 I CA -0.674 60.662 61.300 0.061 0.000 1.247 369 I CB 0.753 38.786 38.000 0.056 0.000 1.460 369 I HN 0.436 nan 8.210 nan 0.000 0.511 370 G N 6.776 115.605 108.800 0.049 0.000 2.479 370 G HA2 0.308 4.268 3.960 0.000 0.000 0.275 370 G HA3 0.308 4.268 3.960 0.000 0.000 0.275 370 G C 0.181 175.103 174.900 0.037 0.000 1.421 370 G CA -0.598 44.527 45.100 0.041 0.000 1.059 370 G HN 0.655 nan 8.290 nan 0.000 0.535 371 I N -1.426 119.164 120.570 0.033 0.000 2.428 371 I HA 0.484 4.654 4.170 0.000 0.000 0.296 371 I C -2.346 173.791 176.117 0.034 0.000 0.985 371 I CA -2.065 59.256 61.300 0.036 0.000 1.260 371 I CB 1.358 39.379 38.000 0.035 0.000 1.389 371 I HN 0.140 nan 8.210 nan 0.000 0.484 372 P HA 0.039 nan 4.420 nan 0.000 0.270 372 P C -1.072 176.240 177.300 0.020 0.000 1.221 372 P CA 0.003 63.121 63.100 0.030 0.000 0.788 372 P CB 0.355 32.077 31.700 0.037 0.000 0.904 373 D N -0.707 119.697 120.400 0.007 0.000 2.564 373 D HA 0.355 4.995 4.640 0.000 0.000 0.273 373 D C 1.034 177.321 176.300 -0.021 0.000 1.192 373 D CA -0.554 53.441 54.000 -0.008 0.000 1.080 373 D CB -0.237 40.557 40.800 -0.010 0.000 1.160 373 D HN 0.225 nan 8.370 nan 0.000 0.607 374 A N -0.348 122.445 122.820 -0.045 0.000 1.865 374 A HA -0.169 4.151 4.320 0.000 0.000 0.217 374 A C 2.135 179.698 177.584 -0.035 0.000 1.191 374 A CA 2.668 54.669 52.037 -0.059 0.000 0.623 374 A CB -1.565 17.389 19.000 -0.078 0.000 0.826 374 A HN 0.654 nan 8.150 nan 0.000 0.444 375 T N -0.169 114.370 114.554 -0.026 0.000 2.720 375 T HA -0.078 4.272 4.350 0.000 0.000 0.268 375 T C 1.951 176.647 174.700 -0.007 0.000 1.037 375 T CA 1.546 63.636 62.100 -0.016 0.000 1.144 375 T CB -0.744 68.116 68.868 -0.013 0.000 0.864 375 T HN 0.627 nan 8.240 nan 0.000 0.444 376 G N 1.434 110.233 108.800 -0.002 0.000 2.442 376 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 376 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 376 G C 1.739 176.651 174.900 0.019 0.000 1.141 376 G CA 0.447 45.553 45.100 0.010 0.000 0.763 376 G HN 0.431 nan 8.290 nan 0.000 0.554 377 R N -0.571 119.936 120.500 0.012 0.000 2.073 377 R HA 0.134 4.474 4.340 0.000 0.000 0.229 377 R C 2.436 178.743 176.300 0.012 0.000 1.120 377 R CA 0.572 56.682 56.100 0.017 0.000 0.967 377 R CB -0.596 29.706 30.300 0.003 0.000 0.862 377 R HN 0.263 nan 8.270 nan 0.000 0.436 378 L N 1.828 123.048 121.223 -0.005 0.000 2.043 378 L HA -0.223 4.117 4.340 0.000 0.000 0.212 378 L C 1.952 178.827 176.870 0.007 0.000 1.075 378 L CA 1.963 56.797 54.840 -0.011 0.000 0.752 378 L CB -0.672 41.374 42.059 -0.020 0.000 0.891 378 L HN 0.232 nan 8.230 nan 0.000 0.432 379 E N -0.139 120.069 120.200 0.014 0.000 2.023 379 E HA -0.240 4.110 4.350 0.000 0.000 0.196 379 E C 2.305 178.934 176.600 0.049 0.000 1.003 379 E CA 1.879 58.294 56.400 0.024 0.000 0.809 379 E CB -0.156 29.557 29.700 0.022 0.000 0.755 379 E HN 0.549 nan 8.360 nan 0.000 0.449 380 I N 0.780 121.390 120.570 0.067 0.000 2.194 380 I HA -0.329 3.841 4.170 0.000 0.000 0.246 380 I C 2.405 178.621 176.117 0.166 0.000 1.093 380 I CA 0.956 62.332 61.300 0.126 0.000 1.355 380 I CB -0.302 37.765 38.000 0.111 0.000 1.046 380 I HN 0.234 nan 8.210 nan 0.000 0.413 381 L N 0.103 121.387 121.223 0.102 0.000 1.989 381 L HA -0.288 4.052 4.340 0.000 0.000 0.211 381 L C 2.771 179.707 176.870 0.109 0.000 1.071 381 L CA 1.669 56.572 54.840 0.104 0.000 0.749 381 L CB -0.628 41.452 42.059 0.035 0.000 0.890 381 L HN 0.322 nan 8.230 nan 0.000 0.431 382 Q N -0.101 119.735 119.800 0.061 0.000 2.030 382 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 382 Q C 2.277 178.305 176.000 0.047 0.000 0.986 382 Q CA 1.828 57.657 55.803 0.043 0.000 0.843 382 Q CB -0.312 28.439 28.738 0.021 0.000 0.904 382 Q HN 0.525 nan 8.270 nan 0.000 0.420 383 I N 0.109 120.703 120.570 0.039 0.000 2.151 383 I HA -0.295 3.875 4.170 0.000 0.000 0.243 383 I C 1.491 177.544 176.117 -0.108 0.000 1.080 383 I CA 1.470 62.748 61.300 -0.038 0.000 1.339 383 I CB -0.365 37.598 38.000 -0.061 0.000 1.039 383 I HN 0.271 nan 8.210 nan 0.000 0.409 384 H N -0.348 118.750 119.070 0.047 0.000 2.547 384 H HA 0.025 4.581 4.556 0.000 0.000 0.274 384 H C 1.266 176.640 175.328 0.077 0.000 1.024 384 H CA 1.123 57.205 56.048 0.057 0.000 1.155 384 H CB -0.001 29.799 29.762 0.064 0.000 1.344 384 H HN 0.387 nan 8.280 nan 0.000 0.598 385 T N -3.316 111.323 114.554 0.142 0.000 3.111 385 T HA 0.034 4.384 4.350 0.000 0.000 0.284 385 T C 1.501 176.252 174.700 0.084 0.000 0.983 385 T CA -0.499 61.686 62.100 0.142 0.000 0.900 385 T CB 0.208 69.183 68.868 0.178 0.000 1.132 385 T HN 0.371 nan 8.240 nan 0.000 0.531 386 K N 1.675 122.103 120.400 0.047 0.000 2.209 386 K HA 0.020 4.340 4.320 0.000 0.000 0.204 386 K C 1.286 177.910 176.600 0.040 0.000 1.048 386 K CA 1.058 57.365 56.287 0.032 0.000 0.940 386 K CB -0.291 32.214 32.500 0.008 0.000 0.729 386 K HN 0.130 nan 8.250 nan 0.000 0.451 387 N N 0.949 119.674 118.700 0.041 0.000 2.336 387 N HA 0.102 4.842 4.740 0.000 0.000 0.189 387 N C 0.241 175.785 175.510 0.056 0.000 1.113 387 N CA 0.367 53.447 53.050 0.050 0.000 0.858 387 N CB 0.239 38.750 38.487 0.040 0.000 0.970 387 N HN 0.449 nan 8.380 nan 0.000 0.471 388 M N -1.020 118.617 119.600 0.062 0.000 2.644 388 M HA 0.407 4.887 4.480 0.000 0.000 0.316 388 M C -0.035 176.300 176.300 0.058 0.000 1.200 388 M CA -0.804 54.532 55.300 0.060 0.000 0.944 388 M CB 2.192 34.836 32.600 0.074 0.000 1.691 388 M HN -0.323 nan 8.290 nan 0.000 0.471 389 K N 3.040 123.465 120.400 0.043 0.000 2.273 389 K HA 0.453 4.773 4.320 0.000 0.000 0.287 389 K C -1.544 175.092 176.600 0.059 0.000 1.089 389 K CA -0.268 56.040 56.287 0.035 0.000 0.909 389 K CB 0.250 32.757 32.500 0.011 0.000 1.123 389 K HN 0.765 nan 8.250 nan 0.000 0.473 390 L N 3.930 125.193 121.223 0.066 0.000 2.289 390 L HA 0.388 4.728 4.340 0.000 0.000 0.285 390 L C 0.576 177.477 176.870 0.053 0.000 1.049 390 L CA -0.842 54.050 54.840 0.088 0.000 0.804 390 L CB 1.481 43.584 42.059 0.073 0.000 1.195 390 L HN 0.663 nan 8.230 nan 0.000 0.428 391 A N 1.771 124.628 122.820 0.063 0.000 2.406 391 A HA 0.074 4.394 4.320 0.000 0.000 0.243 391 A C 0.720 178.316 177.584 0.021 0.000 1.082 391 A CA -0.333 51.727 52.037 0.038 0.000 0.786 391 A CB 0.154 19.182 19.000 0.046 0.000 1.029 391 A HN 0.833 nan 8.150 nan 0.000 0.495 392 D N 0.294 120.700 120.400 0.011 0.000 2.263 392 D HA -0.129 4.511 4.640 0.000 0.000 0.208 392 D C 1.147 177.445 176.300 -0.004 0.000 0.971 392 D CA 1.655 55.655 54.000 0.001 0.000 0.867 392 D CB -0.112 40.689 40.800 0.001 0.000 0.929 392 D HN 0.740 nan 8.370 nan 0.000 0.492 393 D N 0.055 120.458 120.400 0.006 0.000 2.347 393 D HA -0.079 4.561 4.640 0.000 0.000 0.215 393 D C 0.582 176.874 176.300 -0.012 0.000 0.976 393 D CA -0.044 53.958 54.000 0.003 0.000 0.884 393 D CB -0.361 40.450 40.800 0.019 0.000 0.915 393 D HN -0.048 nan 8.370 nan 0.000 0.526 394 V N 1.667 121.566 119.914 -0.024 0.000 2.493 394 V HA 0.013 4.133 4.120 0.000 0.000 0.292 394 V C 0.185 176.199 176.094 -0.133 0.000 1.016 394 V CA 0.261 62.501 62.300 -0.100 0.000 1.097 394 V CB 0.692 32.436 31.823 -0.132 0.000 0.947 394 V HN 0.138 nan 8.190 nan 0.000 0.479 395 D N 5.127 125.433 120.400 -0.156 0.000 2.458 395 D HA 0.261 4.901 4.640 0.000 0.000 0.258 395 D C 0.901 177.093 176.300 -0.181 0.000 1.134 395 D CA -0.319 53.604 54.000 -0.129 0.000 0.915 395 D CB 1.044 41.797 40.800 -0.077 0.000 1.028 395 D HN 0.415 nan 8.370 nan 0.000 0.508 396 L N 1.950 123.051 121.223 -0.203 0.000 2.131 396 L HA -0.101 4.239 4.340 0.000 0.000 0.210 396 L C 2.214 179.010 176.870 -0.123 0.000 1.092 396 L CA 0.879 55.595 54.840 -0.207 0.000 0.759 396 L CB -0.100 41.858 42.059 -0.169 0.000 0.903 396 L HN 0.461 nan 8.230 nan 0.000 0.435 397 E N 0.197 120.343 120.200 -0.090 0.000 2.077 397 E HA -0.315 4.035 4.350 0.000 0.000 0.193 397 E C 2.144 178.708 176.600 -0.059 0.000 0.989 397 E CA 1.451 57.813 56.400 -0.063 0.000 0.800 397 E CB 0.092 29.763 29.700 -0.049 0.000 0.746 397 E HN 0.327 nan 8.360 nan 0.000 0.452 398 Q N 0.580 120.343 119.800 -0.062 0.000 1.993 398 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 398 Q C 2.151 178.123 176.000 -0.046 0.000 0.984 398 Q CA 2.359 58.135 55.803 -0.045 0.000 0.837 398 Q CB -0.686 28.028 28.738 -0.041 0.000 0.902 398 Q HN 0.245 nan 8.270 nan 0.000 0.423 399 V N 1.274 121.144 119.914 -0.074 0.000 2.278 399 V HA -0.353 3.767 4.120 0.000 0.000 0.251 399 V C 2.388 178.444 176.094 -0.063 0.000 1.062 399 V CA 2.162 64.422 62.300 -0.066 0.000 1.038 399 V CB -1.559 30.192 31.823 -0.119 0.000 0.646 399 V HN 0.563 nan 8.190 nan 0.000 0.447 400 A N 0.339 123.119 122.820 -0.067 0.000 1.877 400 A HA -0.245 4.075 4.320 0.000 0.000 0.216 400 A C 2.062 179.608 177.584 -0.064 0.000 1.186 400 A CA 2.053 54.055 52.037 -0.059 0.000 0.620 400 A CB -0.760 18.209 19.000 -0.052 0.000 0.822 400 A HN 0.600 nan 8.150 nan 0.000 0.443 401 N N 0.515 119.180 118.700 -0.059 0.000 2.205 401 N HA -0.182 4.558 4.740 0.000 0.000 0.186 401 N C 1.513 177.005 175.510 -0.030 0.000 1.015 401 N CA 1.689 54.698 53.050 -0.069 0.000 0.862 401 N CB -0.387 38.076 38.487 -0.040 0.000 0.986 401 N HN 0.887 nan 8.380 nan 0.000 0.429 402 E N -0.219 120.006 120.200 0.040 0.000 2.479 402 E HA 0.011 4.361 4.350 0.000 0.000 0.193 402 E C -0.005 176.728 176.600 0.222 0.000 1.049 402 E CA 0.363 56.863 56.400 0.167 0.000 0.870 402 E CB -0.200 29.548 29.700 0.079 0.000 0.944 402 E HN 0.152 nan 8.360 nan 0.000 0.492 403 T N -1.066 113.535 114.554 0.078 0.000 3.218 403 T HA 0.184 4.534 4.350 0.000 0.000 0.241 403 T C 0.210 175.059 174.700 0.249 0.000 0.929 403 T CA -0.518 61.551 62.100 -0.051 0.000 0.979 403 T CB -0.286 68.307 68.868 -0.458 0.000 1.129 403 T HN 0.068 nan 8.240 nan 0.000 0.559 404 H N 2.818 121.946 119.070 0.095 0.000 2.322 404 H HA -0.161 4.395 4.556 0.000 0.000 0.266 404 H C 2.291 177.695 175.328 0.127 0.000 1.106 404 H CA 2.401 58.507 56.048 0.097 0.000 1.253 404 H CB -0.967 28.837 29.762 0.070 0.000 1.538 404 H HN 0.597 nan 8.280 nan 0.000 0.656 405 G N 0.002 108.974 108.800 0.287 0.000 3.327 405 G HA2 0.016 3.976 3.960 0.000 0.000 0.240 405 G HA3 0.016 3.976 3.960 0.000 0.000 0.240 405 G C -0.445 174.499 174.900 0.073 0.000 1.222 405 G CA -0.135 45.046 45.100 0.135 0.000 0.871 405 G HN 0.332 nan 8.290 nan 0.000 0.525 406 H N -0.577 118.522 119.070 0.049 0.000 2.607 406 H HA 0.443 4.999 4.556 0.000 0.000 0.367 406 H C 0.553 175.896 175.328 0.024 0.000 1.181 406 H CA 0.035 56.102 56.048 0.032 0.000 1.402 406 H CB 1.651 31.433 29.762 0.034 0.000 1.474 406 H HN 0.135 nan 8.280 nan 0.000 0.596 407 V N -0.821 119.153 119.914 0.099 0.000 3.074 407 V HA 0.574 4.694 4.120 0.000 0.000 0.314 407 V C 1.370 177.501 176.094 0.062 0.000 1.117 407 V CA -0.247 62.091 62.300 0.064 0.000 1.014 407 V CB 1.609 33.450 31.823 0.030 0.000 1.057 407 V HN 0.839 nan 8.190 nan 0.000 0.438 408 G N 1.060 109.887 108.800 0.046 0.000 2.606 408 G HA2 -0.313 3.647 3.960 0.000 0.000 0.221 408 G HA3 -0.313 3.647 3.960 0.000 0.000 0.221 408 G C 1.475 176.355 174.900 -0.033 0.000 1.152 408 G CA 1.882 46.994 45.100 0.020 0.000 0.765 408 G HN 1.669 nan 8.290 nan 0.000 0.595 409 A N 0.536 123.349 122.820 -0.011 0.000 1.978 409 A HA -0.087 4.233 4.320 0.000 0.000 0.220 409 A C 2.114 179.686 177.584 -0.020 0.000 1.170 409 A CA 2.215 54.237 52.037 -0.025 0.000 0.636 409 A CB -0.363 18.638 