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 3nal_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQCTEDH PHFEGLDCEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.233 176.300 -0.112 0.000 1.140 1 M CA 0.000 55.175 55.300 -0.209 0.000 0.988 1 M CB 0.000 32.272 32.600 -0.546 0.000 1.302 2 E N 2.403 122.552 120.200 -0.085 0.000 2.855 2 E HA 0.740 5.089 4.350 -0.002 0.000 0.259 2 E C 1.128 177.711 176.600 -0.027 0.000 1.390 2 E CA 0.877 57.269 56.400 -0.014 0.000 1.069 2 E CB 0.308 30.015 29.700 0.011 0.000 1.172 2 E HN 0.867 nan 8.360 nan 0.000 0.668 3 A N -0.513 122.352 122.820 0.074 0.000 3.367 3 A HA -0.328 3.991 4.320 -0.002 0.000 0.270 3 A C 1.844 179.348 177.584 -0.132 0.000 1.135 3 A CA 2.014 54.061 52.037 0.017 0.000 0.990 3 A CB -2.388 16.567 19.000 -0.075 0.000 1.026 3 A HN 0.817 nan 8.150 nan 0.000 0.763 4 A N -0.017 122.781 122.820 -0.037 0.000 2.042 4 A HA -0.248 4.071 4.320 -0.002 0.000 0.222 4 A C 1.802 179.348 177.584 -0.062 0.000 1.167 4 A CA 2.232 54.237 52.037 -0.053 0.000 0.649 4 A CB -1.105 17.899 19.000 0.007 0.000 0.809 4 A HN 1.567 nan 8.150 nan 0.000 0.457 5 H N -0.393 118.658 119.070 -0.031 0.000 2.462 5 H HA -0.026 4.529 4.556 -0.002 0.000 0.292 5 H C 1.790 177.107 175.328 -0.019 0.000 1.049 5 H CA 1.715 57.748 56.048 -0.025 0.000 1.334 5 H CB -0.676 29.080 29.762 -0.009 0.000 1.404 5 H HN 0.571 nan 8.280 nan 0.000 0.544 6 S N -0.074 115.128 115.700 -0.830 0.000 2.548 6 S HA 0.140 4.608 4.470 -0.002 0.000 0.215 6 S C 0.734 175.192 174.600 -0.237 0.000 0.976 6 S CA -0.559 57.347 58.200 -0.490 0.000 0.908 6 S CB 0.397 63.270 63.200 -0.544 0.000 0.781 6 S HN 0.054 nan 8.310 nan 0.000 0.519 7 K N 2.750 123.029 120.400 -0.201 0.000 2.090 7 K HA 0.447 4.766 4.320 -0.002 0.000 0.249 7 K C 0.475 177.036 176.600 -0.064 0.000 0.995 7 K CA -0.216 56.006 56.287 -0.109 0.000 0.914 7 K CB 1.290 33.733 32.500 -0.095 0.000 1.057 7 K HN 0.407 nan 8.250 nan 0.000 0.462 8 S N -0.775 114.904 115.700 -0.034 0.000 2.652 8 S HA 0.127 4.595 4.470 -0.002 0.000 0.270 8 S C 1.130 175.732 174.600 0.002 0.000 1.243 8 S CA -0.297 57.893 58.200 -0.017 0.000 0.999 8 S CB 1.015 64.208 63.200 -0.011 0.000 0.973 8 S HN 0.462 nan 8.310 nan 0.000 0.544 9 T N 1.935 116.493 114.554 0.006 0.000 2.665 9 T HA -0.133 4.215 4.350 -0.002 0.000 0.268 9 T C 1.503 176.224 174.700 0.035 0.000 1.035 9 T CA 2.343 64.454 62.100 0.019 0.000 1.151 9 T CB -0.621 68.255 68.868 0.013 0.000 0.862 9 T HN 0.782 nan 8.240 nan 0.000 0.438 10 E N 1.010 121.227 120.200 0.029 0.000 2.028 10 E HA -0.087 4.261 4.350 -0.002 0.000 0.191 10 E C 2.293 178.927 176.600 0.056 0.000 0.988 10 E CA 1.086 57.509 56.400 0.038 0.000 0.799 10 E CB -0.213 29.502 29.700 0.024 0.000 0.755 10 E HN 0.562 nan 8.360 nan 0.000 0.447 11 E N -0.222 120.005 120.200 0.045 0.000 2.130 11 E HA -0.223 4.126 4.350 -0.002 0.000 0.196 11 E C 1.967 178.634 176.600 0.111 0.000 0.998 11 E CA 1.327 57.763 56.400 0.060 0.000 0.806 11 E CB -0.204 29.512 29.700 0.027 0.000 0.738 11 E HN 0.291 nan 8.360 nan 0.000 0.459 12 C N 0.167 119.533 119.300 0.110 0.000 2.450 12 C HA -0.025 4.433 4.460 -0.002 0.000 0.279 12 C C 2.463 177.631 174.990 0.296 0.000 1.335 12 C CA 0.251 59.386 59.018 0.195 0.000 1.749 12 C CB -0.711 27.115 27.740 0.143 0.000 1.963 12 C HN 0.392 nan 8.230 nan 0.000 0.501 13 L N 0.702 122.039 121.223 0.190 0.000 2.131 13 L HA -0.040 4.298 4.340 -0.002 0.000 0.206 13 L C 2.826 179.809 176.870 0.188 0.000 1.087 13 L CA 1.273 56.222 54.840 0.182 0.000 0.767 13 L CB -0.645 41.475 42.059 0.103 0.000 0.917 13 L HN 0.303 nan 8.230 nan 0.000 0.441 14 A N -0.340 122.568 122.820 0.147 0.000 1.845 14 A HA -0.300 4.018 4.320 -0.002 0.000 0.215 14 A C 2.170 179.817 177.584 0.106 0.000 1.195 14 A CA 1.609 53.708 52.037 0.105 0.000 0.616 14 A CB -1.106 17.938 19.000 0.075 0.000 0.832 14 A HN 0.413 nan 8.150 nan 0.000 0.443 15 Y N -0.456 119.849 120.300 0.008 0.000 2.029 15 Y HA -0.335 4.214 4.550 -0.003 0.000 0.269 15 Y C 1.950 177.767 175.900 -0.139 0.000 1.201 15 Y CA 2.625 60.660 58.100 -0.108 0.000 1.115 15 Y CB -0.559 37.774 38.460 -0.211 0.000 0.945 15 Y HN 0.279 nan 8.280 nan 0.000 0.497 16 F N -0.048 120.010 119.950 0.180 0.000 2.615 16 F HA 0.197 4.722 4.527 -0.003 0.000 0.297 16 F C 1.775 177.634 175.800 0.098 0.000 1.124 16 F CA 0.956 59.040 58.000 0.139 0.000 1.451 16 F CB -0.495 38.648 39.000 0.238 0.000 1.103 16 F HN 0.183 nan 8.300 nan 0.000 0.569 17 G N 1.686 110.615 108.800 0.216 0.000 2.370 17 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.295 17 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.295 17 G C -0.603 174.389 174.900 0.152 0.000 1.045 17 G CA 0.285 45.467 45.100 0.136 0.000 1.199 17 G HN 0.371 nan 8.290 nan 0.000 0.513 18 V N 0.341 120.347 119.914 0.154 0.000 3.007 18 V HA 0.894 5.012 4.120 -0.002 0.000 0.311 18 V C 0.351 176.487 176.094 0.070 0.000 1.120 18 V CA -0.008 62.354 62.300 0.103 0.000 0.980 18 V CB 2.435 34.320 31.823 0.103 0.000 1.033 18 V HN 1.493 nan 8.190 nan 0.000 0.429 19 S N 3.040 118.765 115.700 0.041 0.000 2.438 19 S HA 0.353 4.821 4.470 -0.002 0.000 0.293 19 S C 0.745 175.355 174.600 0.017 0.000 1.141 19 S CA 0.073 58.288 58.200 0.025 0.000 1.080 19 S CB 1.332 64.538 63.200 0.010 0.000 0.978 19 S HN 0.932 nan 8.310 nan 0.000 0.479 20 E N 2.602 122.811 120.200 0.015 0.000 2.219 20 E HA -0.213 4.135 4.350 -0.002 0.000 0.198 20 E C 1.462 178.050 176.600 -0.020 0.000 0.998 20 E CA 1.830 58.235 56.400 0.008 0.000 0.818 20 E CB -0.217 29.487 29.700 0.007 0.000 0.741 20 E HN 0.957 nan 8.360 nan 0.000 0.477 21 T N -3.351 111.182 114.554 -0.034 0.000 2.976 21 T HA 0.041 4.390 4.350 -0.002 0.000 0.257 21 T C 1.917 176.568 174.700 -0.080 0.000 1.051 21 T CA 1.064 63.119 62.100 -0.075 0.000 1.141 21 T CB 0.035 68.866 68.868 -0.060 0.000 0.881 21 T HN -0.055 nan 8.240 nan 0.000 0.461 22 T N 0.643 115.176 114.554 -0.035 0.000 2.953 22 T HA 0.512 4.860 4.350 -0.002 0.000 0.247 22 T C 0.991 175.699 174.700 0.014 0.000 1.029 22 T CA 0.852 62.941 62.100 -0.019 0.000 1.144 22 T CB -0.568 68.295 68.868 -0.008 0.000 0.870 22 T HN 0.945 nan 8.240 nan 0.000 0.446 23 G N 1.055 109.869 108.800 0.023 0.000 2.690 23 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.686 23 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.686 23 G C -0.637 174.270 174.900 0.011 0.000 1.277 23 G CA -0.987 44.137 45.100 0.040 0.000 0.799 23 G HN 0.460 nan 8.290 nan 0.000 0.613 24 L N 0.891 122.107 121.223 -0.011 0.000 2.536 24 L HA 0.256 4.595 4.340 -0.002 0.000 0.294 24 L C 1.872 178.717 176.870 -0.042 0.000 1.257 24 L CA 0.825 55.635 54.840 -0.050 0.000 0.850 24 L CB 0.020 42.013 42.059 -0.111 0.000 1.105 24 L HN 1.015 nan 8.230 nan 0.000 0.517 25 T N -1.478 113.043 114.554 -0.056 0.000 2.912 25 T HA 0.329 4.677 4.350 -0.002 0.000 0.280 25 T C -1.920 172.750 174.700 -0.049 0.000 0.989 25 T CA -1.815 60.262 62.100 -0.037 0.000 0.995 25 T CB 1.427 70.279 68.868 -0.028 0.000 1.077 25 T HN 0.378 nan 8.240 nan 0.000 0.531 26 P HA -0.024 nan 4.420 nan 0.000 0.218 26 P C 0.926 178.207 177.300 -0.032 0.000 1.149 26 P CA 0.985 64.069 63.100 -0.026 0.000 0.817 26 P CB -0.038 31.655 31.700 -0.011 0.000 0.785 27 D N -0.870 119.512 120.400 -0.031 0.000 2.224 27 D HA -0.132 4.507 4.640 -0.002 0.000 0.205 27 D C 2.018 178.289 176.300 -0.048 0.000 0.965 27 D CA 0.975 54.959 54.000 -0.026 0.000 0.852 27 D CB -0.231 40.560 40.800 -0.014 0.000 0.947 27 D HN 0.119 nan 8.370 nan 0.000 0.494 28 Q N -0.625 119.114 119.800 -0.101 0.000 2.163 28 Q HA -0.023 4.315 4.340 -0.002 0.000 0.198 28 Q C 2.237 178.033 176.000 -0.340 0.000 0.954 28 Q CA 0.598 56.259 55.803 -0.237 0.000 0.851 28 Q CB 0.358 28.925 28.738 -0.285 0.000 0.928 28 Q HN 0.200 nan 8.270 nan 0.000 0.459 29 V N 1.537 121.338 119.914 -0.189 0.000 2.223 29 V HA -0.300 3.818 4.120 -0.002 0.000 0.244 29 V C 2.248 178.330 176.094 -0.020 0.000 1.045 29 V CA 2.036 64.273 62.300 -0.104 0.000 1.000 29 V CB -0.537 31.254 31.823 -0.052 0.000 0.635 29 V HN 0.317 nan 8.190 nan 0.000 0.445 30 K N -0.203 120.190 120.400 -0.012 0.000 2.211 30 K HA -0.226 4.093 4.320 -0.002 0.000 0.204 30 K C 2.338 178.957 176.600 0.031 0.000 1.047 30 K CA 1.564 57.857 56.287 0.009 0.000 0.935 30 K CB -0.080 32.424 32.500 0.006 0.000 0.728 30 K HN 0.338 nan 8.250 nan 0.000 0.452 