19.000 0.000 0.000 0.810 409 A HN 0.357 nan 8.150 nan 0.000 0.448 410 D N 0.139 120.553 120.400 0.023 0.000 2.077 410 D HA -0.095 4.545 4.640 0.000 0.000 0.196 410 D C 2.037 178.398 176.300 0.102 0.000 0.986 410 D CA 1.213 55.270 54.000 0.095 0.000 0.829 410 D CB -0.466 40.442 40.800 0.179 0.000 0.983 410 D HN 0.444 nan 8.370 nan 0.000 0.453 411 L N 0.924 122.192 121.223 0.074 0.000 2.079 411 L HA -0.186 4.154 4.340 0.000 0.000 0.210 411 L C 2.586 179.418 176.870 -0.063 0.000 1.081 411 L CA 1.215 56.069 54.840 0.023 0.000 0.752 411 L CB -0.493 41.577 42.059 0.019 0.000 0.896 411 L HN -0.024 nan 8.230 nan 0.000 0.433 412 A N 0.029 122.712 122.820 -0.230 0.000 1.902 412 A HA -0.134 4.186 4.320 0.000 0.000 0.217 412 A C 2.546 180.057 177.584 -0.120 0.000 1.181 412 A CA 1.666 53.465 52.037 -0.396 0.000 0.623 412 A CB -0.646 17.974 19.000 -0.632 0.000 0.818 412 A HN 0.399 nan 8.150 nan 0.000 0.443 413 A N -0.795 121.991 122.820 -0.057 0.000 1.930 413 A HA 0.004 4.324 4.320 0.000 0.000 0.217 413 A C 2.066 179.664 177.584 0.023 0.000 1.175 413 A CA 1.639 53.675 52.037 -0.002 0.000 0.627 413 A CB -0.515 18.495 19.000 0.016 0.000 0.815 413 A HN 0.482 nan 8.150 nan 0.000 0.443 414 L N -0.316 120.931 121.223 0.040 0.000 2.046 414 L HA -0.159 4.181 4.340 0.000 0.000 0.208 414 L C 2.540 179.425 176.870 0.026 0.000 1.077 414 L CA 1.836 56.713 54.840 0.061 0.000 0.747 414 L CB -0.885 41.228 42.059 0.089 0.000 0.896 414 L HN 0.507 nan 8.230 nan 0.000 0.432 415 C N -1.793 117.537 119.300 0.049 0.000 2.453 415 C HA -0.091 4.369 4.460 0.000 0.000 0.277 415 C C 2.883 177.842 174.990 -0.052 0.000 1.262 415 C CA 1.009 60.048 59.018 0.034 0.000 1.718 415 C CB -0.950 26.885 27.740 0.159 0.000 2.031 415 C HN 0.564 nan 8.230 nan 0.000 0.480 416 S N 0.519 116.215 115.700 -0.006 0.000 2.370 416 S HA -0.165 4.305 4.470 0.000 0.000 0.226 416 S C 1.845 176.427 174.600 -0.030 0.000 1.033 416 S CA 1.307 59.502 58.200 -0.008 0.000 1.011 416 S CB -0.303 62.904 63.200 0.012 0.000 0.852 416 S HN 0.601 nan 8.310 nan 0.000 0.457 417 E N 1.223 121.419 120.200 -0.007 0.000 2.107 417 E HA 0.053 4.403 4.350 0.000 0.000 0.191 417 E C 2.302 178.886 176.600 -0.027 0.000 0.982 417 E CA 0.912 57.340 56.400 0.047 0.000 0.809 417 E CB -0.427 29.375 29.700 0.169 0.000 0.756 417 E HN 0.476 nan 8.360 nan 0.000 0.459 418 A N 1.173 123.897 122.820 -0.161 0.000 1.969 418 A HA -0.027 4.293 4.320 0.000 0.000 0.218 418 A C 2.335 179.715 177.584 -0.340 0.000 1.169 418 A CA 1.778 53.597 52.037 -0.364 0.000 0.635 418 A CB -0.332 18.039 19.000 -1.049 0.000 0.810 418 A HN 0.247 nan 8.150 nan 0.000 0.445 419 A N -0.398 122.268 122.820 -0.257 0.000 1.898 419 A HA 0.121 4.441 4.320 0.000 0.000 0.214 419 A C 2.101 179.597 177.584 -0.146 0.000 1.183 419 A CA 1.138 53.076 52.037 -0.165 0.000 0.622 419 A CB -0.479 18.465 19.000 -0.094 0.000 0.824 419 A HN 0.427 nan 8.150 nan 0.000 0.444 420 L N -0.677 120.464 121.223 -0.138 0.000 2.141 420 L HA -0.207 4.133 4.340 0.000 0.000 0.209 420 L C 2.834 179.568 176.870 -0.227 0.000 1.094 420 L CA 1.685 56.443 54.840 -0.138 0.000 0.763 420 L CB -0.389 41.613 42.059 -0.094 0.000 0.908 420 L HN 0.545 nan 8.230 nan 0.000 0.437 421 Q N 0.500 120.095 119.800 -0.342 0.000 2.079 421 Q HA -0.152 4.188 4.340 0.000 0.000 0.200 421 Q C 2.153 177.926 176.000 -0.379 0.000 0.974 421 Q CA 2.019 57.482 55.803 -0.567 0.000 0.840 421 Q CB -0.173 28.035 28.738 -0.884 0.000 0.898 421 Q HN 0.392 nan 8.270 nan 0.000 0.430 422 A N 0.345 123.008 122.820 -0.262 0.000 1.902 422 A HA -0.102 4.218 4.320 0.000 0.000 0.217 422 A C 2.152 179.652 177.584 -0.139 0.000 1.181 422 A CA 1.415 53.349 52.037 -0.172 0.000 0.623 422 A CB -0.705 18.222 19.000 -0.121 0.000 0.818 422 A HN 0.494 nan 8.150 nan 0.000 0.443 423 I N -1.085 119.405 120.570 -0.134 0.000 2.361 423 I HA -0.233 3.937 4.170 0.000 0.000 0.251 423 I C 2.722 178.775 176.117 -0.107 0.000 1.133 423 I CA 1.120 62.360 61.300 -0.100 0.000 1.413 423 I CB -0.263 37.686 38.000 -0.084 0.000 1.073 423 I HN 0.306 nan 8.210 nan 0.000 0.424 424 R N 0.435 120.845 120.500 -0.149 0.000 2.119 424 R HA -0.071 4.269 4.340 0.000 0.000 0.222 424 R C 2.206 178.430 176.300 -0.128 0.000 1.088 424 R CA 0.880 56.895 56.100 -0.142 0.000 0.984 424 R CB 0.038 30.225 30.300 -0.189 0.000 0.884 424 R HN 0.347 nan 8.270 nan 0.000 0.447 425 K N 0.195 120.509 120.400 -0.143 0.000 2.029 425 K HA -0.007 4.313 4.320 0.000 0.000 0.205 425 K C 1.646 178.200 176.600 -0.075 0.000 1.042 425 K CA 0.681 56.902 56.287 -0.110 0.000 0.949 425 K CB 0.109 32.539 32.500 -0.117 0.000 0.740 425 K HN -0.063 nan 8.250 nan 0.000 0.442 426 K N 1.227 121.584 120.400 -0.072 0.000 2.005 426 K HA -0.100 4.220 4.320 0.000 0.000 0.209 426 K C 2.004 178.576 176.600 -0.046 0.000 1.033 426 K CA 0.812 57.069 56.287 -0.051 0.000 1.012 426 K CB -0.827 31.645 32.500 -0.046 0.000 1.106 426 K HN 0.105 nan 8.250 nan 0.000 0.452 427 M N 1.571 121.146 119.600 -0.043 0.000 2.907 427 M HA -0.421 4.059 4.480 0.000 0.000 0.263 427 M C 1.821 178.099 176.300 -0.037 0.000 1.036 427 M CA 2.803 58.081 55.300 -0.036 0.000 1.047 427 M CB -0.734 31.844 32.600 -0.036 0.000 1.284 427 M HN 0.436 nan 8.290 nan 0.000 0.500 428 D N -0.572 119.800 120.400 -0.046 0.000 2.204 428 D HA -0.254 4.386 4.640 0.000 0.000 0.189 428 D C 1.858 178.135 176.300 -0.037 0.000 1.006 428 D CA 2.792 56.765 54.000 -0.045 0.000 0.855 428 D CB -0.290 40.474 40.800 -0.061 0.000 0.946 428 D HN 0.579 nan 8.370 nan 0.000 0.448 429 L N 0.358 121.557 121.223 -0.039 0.000 2.109 429 L HA -0.046 4.294 4.340 0.000 0.000 0.207 429 L C 2.676 179.532 176.870 -0.024 0.000 1.086 429 L CA 0.863 55.685 54.840 -0.031 0.000 0.760 429 L CB -0.801 41.239 42.059 -0.032 0.000 0.910 429 L HN 0.375 nan 8.230 nan 0.000 0.437 430 I N -2.640 117.916 120.570 -0.024 0.000 2.286 430 I HA -0.148 4.022 4.170 0.000 0.000 0.248 430 I C 0.139 176.246 176.117 -0.017 0.000 1.115 430 I CA 0.845 62.134 61.300 -0.019 0.000 1.392 430 I CB -0.249 37.739 38.000 -0.019 0.000 1.065 430 I HN 0.195 nan 8.210 nan 0.000 0.418 431 D N 1.159 121.547 120.400 -0.020 0.000 4.520 431 D HA -0.126 4.514 4.640 0.000 0.000 0.245 431 D C -0.911 175.381 176.300 -0.014 0.000 1.068 431 D CA 0.419 54.408 54.000 -0.018 0.000 1.211 431 D CB -0.508 40.283 40.800 -0.015 0.000 0.818 431 D HN 0.362 nan 8.370 nan 0.000 0.392 432 L N 3.305 124.519 121.223 -0.015 0.000 2.980 432 L HA 0.333 4.673 4.340 0.000 0.000 0.314 432 L C 0.217 177.081 176.870 -0.011 0.000 1.303 432 L CA -0.092 54.742 54.840 -0.011 0.000 0.785 432 L CB 0.933 42.986 42.059 -0.010 0.000 1.190 432 L HN 0.165 nan 8.230 nan 0.000 0.567 433 E N -0.099 120.094 120.200 -0.012 0.000 2.334 433 E HA 0.507 4.857 4.350 0.000 0.000 0.256 433 E C -0.689 175.906 176.600 -0.009 0.000 0.958 433 E CA -0.745 55.648 56.400 -0.011 0.000 0.821 433 E CB 0.978 30.668 29.700 -0.016 0.000 1.269 433 E HN 0.336 nan 8.360 nan 0.000 0.413 434 D N 0.745 121.140 120.400 -0.008 0.000 3.278 434 D HA -0.241 4.399 4.640 0.000 0.000 0.233 434 D C 0.040 176.337 176.300 -0.004 0.000 1.149 434 D CA 0.801 54.798 54.000 -0.006 0.000 0.957 434 D CB -0.531 40.265 40.800 -0.007 0.000 0.913 434 D HN 0.511 nan 8.370 nan 0.000 0.409 435 E N -0.044 120.154 120.200 -0.003 0.000 2.967 435 E HA 0.115 4.465 4.350 0.000 0.000 0.287 435 E C -0.656 175.944 176.600 0.000 0.000 1.132 435 E CA 1.190 57.590 56.400 -0.001 0.000 2.067 435 E CB 0.350 30.049 29.700 -0.001 0.000 2.121 435 E HN 0.513 nan 8.360 nan 0.000 1.046 436 T N 1.192 115.747 114.554 0.002 0.000 3.795 436 T HA 0.259 4.609 4.350 0.000 0.000 0.215 436 T C -1.146 173.559 174.700 0.007 0.000 0.588 436 T CA -0.470 61.632 62.100 0.004 0.000 1.174 436 T CB -0.730 68.141 68.868 0.006 0.000 1.136 436 T HN 0.296 nan 8.240 nan 0.000 0.538 437 I N 2.828 123.401 120.570 0.006 0.000 3.214 437 I HA -0.046 4.124 4.170 0.000 0.000 0.332 437 I C 0.928 177.056 176.117 0.018 0.000 1.225 437 I CA 0.752 62.057 61.300 0.009 0.000 1.453 437 I CB -0.575 37.429 38.000 0.007 0.000 1.321 437 I HN 0.706 nan 8.210 nan 0.000 0.518 438 D N 5.114 125.524 120.400 0.017 0.000 2.317 438 D HA 0.400 5.040 4.640 0.000 0.000 0.252 438 D C 1.116 177.434 176.300 0.031 0.000 1.174 438 D CA 0.099 54.114 54.000 0.025 0.000 0.866 438 D CB 1.354 42.164 40.800 0.017 0.000 1.127 438 D HN 0.603 nan 8.370 nan 0.000 0.467 439 A N 4.328 127.181 122.820 0.055 0.000 1.869 439 A HA -0.322 3.998 4.320 0.000 0.000 0.218 439 A C 1.937 179.531 177.584 0.017 0.000 1.203 439 A CA 2.222 54.303 52.037 0.072 0.000 0.638 439 A CB -0.967 18.123 19.000 0.151 0.000 0.831 439 A HN 0.877 nan 8.150 nan 0.000 0.450 440 E N -0.114 120.089 120.200 0.005 0.000 2.114 440 E HA -0.216 4.134 4.350 0.000 0.000 0.199 440 E C 1.743 178.327 176.600 -0.027 0.000 1.008 440 E CA 2.107 58.492 56.400 -0.026 0.000 0.810 440 E CB -0.656 29.034 29.700 -0.018 0.000 0.739 440 E HN 0.341 nan 8.360 nan 0.000 0.456 441 V N 1.141 121.048 119.914 -0.013 0.000 2.237 441 V HA -0.273 3.847 4.120 0.000 0.000 0.245 441 V C 2.625 178.709 176.094 -0.017 0.000 1.046 441 V CA 2.091 64.382 62.300 -0.015 0.000 1.007 441 V CB -0.529 31.289 31.823 -0.008 0.000 0.638 441 V HN 0.356 nan 8.190 nan 0.000 0.445 442 M N 0.400 119.995 119.600 -0.009 0.000 2.202 442 M HA -0.175 4.305 4.480 0.000 0.000 0.262 442 M C 2.072 178.361 176.300 -0.019 0.000 1.063 442 M CA 1.405 56.701 55.300 -0.007 0.000 1.097 442 M CB -1.859 30.748 32.600 0.012 0.000 1.382 442 M HN 0.536 nan 8.290 nan 0.000 0.413 443 N N 0.095 118.772 118.700 -0.039 0.000 2.216 443 N HA -0.113 4.627 4.740 0.000 0.000 0.183 443 N C 1.669 177.144 175.510 -0.059 0.000 1.017 443 N CA 1.733 54.739 53.050 -0.074 0.000 0.861 443 N CB 0.268 38.673 38.487 -0.137 0.000 0.986 443 N HN 0.440 nan 8.380 nan 0.000 0.428 444 S N 0.956 116.628 115.700 -0.046 0.000 2.371 444 S HA -0.040 4.430 4.470 0.000 0.000 0.224 444 S C 1.315 175.900 174.600 -0.026 0.000 1.029 444 S CA -0.108 58.070 58.200 -0.037 0.000 0.978 444 S CB -0.697 62.483 63.200 -0.033 0.000 0.833 444 S HN 0.332 nan 8.310 nan 0.000 0.466 445 L N 2.341 123.550 121.223 -0.024 0.000 2.578 445 L HA 0.326 4.666 4.340 0.000 0.000 0.279 445 L C -0.063 176.801 176.870 -0.010 0.000 1.227 445 L CA 0.048 54.876 54.840 -0.020 0.000 0.900 445 L CB 0.253 42.298 42.059 -0.024 0.000 1.144 445 L HN 0.479 nan 8.230 nan 0.000 0.496 446 A N 5.346 128.164 122.820 -0.003 0.000 2.356 446 A HA 0.618 4.938 4.320 0.000 0.000 0.310 446 A C -0.767 176.835 177.584 0.030 0.000 1.075 446 A CA -0.612 51.435 52.037 0.017 0.000 0.746 446 A CB 1.561 20.572 19.000 0.019 0.000 1.221 446 A HN 0.478 nan 8.150 nan 0.000 0.443 447 V N 2.615 122.566 119.914 0.062 0.000 2.555 447 V HA 0.446 4.566 4.120 0.000 0.000 0.286 447 V C 0.927 177.121 176.094 0.166 0.000 1.044 447 V CA 0.251 62.603 62.300 0.087 0.000 1.026 447 V CB 0.828 32.719 31.823 0.113 0.000 0.981 447 V HN 1.034 nan 8.190 nan 0.000 0.480 448 T N 1.924 116.569 114.554 0.150 0.000 2.952 448 T HA 0.453 4.803 4.350 0.000 0.000 0.286 448 T C 0.748 175.611 174.700 0.270 0.000 1.024 448 T CA -0.760 61.437 62.100 0.161 0.000 1.029 448 T CB 1.452 70.374 68.868 0.090 0.000 1.094 448 T HN 0.421 nan 8.240 nan 0.000 0.515 449 M N 0.721 120.436 119.600 0.192 0.000 2.267 449 M HA -0.044 4.436 4.480 0.000 0.000 0.263 449 M C 1.402 177.833 176.300 0.219 0.000 1.063 449 M CA 1.588 57.002 55.300 0.191 0.000 1.090 449 M CB -1.264 31.379 32.600 0.072 0.000 1.392 449 M HN 0.809 nan 8.290 nan 0.000 0.422 450 D N -0.042 120.455 120.400 0.162 0.000 2.144 450 D HA -0.154 4.486 4.640 0.000 0.000 0.200 450 D C 1.439 177.845 176.300 0.175 0.000 0.978 450 D CA 1.319 55.404 54.000 0.142 0.000 0.833 450 D CB -0.058 40.799 40.800 0.094 0.000 0.961 450 D HN 0.424 nan 8.370 nan 0.000 0.470 451 D N -0.885 119.606 120.400 0.152 0.000 2.178 451 D HA -0.119 4.521 4.640 0.000 0.000 0.202 451 D C 1.703 178.056 176.300 0.089 0.000 0.974 451 D CA 0.593 54.633 54.000 0.068 0.000 0.841 451 D CB -0.182 40.582 40.800 -0.060 0.000 0.953 451 D HN 0.312 nan 8.370 nan 0.000 0.478 452 F N 0.694 120.713 119.950 0.114 0.000 2.367 452 F HA -0.017 4.510 4.527 0.000 0.000 0.298 452 F C 2.380 178.249 175.800 0.115 0.000 1.094 452 F CA 0.267 58.333 58.000 0.109 0.000 1.409 452 F CB -0.001 39.035 39.000 0.060 0.000 1.064 452 F HN -0.182 nan 8.300 nan 0.000 0.528 453 R N -0.127 120.544 120.500 0.286 0.000 2.066 453 R HA -0.221 4.119 4.340 0.000 0.000 0.232 453 R C 2.026 178.427 176.300 0.168 0.000 1.131 453 R CA 1.722 57.934 56.100 0.185 0.000 0.955 453 R CB -1.446 28.945 30.300 0.151 0.000 0.851 453 R HN 0.434 nan 8.270 nan 0.000 0.432 454 W N 0.576 121.893 121.300 0.028 0.000 2.338 454 W HA -0.147 4.513 4.660 -0.000 0.000 0.304 454 W C 1.883 178.399 176.519 -0.005 0.000 1.212 454 W CA 2.452 59.799 57.345 0.003 0.000 1.264 454 W CB -0.377 29.075 29.460 -0.014 0.000 1.142 454 W HN 0.212 nan 8.180 nan 0.000 0.512 455 A N 0.117 123.144 122.820 0.345 0.000 1.929 455 A HA -0.118 4.202 4.320 0.000 0.000 0.216 455 A C 1.937 179.503 177.584 -0.029 0.000 1.176 455 A CA 1.467 53.602 52.037 0.162 0.000 0.628 455 A CB -1.048 18.073 19.000 0.202 0.000 0.816 455 A HN 0.368 nan 8.150 nan 0.000 0.444 456 L N 0.074 121.310 121.223 0.022 0.000 2.549 456 L HA -0.105 4.235 4.340 0.000 0.000 0.230 456 L C 2.376 179.197 176.870 -0.082 0.000 1.162 456 L CA 0.692 55.527 54.840 -0.008 0.000 0.834 456 L CB -0.368 41.713 42.059 0.036 0.000 0.947 456 L HN 0.270 nan 8.230 nan 0.000 0.452 457 S N -0.651 114.929 115.700 -0.200 0.000 2.442 457 S HA -0.169 4.301 4.470 0.000 0.000 0.236 457 S C 1.924 176.405 174.600 -0.197 0.000 1.007 457 S CA 1.169 59.231 58.200 -0.231 0.000 0.965 457 S CB -0.006 63.025 63.200 -0.282 0.000 0.773 457 S HN 0.522 nan 8.310 nan 0.000 0.504 458 Q N -0.175 119.504 119.800 -0.201 0.000 2.396 458 Q HA 0.242 4.582 4.340 0.000 0.000 0.220 458 Q C -0.238 175.721 176.000 -0.068 0.000 0.900 458 Q CA 0.001 55.719 55.803 -0.141 0.000 0.925 458 Q CB 0.493 29.129 28.738 -0.170 0.000 1.065 458 Q HN 0.343 nan 8.270 nan 0.000 0.535 459 S N 1.296 116.982 115.700 -0.023 0.000 3.441 459 S HA -0.154 4.316 4.470 0.000 0.000 0.856 459 S C 0.331 174.928 174.600 -0.006 0.000 1.189 459 S CA 1.009 59.227 58.200 0.030 0.000 0.923 459 S CB -0.443 62.773 63.200 0.026 0.000 0.627 459 S HN 0.805 nan 8.310 nan 0.000 0.276 460 N N -0.101 118.588 118.700 -0.019 0.000 1.963 460 N HA 0.068 4.808 4.740 0.000 0.000 0.244 460 N C -2.754 172.698 175.510 -0.097 0.000 1.288 460 N CA -0.237 52.781 53.050 -0.053 0.000 0.800 460 N CB -0.353 38.108 38.487 -0.044 0.000 1.293 460 N HN 0.534 nan 8.380 nan 0.000 0.483 461 P HA 0.203 nan 4.420 nan 0.000 0.280 461 P C -0.175 177.036 177.300 -0.148 0.000 1.300 461 P CA 0.165 63.132 63.100 -0.222 0.000 0.785 461 P CB 1.033 32.453 31.700 -0.467 0.000 0.874 462 S N 1.673 117.320 115.700 -0.090 0.000 2.945 462 S HA 0.455 4.925 4.470 0.000 0.000 0.227 462 S C 0.672 175.246 174.600 -0.044 0.000 1.353 462 S CA -0.759 57.407 58.200 -0.057 0.000 1.236 462 S CB -0.539 62.635 63.200 -0.043 0.000 1.069 462 S HN 0.611 nan 8.310 nan 0.000 0.509 463 A N 1.592 124.383 122.820 -0.049 0.000 2.540 463 A HA 0.418 4.738 4.320 0.000 0.000 0.239 463 A C 0.327 177.908 177.584 -0.006 0.000 1.061 463 A CA -0.297 51.725 52.037 -0.026 0.000 0.758 463 A CB -0.275 18.715 19.000 -0.018 0.000 0.991 463 A HN 0.693 nan 8.150 nan 0.000 0.502 464 L N 2.739 123.959 121.223 -0.005 0.000 2.384 464 L HA 0.540 4.880 4.340 0.000 0.000 0.258 464 L C 0.957 177.833 176.870 0.011 0.000 1.266 464 L CA 1.367 56.207 54.840 0.000 0.000 1.162 464 L CB -1.221 40.834 42.059 -0.006 0.000 1.375 464 L HN 0.995 nan 8.230 nan 0.000 0.420 465 R N -0.097 120.417 120.500 0.024 0.000 3.033 465 R HA 0.706 5.046 4.340 0.000 0.000 0.284 465 R C -0.404 175.935 176.300 0.064 0.000 0.997 465 R CA -0.323 55.798 56.100 0.035 0.000 0.851 465 R CB -0.049 30.270 30.300 0.031 0.000 1.297 465 R HN 0.266 nan 8.270 nan 0.000 0.518 466 E N -0.145 120.095 120.200 0.067 0.000 2.392 466 E HA 0.631 4.981 4.350 0.000 0.000 0.256 466 E C 0.995 177.654 176.600 0.098 0.000 1.145 466 E CA 0.233 56.695 56.400 0.105 0.000 0.929 466 E CB 0.736 30.478 29.700 0.069 0.000 0.998 466 E HN 2.079 nan 8.360 nan 0.000 0.442 467 T N -0.748 113.867 114.554 0.102 0.000 3.278 467 T HA 0.591 4.941 4.350 0.000 0.000 0.246 467 T C -0.053 174.442 174.700 -0.341 0.000 1.281 467 T CA 0.377 62.413 62.100 -0.106 0.000 1.281 467 T CB -1.158 67.757 68.868 0.078 0.000 1.064 467 T HN 1.738 nan 8.240 nan 0.000 0.628 468 V N 0.259 120.083 119.914 -0.150 0.000 2.789 468 V HA 0.843 4.963 4.120 0.000 0.000 0.300 468 V C 0.175 176.234 176.094 -0.059 0.000 1.184 468 V CA -1.028 61.194 62.300 -0.128 0.000 0.930 468 V CB 0.707 32.455 31.823 -0.125 0.000 1.041 468 V HN 0.783 nan 8.190 nan 0.000 0.430 469 V N 2.657 122.542 119.914 -0.048 0.000 3.546 469 V HA 0.733 4.853 4.120 0.000 0.000 0.296 469 V C 1.033 177.114 176.094 -0.021 0.000 1.082 469 V CA 0.279 62.563 62.300 -0.026 0.000 1.086 469 V CB 0.367 32.177 31.823 -0.022 0.000 1.174 469 V HN 2.052 nan 8.190 nan 0.000 0.464 470 E N 0.705 120.898 120.200 -0.012 0.000 2.406 470 E HA 0.493 4.844 4.350 0.000 0.000 0.247 470 E C -0.127 176.466 176.600 -0.011 0.000 1.160 470 E CA 0.791 57.185 56.400 -0.009 0.000 0.950 470 E CB -0.635 29.062 29.700 -0.005 0.000 0.993 470 E HN 2.164 nan 8.360 nan 0.000 0.472 471 V N 2.171 122.079 119.914 -0.011 0.000 5.548 471 V HA 0.967 5.087 4.120 0.000 0.000 0.276 471 V C -0.183 175.907 176.094 -0.007 0.000 1.512 471 V CA 0.132 62.425 62.300 -0.012 0.000 0.718 471 V CB 0.121 31.934 31.823 -0.016 0.000 1.393 471 V HN 0.904 nan 8.190 nan 0.000 0.415 472 P HA 0.798 nan 4.420 nan 0.000 0.346 472 P C 0.024 177.323 177.300 -0.002 0.000 1.303 472 P CA 2.052 65.150 63.100 -0.004 0.000 0.801 472 P CB 1.256 32.954 31.700 -0.004 0.000 1.827 473 Q N -3.543 116.257 119.800 -0.000 0.000 1.549 473 Q HA 0.668 5.008 4.340 0.000 0.000 0.146 473 Q C 1.142 177.143 176.000 0.002 0.000 0.404 473 Q CA 1.288 57.092 55.803 0.001 0.000 0.710 473 Q CB -0.349 28.390 28.738 0.002 0.000 0.744 473 Q HN 2.405 nan 8.270 nan 0.000 0.160 474 V N -0.502 119.413 119.914 0.002 0.000 3.511 474 V HA 0.392 4.512 4.120 0.000 0.000 0.502 474 V C 0.675 176.771 176.094 0.003 0.000 0.682 474 V CA 2.587 64.888 62.300 0.002 0.000 2.051 474 V CB -2.025 29.799 31.823 0.001 0.000 2.482 474 V HN 2.566 nan 8.190 nan 0.000 0.508 475 T N 0.199 114.755 114.554 0.002 0.000 3.870 475 T HA 0.768 5.118 4.350 0.000 0.000 0.278 475 T C 0.960 175.661 174.700 0.002 0.000 0.880 475 T CA 1.940 64.041 62.100 0.003 0.000 1.182 475 T CB 0.292 69.162 68.868 0.003 0.000 1.010 475 T HN 2.742 nan 8.240 nan 0.000 0.424 476 W N 1.441 122.742 121.300 0.002 0.000 2.362 476 W HA 0.802 5.462 4.660 0.000 0.000 0.286 476 W C 0.084 176.604 176.519 0.002 0.000 1.036 476 W CA 0.603 57.949 57.345 0.002 0.000 1.236 476 W CB -0.470 28.992 29.460 0.002 0.000 1.142 476 W HN 0.871 nan 8.180 nan 0.000 0.317 477 E N 0.360 120.561 120.200 0.002 0.000 2.156 477 E HA 0.362 4.712 4.350 0.000 0.000 0.225 477 E C 1.000 177.601 176.600 0.001 0.000 0.906 477 E CA 0.766 57.167 56.400 0.001 0.000 0.988 477 E CB -1.037 28.664 29.700 0.001 0.000 1.151 477 E HN 1.508 nan 8.360 nan 0.000 0.504 478 D N -0.687 119.714 120.400 0.001 0.000 2.342 478 D HA 0.516 5.156 4.640 0.000 0.000 0.260 478 D C -0.216 176.085 176.300 0.001 0.000 1.278 478 D CA 0.519 54.520 54.000 0.001 0.000 0.910 478 D CB -0.414 40.386 40.800 0.001 0.000 1.079 478 D HN 1.427 nan 8.370 nan 0.000 0.496 479 I N 0.642 121.212 120.570 0.001 0.000 2.586 479 I HA 0.800 4.970 4.170 0.000 0.000 0.281 479 I C 1.015 177.132 176.117 0.001 0.000 1.145 479 I CA -0.026 61.274 61.300 0.001 0.000 1.073 479 I CB 0.917 38.918 38.000 0.001 0.000 1.238 479 I HN 1.842 nan 8.210 nan 0.000 0.461 480 G N 3.221 112.022 108.800 0.001 0.000 2.692 480 G HA2 0.384 4.344 3.960 0.000 0.000 0.248 480 G HA3 0.384 4.344 3.960 0.000 0.000 0.248 480 G C 0.516 175.416 174.900 0.001 0.000 1.340 480 G CA 0.130 45.230 45.100 0.001 0.000 0.896 480 G HN 2.667 nan 8.290 nan 0.000 0.570 481 G N -2.340 106.461 108.800 0.001 0.000 2.488 481 G HA2 0.916 4.876 3.960 0.000 0.000 0.318 481 G HA3 0.916 4.876 3.960 0.000 0.000 0.318 481 G C 0.507 175.407 174.900 0.001 0.000 1.188 481 G CA 1.266 46.366 45.100 0.001 0.000 0.944 481 G HN 2.792 nan 8.290 nan 0.000 0.495 482 L N -1.784 119.439 121.223 0.001 0.000 0.616 482 L HA 0.444 4.784 4.340 0.000 0.000 0.357 482 L C 0.884 177.755 176.870 0.001 0.000 1.004 482 L CA 1.024 55.865 54.840 0.001 0.000 1.223 482 L CB -1.893 40.166 42.059 0.001 0.000 0.132 482 L HN 3.126 nan 8.230 nan 0.000 0.117 483 E N -0.520 119.680 120.200 0.001 0.000 2.613 483 E HA 0.476 4.826 4.350 0.000 0.000 0.161 483 E C 1.000 177.601 176.600 0.001 0.000 1.664 483 E CA 2.217 58.617 56.400 0.001 0.000 0.661 483 E CB -2.362 27.338 29.700 0.001 0.000 1.098 483 E HN 3.216 nan 8.360 nan 0.000 0.364 484 D N -0.986 119.415 120.400 0.001 0.000 2.398 484 D HA 0.901 5.541 4.640 0.000 0.000 0.247 484 D C 1.218 177.519 176.300 0.001 0.000 1.227 484 D CA 0.334 54.335 54.000 0.001 0.000 0.980 484 D CB 1.110 41.911 40.800 0.001 0.000 1.106 484 D HN 2.028 nan 8.370 nan 0.000 0.493 485 V N -0.639 119.275 119.914 0.001 0.000 2.405 485 V HA 0.622 4.742 4.120 0.000 0.000 0.264 485 V C 0.813 176.908 176.094 0.001 0.000 1.048 485 V CA 0.234 62.535 62.300 0.001 0.000 0.966 485 V CB -0.177 31.647 31.823 0.001 0.000 1.015 485 V HN 1.020 nan 8.190 nan 0.000 0.477 486 K N 4.336 124.737 120.400 0.002 0.000 2.432 486 K HA 0.649 4.969 4.320 0.000 0.000 0.226 486 K C 0.848 177.449 176.600 0.002 0.000 1.057 486 K CA -0.086 56.202 56.287 0.002 0.000 1.034 486 K CB 0.139 32.640 32.500 0.002 0.000 1.561 486 K HN 1.807 nan 8.250 nan 0.000 0.492 487 R N 0.915 121.416 120.500 0.002 0.000 3.624 487 R HA 0.097 4.437 4.340 0.000 0.000 0.210 487 R C 1.627 177.928 176.300 0.002 0.000 2.183 487 R CA 1.727 57.828 56.100 0.002 0.000 1.787 487 R CB -2.101 28.200 30.300 0.002 0.000 0.958 487 R HN 1.076 nan 8.270 nan 0.000 0.576 488 E N -0.224 119.977 120.200 0.002 0.000 2.047 488 E HA 0.088 4.438 4.350 0.000 0.000 0.191 488 E C 2.716 179.318 176.600 0.002 0.000 0.987 488 E CA 1.704 58.106 56.400 0.002 0.000 0.799 488 E CB -0.764 28.937 29.700 0.002 0.000 0.752 488 E HN 1.153 nan 8.360 nan 0.000 0.449 489 L N 0.150 121.374 121.223 0.002 0.000 2.201 489 L HA 0.186 4.526 4.340 0.000 0.000 0.212 489 L C 2.899 179.771 176.870 0.003 0.000 1.105 489 L CA 2.848 57.689 54.840 0.003 0.000 0.775 489 L CB -2.098 39.963 42.059 0.003 0.000 0.913 489 L HN 0.733 nan 8.230 nan 0.000 0.440 490 Q N -0.275 119.527 119.800 0.003 0.000 2.046 490 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 490 Q C 2.223 178.225 