31 R N -0.522 120.006 120.500 0.047 0.000 2.075 31 R HA -0.076 4.262 4.340 -0.002 0.000 0.226 31 R C 1.943 178.346 176.300 0.171 0.000 1.114 31 R CA 1.349 57.503 56.100 0.089 0.000 0.972 31 R CB -0.166 30.196 30.300 0.104 0.000 0.869 31 R HN 0.434 nan 8.270 nan 0.000 0.437 32 H N -0.327 118.784 119.070 0.068 0.000 2.423 32 H HA -0.122 4.433 4.556 -0.003 0.000 0.297 32 H C 1.984 177.394 175.328 0.137 0.000 1.075 32 H CA 1.071 57.224 56.048 0.174 0.000 1.342 32 H CB 0.223 30.162 29.762 0.296 0.000 1.395 32 H HN 0.150 nan 8.280 nan 0.000 0.530 33 L N 1.428 122.757 121.223 0.176 0.000 2.201 33 L HA -0.117 4.222 4.340 -0.002 0.000 0.212 33 L C 1.964 178.812 176.870 -0.037 0.000 1.105 33 L CA 1.515 56.369 54.840 0.022 0.000 0.775 33 L CB -0.036 41.979 42.059 -0.073 0.000 0.913 33 L HN 0.082 nan 8.230 nan 0.000 0.440 34 E N -0.708 119.482 120.200 -0.017 0.000 2.489 34 E HA -0.121 4.227 4.350 -0.002 0.000 0.193 34 E C 1.910 178.462 176.600 -0.080 0.000 1.057 34 E CA 0.576 56.953 56.400 -0.038 0.000 0.866 34 E CB 0.020 29.708 29.700 -0.020 0.000 0.916 34 E HN 0.524 nan 8.360 nan 0.000 0.500 35 K N -1.416 118.896 120.400 -0.147 0.000 2.387 35 K HA 0.046 4.365 4.320 -0.002 0.000 0.197 35 K C 0.506 176.869 176.600 -0.395 0.000 1.127 35 K CA 0.269 56.349 56.287 -0.345 0.000 0.950 35 K CB 0.205 32.343 32.500 -0.604 0.000 1.017 35 K HN 0.080 nan 8.250 nan 0.000 0.519 36 Y N 0.248 120.556 120.300 0.013 0.000 2.444 36 Y HA 0.327 4.876 4.550 -0.003 0.000 0.249 36 Y C 0.923 176.825 175.900 0.003 0.000 1.134 36 Y CA 0.134 58.246 58.100 0.020 0.000 1.261 36 Y CB 0.889 39.374 38.460 0.042 0.000 1.143 36 Y HN 0.259 nan 8.280 nan 0.000 0.523 37 G N 0.315 109.159 108.800 0.073 0.000 2.752 37 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.234 37 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.234 37 G C -0.776 174.089 174.900 -0.058 0.000 1.367 37 G CA -0.436 44.667 45.100 0.005 0.000 0.879 37 G HN 0.436 nan 8.290 nan 0.000 0.563 38 H N -0.288 118.830 119.070 0.081 0.000 2.547 38 H HA 0.450 5.005 4.556 -0.002 0.000 0.362 38 H C 0.919 176.284 175.328 0.062 0.000 1.181 38 H CA 0.378 56.466 56.048 0.067 0.000 1.376 38 H CB 0.721 30.511 29.762 0.047 0.000 1.488 38 H HN 0.592 nan 8.280 nan 0.000 0.583 39 N N 2.242 121.045 118.700 0.173 0.000 2.807 39 N HA 0.052 4.790 4.740 -0.002 0.000 0.259 39 N C -1.345 174.223 175.510 0.097 0.000 1.149 39 N CA -0.274 52.839 53.050 0.104 0.000 1.042 39 N CB -0.268 38.260 38.487 0.068 0.000 1.367 39 N HN 0.739 nan 8.380 nan 0.000 0.516 40 E N 1.595 121.851 120.200 0.093 0.000 2.389 40 E HA 0.171 4.520 4.350 -0.002 0.000 0.281 40 E C -1.452 175.186 176.600 0.063 0.000 1.072 40 E CA -0.835 55.606 56.400 0.070 0.000 0.845 40 E CB 0.332 30.069 29.700 0.060 0.000 1.239 40 E HN 0.093 nan 8.360 nan 0.000 0.434 41 L N 1.568 122.821 121.223 0.050 0.000 2.395 41 L HA 0.422 4.761 4.340 -0.002 0.000 0.269 41 L C -1.983 174.909 176.870 0.036 0.000 1.133 41 L CA -1.901 52.965 54.840 0.043 0.000 0.812 41 L CB 0.165 42.248 42.059 0.040 0.000 1.125 41 L HN 0.458 nan 8.230 nan 0.000 0.452 42 P HA -0.039 nan 4.420 nan 0.000 0.269 42 P C -0.240 177.071 177.300 0.019 0.000 1.205 42 P CA 0.021 63.138 63.100 0.028 0.000 0.780 42 P CB 0.479 32.195 31.700 0.027 0.000 0.858 43 A N 1.741 124.570 122.820 0.015 0.000 2.238 43 A HA 0.102 4.420 4.320 -0.002 0.000 0.276 43 A C 0.325 177.914 177.584 0.008 0.000 1.464 43 A CA 0.594 52.636 52.037 0.008 0.000 0.835 43 A CB -0.510 18.493 19.000 0.005 0.000 1.277 43 A HN 0.552 nan 8.150 nan 0.000 0.534 44 E N -0.402 119.802 120.200 0.005 0.000 2.239 44 E HA 0.419 4.768 4.350 -0.002 0.000 0.261 44 E C -0.466 176.138 176.600 0.006 0.000 1.016 44 E CA -0.429 55.974 56.400 0.004 0.000 0.882 44 E CB 0.552 30.253 29.700 0.001 0.000 1.190 44 E HN 0.630 nan 8.360 nan 0.000 0.415 45 E N -0.098 120.105 120.200 0.005 0.000 2.265 45 E HA 0.331 4.679 4.350 -0.002 0.000 0.272 45 E C -0.147 176.459 176.600 0.010 0.000 1.067 45 E CA -0.529 55.875 56.400 0.007 0.000 0.900 45 E CB 0.386 30.089 29.700 0.004 0.000 1.017 45 E HN 0.492 nan 8.360 nan 0.000 0.431 46 G N 4.366 113.176 108.800 0.015 0.000 2.396 46 G HA2 0.178 4.136 3.960 -0.002 0.000 0.292 46 G HA3 0.178 4.136 3.960 -0.002 0.000 0.292 46 G C -0.637 174.280 174.900 0.028 0.000 1.106 46 G CA -0.611 44.501 45.100 0.021 0.000 1.055 46 G HN 0.470 nan 8.290 nan 0.000 0.424 47 K N 1.594 122.011 120.400 0.028 0.000 2.427 47 K HA 0.562 4.880 4.320 -0.002 0.000 0.252 47 K C -0.507 176.121 176.600 0.046 0.000 0.931 47 K CA -0.689 55.618 56.287 0.035 0.000 0.793 47 K CB 2.298 34.809 32.500 0.019 0.000 1.211 47 K HN 0.579 nan 8.250 nan 0.000 0.426 48 S N 1.419 117.163 115.700 0.073 0.000 2.677 48 S HA 0.417 4.885 4.470 -0.002 0.000 0.304 48 S C 1.151 175.813 174.600 0.104 0.000 1.108 48 S CA -1.000 57.255 58.200 0.091 0.000 0.944 48 S CB 0.876 64.149 63.200 0.121 0.000 1.127 48 S HN 0.562 nan 8.310 nan 0.000 0.511 49 L N 0.407 121.695 121.223 0.108 0.000 1.991 49 L HA -0.190 4.149 4.340 -0.002 0.000 0.221 49 L C 2.471 179.428 176.870 0.145 0.000 1.079 49 L CA 2.364 57.270 54.840 0.110 0.000 0.778 49 L CB -0.517 41.610 42.059 0.113 0.000 0.893 49 L HN 0.835 nan 8.230 nan 0.000 0.437 50 W N 1.547 122.846 121.300 -0.002 0.000 2.290 50 W HA -0.303 4.355 4.660 -0.003 0.000 0.328 50 W C 2.302 178.821 176.519 0.000 0.000 1.272 50 W CA 2.373 59.711 57.345 -0.010 0.000 1.262 50 W CB -0.193 29.259 29.460 -0.014 0.000 1.151 50 W HN 0.284 nan 8.180 nan 0.000 0.473 51 E N 0.262 120.490 120.200 0.046 0.000 2.028 51 E HA -0.267 4.082 4.350 -0.002 0.000 0.191 51 E C 2.067 178.622 176.600 -0.075 0.000 0.988 51 E CA 1.484 57.840 56.400 -0.073 0.000 0.799 51 E CB -0.812 28.914 29.700 0.045 0.000 0.755 51 E HN 0.192 nan 8.360 nan 0.000 0.447 52 L N 1.206 122.424 121.223 -0.008 0.000 1.970 52 L HA -0.189 4.150 4.340 -0.002 0.000 0.212 52 L C 2.322 179.189 176.870 -0.004 0.000 1.071 52 L CA 1.573 56.413 54.840 0.000 0.000 0.751 52 L CB -0.550 41.524 42.059 0.025 0.000 0.889 52 L HN -0.045 nan 8.230 nan 0.000 0.432 53 V N -0.048 119.865 119.914 -0.001 0.000 2.392 53 V HA -0.312 3.806 4.120 -0.002 0.000 0.249 53 V C 2.560 178.659 176.094 0.009 0.000 1.059 53 V CA 1.526 63.843 62.300 0.027 0.000 1.051 53 V CB -0.652 31.177 31.823 0.010 0.000 0.658 53 V HN 0.390 nan 8.190 nan 0.000 0.455 54 I N 0.282 120.750 120.570 -0.169 0.000 2.044 54 I HA -0.312 3.856 4.170 -0.002 0.000 0.234 54 I C 2.559 178.665 176.117 -0.017 0.000 1.031 54 I CA 1.909 63.084 61.300 -0.208 0.000 1.305 54 I CB -1.538 36.249 38.000 -0.356 0.000 1.026 54 I HN 0.452 nan 8.210 nan 0.000 0.392 55 E N 0.275 120.451 120.200 -0.039 0.000 2.200 55 E HA -0.305 4.043 4.350 -0.002 0.000 0.211 55 E C 1.904 178.514 176.600 0.017 0.000 1.048 55 E CA 1.516 57.910 56.400 -0.010 0.000 0.851 55 E CB -0.270 29.420 29.700 -0.017 0.000 0.747 55 E HN 0.524 nan 8.360 nan 0.000 0.462 56 Q N -0.978 118.852 119.800 0.050 0.000 2.522 56 Q HA -0.129 4.210 4.340 -0.002 0.000 0.216 56 Q C 0.654 176.545 176.000 -0.181 0.000 0.986 56 Q CA 1.067 56.859 55.803 -0.018 0.000 0.901 56 Q CB 0.001 28.776 28.738 0.060 0.000 0.954 56 Q HN 0.341 nan 8.270 nan 0.000 0.502 57 F N -0.993 118.912 119.950 -0.076 0.000 2.815 57 F HA 0.218 4.743 4.527 -0.003 0.000 0.323 57 F C 1.325 177.084 175.800 -0.068 0.000 1.151 57 F CA -0.275 57.682 58.000 -0.072 0.000 1.191 57 F CB 0.874 39.819 39.000 -0.091 0.000 1.069 57 F HN -0.139 nan 8.300 nan 0.000 0.514 58 E N -0.177 120.051 120.200 0.047 0.000 2.166 58 E HA -0.023 4.326 4.350 -0.002 0.000 0.192 58 E C 0.434 177.035 176.600 0.002 0.000 0.967 58 E CA 0.382 56.792 56.400 0.017 0.000 0.840 58 E CB -0.095 29.604 29.700 -0.002 0.000 0.795 58 E HN 0.167 nan 8.360 nan 0.000 0.470 59 D N 1.037 121.425 120.400 -0.019 0.000 2.533 59 D HA -0.118 4.520 4.640 -0.002 0.000 0.236 59 D C 1.328 177.624 176.300 -0.008 0.000 1.137 59 D CA -0.031 53.959 54.000 -0.018 0.000 0.867 59 D CB 0.799 41.576 40.800 -0.039 0.000 1.170 59 D HN -0.125 nan 8.370 nan 0.000 0.474 60 L N 5.241 126.466 121.223 0.004 0.000 2.013 60 L HA -0.205 4.133 4.340 -0.002 0.000 0.212 60 L C 2.082 178.956 176.870 0.007 0.000 1.073 60 L CA 1.686 56.530 54.840 0.006 0.000 0.753 60 L CB -0.594 41.467 42.059 0.003 0.000 0.890 60 L HN 0.635 nan 8.230 nan 0.000 0.432 61 L N -1.887 119.345 121.223 