176.000 0.003 0.000 0.975 490 Q CA 2.754 58.558 55.803 0.003 0.000 0.836 490 Q CB -1.296 27.443 28.738 0.002 0.000 0.896 490 Q HN 1.027 nan 8.270 nan 0.000 0.428 491 E N 0.102 120.304 120.200 0.003 0.000 2.274 491 E HA 0.251 4.601 4.350 0.000 0.000 0.194 491 E C 2.346 178.948 176.600 0.003 0.000 0.996 491 E CA 1.697 58.099 56.400 0.003 0.000 0.840 491 E CB -1.254 28.447 29.700 0.002 0.000 0.772 491 E HN 1.173 nan 8.360 nan 0.000 0.491 492 L N -0.048 121.177 121.223 0.003 0.000 2.056 492 L HA 0.522 4.862 4.340 0.000 0.000 0.207 492 L C 2.957 179.829 176.870 0.004 0.000 1.078 492 L CA 2.268 57.110 54.840 0.003 0.000 0.749 492 L CB -1.208 40.853 42.059 0.003 0.000 0.901 492 L HN 0.798 nan 8.230 nan 0.000 0.433 493 V N -1.486 118.430 119.914 0.004 0.000 3.514 493 V HA 0.401 4.521 4.120 0.000 0.000 0.301 493 V C 2.198 178.294 176.094 0.004 0.000 1.346 493 V CA 1.595 63.898 62.300 0.004 0.000 1.156 493 V CB -0.828 30.998 31.823 0.004 0.000 1.029 493 V HN 0.753 nan 8.190 nan 0.000 0.428 494 Q N -1.210 118.593 119.800 0.004 0.000 2.020 494 Q HA -0.151 4.189 4.340 0.000 0.000 0.198 494 Q C 2.160 178.162 176.000 0.004 0.000 0.974 494 Q CA 2.471 58.276 55.803 0.003 0.000 0.829 494 Q CB -1.142 27.598 28.738 0.003 0.000 0.894 494 Q HN 1.535 nan 8.270 nan 0.000 0.433 495 Y N -1.056 119.246 120.300 0.004 0.000 2.286 495 Y HA 0.306 4.856 4.550 0.000 0.000 0.293 495 Y C 1.120 177.023 175.900 0.005 0.000 1.124 495 Y CA 1.620 59.723 58.100 0.004 0.000 1.178 495 Y CB -1.428 37.034 38.460 0.004 0.000 1.010 495 Y HN 0.544 nan 8.280 nan 0.000 0.536 496 P HA 0.152 nan 4.420 nan 0.000 0.217 496 P C 1.724 179.028 177.300 0.006 0.000 1.154 496 P CA 2.824 65.928 63.100 0.006 0.000 0.841 496 P CB -0.266 31.437 31.700 0.006 0.000 0.788 497 V N -0.867 119.050 119.914 0.006 0.000 2.599 497 V HA 0.181 4.301 4.120 0.000 0.000 0.245 497 V C 2.419 178.516 176.094 0.005 0.000 1.046 497 V CA 2.608 64.911 62.300 0.006 0.000 1.065 497 V CB -1.164 30.662 31.823 0.005 0.000 0.703 497 V HN 0.364 nan 8.190 nan 0.000 0.464 498 E N -0.207 119.996 120.200 0.005 0.000 2.190 498 E HA 0.143 4.493 4.350 0.000 0.000 0.191 498 E C 1.424 178.027 176.600 0.004 0.000 0.978 498 E CA 1.039 57.441 56.400 0.004 0.000 0.839 498 E CB -0.651 29.052 29.700 0.004 0.000 0.787 498 E HN 1.504 nan 8.360 nan 0.000 0.473 499 H N -1.741 117.332 119.070 0.005 0.000 2.423 499 H HA 0.722 5.278 4.556 0.000 0.000 0.237 499 H C -0.882 174.450 175.328 0.006 0.000 1.391 499 H CA -0.446 55.605 56.048 0.005 0.000 1.453 499 H CB 0.571 30.336 29.762 0.004 0.000 1.484 499 H HN 0.359 nan 8.280 nan 0.000 0.505 500 P HA -0.072 nan 4.420 nan 0.000 0.219 500 P C 1.355 178.660 177.300 0.008 0.000 1.150 500 P CA 2.104 65.209 63.100 0.008 0.000 0.814 500 P CB -0.223 31.482 31.700 0.009 0.000 0.787 501 D N -0.881 119.524 120.400 0.007 0.000 2.264 501 D HA -0.013 4.627 4.640 0.000 0.000 0.208 501 D C 2.185 178.489 176.300 0.007 0.000 0.966 501 D CA 2.063 56.068 54.000 0.007 0.000 0.864 501 D CB -0.977 39.827 40.800 0.007 0.000 0.933 501 D HN 0.531 nan 8.370 nan 0.000 0.499 502 K N -0.886 119.518 120.400 0.006 0.000 2.057 502 K HA 0.210 4.530 4.320 0.000 0.000 0.207 502 K C 2.392 178.996 176.600 0.006 0.000 1.049 502 K CA 1.889 58.180 56.287 0.006 0.000 0.931 502 K CB -1.816 30.687 32.500 0.005 0.000 0.714 502 K HN 1.060 nan 8.250 nan 0.000 0.440 503 F N 1.043 120.997 119.950 0.007 0.000 2.325 503 F HA 0.343 4.870 4.527 0.000 0.000 0.299 503 F C 3.040 178.845 175.800 0.008 0.000 1.090 503 F CA 1.692 59.697 58.000 0.007 0.000 1.392 503 F CB -1.262 37.743 39.000 0.008 0.000 1.053 503 F HN 0.400 nan 8.300 nan 0.000 0.521 504 L N 0.452 121.680 121.223 0.009 0.000 2.093 504 L HA 0.180 4.520 4.340 0.000 0.000 0.208 504 L C 2.428 179.303 176.870 0.008 0.000 1.085 504 L CA 2.637 57.483 54.840 0.009 0.000 0.755 504 L CB -2.235 39.830 42.059 0.010 0.000 0.904 504 L HN 0.666 nan 8.230 nan 0.000 0.435 505 K N -1.395 119.010 120.400 0.007 0.000 2.379 505 K HA 0.588 4.908 4.320 0.000 0.000 0.194 505 K C 0.996 177.600 176.600 0.006 0.000 1.031 505 K CA 0.815 57.106 56.287 0.006 0.000 1.037 505 K CB -1.248 31.255 32.500 0.006 0.000 0.824 505 K HN 1.375 nan 8.250 nan 0.000 0.516 506 F N -0.961 118.992 119.950 0.006 0.000 2.509 506 F HA 0.648 5.175 4.527 0.000 0.000 0.334 506 F C 1.481 177.284 175.800 0.006 0.000 1.060 506 F CA -1.034 56.969 58.000 0.006 0.000 0.997 506 F CB 1.431 40.434 39.000 0.005 0.000 1.271 506 F HN 0.069 nan 8.300 nan 0.000 0.488 507 G N -1.087 107.716 108.800 0.006 0.000 3.228 507 G HA2 0.548 4.508 3.960 0.000 0.000 0.245 507 G HA3 0.548 4.508 3.960 0.000 0.000 0.245 507 G C 0.498 175.401 174.900 0.006 0.000 1.051 507 G CA 0.926 46.029 45.100 0.006 0.000 0.809 507 G HN 1.665 nan 8.290 nan 0.000 0.531 508 M N 0.526 120.129 119.600 0.005 0.000 2.250 508 M HA 0.801 5.281 4.480 0.000 0.000 0.344 508 M C 0.515 176.818 176.300 0.006 0.000 1.150 508 M CA 0.252 55.556 55.300 0.005 0.000 1.147 508 M CB -0.611 31.992 32.600 0.005 0.000 1.498 508 M HN 0.359 nan 8.290 nan 0.000 0.461 509 T N 2.447 117.004 114.554 0.005 0.000 2.749 509 T HA 0.719 5.069 4.350 0.000 0.000 0.287 509 T C -0.723 173.981 174.700 0.005 0.000 0.970 509 T CA -0.698 61.406 62.100 0.006 0.000 0.980 509 T CB -0.671 68.201 68.868 0.006 0.000 0.924 509 T HN 1.343 nan 8.240 nan 0.000 0.456 510 P HA 0.857 nan 4.420 nan 0.000 0.279 510 P C 0.443 177.746 177.300 0.005 0.000 1.276 510 P CA 0.164 63.267 63.100 0.005 0.000 0.801 510 P CB 0.228 31.932 31.700 0.006 0.000 1.127 511 S N -0.339 115.364 115.700 0.005 0.000 2.481 511 S HA 0.460 4.930 4.470 0.000 0.000 0.282 511 S C 1.455 176.058 174.600 0.005 0.000 1.243 511 S CA 0.584 58.786 58.200 0.005 0.000 1.078 511 S CB -0.312 62.890 63.200 0.004 0.000 0.916 511 S HN 0.966 nan 8.310 nan 0.000 0.495 512 K N 2.426 122.829 120.400 0.005 0.000 2.076 512 K HA 0.440 4.760 4.320 0.000 0.000 0.204 512 K C 1.024 177.627 176.600 0.005 0.000 1.051 512 K CA 1.182 57.472 56.287 0.005 0.000 0.949 512 K CB -0.386 32.117 32.500 0.006 0.000 0.726 512 K HN 1.527 nan 8.250 nan 0.000 0.443 513 G N -1.877 106.926 108.800 0.004 0.000 2.719 513 G HA2 0.584 4.544 3.960 0.000 0.000 0.298 513 G HA3 0.584 4.544 3.960 0.000 0.000 0.298 513 G C -1.321 173.582 174.900 0.003 0.000 1.411 513 G CA 0.179 45.281 45.100 0.004 0.000 0.991 513 G HN 0.956 nan 8.290 nan 0.000 0.509 514 V N 0.790 120.706 119.914 0.003 0.000 2.326 514 V HA 0.847 4.967 4.120 0.000 0.000 0.281 514 V C 0.672 176.767 176.094 0.003 0.000 1.015 514 V CA -0.723 61.578 62.300 0.003 0.000 0.823 514 V CB 0.721 32.545 31.823 0.003 0.000 1.009 514 V HN 1.478 nan 8.190 nan 0.000 0.436 515 L N 2.742 123.966 121.223 0.002 0.000 2.436 515 L HA 0.910 5.250 4.340 0.000 0.000 0.265 515 L C 0.256 177.127 176.870 0.002 0.000 1.168 515 L CA 0.064 54.906 54.840 0.002 0.000 0.815 515 L CB 0.460 42.520 42.059 0.002 0.000 1.109 515 L HN 1.976 nan 8.230 nan 0.000 0.462 516 F N 1.127 121.078 119.950 0.002 0.000 2.691 516 F HA 0.632 5.159 4.527 0.000 0.000 0.371 516 F C 0.052 175.853 175.800 0.002 0.000 1.159 516 F CA -1.151 56.850 58.000 0.002 0.000 1.174 516 F CB -0.811 38.190 39.000 0.002 0.000 1.419 516 F HN 1.677 nan 8.300 nan 0.000 0.514 517 Y N 1.031 121.331 120.300 0.001 0.000 2.359 517 Y HA 0.708 5.258 4.550 0.000 0.000 0.330 517 Y C 0.603 176.503 175.900 0.001 0.000 1.143 517 Y CA -1.115 56.986 58.100 0.001 0.000 1.318 517 Y CB 1.214 39.675 38.460 0.001 0.000 1.234 517 Y HN 2.243 nan 8.280 nan 0.000 0.522 518 G N 1.944 110.745 108.800 0.001 0.000 2.402 518 G HA2 0.596 4.556 3.960 0.000 0.000 0.301 518 G HA3 0.596 4.556 3.960 0.000 0.000 0.301 518 G C -2.470 172.430 174.900 0.001 0.000 1.615 518 G CA -0.064 45.036 45.100 0.001 0.000 0.889 518 G HN 1.135 nan 8.290 nan 0.000 0.647 519 P HA 0.859 nan 4.420 nan 0.000 0.273 519 P C -1.535 175.765 177.300 0.001 0.000 1.250 519 P CA 0.470 63.570 63.100 0.001 0.000 0.793 519 P CB -0.255 31.446 31.700 0.000 0.000 1.011 520 P HA 0.419 nan 4.420 nan 0.000 0.269 520 P C 0.881 178.181 177.300 0.001 0.000 1.209 520 P CA 1.059 64.160 63.100 0.001 0.000 0.776 520 P CB -0.291 31.409 31.700 0.000 0.000 0.876 521 G N 0.012 108.812 108.800 0.001 0.000 2.295 521 G HA2 -0.043 3.917 3.960 0.000 0.000 0.287 521 G HA3 -0.043 3.917 3.960 0.000 0.000 0.287 521 G C 0.723 175.624 174.900 0.002 0.000 1.055 521 G CA 0.526 45.627 45.100 0.002 0.000 0.922 521 G HN 1.273 nan 8.290 nan 0.000 0.503 522 C N 0.237 119.539 119.300 0.002 0.000 2.884 522 C HA 0.792 5.252 4.460 0.000 0.000 0.287 522 C C 2.149 177.140 174.990 0.002 0.000 1.310 522 C CA 1.024 60.043 59.018 0.002 0.000 1.725 522 C CB -0.705 27.036 27.740 0.002 0.000 2.060 522 C HN 2.400 nan 8.230 nan 0.000 0.618 523 G N 0.110 108.912 108.800 0.002 0.000 2.295 523 G HA2 0.105 4.065 3.960 0.000 0.000 0.287 523 G HA3 0.105 4.065 3.960 0.000 0.000 0.287 523 G C 0.839 175.741 174.900 0.003 0.000 1.055 523 G CA 1.168 46.270 45.100 0.003 0.000 0.922 523 G HN 1.361 nan 8.290 nan 0.000 0.503 524 K N -1.561 118.841 120.400 0.003 0.000 2.098 524 K HA 0.434 4.754 4.320 0.000 0.000 0.203 524 K C 2.770 179.372 176.600 0.003 0.000 1.051 524 K CA 2.045 58.333 56.287 0.003 0.000 0.957 524 K CB -1.271 31.231 32.500 0.002 0.000 0.738 524 K HN 1.417 nan 8.250 nan 0.000 0.447 525 T N 0.347 114.903 114.554 0.004 0.000 2.904 525 T HA 0.331 4.681 4.350 0.000 0.000 0.267 525 T C 2.431 177.134 174.700 0.005 0.000 1.059 525 T CA 2.444 64.546 62.100 0.004 0.000 1.137 525 T CB -0.721 68.150 68.868 0.005 0.000 0.879 525 T HN 0.647 nan 8.240 nan 0.000 0.467 526 L N 0.588 121.814 121.223 0.005 0.000 2.217 526 L HA 0.599 4.939 4.340 0.000 0.000 0.211 526 L C 3.231 180.103 176.870 0.004 0.000 1.107 526 L CA 1.901 56.744 54.840 0.005 0.000 0.783 526 L CB -1.880 40.182 42.059 0.005 0.000 0.919 526 L HN 0.697 nan 8.230 nan 0.000 0.442 527 L N -1.648 119.577 121.223 0.004 0.000 2.131 527 L HA 0.492 4.832 4.340 0.000 0.000 0.206 527 L C 2.895 179.768 176.870 0.004 0.000 1.087 527 L CA 2.166 57.008 54.840 0.003 0.000 0.767 527 L CB -1.722 40.339 42.059 0.003 0.000 0.917 527 L HN 0.715 nan 8.230 nan 0.000 0.441 528 A N 0.038 122.860 122.820 0.004 0.000 1.929 528 A HA 0.092 4.412 4.320 0.000 0.000 0.216 528 A C 2.641 180.227 177.584 0.004 0.000 1.176 528 A CA 2.027 54.066 52.037 0.004 0.000 0.628 528 A CB -0.683 18.319 19.000 0.004 0.000 0.816 528 A HN 0.780 nan 8.150 nan 0.000 0.444 529 K N -0.516 119.886 120.400 0.005 0.000 2.296 529 K HA 0.404 4.724 4.320 0.000 0.000 0.200 529 K C 2.130 178.732 176.600 0.004 0.000 1.048 529 K CA 1.490 57.780 56.287 0.005 0.000 0.966 529 K CB -0.994 31.510 32.500 0.006 0.000 0.754 529 K HN 0.764 nan 8.250 nan 0.000 0.466 530 A N 0.738 123.560 122.820 0.004 0.000 1.975 530 A HA 0.329 4.649 4.320 0.000 0.000 0.215 530 A C 2.660 180.245 177.584 0.003 0.000 1.170 530 A CA 1.458 53.496 52.037 0.003 0.000 0.656 530 A CB -0.541 18.461 19.000 0.003 0.000 0.821 530 A HN 0.915 nan 8.150 nan 0.000 0.449 531 I N -1.106 119.466 120.570 0.003 0.000 2.546 531 I HA 0.286 4.456 4.170 0.000 0.000 0.255 531 I C 2.634 178.753 176.117 0.003 0.000 1.163 531 I CA 1.932 63.233 61.300 0.003 0.000 1.457 531 I CB -1.665 36.337 38.000 0.003 0.000 1.092 531 I HN 0.496 nan 8.210 nan 0.000 0.434 532 A N 0.932 123.754 122.820 0.004 0.000 1.874 532 A HA -0.057 4.263 4.320 0.000 0.000 0.214 532 A C 2.342 179.928 177.584 0.003 0.000 1.189 532 A CA 1.960 53.999 52.037 0.004 0.000 0.615 532 A CB -1.500 17.502 19.000 0.004 0.000 0.830 532 A HN 0.943 nan 8.150 nan 0.000 0.443 533 N N -0.540 118.162 118.700 0.003 0.000 2.188 533 N HA 0.006 4.746 4.740 0.000 0.000 0.184 533 N C 1.911 177.422 175.510 0.001 0.000 1.018 533 N CA 2.240 55.291 53.050 0.001 0.000 0.858 533 N CB -0.863 37.624 38.487 0.001 0.000 0.989 533 N HN 0.785 nan 8.380 nan 0.000 0.426 534 E N -0.786 119.414 120.200 0.002 0.000 2.152 534 E HA 0.189 4.539 4.350 0.000 0.000 0.192 534 E C 2.195 178.796 176.600 0.002 0.000 0.983 534 E CA 1.279 57.680 56.400 0.001 0.000 0.818 534 E CB -1.443 28.258 29.700 0.002 0.000 0.758 534 E HN 1.081 nan 8.360 nan 0.000 0.467 535 C N -0.648 118.653 119.300 0.002 0.000 2.754 535 C HA 0.660 5.120 4.460 0.000 0.000 0.276 535 C C 2.148 177.140 174.990 0.003 0.000 1.264 535 C CA 2.005 61.024 59.018 0.003 0.000 1.700 535 C CB -0.766 26.976 27.740 0.003 0.000 1.885 535 C HN 1.192 nan 8.230 nan 0.000 0.607 536 Q N -1.685 118.117 119.800 0.002 0.000 2.416 536 Q HA 0.065 4.405 4.340 0.000 0.000 0.235 536 Q C 0.562 176.564 176.000 0.003 0.000 0.773 536 Q CA 1.926 57.730 55.803 0.002 0.000 1.286 536 Q CB -2.636 26.103 28.738 0.002 0.000 1.556 536 Q HN 2.664 nan 8.270 nan 0.000 0.650 537 A N -0.234 122.588 122.820 0.004 0.000 2.371 537 A HA 0.718 5.038 4.320 0.000 0.000 0.257 537 A C 0.626 178.213 177.584 0.005 0.000 1.089 537 A CA 0.819 52.859 52.037 0.005 0.000 0.794 537 A CB -0.174 18.829 19.000 0.005 0.000 1.029 537 A HN 2.131 nan 8.150 nan 0.000 0.488 538 N N -1.252 117.452 118.700 0.007 0.000 2.482 538 N HA 0.541 5.281 4.740 0.000 0.000 0.260 538 N C -0.396 175.118 175.510 0.007 0.000 1.236 538 N CA 0.429 53.483 53.050 0.008 0.000 0.938 538 N CB 0.228 38.721 38.487 0.010 0.000 1.128 538 N HN 1.695 nan 8.380 nan 0.000 0.448 539 F N -1.383 118.571 119.950 0.008 0.000 2.532 539 F HA 0.856 5.383 4.527 0.000 0.000 0.321 539 F C 0.295 176.100 175.800 0.008 0.000 1.089 539 F CA -0.707 57.297 58.000 0.007 0.000 0.926 539 F CB 0.477 39.481 39.000 0.007 0.000 1.168 539 F HN 1.288 nan 8.300 nan 0.000 0.459 540 I N 1.671 122.246 120.570 0.007 0.000 2.595 540 I HA 0.773 4.943 4.170 0.000 0.000 0.276 540 I C 0.127 176.248 176.117 0.005 0.000 1.109 540 I CA -0.680 60.624 61.300 0.007 0.000 1.084 540 I CB 0.583 38.586 38.000 0.006 0.000 1.206 540 I HN 1.952 nan 8.210 nan 0.000 0.486 541 S N 3.406 119.109 115.700 0.006 0.000 2.422 541 S HA 0.859 5.329 4.470 0.000 0.000 0.283 541 S C 0.257 174.859 174.600 0.003 0.000 1.163 541 S CA 0.379 58.582 58.200 0.006 0.000 1.054 541 S CB -0.117 63.088 63.200 0.008 0.000 0.967 541 S HN 2.344 nan 8.310 nan 0.000 0.499 542 I N 0.807 121.378 120.570 0.002 0.000 2.499 542 I HA 0.948 5.118 4.170 0.000 0.000 0.296 542 I C 0.289 176.406 176.117 -0.000 0.000 0.992 542 I CA -0.734 60.566 61.300 -0.001 0.000 1.297 542 I CB 0.306 38.305 38.000 -0.002 0.000 1.410 542 I HN 1.004 nan 8.210 nan 0.000 0.507 543 K N 2.957 123.356 120.400 -0.002 0.000 2.316 543 K HA 0.770 5.090 4.320 0.000 0.000 0.251 543 K C 0.986 177.584 176.600 -0.003 0.000 0.934 543 K CA -0.078 56.208 56.287 -0.002 0.000 0.802 543 K CB 1.261 33.761 32.500 -0.001 0.000 1.171 543 K HN 2.004 nan 8.250 nan 0.000 0.426 544 G N 0.712 109.510 108.800 -0.003 0.000 2.408 544 G HA2 0.071 4.031 3.960 0.000 0.000 0.215 544 G HA3 0.071 4.031 3.960 0.000 0.000 0.215 544 G C 0.341 175.239 174.900 -0.004 0.000 1.156 544 G CA 1.591 46.689 45.100 -0.004 0.000 0.793 544 G HN 0.789 nan 8.290 nan 0.000 0.535 545 P HA 0.153 nan 4.420 nan 0.000 0.219 545 P C 1.754 179.050 177.300 -0.006 0.000 1.150 545 P CA 2.338 65.435 63.100 -0.005 0.000 0.814 545 P CB -0.164 31.533 31.700 -0.004 0.000 0.787 546 E N -1.139 119.058 120.200 -0.006 0.000 2.107 546 E HA 0.116 4.466 4.350 0.000 0.000 0.191 546 E C 2.261 178.855 176.600 -0.009 0.000 0.982 546 E CA 1.701 58.096 56.400 -0.007 0.000 0.809 546 E CB -1.692 28.004 29.700 -0.006 0.000 0.756 546 E HN 0.406 nan 8.360 nan 0.000 0.459 547 L N 0.146 121.364 121.223 -0.008 0.000 2.131 547 L HA 0.505 4.845 4.340 0.000 0.000 0.206 547 L C 3.214 180.079 176.870 -0.009 0.000 1.087 547 L CA 2.199 57.033 54.840 -0.009 0.000 0.767 547 L CB -1.607 40.447 42.059 -0.009 0.000 0.917 547 L HN 0.838 nan 8.230 nan 0.000 0.441 548 L N -1.154 120.064 121.223 -0.008 0.000 2.395 548 L HA 0.283 4.623 4.340 0.000 0.000 0.218 548 L C 2.702 179.567 176.870 -0.008 0.000 1.130 548 L CA 2.522 57.357 54.840 -0.008 0.000 0.826 548 L CB -2.329 39.726 42.059 -0.006 0.000 0.941 548 L HN 0.701 nan 8.230 nan 0.000 0.451 549 T N -2.194 112.354 114.554 -0.009 0.000 2.995 549 T HA 0.429 4.779 4.350 0.000 0.000 0.269 549 T C 1.312 176.006 174.700 -0.011 0.000 1.091 549 T CA 1.814 63.908 62.100 -0.009 0.000 1.128 549 T CB -0.732 68.130 68.868 -0.010 0.000 0.891 549 T HN 1.138 nan 8.240 nan 0.000 0.492 550 M N -0.270 119.323 119.600 -0.011 0.000 2.198 550 M HA 0.523 5.003 4.480 0.000 0.000 0.315 550 M C 0.816 177.109 176.300 -0.012 0.000 1.134 550 M CA -0.742 54.550 55.300 -0.013 0.000 1.171 550 M CB -1.574 31.017 32.600 -0.014 0.000 1.413 550 M HN 0.853 nan 8.290 nan 0.000 0.467 551 W N -0.398 120.894 121.300 -0.013 0.000 2.034 551 W HA 0.566 5.226 4.660 0.000 0.000 0.357 551 W C 0.434 176.946 176.519 -0.011 0.000 1.326 551 W CA -0.945 56.393 57.345 -0.012 0.000 1.318 551 W CB -1.003 28.449 29.460 -0.012 0.000 1.193 551 W HN 1.819 nan 8.180 nan 0.000 0.620 552 F N 2.077 122.021 119.950 -0.010 0.000 2.590 552 F HA 0.469 4.996 4.527 0.000 0.000 0.389 552 F C 1.588 177.382 175.800 -0.010 0.000 1.049 552 F CA 0.242 58.237 58.000 -0.009 0.000 1.199 552 F CB -0.422 38.573 39.000 -0.008 0.000 1.058 552 F HN 2.474 nan 8.300 nan 0.000 0.556 553 G N 0.193 108.986 108.800 -0.011 0.000 2.257 553 G HA2 -0.100 3.860 3.960 0.000 0.000 0.267 553 G HA3 -0.100 3.860 3.960 0.000 0.000 0.267 553 G C 0.812 175.703 174.900 -0.015 0.000 0.984 553 G CA 1.445 46.538 45.100 -0.012 0.000 0.626 553 G HN 2.136 nan 8.290 nan 0.000 0.540 554 E N -0.358 119.832 120.200 -0.017 0.000 2.358 554 E HA 0.444 4.794 4.350 0.000 0.000 0.195 554 E C 2.723 179.311 176.600 -0.020 0.000 1.010 554 E CA 1.862 58.249 56.400 -0.020 0.000 0.856 554 E CB -1.002 28.686 29.700 -0.020 0.000 0.795 554 E HN 1.600 nan 8.360 nan 0.000 0.504 555 S N 0.519 116.209 115.700 -0.016 0.000 2.371 555 S HA 0.094 4.564 4.470 0.000 0.000 0.224 555 S C 2.356 176.947 174.600 -0.015 0.000 1.029 555 S CA 1.920 60.111 58.200 -0.015 0.000 0.978 555 S CB -0.354 62.839 63.200 -0.012 0.000 0.833 555 S HN 0.739 nan 8.310 nan 0.000 0.466 556 E N 0.772 120.963 120.200 -0.015 0.000 2.208 556 E HA 0.398 4.748 4.350 0.000 0.000 0.193 556 E C 2.168 178.756 176.600 -0.019 0.000 0.988 556 E CA 1.302 57.693 56.400 -0.014 0.000 0.828 556 E CB -1.003 28.689 29.700 -0.012 0.000 0.763 556 E HN 0.866 nan 8.360 nan 0.000 0.478 557 A N 0.512 123.319 122.820 -0.023 0.000 2.014 557 A HA 0.064 4.384 4.320 0.000 0.000 0.218 557 A C 2.374 179.937 177.584 -0.035 0.000 1.163 557 A CA 1.828 53.846 52.037 -0.031 0.000 0.652 557 A CB -0.942 18.038 19.000 -0.034 0.000 0.808 557 A HN 0.692 nan 8.150 nan 0.000 0.449 558 N N -0.199 118.483 118.700 -0.029 0.000 2.376 558 N HA 0.221 4.961 4.740 0.000 0.000 0.177 558 N C 1.932 177.428 175.510 -0.024 0.000 1.024 558 N CA 1.503 54.536 53.050 -0.029 0.000 0.893 558 N CB -0.867 37.605 38.487 -0.024 0.000 0.980 558 N HN 0.678 nan 8.380 nan 0.000 0.439 559 V N 0.023 119.925 119.914 -0.020 0.000 2.453 559 V HA 0.142 4.262 4.120 0.000 0.000 0.247 559 V C 2.731 178.816 176.094 -0.016 0.000 1.048 559 V CA 2.492 64.783 62.300 -0.015 0.000 1.049 559 V CB -1.257 30.559 31.823 -0.011 0.000 0.672 559 V HN 0.747 nan 8.190 nan 0.000 0.457 560 R N 0.126 120.614 120.500 -0.020 0.000 2.153 560 R HA 0.144 4.484 4.340 0.000 0.000 0.218 560 R C 2.140 178.423 176.300 -0.027 0.000 1.072 560 R CA 2.084 58.172 56.100 -0.020 0.000 0.990 560 R CB -1.441 28.846 30.300 -0.022 0.000 0.889 560 R HN 0.896 nan 8.270 nan 0.000 0.452 561 E N 0.004 120.182 120.200 -0.037 0.000 2.285 561 E HA 0.283 4.633 4.350 0.000 0.000 0.194 561 E C 2.263 178.844 176.600 -0.033 0.000 0.997 561 E CA 1.264 57.634 56.400 -0.050 0.000 0.845 561 E CB -0.812 28.847 29.700 -0.068 0.000 0.782 561 E HN 0.848 nan 8.360 nan 0.000 0.491 562 I N -0.629 119.928 120.570 -0.022 0.000 2.400 562 I HA 0.337 4.507 4.170 0.000 0.000 0.248 562 I C 2.821 178.935 176.117 -0.006 0.000 1.109 562 I CA 1.845 63.137 61.300 -0.013 0.000 1.425 562 I CB -1.584 36.409 38.000 -0.010 0.000 1.094 562 I HN 0.644 nan 8.210 nan 0.000 0.425 563 F N 1.354 121.300 119.950 -0.006 0.000 2.325 563 F HA 0.094 4.621 4.527 0.000 0.000 0.299 563 F C 2.414 178.215 175.800 0.003 0.000 1.090 563 F CA 2.336 60.336 58.000 -0.000 0.000 1.392 563 F CB -1.665 37.334 39.000 -0.001 0.000 1.053 563 F HN 0.559 nan 8.300 nan 0.000 0.521 564 D N 0.375 120.775 120.400 -0.001 0.000 2.183 564 D HA 0.027 4.667 4.640 0.000 0.000 0.203 564 D C 2.177 178.487 176.300 0.016 0.000 0.969 564 D CA 2.021 56.025 54.000 0.007 0.000 0.842 564 D CB -0.929 39.869 40.800 -0.003 0.000 0.957 564 D HN 0.631 nan 8.370 nan 0.000 0.484 565 K N 0.123 120.529 120.400 0.010 0.000 2.155 565 K HA 0.529 4.849 4.320 0.000 0.000 0.203 565 K C 2.583 179.195 176.600 0.020 0.000 1.052 565 K CA 1.363 57.661 56.287 0.019 0.000 0.948 565 K CB -0.721 31.785 32.500 0.010 0.000 0.728 565 K HN 0.672 nan 8.250 nan 0.000 0.448 566 A N 0.983 123.811 122.820 0.014 0.000 1.968 566 A HA 0.106 4.426 4.320 0.000 0.000 0.217 566 A C 2.651 180.244 177.584 0.016 0.000 1.169 566 A CA 1.979 54.024 52.037 0.013 0.000 0.638 566 A CB -0.610 18.396 19.000 0.010 0.000 0.812 566 A HN 0.651 nan 8.150 nan 0.000 0.446 567 R N -1.460 119.051 120.500 0.018 0.000 2.148 567 R HA 0.059 4.399 4.340 0.000 0.000 0.223 567 R C 2.409 178.724 176.300 0.025 0.000 1.088 567 R CA 2.069 58.181 56.100 0.020 0.000 0.985 567 R CB -1.832 28.480 30.300 0.021 0.000 0.880 567 R HN 0.824 nan 8.270 nan 0.000 0.451 568 Q N -0.434 119.384 119.800 0.030 0.000 2.119 568 Q HA 0.403 4.743 4.340 0.000 0.000 0.201 568 Q C 2.140 178.157 176.000 0.029 0.000 0.972 568 Q CA 1.494 57.318 55.803 0.036 0.000 0.847 568 Q CB -0.313 28.454 28.738 0.049 0.000 0.903 568 Q HN 1.012 nan 8.270 nan 0.000 0.433 569 A N -0.134 122.701 122.820 0.024 0.000 2.842 569 A HA 0.732 5.052 4.320 0.000 0.000 0.298 569 A C 0.846 178.439 177.584 0.016 0.000 1.293 569 A CA 0.252 52.301 52.037 0.019 0.000 0.959 569 A CB -0.636 18.375 19.000 0.019 0.000 1.119 569 A HN 0.857 nan 8.150 nan 0.000 0.564 570 A N 0.681 123.511 122.820 0.016 0.000 2.371 570 A HA 0.635 4.955 4.320 0.000 0.000 0.257 570 A C -0.863 176.728 177.584 0.012 0.000 1.089 570 A CA -0.272 51.773 52.037 0.014 0.000 0.794 570 A CB -0.444 18.565 19.000 0.015 0.000 1.029 570 A HN 0.555 nan 8.150 nan 0.000 0.488 571 P HA 0.522 nan 4.420 nan 0.000 0.271 571 P C -0.126 177.179 177.300 0.009 0.000 1.216 571 P CA 0.841 63.947 63.100 0.010 0.000 0.776 571 P CB 0.176 31.881 31.700 0.008 0.000 0.881 572 C N -0.245 119.060 119.300 0.009 0.000 3.335 572 C HA 0.987 5.447 4.460 0.000 0.000 0.356 572 C C -0.082 174.913 174.990 0.008 0.000 1.570 572 C CA 0.081 59.104 59.018 0.009 0.000 1.271 572 C CB 0.941 28.687 27.740 0.010 0.000 1.873 572 C HN 0.914 nan 8.230 nan 0.000 0.439 573 V N 0.465 120.383 119.914 0.007 0.000 