0.015 0.000 1.990 61 L HA -0.263 4.076 4.340 -0.002 0.000 0.213 61 L C 2.437 179.302 176.870 -0.009 0.000 1.072 61 L CA 1.515 56.366 54.840 0.018 0.000 0.755 61 L CB -1.062 41.022 42.059 0.042 0.000 0.889 61 L HN 0.125 nan 8.230 nan 0.000 0.432 62 V N -0.113 119.774 119.914 -0.044 0.000 2.332 62 V HA -0.305 3.813 4.120 -0.002 0.000 0.248 62 V C 2.667 178.749 176.094 -0.020 0.000 1.055 62 V CA 1.852 64.097 62.300 -0.093 0.000 1.038 62 V CB -0.759 30.938 31.823 -0.209 0.000 0.651 62 V HN 0.414 nan 8.190 nan 0.000 0.450 63 R N -0.192 120.315 120.500 0.012 0.000 2.080 63 R HA -0.123 4.216 4.340 -0.002 0.000 0.236 63 R C 2.303 178.630 176.300 0.044 0.000 1.137 63 R CA 1.951 58.081 56.100 0.050 0.000 0.943 63 R CB -0.535 29.787 30.300 0.037 0.000 0.846 63 R HN 0.422 nan 8.270 nan 0.000 0.431 64 I N 1.057 121.643 120.570 0.027 0.000 2.194 64 I HA -0.342 3.826 4.170 -0.002 0.000 0.246 64 I C 2.358 178.498 176.117 0.038 0.000 1.093 64 I CA 1.451 62.769 61.300 0.029 0.000 1.355 64 I CB -0.398 37.613 38.000 0.018 0.000 1.046 64 I HN 0.207 nan 8.210 nan 0.000 0.413 65 L N -0.247 120.994 121.223 0.030 0.000 2.027 65 L HA -0.218 4.121 4.340 -0.002 0.000 0.206 65 L C 2.632 179.535 176.870 0.054 0.000 1.074 65 L CA 0.969 55.829 54.840 0.034 0.000 0.745 65 L CB -0.581 41.482 42.059 0.007 0.000 0.898 65 L HN 0.281 nan 8.230 nan 0.000 0.433 66 L N 0.248 121.515 121.223 0.072 0.000 2.043 66 L HA -0.256 4.083 4.340 -0.002 0.000 0.212 66 L C 2.391 179.308 176.870 0.078 0.000 1.075 66 L CA 1.750 56.653 54.840 0.105 0.000 0.752 66 L CB -0.671 41.491 42.059 0.172 0.000 0.891 66 L HN 0.177 nan 8.230 nan 0.000 0.432 67 L N 0.027 121.293 121.223 0.072 0.000 1.970 67 L HA -0.112 4.226 4.340 -0.002 0.000 0.212 67 L C 2.531 179.453 176.870 0.086 0.000 1.071 67 L CA 2.398 57.281 54.840 0.071 0.000 0.751 67 L CB -1.477 40.621 42.059 0.065 0.000 0.889 67 L HN 0.260 nan 8.230 nan 0.000 0.432 68 A N -0.146 122.725 122.820 0.084 0.000 1.917 68 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 68 A C 2.494 180.145 177.584 0.111 0.000 1.182 68 A CA 2.382 54.477 52.037 0.098 0.000 0.633 68 A CB -1.428 17.620 19.000 0.081 0.000 0.819 68 A HN 0.706 nan 8.150 nan 0.000 0.448 69 A N -1.048 121.830 122.820 0.096 0.000 1.948 69 A HA -0.205 4.114 4.320 -0.002 0.000 0.220 69 A C 2.322 179.993 177.584 0.145 0.000 1.177 69 A CA 1.852 53.950 52.037 0.103 0.000 0.636 69 A CB -1.263 17.775 19.000 0.063 0.000 0.815 69 A HN 0.640 nan 8.150 nan 0.000 0.449 70 C N -0.759 118.618 119.300 0.128 0.000 2.496 70 C HA -0.034 4.425 4.460 -0.002 0.000 0.281 70 C C 2.501 177.618 174.990 0.213 0.000 1.250 70 C CA 0.807 59.927 59.018 0.171 0.000 1.717 70 C CB -1.411 26.393 27.740 0.108 0.000 2.082 70 C HN 0.646 nan 8.230 nan 0.000 0.472 71 I N 1.327 121.988 120.570 0.152 0.000 2.143 71 I HA -0.311 3.858 4.170 -0.002 0.000 0.245 71 I C 2.739 178.947 176.117 0.152 0.000 1.068 71 I CA 2.147 63.524 61.300 0.129 0.000 1.326 71 I CB -0.753 37.346 38.000 0.165 0.000 1.028 71 I HN 0.423 nan 8.210 nan 0.000 0.412 72 S N 0.801 116.610 115.700 0.182 0.000 2.359 72 S HA -0.279 4.190 4.470 -0.002 0.000 0.223 72 S C 2.087 176.840 174.600 0.255 0.000 1.039 72 S CA 1.845 60.166 58.200 0.200 0.000 1.042 72 S CB -0.575 62.740 63.200 0.191 0.000 0.915 72 S HN 0.463 nan 8.310 nan 0.000 0.439 73 F N 2.163 122.197 119.950 0.140 0.000 2.120 73 F HA -0.099 4.426 4.527 -0.002 0.000 0.300 73 F C 2.068 178.040 175.800 0.288 0.000 1.095 73 F CA 1.754 59.851 58.000 0.161 0.000 1.249 73 F CB -0.813 38.206 39.000 0.032 0.000 0.995 73 F HN 0.102 nan 8.300 nan 0.000 0.480 74 V N 1.080 121.034 119.914 0.068 0.000 2.223 74 V HA -0.332 3.786 4.120 -0.002 0.000 0.244 74 V C 2.562 178.680 176.094 0.039 0.000 1.045 74 V CA 2.256 64.546 62.300 -0.017 0.000 1.000 74 V CB -0.862 30.945 31.823 -0.027 0.000 0.635 74 V HN 0.403 nan 8.190 nan 0.000 0.445 75 L N 0.222 121.483 121.223 0.064 0.000 2.012 75 L HA -0.213 4.125 4.340 -0.002 0.000 0.210 75 L C 2.768 179.744 176.870 0.176 0.000 1.073 75 L CA 1.778 56.702 54.840 0.140 0.000 0.748 75 L CB -1.065 41.076 42.059 0.138 0.000 0.891 75 L HN 0.393 nan 8.230 nan 0.000 0.431 76 A N -0.962 121.979 122.820 0.202 0.000 2.042 76 A HA -0.266 4.052 4.320 -0.002 0.000 0.222 76 A C 1.588 179.258 177.584 0.143 0.000 1.167 76 A CA 1.732 53.919 52.037 0.249 0.000 0.649 76 A CB -0.784 18.517 19.000 0.503 0.000 0.809 76 A HN 0.694 nan 8.150 nan 0.000 0.457 77 W N -1.650 119.649 121.300 -0.002 0.000 1.931 77 W HA 0.563 5.221 4.660 -0.002 0.000 0.346 77 W C -0.547 175.994 176.519 0.038 0.000 0.775 77 W CA -1.105 56.165 57.345 -0.126 0.000 2.738 77 W CB 0.383 29.848 29.460 0.007 0.000 1.908 77 W HN 0.135 nan 8.180 nan 0.000 0.665 78 F N 2.380 122.144 119.950 -0.310 0.000 2.496 78 F HA 0.215 4.740 4.527 -0.002 0.000 0.373 78 F C -0.254 175.406 175.800 -0.234 0.000 1.379 78 F CA -0.415 57.373 58.000 -0.353 0.000 1.066 78 F CB -0.506 38.364 39.000 -0.216 0.000 1.338 78 F HN 0.157 nan 8.300 nan 0.000 0.505 79 E N -1.454 118.567 120.200 -0.298 0.000 2.437 79 E HA 0.415 4.763 4.350 -0.002 0.000 0.253 79 E C -0.772 175.670 176.600 -0.265 0.000 0.905 79 E CA -1.099 55.145 56.400 -0.260 0.000 0.871 79 E CB 0.505 30.140 29.700 -0.109 0.000 1.649 79 E HN -0.175 nan 8.360 nan 0.000 0.422 80 E N 0.276 120.363 120.200 -0.187 0.000 2.864 80 E HA -0.129 4.219 4.350 -0.002 0.000 0.285 80 E C 1.215 177.714 176.600 -0.169 0.000 0.965 80 E CA 1.056 57.361 56.400 -0.158 0.000 0.985 80 E CB 0.165 29.804 29.700 -0.103 0.000 1.000 80 E HN 0.785 nan 8.360 nan 0.000 0.475 81 G N 1.693 110.404 108.800 -0.148 0.000 2.475 81 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.220 81 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.220 81 G C 0.971 175.804 174.900 -0.113 0.000 1.125 81 G CA 1.376 46.395 45.100 -0.134 0.000 0.755 81 G HN 0.487 nan 8.290 nan 0.000 0.565 82 E N -1.436 118.707 120.200 -0.096 0.000 2.749 82 E HA 0.081 4.430 4.350 -0.002 0.000 0.157 82 E C 1.191 177.750 176.600 -0.067 0.000 0.887 82 E CA 0.113 56.465 56.400 -0.080 0.000 1.369 82 E CB -0.579 29.086 29.700 -0.060 0.000 1.005 82 E HN 0.076 nan 8.360 nan 0.000 0.469 83 E N 0.522 120.680 120.200 -0.070 0.000 2.233 83 E HA -0.119 4.229 4.350 -0.002 0.000 0.199 83 E C -0.023 176.551 176.600 -0.043 0.000 1.004 83 E CA 1.991 58.360 56.400 -0.051 0.000 0.819 83 E CB 0.083 29.754 29.700 -0.048 0.000 0.738 83 E HN 0.237 nan 8.360 nan 0.000 0.478 84 T N -3.042 111.480 114.554 -0.055 0.000 4.024 84 T HA 0.095 4.443 4.350 -0.002 0.000 0.193 84 T C 0.583 175.245 174.700 -0.065 0.000 0.697 84 T CA 0.029 62.101 62.100 -0.047 0.000 1.393 84 T CB -1.150 67.699 68.868 -0.032 0.000 0.962 84 T HN 0.031 nan 8.240 nan 0.000 0.583 85 I N 2.737 123.262 120.570 -0.075 0.000 2.285 85 I HA -0.250 3.919 4.170 -0.002 0.000 0.254 85 I C 2.538 178.606 176.117 -0.081 0.000 1.093 85 I CA 2.730 63.971 61.300 -0.098 0.000 1.368 85 I CB -0.266 37.694 38.000 -0.066 0.000 1.054 85 I HN 0.843 nan 8.210 nan 0.000 0.435 86 T N -1.406 113.123 114.554 -0.041 0.000 3.179 86 T HA -0.095 4.254 4.350 -0.002 0.000 0.269 86 T C 1.712 176.424 174.700 0.021 0.000 1.187 86 T CA 0.788 62.881 62.100 -0.011 0.000 1.054 86 T CB -1.075 67.773 68.868 -0.033 0.000 0.874 86 T HN 0.458 nan 8.240 nan 0.000 0.568 87 A N 0.471 123.282 122.820 -0.015 0.000 2.070 87 A HA 0.159 4.477 4.320 -0.002 0.000 0.220 87 A C 1.713 179.425 177.584 0.212 0.000 1.159 87 A CA 0.706 52.755 52.037 0.020 0.000 0.656 87 A CB -0.725 18.213 19.000 -0.103 0.000 0.800 87 A HN 0.564 nan 8.150 nan 0.000 0.453 88 F N -0.499 119.495 119.950 0.072 0.000 2.698 88 F HA 0.021 4.547 4.527 -0.002 0.000 0.295 88 F C 2.309 178.185 175.800 0.127 0.000 1.124 88 F CA 0.361 58.429 58.000 0.114 0.000 1.426 88 F CB -0.464 38.594 39.000 0.096 0.000 1.120 88 F HN 0.159 nan 8.300 nan 0.000 0.583 89 V N -1.827 118.235 119.914 0.248 0.000 3.026 89 V HA -0.185 3.934 4.120 -0.002 0.000 0.265 89 V C 1.878 178.081 176.094 0.181 0.000 1.121 89 V CA 1.878 64.282 62.300 0.175 0.000 1.142 89 V CB -0.834 31.011 31.823 0.036 0.000 0.730 89 V HN 0.389 nan 8.190 nan 0.000 0.503 90 E N 1.928 122.240 120.200 0.187 0.000 2.014 90 E HA -0.055 4.293 4.350 -0.002 0.000 0.190 90 E C 0.060 176.771 176.600 0.185 0.000 0.980 90 E CA 1.198 57.692 56.400 0.158 0.000 0.807 90 E CB -0.675 29.114 29.700 0.148 0.000 0.770 90 E HN 0.550 nan 8.360 nan 0.000 0.451 91 P HA -0.167 nan 4.420 nan 0.000 0.218 91 P C 1.450 178.849 177.300 0.165 0.000 1.149 91 P CA 1.032 64.256 63.100 0.206 0.000 0.817 91 P CB -0.249 31.625 31.700 0.289 0.000 0.785 92 F N 1.372 121.349 119.950 0.044 0.000 2.095 92 F HA -0.182 4.343 4.527 -0.002 0.000 0.298 92 F C 2.173 177.988 175.800 0.024 0.000 1.104 92 F CA 1.355 59.359 58.000 0.008 0.000 1.232 92 F CB -0.986 38.024 39.000 0.016 0.000 0.987 92 F HN -0.314 nan 8.300 nan 0.000 0.475 93 V N 0.879 120.839 119.914 0.076 0.000 2.295 93 V HA -0.328 3.790 4.120 -0.002 0.000 0.246 93 V C 2.471 178.522 176.094 -0.071 0.000 1.049 93 V CA 2.156 64.445 62.300 -0.018 0.000 1.024 93 V CB -0.702 31.176 31.823 0.092 0.000 0.648 93 V HN 0.365 nan 8.190 nan 0.000 0.447 94 I N -0.388 120.174 120.570 -0.012 0.000 2.163 94 I HA -0.302 3.867 4.170 -0.002 0.000 0.243 94 I C 2.403 178.483 176.117 -0.062 0.000 1.085 94 I CA 1.744 63.036 61.300 -0.013 0.000 1.347 94 I CB -0.434 37.585 38.000 0.031 0.000 1.044 94 I HN 0.262 nan 8.210 nan 0.000 0.408 95 L N 0.142 121.304 121.223 -0.103 0.000 2.012 95 L HA -0.254 4.084 4.340 -0.002 0.000 0.210 95 L C 2.608 179.367 176.870 -0.184 0.000 1.073 95 L CA 1.412 56.175 54.840 -0.129 0.000 0.748 95 L CB -0.580 41.372 42.059 -0.178 0.000 0.891 95 L HN 0.294 nan 8.230 nan 0.000 0.431 96 L N -0.660 120.364 121.223 -0.331 0.000 2.079 96 L HA -0.272 4.067 4.340 -0.002 0.000 0.210 96 L C 2.588 179.368 176.870 -0.149 0.000 1.081 96 L CA 0.999 55.662 54.840 -0.295 0.000 0.752 96 L CB -0.346 41.489 42.059 -0.374 0.000 0.896 96 L HN 0.255 nan 8.230 nan 0.000 0.433 97 I N -0.055 120.445 120.570 -0.117 0.000 2.058 97 I HA -0.319 3.850 4.170 -0.002 0.000 0.235 97 I C 2.544 178.603 176.117 -0.097 0.000 1.053 97 I CA 1.686 62.935 61.300 -0.085 0.000 1.313 97 I CB -1.193 36.770 38.000 -0.063 0.000 1.039 97 I HN 0.217 nan 8.210 nan 0.000 0.396 98 L N 0.128 121.293 121.223 -0.097 0.000 1.990 98 L HA -0.272 4.067 4.340 -0.002 0.000 0.213 98 L C 2.619 179.433 176.870 -0.093 0.000 1.072 98 L CA 1.327 56.076 54.840 -0.153 0.000 0.755 98 L CB -0.816 41.208 42.059 -0.058 0.000 0.889 98 L HN 0.197 nan 8.230 nan 0.000 0.432 99 I N 0.602 121.180 120.570 0.012 0.000 2.163 99 I HA -0.283 3.886 4.170 -0.002 0.000 0.243 99 I C 2.916 179.032 176.117 -0.002 0.000 1.085 99 I CA 1.848 63.179 61.300 0.052 0.000 1.347 99 I CB -1.611 36.384 38.000 -0.008 0.000 1.044 99 I HN 0.217 nan 8.210 nan 0.000 0.408 100 A N 1.860 124.651 122.820 -0.048 0.000 1.902 100 A HA -0.247 4.071 4.320 -0.002 0.000 0.217 100 A C 1.986 179.537 177.584 -0.053 0.000 1.181 100 A CA 2.119 54.126 52.037 -0.051 0.000 0.623 100 A CB -1.033 17.929 19.000 -0.064 0.000 0.818 100 A HN 0.629 nan 8.150 nan 0.000 0.443 101 N N 0.676 119.326 118.700 -0.083 0.000 2.309 101 N HA 0.032 4.770 4.740 -0.002 0.000 0.182 101 N C 1.476 176.937 175.510 -0.080 0.000 1.018 101 N CA 1.964 54.958 53.050 -0.093 0.000 0.876 101 N CB -0.601 37.805 38.487 -0.136 0.000 0.972 101 N HN 0.343 nan 8.380 nan 0.000 0.434 102 A N 1.307 124.080 122.820 -0.078 0.000 1.872 102 A HA 0.071 4.390 4.320 -0.002 0.000 0.214 102 A C 2.108 179.723 177.584 0.051 0.000 1.187 102 A CA 1.126 53.159 52.037 -0.007 0.000 0.614 102 A CB -0.545 18.539 19.000 0.140 0.000 0.826 102 A HN 0.257 nan 8.150 nan 0.000 0.442 103 I N 0.255 120.855 120.570 0.050 0.000 2.530 103 I HA -0.174 3.994 4.170 -0.002 0.000 0.257 103 I C 2.292 178.463 176.117 0.090 0.000 1.179 103 I CA 1.056 62.395 61.300 0.066 0.000 1.440 103 I CB -1.425 36.590 38.000 0.026 0.000 1.087 103 I HN 0.121 nan 8.210 nan 0.000 0.440 104 V N 1.074 121.022 119.914 0.057 0.000 2.300 104 V HA -0.047 4.072 4.120 -0.002 0.000 0.241 104 V C 2.730 178.902 176.094 0.130 0.000 1.034 104 V CA 1.804 64.157 62.300 0.088 0.000 1.021 104 V CB -1.241 30.598 31.823 0.027 0.000 0.662 104 V HN 0.436 nan 8.190 nan 0.000 0.458 105 G N -0.116 108.723 108.800 0.065 0.000 2.529 105 G HA2 -0.302 3.656 3.960 -0.002 0.000 0.219 105 G HA3 -0.302 3.656 3.960 -0.002 0.000 0.219 105 G C 1.812 176.760 174.900 0.078 0.000 1.177 105 G CA 1.576 46.709 45.100 0.053 0.000 0.773 105 G HN 0.361 nan 8.290 nan 0.000 0.573 106 V N -0.179 119.793 119.914 0.097 0.000 2.223 106 V HA -0.145 3.973 4.120 -0.002 0.000 0.244 106 V C 2.259 178.428 176.094 0.125 0.000 1.045 106 V CA 2.473 64.832 62.300 0.098 0.000 1.000 106 V CB -0.586 31.302 31.823 0.109 0.000 0.635 106 V HN 0.598 nan 8.190 nan 0.000 0.445 107 W N 0.624 121.926 121.300 0.004 0.000 2.325 107 W HA -0.282 4.377 4.660 -0.002 0.000 0.299 107 W C 2.577 179.096 176.519 -0.000 0.000 1.215 107 W CA 2.568 59.914 57.345 0.003 0.000 1.244 107 W CB -0.328 29.132 29.460 0.001 0.000 1.140 107 W HN 0.453 nan 8.180 nan 0.000 0.523 108 Q N 0.171 120.096 119.800 0.208 0.000 1.956 108 Q HA -0.343 3.995 4.340 -0.002 0.000 0.208 108 Q C 2.331 178.270 176.000 -0.102 0.000 0.998 108 Q CA 2.458 58.300 55.803 0.064 0.000 0.855 108 Q CB -0.702 28.107 28.738 0.117 0.000 0.928 108 Q HN 0.476 nan 8.270 nan 0.000 0.418 109 E N 0.023 120.194 120.200 -0.049 0.000 2.118 109 E HA -0.266 4.083 4.350 -0.002 0.000 0.195 109 E C 2.112 178.644 176.600 -0.113 0.000 0.992 109 E CA 1.140 57.500 56.400 -0.066 0.000 0.804 109 E CB -0.135 29.548 29.700 -0.028 0.000 0.741 109 E HN 0.241 nan 8.360 nan 0.000 0.458 110 R N 0.239 120.656 120.500 -0.139 0.000 2.127 110 R HA -0.116 4.222 4.340 -0.002 0.000 0.238 110 R C 0.962 177.119 176.300 -0.238 0.000 1.134 110 R CA 1.592 57.594 56.100 -0.164 0.000 0.975 110 R CB -0.064 30.140 30.300 -0.161 0.000 0.865 110 R HN 0.183 nan 8.270 nan 0.000 0.447 111 N N 0.155 118.638 118.700 -0.362 0.000 2.314 111 N HA 0.076 4.815 4.740 -0.002 0.000 0.200 111 N C -0.182 175.192 175.510 -0.226 0.000 1.135 111 N CA 0.484 53.311 53.050 -0.372 0.000 0.835 111 N CB 0.847 38.950 38.487 -0.640 0.000 0.989 111 N HN 0.229 nan 8.380 nan 0.000 0.478 112 A N 1.372 124.094 122.820 -0.164 0.000 2.250 112 A HA 0.489 4.807 4.320 -0.002 0.000 0.283 112 A C 0.225 177.759 177.584 -0.083 0.000 1.206 112 A CA -0.315 51.660 52.037 -0.104 0.000 0.840 112 A CB 0.443 19.398 19.000 -0.076 0.000 1.220 112 A HN 0.335 nan 8.150 nan 0.000 0.505 113 E N 0.166 120.331 120.200 -0.057 0.000 2.343 113 E HA 0.263 4.612 4.350 -0.002 0.000 0.286 113 E C -1.497 175.085 176.600 -0.029 0.000 0.915 113 E CA -0.896 55.478 56.400 -0.044 0.000 0.784 113 E CB 0.874 30.548 29.700 -0.043 0.000 1.251 113 E HN 0.405 nan 8.360 nan 0.000 0.407 114 N N 1.822 120.508 118.700 -0.023 0.000 2.497 114 N HA 0.162 4.901 4.740 -0.002 0.000 0.271 114 N C 0.610 176.117 175.510 -0.005 0.000 1.142 114 N CA 0.577 53.619 53.050 -0.013 0.000 0.965 114 N CB 1.649 40.130 38.487 -0.010 0.000 1.077 114 N HN 0.697 nan 8.380 nan 0.000 0.462 115 A N 4.941 127.760 122.820 -0.002 0.000 1.930 115 A HA -0.066 4.252 4.320 -0.002 0.000 0.217 115 A C 2.130 179.725 177.584 0.017 0.000 1.175 115 A CA 0.908 52.950 52.037 0.008 0.000 0.627 115 A CB -0.392 18.610 19.000 0.003 0.000 0.815 115 A HN 0.816 nan 8.150 nan 0.000 0.443 116 I N -0.383 120.194 120.570 0.011 0.000 2.315 116 I HA -0.180 3.988 4.170 -0.002 0.000 0.248 116 I C 2.253 178.383 176.117 0.023 0.000 1.117 116 I CA 1.014 62.324 61.300 0.017 0.000 1.404 116 I CB -0.394 37.612 38.000 0.010 0.000 1.071 116 I HN 0.273 nan 8.210 nan 0.000 0.419 117 E N 1.166 121.374 120.200 0.013 0.000 2.110 117 E HA -0.159 4.189 4.350 -0.002 0.000 0.193 117 E C 2.320 178.928 176.600 0.013 0.000 0.988 117 E CA 1.314 57.719 56.400 0.008 0.000 0.804 117 E CB -0.239 29.458 29.700 -0.005 0.000 0.745 117 E HN 0.471 nan 8.360 nan 0.000 0.458 118 A N 0.979 123.811 122.820 0.021 0.000 2.019 118 A HA -0.118 4.201 4.320 -0.002 0.000 0.219 118 A C 2.318 179.950 177.584 0.081 0.000 1.164 118 A CA 0.785 52.840 52.037 0.029 0.000 0.644 118 A CB -0.591 18.433 19.000 0.040 0.000 0.805 118 A HN 0.189 nan 8.150 nan 0.000 0.449 119 L N -0.721 120.568 121.223 0.111 0.000 2.083 119 L HA -0.193 4.146 4.340 -0.002 0.000 0.209 119 L C 2.255 179.235 176.870 0.183 0.000 1.083 119 L CA 1.542 56.500 54.840 0.196 0.000 0.752 119 L CB -0.407 41.718 42.059 0.110 0.000 0.899 119 L HN 0.356 nan 8.230 nan 0.000 0.433 120 K N 0.351 120.796 120.400 0.075 0.000 2.519 120 K HA -0.186 4.133 4.320 -0.002 0.000 0.196 120 K C 1.685 178.275 176.600 -0.016 0.000 