2.568 573 V HA 0.799 4.919 4.120 0.000 0.000 0.276 573 V C -0.137 175.961 176.094 0.006 0.000 1.002 573 V CA 0.155 62.459 62.300 0.006 0.000 0.879 573 V CB 0.778 32.604 31.823 0.006 0.000 1.040 573 V HN 2.386 nan 8.190 nan 0.000 0.457 574 L N 3.463 124.689 121.223 0.005 0.000 2.363 574 L HA 0.820 5.160 4.340 0.000 0.000 0.286 574 L C 0.369 177.242 176.870 0.004 0.000 1.106 574 L CA 0.205 55.048 54.840 0.004 0.000 0.859 574 L CB -0.212 41.849 42.059 0.004 0.000 1.223 574 L HN 1.832 nan 8.230 nan 0.000 0.446 575 F N 2.659 122.611 119.950 0.004 0.000 2.377 575 F HA 0.667 5.194 4.527 0.000 0.000 0.360 575 F C 0.509 176.311 175.800 0.003 0.000 1.147 575 F CA -1.166 56.836 58.000 0.004 0.000 1.170 575 F CB -0.806 38.196 39.000 0.004 0.000 1.339 575 F HN 1.347 nan 8.300 nan 0.000 0.552 576 F N 1.372 121.323 119.950 0.002 0.000 2.495 576 F HA 0.471 4.998 4.527 0.000 0.000 0.365 576 F C 0.562 176.362 175.800 0.001 0.000 1.090 576 F CA -0.301 57.700 58.000 0.001 0.000 1.235 576 F CB -0.496 38.504 39.000 0.000 0.000 1.119 576 F HN 0.941 nan 8.300 nan 0.000 0.562 577 D N 1.253 121.654 120.400 0.001 0.000 2.178 577 D HA 0.340 4.980 4.640 0.000 0.000 0.217 577 D C 1.220 177.520 176.300 0.001 0.000 0.992 577 D CA 1.071 55.072 54.000 0.001 0.000 0.895 577 D CB -0.793 40.008 40.800 0.001 0.000 1.031 577 D HN 1.250 nan 8.370 nan 0.000 0.453 578 E N -0.259 119.941 120.200 -0.000 0.000 2.427 578 E HA 0.642 4.992 4.350 0.000 0.000 0.259 578 E C 1.706 178.305 176.600 -0.001 0.000 1.267 578 E CA 0.478 56.878 56.400 -0.001 0.000 1.425 578 E CB -0.782 28.917 29.700 -0.001 0.000 1.482 578 E HN 1.196 nan 8.360 nan 0.000 0.460 579 L N -0.351 120.872 121.223 -0.000 0.000 2.151 579 L HA -0.185 4.155 4.340 0.000 0.000 0.215 579 L C 2.382 179.252 176.870 -0.001 0.000 1.084 579 L CA 3.655 58.495 54.840 -0.001 0.000 0.764 579 L CB -1.834 40.225 42.059 -0.000 0.000 0.891 579 L HN 0.765 nan 8.230 nan 0.000 0.435 580 D N -1.404 118.996 120.400 -0.001 0.000 2.219 580 D HA 0.100 4.740 4.640 0.000 0.000 0.205 580 D C 2.412 178.711 176.300 -0.002 0.000 0.970 580 D CA 1.881 55.880 54.000 -0.001 0.000 0.851 580 D CB -0.524 40.276 40.800 -0.001 0.000 0.943 580 D HN 0.982 nan 8.370 nan 0.000 0.488 581 S N -0.626 115.073 115.700 -0.002 0.000 2.453 581 S HA 0.297 4.767 4.470 0.000 0.000 0.231 581 S C 2.301 176.900 174.600 -0.003 0.000 1.005 581 S CA 1.879 60.077 58.200 -0.002 0.000 0.949 581 S CB -0.568 62.630 63.200 -0.003 0.000 0.774 581 S HN 1.147 nan 8.310 nan 0.000 0.510 582 I N -0.749 119.819 120.570 -0.003 0.000 2.731 582 I HA 0.750 4.920 4.170 0.000 0.000 0.260 582 I C 1.369 177.484 176.117 -0.003 0.000 1.138 582 I CA 1.031 62.329 61.300 -0.003 0.000 1.461 582 I CB -0.996 37.002 38.000 -0.003 0.000 1.128 582 I HN 0.592 nan 8.210 nan 0.000 0.438 583 A N 0.539 123.358 122.820 -0.002 0.000 2.646 583 A HA 0.695 5.015 4.320 0.000 0.000 0.312 583 A C 0.437 178.021 177.584 -0.001 0.000 1.245 583 A CA 0.273 52.309 52.037 -0.001 0.000 0.755 583 A CB 0.024 19.024 19.000 -0.001 0.000 1.132 583 A HN 0.941 nan 8.150 nan 0.000 0.458 584 K N 0.467 120.866 120.400 -0.001 0.000 2.506 584 K HA 0.663 4.983 4.320 0.000 0.000 0.204 584 K C 1.384 177.984 176.600 -0.001 0.000 1.045 584 K CA 1.167 57.453 56.287 -0.001 0.000 1.074 584 K CB -0.482 32.017 32.500 -0.001 0.000 0.842 584 K HN 1.785 nan 8.250 nan 0.000 0.514 585 A N 1.319 124.138 122.820 -0.001 0.000 1.899 585 A HA -0.340 3.980 4.320 0.000 0.000 0.230 585 A C 2.717 180.300 177.584 -0.001 0.000 1.593 585 A CA 4.573 56.610 52.037 -0.001 0.000 0.728 585 A CB -1.482 17.518 19.000 -0.000 0.000 0.848 585 A HN 1.537 nan 8.150 nan 0.000 0.490 586 R N -2.506 117.994 120.500 -0.000 0.000 2.310 586 R HA -0.239 4.101 4.340 0.000 0.000 0.200 586 R C 2.817 179.117 176.300 -0.000 0.000 1.076 586 R CA 3.668 59.768 56.100 -0.000 0.000 0.499 586 R CB -1.996 28.303 30.300 -0.000 0.000 0.797 586 R HN 2.078 nan 8.270 nan 0.000 0.279 587 G N -3.434 105.366 108.800 -0.001 0.000 3.102 587 G HA2 0.373 4.333 3.960 0.000 0.000 0.204 587 G HA3 0.373 4.333 3.960 0.000 0.000 0.204 587 G C 1.489 176.389 174.900 -0.001 0.000 1.155 587 G CA 0.922 46.022 45.100 -0.001 0.000 0.931 587 G HN 1.219 nan 8.290 nan 0.000 0.691 588 G N 0.077 108.876 108.800 -0.001 0.000 2.777 588 G HA2 0.288 4.248 3.960 0.000 0.000 0.211 588 G HA3 0.288 4.248 3.960 0.000 0.000 0.211 588 G C 0.691 175.590 174.900 -0.002 0.000 1.149 588 G CA 0.823 45.922 45.100 -0.001 0.000 0.785 588 G HN 0.724 nan 8.290 nan 0.000 0.536 589 N N -0.577 118.122 118.700 -0.001 0.000 2.497 589 N HA 0.575 5.315 4.740 0.000 0.000 0.268 589 N C -0.317 175.192 175.510 -0.002 0.000 1.171 589 N CA 0.423 53.472 53.050 -0.002 0.000 0.948 589 N CB 0.469 38.955 38.487 -0.002 0.000 1.069 589 N HN 1.043 nan 8.380 nan 0.000 0.460 590 I N -0.357 120.212 120.570 -0.002 0.000 2.646 590 I HA 0.777 4.947 4.170 0.000 0.000 0.265 590 I C 0.366 176.482 176.117 -0.002 0.000 1.350 590 I CA -0.096 61.203 61.300 -0.002 0.000 0.990 590 I CB 0.809 38.808 38.000 -0.002 0.000 1.352 590 I HN 1.454 nan 8.210 nan 0.000 0.509 591 G N 0.489 109.288 108.800 -0.002 0.000 2.519 591 G HA2 0.649 4.609 3.960 0.000 0.000 0.292 591 G HA3 0.649 4.609 3.960 0.000 0.000 0.292 591 G C -0.113 174.786 174.900 -0.003 0.000 1.507 591 G CA 0.756 45.854 45.100 -0.003 0.000 0.806 591 G HN 1.309 nan 8.290 nan 0.000 0.523 592 D N -0.879 119.520 120.400 -0.003 0.000 2.277 592 D HA 0.256 4.896 4.640 0.000 0.000 0.208 592 D C 2.021 178.319 176.300 -0.003 0.000 0.962 592 D CA 1.973 55.971 54.000 -0.003 0.000 0.865 592 D CB 0.035 40.833 40.800 -0.003 0.000 0.939 592 D HN 0.962 nan 8.370 nan 0.000 0.510 593 G N -0.361 108.436 108.800 -0.004 0.000 2.576 593 G HA2 0.315 4.275 3.960 0.000 0.000 0.210 593 G HA3 0.315 4.275 3.960 0.000 0.000 0.210 593 G C 1.801 176.698 174.900 -0.005 0.000 1.143 593 G CA 1.178 46.275 45.100 -0.005 0.000 0.819 593 G HN 0.596 nan 8.290 nan 0.000 0.534 594 G N 0.891 109.689 108.800 -0.004 0.000 2.403 594 G HA2 0.126 4.086 3.960 0.000 0.000 0.216 594 G HA3 0.126 4.086 3.960 0.000 0.000 0.216 594 G C 1.682 176.580 174.900 -0.003 0.000 1.154 594 G CA 1.301 46.398 45.100 -0.004 0.000 0.784 594 G HN 0.508 nan 8.290 nan 0.000 0.538 595 G N 0.686 109.484 108.800 -0.003 0.000 2.448 595 G HA2 0.183 4.143 3.960 0.000 0.000 0.218 595 G HA3 0.183 4.143 3.960 0.000 0.000 0.218 595 G C 1.849 176.748 174.900 -0.002 0.000 1.135 595 G CA 1.220 46.319 45.100 -0.002 0.000 0.784 595 G HN 0.582 nan 8.290 nan 0.000 0.543 596 A N 0.657 123.475 122.820 -0.003 0.000 2.067 596 A HA 0.518 4.838 4.320 0.000 0.000 0.217 596 A C 2.573 180.155 177.584 -0.004 0.000 1.156 596 A CA 1.671 53.706 52.037 -0.003 0.000 0.683 596 A CB -0.260 18.737 19.000 -0.004 0.000 0.808 596 A HN 0.536 nan 8.150 nan 0.000 0.455 597 A N -0.453 122.365 122.820 -0.004 0.000 1.935 597 A HA 0.223 4.543 4.320 0.000 0.000 0.214 597 A C 1.873 179.455 177.584 -0.004 0.000 1.178 597 A CA 1.576 53.610 52.037 -0.005 0.000 0.640 597 A CB -0.952 18.045 19.000 -0.005 0.000 0.825 597 A HN 0.571 nan 8.150 nan 0.000 0.447 598 D N -0.630 119.768 120.400 -0.003 0.000 2.183 598 D HA -0.004 4.636 4.640 0.000 0.000 0.203 598 D C 2.191 178.490 176.300 -0.001 0.000 0.969 598 D CA 2.103 56.102 54.000 -0.002 0.000 0.842 598 D CB -0.694 40.105 40.800 -0.002 0.000 0.957 598 D HN 0.626 nan 8.370 nan 0.000 0.484 599 R N -0.116 120.383 120.500 -0.002 0.000 2.148 599 R HA 0.469 4.809 4.340 0.000 0.000 0.223 599 R C 2.777 179.077 176.300 -0.001 0.000 1.088 599 R CA 1.578 57.678 56.100 -0.001 0.000 0.985 599 R CB -1.602 28.698 30.300 -0.001 0.000 0.880 599 R HN 0.963 nan 8.270 nan 0.000 0.451 600 V N 0.125 120.037 119.914 -0.002 0.000 2.667 600 V HA 0.177 4.297 4.120 0.000 0.000 0.252 600 V C 2.816 178.908 176.094 -0.003 0.000 1.065 600 V CA 2.377 64.675 62.300 -0.003 0.000 1.083 600 V CB -0.745 31.075 31.823 -0.005 0.000 0.692 600 V HN 0.614 nan 8.190 nan 0.000 0.468 601 I N 0.344 120.912 120.570 -0.002 0.000 2.876 601 I HA 0.046 4.216 4.170 0.000 0.000 0.264 601 I C 2.234 178.351 176.117 -0.000 0.000 1.204 601 I CA 2.244 63.543 61.300 -0.002 0.000 1.485 601 I CB -2.119 35.879 38.000 -0.002 0.000 1.103 601 I HN 0.694 nan 8.210 nan 0.000 0.446 602 N N 0.252 118.952 118.700 0.000 0.000 2.376 602 N HA 0.036 4.776 4.740 0.000 0.000 0.177 602 N C 2.038 177.550 175.510 0.002 0.000 1.024 602 N CA 1.773 54.824 53.050 0.001 0.000 0.893 602 N CB -0.548 37.940 38.487 0.001 0.000 0.980 602 N HN 0.913 nan 8.380 nan 0.000 0.439 603 Q N -0.376 119.425 119.800 0.002 0.000 2.245 603 Q HA 0.429 4.769 4.340 0.000 0.000 0.201 603 Q C 2.562 178.564 176.000 0.003 0.000 0.955 603 Q CA 1.458 57.262 55.803 0.003 0.000 0.870 603 Q CB -1.243 27.497 28.738 0.002 0.000 0.945 603 Q HN 1.122 nan 8.270 nan 0.000 0.461 604 I N -0.299 120.272 120.570 0.002 0.000 2.500 604 I HA 0.383 4.553 4.170 0.000 0.000 0.252 604 I C 2.873 178.992 176.117 0.004 0.000 1.142 604 I CA 1.689 62.990 61.300 0.002 0.000 1.451 604 I CB -1.427 36.573 38.000 -0.000 0.000 1.093 604 I HN 0.694 nan 8.210 nan 0.000 0.430 605 L N -0.012 121.213 121.223 0.003 0.000 2.072 605 L HA 0.120 4.460 4.340 0.000 0.000 0.205 605 L C 2.805 179.678 176.870 0.005 0.000 1.079 605 L CA 2.973 57.815 54.840 0.004 0.000 0.752 605 L CB -2.261 39.800 42.059 0.003 0.000 0.906 605 L HN 0.671 nan 8.230 nan 0.000 0.436 606 T N -1.079 113.479 114.554 0.005 0.000 2.962 606 T HA 0.088 4.438 4.350 0.000 0.000 0.270 606 T C 2.110 176.815 174.700 0.008 0.000 1.088 606 T CA 2.547 64.651 62.100 0.006 0.000 1.127 606 T CB -0.673 68.199 68.868 0.006 0.000 0.883 606 T HN 0.882 nan 8.240 nan 0.000 0.493 607 E N 0.187 120.392 120.200 0.008 0.000 2.187 607 E HA 0.221 4.571 4.350 0.000 0.000 0.199 607 E C 1.686 178.293 176.600 0.012 0.000 1.004 607 E CA 1.915 58.321 56.400 0.010 0.000 0.813 607 E CB -1.468 28.239 29.700 0.010 0.000 0.736 607 E HN 0.996 nan 8.360 nan 0.000 0.468 608 M N -0.695 118.911 119.600 0.011 0.000 1.801 608 M HA 0.507 4.987 4.480 0.000 0.000 0.198 608 M C 1.440 177.747 176.300 0.012 0.000 1.248 608 M CA 1.395 56.702 55.300 0.012 0.000 0.893 608 M CB -1.089 31.517 32.600 0.010 0.000 1.199 608 M HN 1.827 nan 8.290 nan 0.000 0.482 617 V N -0.330 119.591 119.914 0.011 0.000 2.775 617 V HA 0.912 5.032 4.120 0.000 0.000 0.299 617 V C 0.815 176.915 176.094 0.010 0.000 1.062 617 V CA 0.116 62.422 62.300 0.011 0.000 1.063 617 V CB 0.497 32.325 31.823 0.009 0.000 0.994 617 V HN 1.999 nan 8.190 nan 0.000 0.483 618 F N 3.920 123.876 119.950 0.010 0.000 2.496 618 F HA 0.804 5.331 4.527 0.000 0.000 0.341 618 F C -0.072 175.733 175.800 0.008 0.000 1.134 618 F CA -0.936 57.070 58.000 0.009 0.000 0.968 618 F CB 0.257 39.263 39.000 0.010 0.000 1.205 618 F HN 1.493 nan 8.300 nan 0.000 0.436 619 I N 1.166 121.740 120.570 0.007 0.000 2.662 619 I HA 0.812 4.982 4.170 0.000 0.000 0.291 619 I C 0.342 176.463 176.117 0.006 0.000 1.046 619 I CA -0.526 60.778 61.300 0.006 0.000 1.361 619 I CB 0.628 38.632 38.000 0.006 0.000 1.429 619 I HN 1.942 nan 8.210 nan 0.000 0.558 620 I N 3.455 124.028 120.570 0.005 0.000 2.411 620 I HA 0.837 5.007 4.170 0.000 0.000 0.284 620 I C 0.423 176.542 176.117 0.004 0.000 1.012 620 I CA -0.386 60.916 61.300 0.004 0.000 1.119 620 I CB 0.945 38.947 38.000 0.004 0.000 1.261 620 I HN 1.391 nan 8.210 nan 0.000 0.448 621 G N 4.267 113.069 108.800 0.004 0.000 2.377 621 