1.041 120 K CA 1.096 57.406 56.287 0.038 0.000 0.954 120 K CB -0.109 32.399 32.500 0.014 0.000 0.774 120 K HN 0.536 nan 8.250 nan 0.000 0.480 121 E N -0.169 119.977 120.200 -0.091 0.000 2.418 121 E HA -0.164 4.184 4.350 -0.002 0.000 0.197 121 E C 0.513 176.897 176.600 -0.361 0.000 1.026 121 E CA 0.825 57.077 56.400 -0.247 0.000 0.862 121 E CB -0.043 29.444 29.700 -0.355 0.000 0.799 121 E HN 0.419 nan 8.360 nan 0.000 0.518 122 Y N 1.500 121.801 120.300 0.001 0.000 2.524 122 Y HA 0.287 4.835 4.550 -0.003 0.000 0.266 122 Y C -0.027 175.878 175.900 0.009 0.000 1.180 122 Y CA -0.231 57.872 58.100 0.006 0.000 1.244 122 Y CB 0.539 39.004 38.460 0.007 0.000 1.125 122 Y HN -0.022 nan 8.280 nan 0.000 0.524 123 E N 3.123 123.376 120.200 0.089 0.000 2.081 123 E HA 0.201 4.550 4.350 -0.002 0.000 0.276 123 E C -2.315 174.304 176.600 0.031 0.000 0.950 123 E CA -2.143 54.295 56.400 0.064 0.000 0.776 123 E CB 0.850 30.579 29.700 0.050 0.000 1.094 123 E HN 0.072 nan 8.360 nan 0.000 0.402 124 P HA -0.027 nan 4.420 nan 0.000 0.272 124 P C 0.165 177.470 177.300 0.007 0.000 1.230 124 P CA 0.045 63.154 63.100 0.014 0.000 0.788 124 P CB 1.375 33.085 31.700 0.016 0.000 0.949 125 E N 0.531 120.730 120.200 -0.002 0.000 2.140 125 E HA -0.008 4.341 4.350 -0.002 0.000 0.191 125 E C 0.252 176.850 176.600 -0.003 0.000 0.973 125 E CA 0.656 57.054 56.400 -0.003 0.000 0.829 125 E CB 0.123 29.818 29.700 -0.008 0.000 0.781 125 E HN 0.307 nan 8.360 nan 0.000 0.466 126 M N -0.153 119.444 119.600 -0.007 0.000 2.777 126 M HA 0.567 5.046 4.480 -0.002 0.000 0.307 126 M C 0.269 176.560 176.300 -0.016 0.000 1.228 126 M CA -0.778 54.515 55.300 -0.012 0.000 0.871 126 M CB 1.335 33.925 32.600 -0.017 0.000 1.721 126 M HN 0.061 nan 8.290 nan 0.000 0.487 127 G N 0.594 109.378 108.800 -0.026 0.000 2.708 127 G HA2 0.720 4.679 3.960 -0.002 0.000 0.289 127 G HA3 0.720 4.679 3.960 -0.002 0.000 0.289 127 G C -1.695 173.166 174.900 -0.065 0.000 1.416 127 G CA -0.749 44.328 45.100 -0.038 0.000 0.829 127 G HN 0.527 nan 8.290 nan 0.000 0.480 128 K N 0.239 120.583 120.400 -0.092 0.000 2.502 128 K HA 0.585 4.903 4.320 -0.002 0.000 0.254 128 K C -0.508 175.968 176.600 -0.206 0.000 0.947 128 K CA -0.691 55.503 56.287 -0.154 0.000 0.834 128 K CB 2.273 34.670 32.500 -0.171 0.000 1.112 128 K HN 0.609 nan 8.250 nan 0.000 0.427 129 V N -0.353 119.425 119.914 -0.226 0.000 3.074 129 V HA 0.590 4.709 4.120 -0.002 0.000 0.314 129 V C -1.452 174.477 176.094 -0.276 0.000 1.117 129 V CA -0.866 61.310 62.300 -0.207 0.000 1.014 129 V CB 1.477 33.246 31.823 -0.090 0.000 1.057 129 V HN 0.555 nan 8.190 nan 0.000 0.438 130 Y N 1.783 122.069 120.300 -0.024 0.000 2.345 130 Y HA 0.757 5.305 4.550 -0.002 0.000 0.331 130 Y C 0.457 176.343 175.900 -0.025 0.000 0.959 130 Y CA -0.618 57.469 58.100 -0.021 0.000 1.204 130 Y CB 1.627 40.076 38.460 -0.019 0.000 1.135 130 Y HN 0.649 nan 8.280 nan 0.000 0.477 131 R N 0.717 121.297 120.500 0.134 0.000 2.892 131 R HA 0.696 5.034 4.340 -0.002 0.000 0.265 131 R C 0.817 177.150 176.300 0.055 0.000 1.025 131 R CA -0.439 55.698 56.100 0.062 0.000 0.982 131 R CB 1.622 31.936 30.300 0.023 0.000 1.185 131 R HN 0.719 nan 8.270 nan 0.000 0.484 132 A N 1.127 123.961 122.820 0.025 0.000 1.940 132 A HA -0.192 4.126 4.320 -0.002 0.000 0.219 132 A C 1.296 178.890 177.584 0.017 0.000 1.176 132 A CA 2.001 54.047 52.037 0.015 0.000 0.631 132 A CB -0.571 18.430 19.000 0.002 0.000 0.814 132 A HN 0.882 nan 8.150 nan 0.000 0.446 133 D N -0.681 119.728 120.400 0.016 0.000 2.389 133 D HA -0.036 4.603 4.640 -0.002 0.000 0.250 133 D C 0.421 176.734 176.300 0.022 0.000 1.136 133 D CA 0.512 54.521 54.000 0.015 0.000 0.945 133 D CB -0.346 40.460 40.800 0.010 0.000 0.890 133 D HN 0.496 nan 8.370 nan 0.000 0.525 134 R N -1.542 118.978 120.500 0.033 0.000 3.466 134 R HA 0.051 4.390 4.340 -0.002 0.000 0.262 134 R C 0.539 176.874 176.300 0.059 0.000 0.997 134 R CA -0.434 55.691 56.100 0.042 0.000 0.978 134 R CB 0.655 30.983 30.300 0.047 0.000 1.256 134 R HN 0.012 nan 8.270 nan 0.000 0.536 135 K N -0.370 120.056 120.400 0.044 0.000 2.243 135 K HA 0.103 4.422 4.320 -0.002 0.000 0.201 135 K C 0.634 177.276 176.600 0.070 0.000 1.051 135 K CA 0.665 56.966 56.287 0.024 0.000 0.970 135 K CB 0.258 32.755 32.500 -0.005 0.000 0.755 135 K HN 0.426 nan 8.250 nan 0.000 0.465 136 S N 0.845 116.617 115.700 0.120 0.000 2.652 136 S HA 0.254 4.723 4.470 -0.002 0.000 0.270 136 S C 0.196 174.982 174.600 0.310 0.000 1.243 136 S CA -1.087 57.232 58.200 0.199 0.000 0.999 136 S CB 1.663 64.927 63.200 0.107 0.000 0.973 136 S HN 0.068 nan 8.310 nan 0.000 0.544 137 V N 1.359 121.459 119.914 0.310 0.000 2.715 137 V HA 0.246 4.364 4.120 -0.002 0.000 0.299 137 V C -0.370 175.666 176.094 -0.095 0.000 1.054 137 V CA 0.020 62.235 62.300 -0.143 0.000 1.077 137 V CB 0.855 32.402 31.823 -0.460 0.000 0.972 137 V HN 0.958 nan 8.190 nan 0.000 0.484 138 Q N 5.111 124.828 119.800 -0.140 0.000 2.316 138 Q HA 0.460 4.798 4.340 -0.002 0.000 0.264 138 Q C -0.534 175.408 176.000 -0.096 0.000 0.987 138 Q CA -0.529 55.228 55.803 -0.076 0.000 0.852 138 Q CB 1.990 30.704 28.738 -0.040 0.000 1.287 138 Q HN 0.681 nan 8.270 nan 0.000 0.448 139 R N 3.998 124.460 120.500 -0.065 0.000 3.070 139 R HA 0.236 4.574 4.340 -0.002 0.000 0.252 139 R C 0.084 176.362 176.300 -0.038 0.000 1.370 139 R CA -0.100 55.965 56.100 -0.058 0.000 1.482 139 R CB -0.308 29.964 30.300 -0.046 0.000 1.220 139 R HN 0.658 nan 8.270 nan 0.000 0.622 140 I N -1.628 118.920 120.570 -0.037 0.000 3.468 140 I HA 0.334 4.502 4.170 -0.002 0.000 0.276 140 I C -0.466 175.644 176.117 -0.011 0.000 1.182 140 I CA -0.937 60.352 61.300 -0.018 0.000 0.881 140 I CB 0.636 38.629 38.000 -0.012 0.000 1.609 140 I HN 0.153 nan 8.210 nan 0.000 0.780 141 K N 1.309 121.711 120.400 0.002 0.000 2.227 141 K HA 0.387 4.705 4.320 -0.002 0.000 0.280 141 K C 0.871 177.482 176.600 0.017 0.000 1.041 141 K CA 0.032 56.323 56.287 0.007 0.000 0.905 141 K CB 1.675 34.181 32.500 0.009 0.000 1.068 141 K HN 0.717 nan 8.250 nan 0.000 0.470 142 A N 3.626 126.453 122.820 0.012 0.000 1.940 142 A HA -0.286 4.032 4.320 -0.002 0.000 0.221 142 A C 2.093 179.702 177.584 0.042 0.000 1.190 142 A CA 2.024 54.072 52.037 0.019 0.000 0.647 142 A CB -0.509 18.502 19.000 0.018 0.000 0.821 142 A HN 0.903 nan 8.150 nan 0.000 0.457 143 R N -0.491 120.040 120.500 0.051 0.000 2.211 143 R HA -0.164 4.174 4.340 -0.002 0.000 0.240 143 R C 0.231 176.631 176.300 0.167 0.000 1.144 143 R CA 1.752 57.906 56.100 0.090 0.000 0.992 143 R CB -0.246 30.080 30.300 0.043 0.000 0.869 143 R HN 0.503 nan 8.270 nan 0.000 0.462 144 D N 0.040 120.513 120.400 0.122 0.000 2.368 144 D HA 0.112 4.750 4.640 -0.002 0.000 0.218 144 D C 0.282 176.619 176.300 0.062 0.000 1.112 144 D CA 0.082 54.159 54.000 0.128 0.000 0.834 144 D CB 0.323 41.184 40.800 0.101 0.000 0.953 144 D HN 0.272 nan 8.370 nan 0.000 0.505 145 I N 0.942 121.538 120.570 0.043 0.000 2.581 145 I HA 0.155 4.324 4.170 -0.002 0.000 0.288 145 I C 0.324 176.448 176.117 0.013 0.000 1.047 145 I CA -0.346 60.960 61.300 0.010 0.000 1.374 145 I CB 1.462 39.457 38.000 -0.008 0.000 1.423 145 I HN -0.348 nan 8.210 nan 0.000 0.549 146 V N 5.201 125.113 119.914 -0.002 0.000 3.040 146 V HA 0.355 4.474 4.120 -0.002 0.000 0.312 146 V C -2.497 173.559 176.094 -0.064 0.000 1.115 146 V CA -1.907 60.408 62.300 0.024 0.000 0.998 146 V CB 2.267 34.159 31.823 0.114 0.000 1.042 146 V HN 0.574 nan 8.190 nan 0.000 0.433 147 P HA 0.349 nan 4.420 nan 0.000 0.271 147 P C 0.743 177.678 177.300 -0.608 0.000 1.233 147 P CA 1.374 64.232 63.100 -0.404 0.000 0.764 147 P CB 0.661 31.980 31.700 -0.635 0.000 0.825 148 G N 2.997 111.108 108.800 -1.147 0.000 2.424 148 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.207 148 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.207 148 G C -0.135 174.524 174.900 -0.401 0.000 1.061 148 G CA -0.028 44.346 45.100 -1.210 0.000 0.657 148 G HN 0.666 nan 8.290 nan 0.000 0.508 149 D N 2.237 122.511 120.400 -0.211 0.000 2.399 149 D HA 0.383 5.021 4.640 -0.002 0.000 0.241 149 D C 0.754 176.996 176.300 -0.097 0.000 1.133 149 D CA -0.543 53.392 54.000 -0.109 0.000 0.890 149 D CB 0.468 41.229 40.800 -0.065 0.000 1.201 149 D HN 0.246 nan 8.370 nan 0.000 0.432 150 I N 1.668 122.219 120.570 -0.030 0.000 2.533 150 I HA 0.092 4.260 4.170 -0.002 0.000 0.284 150 I C 0.299 176.419 176.117 0.004 0.000 1.109 150 I CA -0.398 60.909 61.300 0.012 0.000 1.412 150 I CB 0.402 38.456 38.000 0.090 0.000 1.396 150 I HN 0.265 nan 8.210 nan 0.000 0.543 151 V N 6.582 126.484 119.914 -0.020 0.000 2.815 151 V HA 0.428 4.546 4.120 -0.002 0.000 0.314 151 V C -0.039 176.030 176.094 -0.041 0.000 1.064 151 V CA -0.738 61.528 62.300 -0.057 0.000 0.952 151 V CB 2.577 34.361 31.823 -0.065 0.000 1.020 151 V HN 0.791 nan 8.190 nan 0.000 0.439 152 E N 2.423 122.568 120.200 -0.092 0.000 2.224 152 E HA 0.685 5.033 4.350 -0.002 0.000 0.265 152 E C -1.518 175.045 176.600 -0.061 0.000 0.878 152 E CA -0.515 55.847 56.400 -0.063 0.000 0.759 152 E CB 2.085 31.715 29.700 -0.117 0.000 1.164 152 E HN 0.582 nan 8.360 nan 0.000 0.414 153 V N 0.565 120.460 119.914 -0.031 0.000 3.001 153 V HA 1.050 5.169 4.120 -0.002 0.000 0.314 153 V C -0.569 175.517 176.094 -0.013 0.000 1.099 153 V CA -0.460 61.824 62.300 -0.027 0.000 0.989 153 V CB 1.264 33.072 31.823 -0.025 0.000 1.040 153 V HN 0.826 nan 8.190 nan 0.000 0.434 154 A N 1.419 124.232 122.820 -0.010 0.000 2.588 154 A HA 0.818 5.136 4.320 -0.002 0.000 0.290 154 A C -0.469 177.115 177.584 0.000 0.000 1.136 154 A CA -0.605 51.431 52.037 -0.003 0.000 0.681 154 A CB 1.331 20.331 19.000 -0.000 0.000 1.282 154 A HN 1.666 nan 8.150 nan 0.000 0.421 155 V N 0.909 120.825 119.914 0.004 0.000 2.931 155 V HA 0.230 4.349 4.120 -0.002 0.000 0.290 155 V C 1.896 177.994 176.094 0.006 0.000 1.315 155 V CA 2.445 64.749 62.300 0.007 0.000 1.393 155 V CB -0.110 31.719 31.823 0.009 0.000 0.887 155 V HN 2.588 nan 8.190 nan 0.000 0.520 156 G N 3.119 111.925 108.800 0.009 0.000 2.347 156 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.247 156 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.247 156 G C 0.079 174.984 174.900 0.009 0.000 1.037 156 G CA 0.263 45.368 45.100 0.009 0.000 0.622 156 G HN 0.735 nan 8.290 nan 0.000 0.521 157 D N 1.178 121.581 120.400 0.005 0.000 2.414 157 D HA 0.354 4.992 4.640 -0.002 0.000 0.242 157 D C 0.526 176.834 176.300 0.014 0.000 1.129 157 D CA 0.403 54.405 54.000 0.004 0.000 0.885 157 D CB 1.109 41.906 40.800 -0.005 0.000 1.198 157 D HN 0.452 nan 8.370 nan 0.000 0.437 158 K N 1.598 122.009 120.400 0.018 0.000 2.234 158 K HA 0.252 4.570 4.320 -0.002 0.000 0.277 158 K C -0.714 175.905 176.600 0.032 0.000 1.038 158 K CA -0.725 55.584 56.287 0.037 0.000 0.888 158 K CB 0.846 33.372 32.500 0.043 0.000 1.091 158 K HN 0.109 nan 8.250 nan 0.000 0.467 159 V N 7.571 127.508 119.914 0.038 0.000 2.557 159 V HA -0.000 4.118 4.120 -0.002 0.000 0.301 159 V C -1.314 174.800 176.094 0.032 0.000 1.026 159 V CA -0.810 61.504 62.300 0.025 0.000 1.137 159 V CB 0.809 32.647 31.823 0.025 0.000 0.917 159 V HN 0.882 nan 8.190 nan 0.000 0.484 160 P HA 0.210 nan 4.420 nan 0.000 0.235 160 P C 0.153 177.462 177.300 0.015 0.000 1.177 160 P CA 0.957 64.066 63.100 0.015 0.000 0.785 160 P CB 0.706 32.405 31.700 -0.002 0.000 0.885 161 A N -0.767 122.055 122.820 0.004 0.000 2.564 161 A HA 0.499 4.817 4.320 -0.002 0.000 0.291 161 A C -1.706 175.873 177.584 -0.008 0.000 1.102 161 A CA -0.581 51.456 52.037 0.001 0.000 0.660 161 A CB 0.062 19.048 19.000 -0.024 0.000 1.283 161 A HN -0.228 nan 8.150 nan 0.000 0.430 162 D N 1.017 121.415 120.400 -0.003 0.000 2.336 162 D HA 0.529 5.167 4.640 -0.002 0.000 0.249 162 D C -0.551 175.704 176.300 -0.075 0.000 1.213 162 D CA 0.829 54.816 54.000 -0.021 0.000 0.870 162 D CB 0.280 41.105 40.800 0.043 0.000 1.076 162 D HN 0.394 nan 8.370 nan 0.000 0.483 163 I N 2.059 122.557 120.570 -0.120 0.000 2.441 163 I HA 0.340 4.509 4.170 -0.002 0.000 0.295 163 I C 0.211 176.251 176.117 -0.129 0.000 0.994 163 I CA -1.162 60.069 61.300 -0.115 0.000 1.144 163 I CB 1.690 39.629 38.000 -0.101 0.000 1.314 163 I HN 0.013 nan 8.210 nan 0.000 0.445 164 R N 6.689 127.138 120.500 -0.085 0.000 2.221 164 R HA 0.500 4.838 4.340 -0.002 0.000 0.327 164 R C -1.074 175.194 176.300 -0.052 0.000 1.033 164 R CA -0.246 55.818 56.100 -0.061 0.000 0.887 164 R CB 0.325 30.613 30.300 -0.021 0.000 1.057 164 R HN 0.519 nan 8.270 nan 0.000 0.455 165 I N 6.630 127.168 120.570 -0.052 0.000 2.471 165 I HA 0.002 4.170 4.170 -0.002 0.000 0.286 165 I C 1.006 177.117 176.117 -0.012 0.000 1.079 165 I CA -0.048 61.231 61.300 -0.034 0.000 1.398 165 I CB 0.768 38.747 38.000 -0.036 0.000 1.403 165 I HN 0.623 nan 8.210 nan 0.000 0.530 166 L N 4.378 125.599 121.223 -0.004 0.000 2.130 166 L HA 0.083 4.421 4.340 -0.002 0.000 0.200 166 L C 0.770 177.646 176.870 0.011 0.000 1.075 166 L CA 0.724 55.568 54.840 0.007 0.000 0.768 166 L CB -0.089 41.978 42.059 0.012 0.000 0.933 166 L HN 0.800 nan 8.230 nan 0.000 0.451 167 S N -0.892 114.815 115.700 0.013 0.000 2.562 167 S HA 0.453 4.922 4.470 -0.002 0.000 0.274 167 S C -0.900 173.710 174.600 0.017 0.000 1.160 167 S CA -0.752 57.458 58.200 0.015 0.000 0.933 167 S CB 1.222 64.429 63.200 0.013 0.000 1.100 167 S HN 0.085 nan 8.310 nan 0.000 0.468 168 I N 4.416 124.998 120.570 0.020 0.000 2.322 168 I HA 0.258 4.426 4.170 -0.002 0.000 0.292 168 I C 1.017 177.146 176.117 0.020 0.000 1.060 168 I CA -0.769 60.542 61.300 0.019 0.000 1.309 168 I CB 1.007 39.020 38.000 0.022 0.000 1.415 168 I HN 0.658 nan 8.210 nan 0.000 0.492 169 K N 3.603 124.015 120.400 0.021 0.000 2.062 169 K HA -0.017 4.302 4.320 -0.002 0.000 0.205 169 K C 1.217 177.828 176.600 0.019 0.000 1.051 169 K CA 0.684 56.984 56.287 0.021 0.000 0.941 169 K CB -0.419 32.098 32.500 0.027 0.000 0.719 169 K HN 0.704 nan 8.250 nan 0.000 0.440 170 S N 0.336 116.047 115.700 0.019 0.000 2.596 170 S HA 0.054 4.523 4.470 -0.002 0.000 0.262 170 S C 1.488 176.101 174.600 0.021 0.000 1.218 170 S CA 0.306 58.517 58.200 0.019 0.000 0.998 170 S CB 0.319 63.529 63.200 0.017 0.000 1.060 170 S HN 0.363 nan 8.310 nan 0.000 0.552 171 T N -3.475 111.093 114.554 0.023 0.000 3.057 171 T HA 0.271 4.619 4.350 -0.002 0.000 0.254 171 T C 0.540 175.263 174.700 0.038 0.000 1.094 171 T CA 0.587 62.704 62.100 0.028 0.000 1.088 171 T CB -0.197 68.688 68.868 0.028 0.000 0.934 171 T HN 0.709 nan 8.240 nan 0.000 0.497 172 T N 0.644 115.217 114.554 0.031 0.000 3.097 172 T HA 0.545 4.893 4.350 -0.002 0.000 0.332 172 T C -2.421 172.283 174.700 0.007 0.000 1.269 172 T CA -0.720 61.397 62.100 0.027 0.000 1.076 172 T CB 1.583 70.474 68.868 0.039 0.000 1.209 172 T HN 0.193 nan 8.240 nan 0.000 0.474 173 L N 4.886 126.097 121.223 -0.020 0.000 2.305 173 L HA 0.761 5.100 4.340 -0.002 0.000 0.284 173 L C -0.766 176.083 176.870 -0.036 0.000 1.013 173 L CA -0.374 54.449 54.840 -0.028 0.000 0.819 173 L CB 1.020 43.054 42.059 -0.041 0.000 1.227 173 L HN 0.503 nan 8.230 nan 0.000 0.417 174 R N 4.344 124.837 120.500 -0.012 0.000 2.437 174 R HA 0.724 5.062 4.340 -0.002 0.000 0.310 174 R C -1.327 174.976 176.300 0.005 0.000 0.955 174 R CA -0.682 55.417 56.100 -0.002 0.000 0.851 174 R CB 1.878 32.185 30.300 0.013 0.000 1.161 174 R HN 0.420 nan 8.270 nan 0.000 0.446 175 V N 1.440 121.361 119.914 0.011 0.000 2.680 175 V HA 0.255 4.374 4.120 -0.002 0.000 0.309 175 V C -0.274 175.844 176.094 0.040 0.000 1.052 175 V CA -0.940 61.375 62.300 0.024 0.000 0.908 175 V CB 2.407 34.245 31.823 0.025 0.000 1.001 175 V HN 0.531 nan 8.190 nan 0.000 0.431 176 D N 2.433 122.860 120.400 0.044 0.000 2.485 176 D HA 0.277 4.915 4.640 -0.002 0.000 0.221 176 D C 0.420 176.754 176.300 0.057 0.000 1.112 176 D CA -0.057 53.971 54.000 0.047 0.000 0.911 176 D CB 1.042 41.869 40.800 0.044 0.000 1.019 176 D HN 0.562 nan 8.370 nan 0.000 0.516 177 Q N 1.401 121.237 119.800 0.060 0.000 2.212 177 Q HA 0.045 4.383 4.340 -0.002 0.000 0.213 177 Q C 1.783 177.788 176.000 0.008 0.000 0.874 177 Q CA -0.177 55.661 55.803 0.059 0.000 0.965 177 Q CB 0.453 29.254 28.738 0.105 0.000 1.074 177 Q HN 0.550 nan 8.270 nan 0.000 0.473 178 S N 1.276 116.984 115.700 0.013 0.000 2.389 178 S HA -0.316 4.153 4.470 -0.002 0.000 0.229 178 S C 1.988 176.567 174.600 -0.034 0.000 1.048 178 S CA 1.775 59.975 58.200 -0.001 0.000 1.117 178 S CB -0.906 62.305 63.200 0.017 0.000 1.020 178 S HN 0.659 nan 8.310 nan 0.000 0.430 179 I N -0.103 120.437 120.570 -0.051 0.000 2.118 179 I HA -0.154 4.014 4.170 -0.002 0.000 0.241 179 I C 2.107 178.123 176.117 -0.168 0.000 1.070 179 I CA 1.420 62.643 61.300 -0.128 0.000 1.327 179 I CB -0.589 37.256 