G HA2 0.793 4.753 3.960 0.000 0.000 0.316 621 G HA3 0.793 4.753 3.960 0.000 0.000 0.316 621 G C 0.124 175.026 174.900 0.003 0.000 1.115 621 G CA 0.454 45.556 45.100 0.003 0.000 0.952 621 G HN 1.740 nan 8.290 nan 0.000 0.441 622 A N 1.893 124.714 122.820 0.002 0.000 2.248 622 A HA 1.053 5.373 4.320 0.000 0.000 0.316 622 A C 0.480 178.066 177.584 0.002 0.000 1.101 622 A CA 0.158 52.196 52.037 0.002 0.000 0.875 622 A CB 1.225 20.226 19.000 0.001 0.000 1.207 622 A HN 1.587 nan 8.150 nan 0.000 0.504 623 T N -1.534 113.021 114.554 0.001 0.000 3.041 623 T HA 0.749 5.099 4.350 0.000 0.000 0.321 623 T C -0.562 174.138 174.700 0.001 0.000 1.184 623 T CA 0.282 62.383 62.100 0.001 0.000 1.050 623 T CB 0.410 69.279 68.868 0.002 0.000 1.159 623 T HN 2.044 nan 8.240 nan 0.000 0.469 624 N N -0.686 118.014 118.700 0.001 0.000 3.106 624 N HA 0.862 5.602 4.740 0.000 0.000 0.253 624 N C 1.148 176.659 175.510 0.001 0.000 1.506 624 N CA 0.668 53.719 53.050 0.001 0.000 0.876 624 N CB 0.369 38.856 38.487 0.000 0.000 1.452 624 N HN 1.148 nan 8.380 nan 0.000 0.542 625 R N -1.145 119.355 120.500 0.000 0.000 2.062 625 R HA 0.701 5.041 4.340 0.000 0.000 0.229 625 R C -0.419 175.881 176.300 0.000 0.000 1.128 625 R CA 2.510 58.610 56.100 0.000 0.000 0.960 625 R CB -1.497 28.803 30.300 0.000 0.000 0.855 625 R HN 1.328 nan 8.270 nan 0.000 0.432 626 P HA 0.508 nan 4.420 nan 0.000 0.320 626 P C -0.303 176.997 177.300 0.000 0.000 1.175 626 P CA 0.715 63.816 63.100 0.000 0.000 1.433 626 P CB 1.003 32.703 31.700 0.000 0.000 2.264 627 D N -1.347 119.054 120.400 0.001 0.000 2.178 627 D HA 0.094 4.734 4.640 0.000 0.000 0.202 627 D C 1.961 178.261 176.300 0.000 0.000 0.974 627 D CA 2.797 56.798 54.000 0.001 0.000 0.841 627 D CB -1.067 39.733 40.800 0.001 0.000 0.953 627 D HN 0.629 nan 8.370 nan 0.000 0.478 628 I N 0.532 121.102 120.570 0.000 0.000 2.361 628 I HA 0.197 4.367 4.170 0.000 0.000 0.251 628 I C 3.138 179.255 176.117 0.000 0.000 1.133 628 I CA 2.324 63.624 61.300 0.000 0.000 1.413 628 I CB -1.588 36.412 38.000 0.000 0.000 1.073 628 I HN 0.682 nan 8.210 nan 0.000 0.424 629 I N 1.319 121.889 120.570 -0.000 0.000 2.202 629 I HA 0.157 4.327 4.170 0.000 0.000 0.242 629 I C 1.682 177.799 176.117 -0.000 0.000 1.091 629 I CA 1.911 63.211 61.300 -0.000 0.000 1.368 629 I CB -1.867 36.133 38.000 -0.000 0.000 1.058 629 I HN 0.732 nan 8.210 nan 0.000 0.410 630 D N 1.098 121.498 120.400 -0.000 0.000 2.360 630 D HA 0.551 5.191 4.640 0.000 0.000 0.242 630 D C -1.406 174.894 176.300 0.000 0.000 1.184 630 D CA -0.374 53.626 54.000 0.000 0.000 0.930 630 D CB -0.686 40.114 40.800 0.000 0.000 1.161 630 D HN 0.814 nan 8.370 nan 0.000 0.447 631 P HA 0.578 nan 4.420 nan 0.000 0.274 631 P C 0.866 178.166 177.300 0.001 0.000 1.231 631 P CA 0.825 63.925 63.100 0.000 0.000 0.790 631 P CB 1.067 32.767 31.700 0.000 0.000 0.951 632 A N 2.131 124.952 122.820 0.001 0.000 2.066 632 A HA 0.194 4.514 4.320 0.000 0.000 0.218 632 A C 2.344 179.929 177.584 0.001 0.000 1.157 632 A CA 1.995 54.032 52.037 0.001 0.000 0.670 632 A CB -1.265 17.736 19.000 0.001 0.000 0.804 632 A HN 0.672 nan 8.150 nan 0.000 0.453 633 I N -0.963 119.607 120.570 0.001 0.000 2.546 633 I HA 0.182 4.352 4.170 0.000 0.000 0.255 633 I C 2.708 178.825 176.117 0.002 0.000 1.163 633 I CA 1.903 63.204 61.300 0.001 0.000 1.457 633 I CB -1.862 36.139 38.000 0.001 0.000 1.092 633 I HN 0.552 nan 8.210 nan 0.000 0.434 634 L N 0.361 121.585 121.223 0.001 0.000 2.201 634 L HA 0.160 4.500 4.340 0.000 0.000 0.212 634 L C 2.943 179.815 176.870 0.002 0.000 1.105 634 L CA 2.573 57.414 54.840 0.001 0.000 0.775 634 L CB -2.388 39.672 42.059 0.001 0.000 0.913 634 L HN 0.786 nan 8.230 nan 0.000 0.440 635 R N 0.066 120.567 120.500 0.002 0.000 2.115 635 R HA 0.236 4.576 4.340 0.000 0.000 0.226 635 R C 0.481 176.782 176.300 0.002 0.000 1.100 635 R CA 0.886 56.988 56.100 0.002 0.000 0.980 635 R CB -2.422 27.879 30.300 0.002 0.000 0.875 635 R HN 0.679 nan 8.270 nan 0.000 0.445 636 P HA 0.228 nan 4.420 nan 0.000 0.235 636 P C 1.415 178.717 177.300 0.003 0.000 1.080 636 P CA 0.897 63.998 63.100 0.003 0.000 1.096 636 P CB -1.198 30.503 31.700 0.003 0.000 1.085 637 G N 3.105 111.907 108.800 0.003 0.000 2.999 637 G HA2 -0.450 3.510 3.960 0.000 0.000 0.335 637 G HA3 -0.450 3.510 3.960 0.000 0.000 0.335 637 G C 1.631 176.533 174.900 0.004 0.000 1.346 637 G CA 2.608 47.710 45.100 0.003 0.000 1.351 637 G HN 0.965 nan 8.290 nan 0.000 0.902 638 R N -0.309 120.194 120.500 0.004 0.000 2.170 638 R HA 0.342 4.682 4.340 0.000 0.000 0.242 638 R C 3.070 179.373 176.300 0.005 0.000 1.145 638 R CA 3.359 59.462 56.100 0.005 0.000 0.984 638 R CB -1.671 28.632 30.300 0.005 0.000 0.869 638 R HN 1.981 nan 8.270 nan 0.000 0.455 639 L N -0.290 120.936 121.223 0.004 0.000 2.539 639 L HA 0.537 4.877 4.340 0.000 0.000 0.160 639 L C 1.641 178.513 176.870 0.004 0.000 1.447 639 L CA 0.696 55.538 54.840 0.004 0.000 3.093 639 L CB -1.221 40.840 42.059 0.003 0.000 2.998 639 L HN 0.668 nan 8.230 nan 0.000 1.023 640 D N -0.815 119.586 120.400 0.003 0.000 2.416 640 D HA 0.468 5.108 4.640 0.000 0.000 0.240 640 D C 1.043 177.345 176.300 0.003 0.000 1.250 640 D CA 0.560 54.562 54.000 0.003 0.000 0.967 640 D CB -0.030 40.771 40.800 0.002 0.000 1.059 640 D HN 1.097 nan 8.370 nan 0.000 0.512 641 Q N 0.487 120.289 119.800 0.003 0.000 2.204 641 Q HA 0.485 4.825 4.340 0.000 0.000 0.198 641 Q C 1.832 177.833 176.000 0.003 0.000 0.946 641 Q CA 1.120 56.925 55.803 0.003 0.000 0.859 641 Q CB -0.679 28.061 28.738 0.003 0.000 0.946 641 Q HN 1.493 nan 8.270 nan 0.000 0.474 642 L N -0.472 120.753 121.223 0.003 0.000 2.456 642 L HA 0.899 5.239 4.340 0.000 0.000 0.257 642 L C 0.574 177.445 176.870 0.002 0.000 1.162 642 L CA -0.122 54.719 54.840 0.003 0.000 0.808 642 L CB 0.339 42.400 42.059 0.003 0.000 1.136 642 L HN 1.284 nan 8.230 nan 0.000 0.466 643 I N -1.799 118.773 120.570 0.002 0.000 2.918 643 I HA 0.873 5.043 4.170 0.000 0.000 0.301 643 I C -0.561 175.557 176.117 0.002 0.000 1.312 643 I CA -0.611 60.691 61.300 0.002 0.000 1.007 643 I CB 1.053 39.054 38.000 0.002 0.000 1.281 643 I HN 2.481 nan 8.210 nan 0.000 0.440 644 Y N 2.422 122.723 120.300 0.002 0.000 2.323 644 Y HA 0.890 5.440 4.550 0.000 0.000 0.322 644 Y C -0.352 175.549 175.900 0.002 0.000 1.133 644 Y CA -0.920 57.181 58.100 0.002 0.000 1.093 644 Y CB 0.235 38.696 38.460 0.002 0.000 1.203 644 Y HN 2.553 nan 8.280 nan 0.000 0.427 645 I N 1.611 122.182 120.570 0.002 0.000 2.499 645 I HA 0.998 5.168 4.170 0.000 0.000 0.296 645 I C -1.618 174.500 176.117 0.001 0.000 0.992 645 I CA -1.550 59.751 61.300 0.001 0.000 1.297 645 I CB 1.163 39.163 38.000 0.001 0.000 1.410 645 I HN 1.596 nan 8.210 nan 0.000 0.507 646 P HA 0.903 nan 4.420 nan 0.000 0.307 646 P C -0.652 176.649 177.300 0.001 0.000 1.785 646 P CA 0.529 63.630 63.100 0.001 0.000 1.425 646 P CB 1.083 32.784 31.700 0.002 0.000 1.278 647 L N 2.082 123.306 121.223 0.001 0.000 2.721 647 L HA 1.094 5.434 4.340 0.000 0.000 0.154 647 L C -0.457 176.414 176.870 0.001 0.000 1.831 647 L CA 0.186 55.027 54.840 0.001 0.000 2.816 647 L CB -1.503 40.557 42.059 0.001 0.000 3.008 647 L HN 0.688 nan 8.230 nan 0.000 0.696 648 P HA 0.603 nan 4.420 nan 0.000 0.285 648 P C -0.630 176.671 177.300 0.001 0.000 1.280 648 P CA 0.443 63.544 63.100 0.001 0.000 0.862 648 P CB 0.365 32.065 31.700 0.001 0.000 1.153 649 D N -0.237 120.164 120.400 0.001 0.000 2.302 649 D HA 0.518 5.158 4.640 0.000 0.000 0.248 649 D C 0.535 176.836 176.300 0.001 0.000 1.094 649 D CA 0.579 54.579 54.000 0.001 0.000 0.897 649 D CB 0.453 41.254 40.800 0.001 0.000 1.200 649 D HN 0.924 nan 8.370 nan 0.000 0.429 650 E N -0.502 119.699 120.200 0.001 0.000 3.218 650 E HA 0.571 4.921 4.350 0.000 0.000 0.265 650 E C 1.995 178.596 176.600 0.001 0.000 1.393 650 E CA 0.595 56.995 56.400 0.001 0.000 1.160 650 E CB -0.646 29.054 29.700 0.001 0.000 1.272 650 E HN 0.939 nan 8.360 nan 0.000 0.720 651 K N -0.458 119.942 120.400 0.001 0.000 2.002 651 K HA 0.031 4.351 4.320 0.000 0.000 0.209 651 K C 2.765 179.365 176.600 0.001 0.000 1.048 651 K CA 2.552 58.840 56.287 0.001 0.000 0.930 651 K CB -1.547 30.954 32.500 0.001 0.000 0.714 651 K HN 1.128 nan 8.250 nan 0.000 0.438 652 S N 0.669 116.369 115.700 0.001 0.000 2.419 652 S HA -0.006 4.464 4.470 0.000 0.000 0.233 652 S C 2.462 177.062 174.600 0.001 0.000 1.016 652 S CA 2.233 60.433 58.200 0.001 0.000 0.974 652 S CB -0.614 62.587 63.200 0.001 0.000 0.786 652 S HN 0.804 nan 8.310 nan 0.000 0.492 653 R N 0.417 120.917 120.500 0.001 0.000 2.115 653 R HA 0.469 4.809 4.340 0.000 0.000 0.226 653 R C 2.505 178.805 176.300 0.001 0.000 1.100 653 R CA 1.550 57.650 56.100 0.001 0.000 0.980 653 R CB -1.913 28.388 30.300 0.001 0.000 0.875 653 R HN 0.948 nan 8.270 nan 0.000 0.445 654 V N -0.279 119.635 119.914 0.001 0.000 2.667 654 V HA 0.279 4.399 4.120 0.000 0.000 0.252 654 V C 2.664 178.759 176.094 0.001 0.000 1.065 654 V CA 2.296 64.597 62.300 0.001 0.000 1.083 654 V CB -0.929 30.895 31.823 0.001 0.000 0.692 654 V HN 0.626 nan 8.190 nan 0.000 0.468 655 A N 0.185 123.006 122.820 0.001 0.000 1.929 655 A HA 0.102 4.422 4.320 0.000 0.000 0.216 655 A C 2.391 179.975 177.584 0.001 0.000 1.176 655 A CA 2.473 54.510 52.037 0.001 0.000 0.628 655 A CB -0.674 18.327 19.000 0.001 0.000 0.816 655 A HN 1.269 nan 8.150 nan 0.000 0.444 656 I N -0.872 119.699 120.570 0.001 0.000 2.353 656 I HA 0.211 4.381 4.170 0.000 0.000 0.248 656 I C 2.794 178.912 176.117 0.002 0.000 1.119 656 I CA 2.058 63.359 61.300 0.001 0.000 1.417 656 I CB -1.791 36.209 38.000 0.001 0.000 1.078 656 I HN 0.562 nan 8.210 nan 0.000 0.421 657 L N 0.351 121.575 121.223 0.002 0.000 2.217 657 L HA 0.190 4.530 4.340 0.000 0.000 0.211 657 L C 2.861 179.732 176.870 0.002 0.000 1.107 657 L CA 2.475 57.317 54.840 0.002 0.000 0.783 657 L CB -2.182 39.878 42.059 0.002 0.000 0.919 657 L HN 0.764 nan 8.230 nan 0.000 0.442 658 K N -0.249 120.153 120.400 0.002 0.000 2.103 658 K HA 0.336 4.656 4.320 0.000 0.000 0.204 658 K C 2.490 179.091 176.600 0.002 0.000 1.052 658 K CA 1.688 57.976 56.287 0.002 0.000 0.945 658 K CB -1.150 31.351 32.500 0.001 0.000 0.722 658 K HN 1.030 nan 8.250 nan 0.000 0.443 659 A N 1.198 124.019 122.820 0.002 0.000 1.968 659 A HA -0.038 4.282 4.320 0.000 0.000 0.217 659 A C 2.441 180.026 177.584 0.002 0.000 1.169 659 A CA 1.888 53.926 52.037 0.002 0.000 0.638 659 A CB -1.186 17.815 19.000 0.001 0.000 0.812 659 A HN 0.748 nan 8.150 nan 0.000 0.446 660 N N -0.431 118.270 118.700 0.002 0.000 2.142 660 N HA 0.123 4.863 4.740 0.000 0.000 0.186 660 N C 1.858 177.370 175.510 0.003 0.000 1.023 660 N CA 2.146 55.198 53.050 0.003 0.000 0.852 660 N CB -1.000 37.488 38.487 0.003 0.000 0.998 660 N HN 0.974 nan 8.380 nan 0.000 0.424 661 L N -1.424 119.801 121.223 0.003 0.000 2.591 661 L HA 0.684 5.024 4.340 0.000 0.000 0.228 661 L C 2.482 179.354 176.870 0.003 0.000 1.133 661 L CA 1.396 56.239 54.840 0.004 0.000 0.880 661 L CB -1.823 40.238 42.059 0.004 0.000 1.033 661 L HN 0.890 nan 8.230 nan 0.000 0.450 662 R N -0.566 119.935 120.500 0.003 0.000 2.629 662 R HA 0.534 4.874 4.340 0.000 0.000 0.386 662 R C 1.917 178.218 176.300 0.002 0.000 1.071 662 R CA 0.974 57.075 56.100 0.003 0.000 1.104 662 R CB -1.346 28.955 30.300 0.002 0.000 1.370 662 R HN 0.718 nan 8.270 nan 0.000 0.574 663 K N -0.123 120.279 120.400 0.003 0.000 2.076 663 K