38.000 -0.258 0.000 1.034 179 I HN 0.248 nan 8.210 nan 0.000 0.405 180 L N 1.429 122.545 121.223 -0.179 0.000 2.226 180 L HA -0.056 4.283 4.340 -0.002 0.000 0.218 180 L C 2.914 179.673 176.870 -0.185 0.000 1.162 180 L CA 2.509 57.212 54.840 -0.229 0.000 2.417 180 L CB -1.228 40.634 42.059 -0.328 0.000 2.139 180 L HN 0.603 nan 8.230 nan 0.000 1.037 181 T N -2.248 112.185 114.554 -0.202 0.000 2.616 181 T HA -0.201 4.147 4.350 -0.002 0.000 0.261 181 T C 1.415 176.073 174.700 -0.071 0.000 1.105 181 T CA 2.974 64.998 62.100 -0.126 0.000 1.159 181 T CB -0.963 67.867 68.868 -0.064 0.000 0.856 181 T HN 0.868 nan 8.240 nan 0.000 0.449 182 G N 1.243 110.013 108.800 -0.049 0.000 3.435 182 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.197 182 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.197 182 G C -0.278 174.616 174.900 -0.010 0.000 1.497 182 G CA -0.082 45.001 45.100 -0.030 0.000 1.043 182 G HN 0.761 nan 8.290 nan 0.000 0.466 183 E N 1.799 121.999 120.200 -0.001 0.000 3.250 183 E HA 0.137 4.486 4.350 -0.002 0.000 0.244 183 E C 0.915 177.522 176.600 0.010 0.000 0.931 183 E CA 0.445 56.848 56.400 0.006 0.000 0.954 183 E CB 0.645 30.356 29.700 0.020 0.000 0.894 183 E HN 0.276 nan 8.360 nan 0.000 0.560 184 S N 1.822 117.527 115.700 0.008 0.000 2.428 184 S HA -0.071 4.398 4.470 -0.002 0.000 0.230 184 S C 0.963 175.573 174.600 0.016 0.000 1.014 184 S CA 0.428 58.636 58.200 0.013 0.000 0.957 184 S CB 0.097 63.304 63.200 0.012 0.000 0.784 184 S HN 0.492 nan 8.310 nan 0.000 0.499 185 V N 2.226 122.147 119.914 0.013 0.000 2.614 185 V HA 0.427 4.545 4.120 -0.002 0.000 0.291 185 V C 0.439 176.549 176.094 0.026 0.000 1.049 185 V CA -1.263 61.046 62.300 0.016 0.000 1.038 185 V CB 0.642 32.471 31.823 0.010 0.000 0.980 185 V HN 0.339 nan 8.190 nan 0.000 0.481 186 S N 3.686 119.403 115.700 0.028 0.000 2.552 186 S HA 0.292 4.761 4.470 -0.002 0.000 0.289 186 S C -0.238 174.385 174.600 0.039 0.000 1.304 186 S CA -0.078 58.141 58.200 0.032 0.000 1.063 186 S CB 1.044 64.261 63.200 0.028 0.000 0.848 186 S HN 1.493 nan 8.310 nan 0.000 0.499 187 V N 4.603 124.542 119.914 0.041 0.000 2.732 187 V HA 0.559 4.677 4.120 -0.002 0.000 0.310 187 V C -0.217 175.888 176.094 0.019 0.000 1.053 187 V CA -1.341 60.988 62.300 0.049 0.000 0.957 187 V CB 1.507 33.370 31.823 0.066 0.000 1.018 187 V HN 0.973 nan 8.190 nan 0.000 0.452 188 I N 6.029 126.604 120.570 0.008 0.000 2.365 188 I HA 0.417 4.585 4.170 -0.002 0.000 0.291 188 I C -0.045 175.951 176.117 -0.201 0.000 1.004 188 I CA -0.552 60.698 61.300 -0.084 0.000 1.311 188 I CB 1.081 39.044 38.000 -0.062 0.000 1.401 188 I HN 0.487 nan 8.210 nan 0.000 0.491 189 K N 5.591 125.828 120.400 -0.272 0.000 2.156 189 K HA 0.573 4.892 4.320 -0.002 0.000 0.250 189 K C -0.530 175.797 176.600 -0.454 0.000 0.955 189 K CA -0.728 55.397 56.287 -0.270 0.000 0.855 189 K CB 1.837 34.258 32.500 -0.132 0.000 1.101 189 K HN 0.486 nan 8.250 nan 0.000 0.434 190 H N -0.657 118.407 119.070 -0.010 0.000 3.218 190 H HA 0.373 4.927 4.556 -0.002 0.000 0.303 190 H C 0.230 175.543 175.328 -0.025 0.000 1.605 190 H CA -0.485 55.552 56.048 -0.018 0.000 1.298 190 H CB 1.605 31.342 29.762 -0.042 0.000 1.856 190 H HN 0.430 nan 8.280 nan 0.000 0.656 191 T N 0.079 114.710 114.554 0.128 0.000 2.955 191 T HA 0.051 4.400 4.350 -0.002 0.000 0.251 191 T C 0.092 174.805 174.700 0.022 0.000 1.002 191 T CA -0.053 62.076 62.100 0.049 0.000 0.970 191 T CB 0.470 69.359 68.868 0.035 0.000 1.091 191 T HN 0.251 nan 8.240 nan 0.000 0.495 192 E N 3.461 123.666 120.200 0.008 0.000 2.392 192 E HA 0.163 4.511 4.350 -0.002 0.000 0.264 192 E C -2.291 174.300 176.600 -0.015 0.000 1.024 192 E CA -2.204 54.181 56.400 -0.025 0.000 0.903 192 E CB 0.261 29.918 29.700 -0.072 0.000 0.963 192 E HN 0.281 nan 8.360 nan 0.000 0.432 193 P HA 0.019 nan 4.420 nan 0.000 0.269 193 P C -0.340 176.952 177.300 -0.013 0.000 1.215 193 P CA -0.164 62.921 63.100 -0.024 0.000 0.780 193 P CB 0.636 32.309 31.700 -0.046 0.000 0.898 194 V N 5.129 125.055 119.914 0.020 0.000 2.333 194 V HA 0.111 4.230 4.120 -0.002 0.000 0.274 194 V C -1.252 174.860 176.094 0.030 0.000 1.028 194 V CA -1.514 60.828 62.300 0.069 0.000 0.851 194 V CB 0.681 32.631 31.823 0.212 0.000 1.000 194 V HN 0.495 nan 8.190 nan 0.000 0.456 195 P HA -0.188 nan 4.420 nan 0.000 0.212 195 P C 0.586 177.891 177.300 0.008 0.000 1.174 195 P CA 1.073 64.166 63.100 -0.011 0.000 0.934 195 P CB 0.036 31.731 31.700 -0.008 0.000 0.791 196 D N -0.873 119.560 120.400 0.054 0.000 2.570 196 D HA -0.074 4.565 4.640 -0.002 0.000 0.243 196 D C -1.554 174.845 176.300 0.165 0.000 1.171 196 D CA -0.693 53.358 54.000 0.085 0.000 0.879 196 D CB 0.423 41.275 40.800 0.087 0.000 1.143 196 D HN 0.084 nan 8.370 nan 0.000 0.511 197 P HA 0.006 nan 4.420 nan 0.000 0.225 197 P C 0.306 177.733 177.300 0.211 0.000 1.156 197 P CA 0.759 63.936 63.100 0.127 0.000 0.787 197 P CB 0.314 32.036 31.700 0.038 0.000 0.802 198 R N -0.288 120.291 120.500 0.131 0.000 2.893 198 R HA 0.479 4.818 4.340 -0.002 0.000 0.317 198 R C 0.157 176.486 176.300 0.048 0.000 1.239 198 R CA -0.428 55.718 56.100 0.077 0.000 1.128 198 R CB 0.214 30.544 30.300 0.050 0.000 1.377 198 R HN 0.065 nan 8.270 nan 0.000 0.583 199 A N 1.071 123.919 122.820 0.046 0.000 2.388 199 A HA 0.344 4.663 4.320 -0.002 0.000 0.257 199 A C 0.664 178.198 177.584 -0.084 0.000 1.095 199 A CA -0.568 51.458 52.037 -0.018 0.000 0.791 199 A CB 0.487 19.473 19.000 -0.023 0.000 1.029 199 A HN 0.235 nan 8.150 nan 0.000 0.489 200 V N 1.470 121.359 119.914 -0.040 0.000 2.732 200 V HA 0.205 4.323 4.120 -0.002 0.000 0.297 200 V C 1.070 177.134 176.094 -0.050 0.000 1.060 200 V CA -0.614 61.656 62.300 -0.051 0.000 1.038 200 V CB 0.510 32.320 31.823 -0.021 0.000 1.003 200 V HN 0.866 nan 8.190 nan 0.000 0.481 201 N N 2.134 120.783 118.700 -0.084 0.000 2.111 201 N HA -0.294 4.445 4.740 -0.002 0.000 0.197 201 N C 1.627 177.176 175.510 0.066 0.000 1.011 201 N CA 2.296 55.317 53.050 -0.048 0.000 0.880 201 N CB -0.446 37.764 38.487 -0.461 0.000 1.031 201 N HN 0.951 nan 8.380 nan 0.000 0.444 202 Q N 0.257 120.061 119.800 0.007 0.000 2.248 202 Q HA -0.149 4.189 4.340 -0.002 0.000 0.208 202 Q C 0.022 176.079 176.000 0.095 0.000 0.984 202 Q CA 1.324 57.162 55.803 0.058 0.000 0.875 202 Q CB 0.118 28.881 28.738 0.042 0.000 0.910 202 Q HN 0.332 nan 8.270 nan 0.000 0.433 203 D N -0.418 120.027 120.400 0.074 0.000 2.369 203 D HA 0.059 4.698 4.640 -0.002 0.000 0.211 203 D C -0.377 175.965 176.300 0.070 0.000 1.077 203 D CA 0.241 54.284 54.000 0.072 0.000 0.842 203 D CB 0.366 41.197 40.800 0.053 0.000 0.947 203 D HN 0.093 nan 8.370 nan 0.000 0.509 204 K N 1.710 122.162 120.400 0.086 0.000 2.155 204 K HA 0.110 4.429 4.320 -0.002 0.000 0.240 204 K C 1.091 177.725 176.600 0.057 0.000 1.193 204 K CA -0.175 56.151 56.287 0.064 0.000 1.104 204 K CB 0.704 33.239 32.500 0.058 0.000 1.558 204 K HN -0.259 nan 8.250 nan 0.000 0.313 205 K N 0.907 121.344 120.400 0.062 0.000 2.362 205 K HA -0.109 4.210 4.320 -0.002 0.000 0.200 205 K C 0.857 177.464 176.600 0.011 0.000 1.046 205 K CA 0.951 57.268 56.287 0.049 0.000 0.952 205 K CB -0.020 32.537 32.500 0.094 0.000 0.753 205 K HN 0.508 nan 8.250 nan 0.000 0.466 206 N N -0.169 118.536 118.700 0.008 0.000 2.238 206 N HA 0.032 4.771 4.740 -0.002 0.000 0.222 206 N C -0.109 175.352 175.510 -0.082 0.000 1.133 206 N CA -0.016 53.025 53.050 -0.015 0.000 0.854 206 N CB 0.240 38.739 38.487 0.019 0.000 1.041 206 N HN -0.126 nan 8.380 nan 0.000 0.510 207 M N 0.547 120.038 119.600 -0.182 0.000 2.602 207 M HA 0.464 4.943 4.480 -0.002 0.000 0.312 207 M C -0.889 175.085 176.300 -0.543 0.000 1.181 207 M CA -0.619 54.455 55.300 -0.375 0.000 0.910 207 M CB 2.314 34.580 32.600 -0.558 0.000 1.723 207 M HN -0.071 nan 8.290 nan 0.000 0.459 208 L N 2.277 123.192 121.223 -0.514 0.000 2.325 208 L HA 0.521 4.859 4.340 -0.002 0.000 0.281 208 L C -1.285 175.307 176.870 -0.464 0.000 1.004 208 L CA -0.506 54.097 54.840 -0.395 0.000 0.823 208 L CB 1.401 43.351 42.059 -0.181 0.000 1.236 208 L HN 0.479 nan 8.230 nan 0.000 0.415 209 F N 1.276 121.214 119.950 -0.020 0.000 2.411 209 F HA 0.196 4.722 4.527 -0.002 0.000 0.350 209 F C 1.079 176.867 175.800 -0.021 0.000 1.114 209 F CA -0.291 57.693 58.000 -0.027 0.000 1.135 209 F CB 1.548 40.525 39.000 -0.039 0.000 1.120 209 F