HA 0.396 4.716 4.320 0.000 0.000 0.204 663 K C 1.804 178.405 176.600 0.002 0.000 1.051 663 K CA 1.278 57.566 56.287 0.002 0.000 0.949 663 K CB -0.742 31.760 32.500 0.002 0.000 0.726 663 K HN 0.843 nan 8.250 nan 0.000 0.443 670 V N 0.909 120.824 119.914 0.001 0.000 2.970 670 V HA 0.407 4.527 4.120 0.000 0.000 0.260 670 V C 1.537 177.632 176.094 0.001 0.000 1.100 670 V CA 2.225 64.525 62.300 0.001 0.000 1.122 670 V CB -1.427 30.397 31.823 0.001 0.000 0.721 670 V HN 0.781 nan 8.190 nan 0.000 0.483 671 D N 0.432 120.832 120.400 0.001 0.000 2.349 671 D HA 0.591 5.231 4.640 0.000 0.000 0.266 671 D C -0.096 176.205 176.300 0.001 0.000 1.293 671 D CA 0.556 54.557 54.000 0.001 0.000 0.926 671 D CB -0.070 40.731 40.800 0.001 0.000 1.090 671 D HN 1.438 nan 8.370 nan 0.000 0.502 672 L N 1.147 122.371 121.223 0.001 0.000 2.270 672 L HA 0.805 5.145 4.340 0.000 0.000 0.286 672 L C 1.576 178.446 176.870 0.001 0.000 1.059 672 L CA 0.080 54.921 54.840 0.001 0.000 0.839 672 L CB -0.277 41.782 42.059 0.001 0.000 1.221 672 L HN 0.851 nan 8.230 nan 0.000 0.431 673 E N 2.123 122.323 120.200 0.001 0.000 2.274 673 E HA 0.065 4.415 4.350 0.000 0.000 0.194 673 E C 1.877 178.478 176.600 0.001 0.000 0.996 673 E CA 1.525 57.926 56.400 0.001 0.000 0.840 673 E CB -0.871 28.830 29.700 0.001 0.000 0.772 673 E HN 1.836 nan 8.360 nan 0.000 0.491 674 F N 0.556 120.506 119.950 0.001 0.000 2.367 674 F HA 0.384 4.911 4.527 0.000 0.000 0.298 674 F C 2.959 178.759 175.800 0.001 0.000 1.094 674 F CA 1.807 59.807 58.000 0.001 0.000 1.409 674 F CB -0.948 38.053 39.000 0.001 0.000 1.064 674 F HN 0.560 nan 8.300 nan 0.000 0.528 675 L N 0.030 121.254 121.223 0.001 0.000 2.068 675 L HA 0.427 4.767 4.340 0.000 0.000 0.204 675 L C 2.765 179.635 176.870 0.001 0.000 1.076 675 L CA 2.031 56.871 54.840 0.001 0.000 0.753 675 L CB -1.910 40.149 42.059 0.001 0.000 0.910 675 L HN 0.719 nan 8.230 nan 0.000 0.439 676 A N 0.079 122.899 122.820 0.001 0.000 1.972 676 A HA -0.011 4.309 4.320 0.000 0.000 0.219 676 A C 2.668 180.252 177.584 0.001 0.000 1.169 676 A CA 2.513 54.550 52.037 0.001 0.000 0.635 676 A CB -0.811 18.190 19.000 0.001 0.000 0.810 676 A HN 0.848 nan 8.150 nan 0.000 0.446 677 K N -1.783 118.617 120.400 0.001 0.000 2.103 677 K HA 0.154 4.474 4.320 0.000 0.000 0.204 677 K C 2.409 179.010 176.600 0.001 0.000 1.052 677 K CA 2.343 58.631 56.287 0.001 0.000 0.945 677 K CB -1.478 31.023 32.500 0.001 0.000 0.722 677 K HN 0.876 nan 8.250 nan 0.000 0.443 678 M N 0.865 120.465 119.600 0.001 0.000 2.229 678 M HA 0.146 4.626 4.480 0.000 0.000 0.264 678 M C 2.682 178.982 176.300 0.001 0.000 1.063 678 M CA 2.690 57.990 55.300 0.001 0.000 1.114 678 M CB -1.900 30.701 32.600 0.001 0.000 1.387 678 M HN 0.695 nan 8.290 nan 0.000 0.420 679 T N 0.261 114.816 114.554 0.001 0.000 3.043 679 T HA 0.343 4.693 4.350 0.000 0.000 0.263 679 T C 1.191 175.891 174.700 0.000 0.000 1.094 679 T CA 1.280 63.380 62.100 0.000 0.000 1.127 679 T CB -1.303 67.566 68.868 0.000 0.000 0.905 679 T HN 0.978 nan 8.240 nan 0.000 0.490 680 N N 1.414 120.114 118.700 0.001 0.000 2.807 680 N HA 0.511 5.251 4.740 0.000 0.000 0.259 680 N C 1.458 176.969 175.510 0.001 0.000 1.149 680 N CA 0.127 53.178 53.050 0.001 0.000 1.042 680 N CB -0.145 38.343 38.487 0.001 0.000 1.367 680 N HN 0.464 nan 8.380 nan 0.000 0.516 681 G N -0.392 108.409 108.800 0.000 0.000 2.454 681 G HA2 0.199 4.159 3.960 0.000 0.000 0.214 681 G HA3 0.199 4.159 3.960 0.000 0.000 0.214 681 G C 1.041 175.942 174.900 0.001 0.000 1.217 681 G CA 1.649 46.750 45.100 0.000 0.000 0.799 681 G HN 0.977 nan 8.290 nan 0.000 0.538 682 F N 1.602 121.552 119.950 0.000 0.000 2.798 682 F HA 0.789 5.316 4.527 0.000 0.000 0.291 682 F C 1.221 177.021 175.800 0.000 0.000 1.174 682 F CA -0.283 57.717 58.000 0.000 0.000 1.392 682 F CB -1.071 37.929 39.000 0.000 0.000 0.966 682 F HN 0.551 nan 8.300 nan 0.000 0.509 683 S N 0.275 115.975 115.700 0.001 0.000 2.617 683 S HA 0.713 5.183 4.470 0.000 0.000 0.269 683 S C 0.851 175.452 174.600 0.001 0.000 1.292 683 S CA -0.189 58.011 58.200 0.001 0.000 1.010 683 S CB 0.589 63.789 63.200 0.001 0.000 0.944 683 S HN 1.154 nan 8.310 nan 0.000 0.536 684 G N -0.907 107.894 108.800 0.001 0.000 2.887 684 G HA2 0.611 4.571 3.960 0.000 0.000 0.277 684 G HA3 0.611 4.571 3.960 0.000 0.000 0.277 684 G C 0.952 175.853 174.900 0.001 0.000 1.346 684 G CA 0.307 45.408 45.100 0.001 0.000 1.058 684 G HN 1.149 nan 8.290 nan 0.000 0.535 685 A N -1.470 121.351 122.820 0.002 0.000 1.930 685 A HA 0.170 4.490 4.320 0.000 0.000 0.217 685 A C 2.082 179.667 177.584 0.002 0.000 1.175 685 A CA 2.436 54.474 52.037 0.002 0.000 0.627 685 A CB -1.062 17.939 19.000 0.002 0.000 0.815 685 A HN 0.877 nan 8.150 nan 0.000 0.443 686 D N -1.120 119.281 120.400 0.002 0.000 2.277 686 D HA 0.305 4.945 4.640 0.000 0.000 0.208 686 D C 1.955 178.256 176.300 0.002 0.000 0.962 686 D CA 1.480 55.481 54.000 0.002 0.000 0.865 686 D CB -0.770 40.031 40.800 0.002 0.000 0.939 686 D HN 0.682 nan 8.370 nan 0.000 0.510 687 L N -0.197 121.027 121.223 0.001 0.000 2.109 687 L HA 0.391 4.731 4.340 0.000 0.000 0.207 687 L C 3.109 179.980 176.870 0.001 0.000 1.086 687 L CA 2.643 57.484 54.840 0.001 0.000 0.760 687 L CB -1.839 40.220 42.059 0.001 0.000 0.910 687 L HN 0.539 nan 8.230 nan 0.000 0.437 688 T N -1.302 113.253 114.554 0.001 0.000 2.985 688 T HA 0.169 4.519 4.350 0.000 0.000 0.266 688 T C 2.069 176.771 174.700 0.002 0.000 1.076 688 T CA 2.182 64.282 62.100 0.001 0.000 1.135 688 T CB -0.428 68.441 68.868 0.002 0.000 0.890 688 T HN 0.765 nan 8.240 nan 0.000 0.480 689 E N 0.424 120.625 120.200 0.002 0.000 2.285 689 E HA 0.374 4.724 4.350 0.000 0.000 0.194 689 E C 2.197 178.799 176.600 0.002 0.000 0.997 689 E CA 1.141 57.543 56.400 0.003 0.000 0.845 689 E CB -1.137 28.564 29.700 0.003 0.000 0.782 689 E HN 0.922 nan 8.360 nan 0.000 0.491 690 I N -0.823 119.748 120.570 0.002 0.000 3.226 690 I HA 0.324 4.494 4.170 0.000 0.000 0.277 690 I C 2.758 178.875 176.117 0.001 0.000 1.243 690 I CA 1.273 62.574 61.300 0.001 0.000 1.459 690 I CB -1.446 36.554 38.000 0.001 0.000 1.093 690 I HN 0.760 nan 8.210 nan 0.000 0.453 691 C N -0.209 119.092 119.300 0.001 0.000 2.485 691 C HA 0.285 4.745 4.460 0.000 0.000 0.278 691 C C 2.939 177.930 174.990 0.001 0.000 1.356 691 C CA 2.018 61.037 59.018 0.001 0.000 1.747 691 C CB -0.966 26.774 27.740 0.001 0.000 2.001 691 C HN 0.721 nan 8.230 nan 0.000 0.501 692 Q N -0.296 119.505 119.800 0.002 0.000 2.250 692 Q HA 0.185 4.525 4.340 0.000 0.000 0.200 692 Q C 2.378 178.380 176.000 0.002 0.000 0.941 692 Q CA 1.939 57.743 55.803 0.002 0.000 0.872 692 Q CB -0.946 27.794 28.738 0.002 0.000 0.965 692 Q HN 0.834 nan 8.270 nan 0.000 0.480 693 R N 0.343 120.844 120.500 0.002 0.000 2.115 693 R HA 0.450 4.790 4.340 0.000 0.000 0.226 693 R C 2.564 178.865 176.300 0.001 0.000 1.100 693 R CA 1.799 57.900 56.100 0.002 0.000 0.980 693 R CB -1.086 29.215 30.300 0.002 0.000 0.875 693 R HN 0.885 nan 8.270 nan 0.000 0.445 694 A N -0.139 122.681 122.820 0.001 0.000 2.016 694 A HA 0.191 4.511 4.320 0.000 0.000 0.217 694 A C 2.809 180.394 177.584 0.001 0.000 1.162 694 A CA 1.242 53.279 52.037 0.001 0.000 0.662 694 A CB -1.095 17.905 19.000 0.000 0.000 0.812 694 A HN 0.913 nan 8.150 nan 0.000 0.450 695 C N -0.198 119.102 119.300 0.001 0.000 2.450 695 C HA 0.296 4.756 4.460 0.000 0.000 0.279 695 C C 2.874 177.865 174.990 0.001 0.000 1.335 695 C CA 2.253 61.271 59.018 0.001 0.000 1.749 695 C CB -0.986 26.754 27.740 0.001 0.000 1.963 695 C HN 0.553 nan 8.230 nan 0.000 0.501 696 K N -0.163 120.238 120.400 0.001 0.000 2.186 696 K HA 0.430 4.750 4.320 0.000 0.000 0.202 696 K C 2.204 178.805 176.600 0.002 0.000 1.052 696 K CA 1.695 57.983 56.287 0.002 0.000 0.965 696 K CB -1.579 30.922 32.500 0.002 0.000 0.746 696 K HN 1.231 nan 8.250 nan 0.000 0.457 697 L N 0.104 121.328 121.223 0.001 0.000 2.156 697 L HA 0.524 4.864 4.340 0.000 0.000 0.208 697 L C 2.878 179.748 176.870 0.001 0.000 1.095 697 L CA 2.195 57.036 54.840 0.001 0.000 0.770 697 L CB -1.573 40.486 42.059 0.000 0.000 0.914 697 L HN 0.629 nan 8.230 nan 0.000 0.439 698 A N -0.408 122.413 122.820 0.001 0.000 2.016 698 A HA 0.238 4.558 4.320 0.000 0.000 0.217 698 A C 2.485 180.069 177.584 0.001 0.000 1.162 698 A CA 1.926 53.964 52.037 0.001 0.000 0.662 698 A CB -0.825 18.175 19.000 0.000 0.000 0.812 698 A HN 1.272 nan 8.150 nan 0.000 0.450 699 I N -0.718 119.852 120.570 0.001 0.000 2.439 699 I HA 0.075 4.245 4.170 0.000 0.000 0.251 699 I C 2.753 178.871 176.117 0.001 0.000 1.139 699 I CA 2.153 63.454 61.300 0.001 0.000 1.438 699 I CB -2.040 35.961 38.000 0.001 0.000 1.085 699 I HN 0.593 nan 8.210 nan 0.000 0.427 700 R N 0.740 121.241 120.500 0.002 0.000 2.148 700 R HA 0.072 4.412 4.340 0.000 0.000 0.223 700 R C 2.256 178.557 176.300 0.002 0.000 1.088 700 R CA 2.154 58.255 56.100 0.002 0.000 0.985 700 R CB -1.775 28.526 30.300 0.002 0.000 0.880 700 R HN 0.940 nan 8.270 nan 0.000 0.451 701 E N 0.406 120.607 120.200 0.001 0.000 2.072 701 E HA 0.246 4.596 4.350 0.000 0.000 0.190 701 E C 1.823 178.424 176.600 0.001 0.000 0.982 701 E CA 0.902 57.303 56.400 0.001 0.000 0.803 701 E CB -0.824 28.877 29.700 0.001 0.000 0.755 701 E HN 0.949 nan 8.360 nan 0.000 0.453 728 V N -0.366 119.548 119.914 0.001 0.000 2.323 728 V HA 0.336 4.456 4.120 0.000 0.000 0.244 728 V C 0.851 176.946 176.094 0.001 0.000 1.041 728 V CA 3.129 65.430 62.300 0.001 0.000 1.025 728 V CB -1.551 30.273 31.823 0.001 0.000 0.656 728 V HN 0.498 nan 8.190 nan 0.000 0.451 729 P HA 0.033 nan 4.420 nan 0.000 0.223 729 P C 1.563 178.864 177.300 0.001 0.000 1.151 729 P CA 2.460 65.561 63.100 0.001 0.000 0.787 729 P CB -0.214 31.487 31.700 0.001 0.000 0.788 730 E N -1.088 119.113 120.200 0.000 0.000 2.107 730 E HA 0.069 4.419 4.350 0.000 0.000 0.191 730 E C 2.094 178.694 176.600 0.000 0.000 0.982 730 E CA 1.572 57.972 56.400 0.000 0.000 0.809 730 E CB -1.685 28.015 29.700 0.000 0.000 0.756 730 E HN 0.463 nan 8.360 nan 0.000 0.459 731 I N 1.106 121.676 120.570 0.000 0.000 2.315 731 I HA 0.190 4.360 4.170 0.000 0.000 0.248 731 I C 2.940 179.057 176.117 -0.000 0.000 1.117 731 I CA 2.593 63.893 61.300 0.000 0.000 1.404 731 I CB -1.825 36.175 38.000 0.000 0.000 1.071 731 I HN 0.661 nan 8.210 nan 0.000 0.419 732 R N 0.581 121.081 120.500 0.000 0.000 2.090 732 R HA 0.035 4.375 4.340 0.000 0.000 0.228 732 R C 2.616 178.916 176.300 -0.000 0.000 1.110 732 R CA 2.075 58.175 56.100 -0.000 0.000 0.973 732 R CB -1.692 28.608 30.300 0.000 0.000 0.869 732 R HN 0.876 nan 8.270 nan 0.000 0.440 733 R N 0.279 120.779 120.500 0.000 0.000 2.189 733 R HA 0.050 4.390 4.340 0.000 0.000 0.218 733 R C 2.188 178.488 176.300 -0.000 0.000 1.074 733 R CA 1.777 57.877 56.100 0.000 0.000 0.991 733 R CB -1.718 28.582 30.300 0.000 0.000 0.883 733 R HN 0.780 nan 8.270 nan 0.000 0.457 734 D N -1.349 119.051 120.400 -0.000 0.000 2.333 734 D HA 0.194 4.834 4.640 0.000 0.000 0.208 734 D C 1.151 177.450 176.300 -0.000 0.000 0.984 734 D CA 0.614 54.614 54.000 -0.000 0.000 0.873 734 D CB -0.726 40.074 40.800 -0.000 0.000 0.935 734 D HN 1.019 nan 8.370 nan 0.000 0.521 735 H N 0.000 119.070 119.070 -0.001 0.000 2.539 735 H HA 0.000 4.556 4.556 0.000 0.000 0.296 735 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 735 H CB 0.000 29.762 29.762 -0.001 0.000 1.292 735 H HN 0.000 nan 8.280 nan 0.000 0.496