HN 0.369 nan 8.300 nan 0.000 0.495 210 S N 2.472 118.266 115.700 0.156 0.000 2.575 210 S HA 0.349 4.817 4.470 -0.002 0.000 0.295 210 S C 1.131 175.792 174.600 0.101 0.000 1.267 210 S CA 0.868 59.125 58.200 0.095 0.000 1.074 210 S CB -0.159 63.086 63.200 0.075 0.000 0.829 210 S HN 1.256 nan 8.310 nan 0.000 0.497 211 G N 3.140 112.001 108.800 0.102 0.000 2.232 211 G HA2 -0.238 3.720 3.960 -0.002 0.000 0.226 211 G HA3 -0.238 3.720 3.960 -0.002 0.000 0.226 211 G C 0.326 175.305 174.900 0.132 0.000 0.996 211 G CA 0.418 45.597 45.100 0.133 0.000 0.626 211 G HN 1.437 nan 8.290 nan 0.000 0.509 212 T N -0.483 114.135 114.554 0.106 0.000 2.810 212 T HA 0.648 4.996 4.350 -0.002 0.000 0.277 212 T C -0.089 174.662 174.700 0.085 0.000 0.973 212 T CA -0.279 61.880 62.100 0.099 0.000 0.949 212 T CB 1.686 70.625 68.868 0.120 0.000 1.075 212 T HN 0.263 nan 8.240 nan 0.000 0.537 213 N N -0.086 118.656 118.700 0.071 0.000 2.272 213 N HA 0.410 5.149 4.740 -0.002 0.000 0.305 213 N C -1.062 174.470 175.510 0.036 0.000 1.103 213 N CA -0.626 52.455 53.050 0.052 0.000 0.791 213 N CB 2.116 40.635 38.487 0.053 0.000 1.356 213 N HN 0.572 nan 8.380 nan 0.000 0.486 214 I N 1.800 122.384 120.570 0.024 0.000 2.308 214 I HA 0.131 4.300 4.170 -0.002 0.000 0.293 214 I C 1.483 177.610 176.117 0.016 0.000 1.078 214 I CA -0.148 61.161 61.300 0.014 0.000 1.292 214 I CB 0.882 38.886 38.000 0.006 0.000 1.423 214 I HN 0.640 nan 8.210 nan 0.000 0.493 215 A N 5.486 128.317 122.820 0.019 0.000 1.968 215 A HA 0.436 4.754 4.320 -0.002 0.000 0.217 215 A C 1.120 178.714 177.584 0.016 0.000 1.169 215 A CA 1.192 53.241 52.037 0.019 0.000 0.638 215 A CB 0.047 19.061 19.000 0.022 0.000 0.812 215 A HN 0.749 nan 8.150 nan 0.000 0.446 216 A N -2.181 120.647 122.820 0.013 0.000 2.500 216 A HA 0.622 4.940 4.320 -0.002 0.000 0.291 216 A C 0.143 177.733 177.584 0.009 0.000 1.048 216 A CA 0.286 52.331 52.037 0.013 0.000 0.791 216 A CB 0.119 19.130 19.000 0.017 0.000 1.309 216 A HN 2.120 nan 8.150 nan 0.000 0.397 217 G N 0.761 109.567 108.800 0.010 0.000 2.331 217 G HA2 0.446 4.404 3.960 -0.002 0.000 0.479 217 G HA3 0.446 4.404 3.960 -0.002 0.000 0.479 217 G C -0.858 174.046 174.900 0.007 0.000 1.262 217 G CA -0.172 44.934 45.100 0.009 0.000 1.029 217 G HN 1.444 nan 8.290 nan 0.000 0.487 218 K N -0.629 119.776 120.400 0.008 0.000 2.557 218 K HA 0.747 5.066 4.320 -0.002 0.000 0.257 218 K C -0.705 175.902 176.600 0.011 0.000 0.933 218 K CA -0.020 56.273 56.287 0.010 0.000 0.820 218 K CB 1.613 34.123 32.500 0.017 0.000 1.330 218 K HN 2.102 nan 8.250 nan 0.000 0.432 219 A N 2.866 125.692 122.820 0.009 0.000 2.594 219 A HA 0.744 5.062 4.320 -0.002 0.000 0.291 219 A C -2.191 175.404 177.584 0.019 0.000 1.105 219 A CA -0.768 51.275 52.037 0.011 0.000 0.694 219 A CB 1.641 20.639 19.000 -0.005 0.000 1.291 219 A HN 0.570 nan 8.150 nan 0.000 0.410 220 L N 0.411 121.649 121.223 0.026 0.000 2.365 220 L HA 0.899 5.238 4.340 -0.002 0.000 0.273 220 L C 0.160 177.039 176.870 0.016 0.000 1.000 220 L CA 0.550 55.414 54.840 0.041 0.000 0.819 220 L CB 1.940 44.040 42.059 0.068 0.000 1.284 220 L HN 1.311 nan 8.230 nan 0.000 0.418 221 G N 4.021 112.824 108.800 0.005 0.000 2.660 221 G HA2 0.445 4.404 3.960 -0.002 0.000 0.290 221 G HA3 0.445 4.404 3.960 -0.002 0.000 0.290 221 G C -2.017 172.864 174.900 -0.032 0.000 1.432 221 G CA -0.646 44.444 45.100 -0.017 0.000 0.807 221 G HN 0.746 nan 8.290 nan 0.000 0.485 222 I N 0.927 121.467 120.570 -0.050 0.000 2.359 222 I HA 0.496 4.664 4.170 -0.002 0.000 0.294 222 I C -0.170 175.860 176.117 -0.144 0.000 0.987 222 I CA -0.929 60.313 61.300 -0.097 0.000 1.225 222 I CB 1.586 39.545 38.000 -0.069 0.000 1.366 222 I HN 0.197 nan 8.210 nan 0.000 0.466 223 V N 8.981 128.767 119.914 -0.213 0.000 2.421 223 V HA 0.065 4.183 4.120 -0.002 0.000 0.271 223 V C 1.190 177.126 176.094 -0.263 0.000 1.031 223 V CA 0.677 62.849 62.300 -0.213 0.000 1.032 223 V CB 0.370 32.068 31.823 -0.209 0.000 1.009 223 V HN 1.004 nan 8.190 nan 0.000 0.477 224 A N 5.137 127.886 122.820 -0.118 0.000 1.854 224 A HA 0.108 4.427 4.320 -0.002 0.000 0.214 224 A C 1.186 178.765 177.584 -0.009 0.000 1.192 224 A CA 1.487 53.518 52.037 -0.011 0.000 0.611 224 A CB -0.099 18.904 19.000 0.005 0.000 0.832 224 A HN 0.813 nan 8.150 nan 0.000 0.442 225 T N -4.894 109.633 114.554 -0.045 0.000 2.896 225 T HA 0.617 4.965 4.350 -0.002 0.000 0.297 225 T C -0.575 174.095 174.700 -0.049 0.000 1.108 225 T CA -0.205 61.866 62.100 -0.049 0.000 1.004 225 T CB 1.852 70.721 68.868 0.002 0.000 1.159 225 T HN 0.141 nan 8.240 nan 0.000 0.499 226 T N -0.773 113.759 114.554 -0.037 0.000 2.838 226 T HA 0.691 5.040 4.350 -0.002 0.000 0.292 226 T C 1.024 175.746 174.700 0.036 0.000 1.113 226 T CA 0.797 62.894 62.100 -0.004 0.000 1.008 226 T CB 0.860 69.720 68.868 -0.014 0.000 1.259 226 T HN 1.618 nan 8.240 nan 0.000 0.520 227 G N 1.099 109.929 108.800 0.050 0.000 2.698 227 G HA2 -0.294 3.664 3.960 -0.002 0.000 0.337 227 G HA3 -0.294 3.664 3.960 -0.002 0.000 0.337 227 G C 1.218 176.150 174.900 0.053 0.000 1.286 227 G CA 0.824 45.961 45.100 0.062 0.000 1.000 227 G HN 0.982 nan 8.290 nan 0.000 0.547 228 V N 1.258 121.205 119.914 0.056 0.000 3.241 228 V HA -0.006 4.112 4.120 -0.002 0.000 0.269 228 V C 2.486 178.604 176.094 0.041 0.000 1.151 228 V CA 2.496 64.823 62.300 0.045 0.000 1.158 228 V CB 0.270 32.120 31.823 0.046 0.000 0.764 228 V HN 0.591 nan 8.190 nan 0.000 0.508 229 S N -0.545 115.183 115.700 0.047 0.000 2.605 229 S HA 0.049 4.518 4.470 -0.002 0.000 0.217 229 S C 1.003 175.627 174.600 0.038 0.000 0.958 229 S CA 0.348 58.574 58.200 0.043 0.000 0.919 229 S CB -0.096 63.135 63.200 0.052 0.000 0.780 229 S HN 0.798 nan 8.310 nan 0.000 0.507 230 T N -0.147 114.431 114.554 0.040 0.000 2.874 230 T HA 0.334 4.682 4.350 -0.002 0.000 0.281 230 T C 1.026 175.752 174.700 0.042 0.000 0.994 230 T CA -0.646 61.486 62.100 0.054 0.000 1.015 230 T CB 0.870 69.773 68.868 0.058 0.000 1.028 230 T HN -0.167 nan 8.240 nan 0.000 0.523 231 E N 0.510 120.749 120.200 0.066 0.000 2.086 231 E HA -0.155 4.193 4.350 -0.002 0.000 0.200 231 E C 1.749 178.315 176.600 -0.057 0.000 1.012 231 E CA 1.266 57.654 56.400 -0.020 0.000 0.812 231 E CB -0.387 29.247 29.700 -0.110 0.000 0.743 231 E HN 0.774 nan 8.360 nan 0.000 0.453 232 I N 0.079 120.628 120.570 -0.036 0.000 2.546 232 I HA -0.101 4.068 4.170 -0.002 0.000 0.255 232 I C 2.045 178.149 176.117 -0.022 0.000 1.163 232 I CA 1.122 62.390 61.300 -0.053 0.000 1.457 232 I CB -0.094 37.877 38.000 -0.048 0.000 1.092 232 I HN 0.075 nan 8.210 nan 0.000 0.434 233 G N 0.378 109.180 108.800 0.003 0.000 2.403 233 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.216 233 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.216 233 G C 1.669 176.570 174.900 0.001 0.000 1.154 233 G CA 0.335 45.442 45.100 0.012 0.000 0.784 233 G HN 0.290 nan 8.290 nan 0.000 0.538 234 K N -0.111 120.285 120.400 -0.007 0.000 2.152 234 K HA 0.037 4.355 4.320 -0.002 0.000 0.206 234 K C 2.302 178.885 176.600 -0.028 0.000 1.048 234 K CA 0.788 57.066 56.287 -0.015 0.000 0.933 234 K CB -0.185 32.300 32.500 -0.024 0.000 0.721 234 K HN 0.329 nan 8.250 nan 0.000 0.447 235 I N 0.561 121.107 120.570 -0.040 0.000 2.353 235 I HA -0.225 3.944 4.170 -0.002 0.000 0.248 235 I C 2.647 178.746 176.117 -0.030 0.000 1.119 235 I CA 0.801 62.072 61.300 -0.048 0.000 1.417 235 I CB -0.154 37.804 38.000 -0.069 0.000 1.078 235 I HN 0.153 nan 8.210 nan 0.000 0.421 236 R N 1.002 121.492 120.500 -0.017 0.000 2.092 236 R HA -0.195 4.144 4.340 -0.002 0.000 0.231 236 R C 1.694 177.991 176.300 -0.005 0.000 1.119 236 R CA 1.834 57.931 56.100 -0.005 0.000 0.970 236 R CB -0.179 30.126 30.300 0.008 0.000 0.864 236 R HN 0.245 nan 8.270 nan 0.000 0.440 237 D N 0.622 121.018 120.400 -0.005 0.000 2.144 237 D HA -0.153 4.485 4.640 -0.002 0.000 0.199 237 D C 2.016 178.309 176.300 -0.012 0.000 0.984 237 D CA 1.226 55.223 54.000 -0.005 0.000 0.834 237 D CB -0.109 40.690 40.800 -0.002 0.000 0.955 237 D HN 0.395 nan 8.370 nan 0.000 0.465 238 Q N -0.479 119.308 119.800 -0.021 0.000 2.084 238 Q HA -0.064 4.275 4.340 -0.002 0.000 0.202 238 Q C 2.290 178.275 176.000 -0.025 0.000 0.978 238 Q CA 0.990 56.776 55.803 -0.028 0.000 0.844 238 Q CB -0.094 28.621 28.738 -0.038 0.000 0.898 238 Q HN 0.338 nan 8.270 nan 0.000 0.426 239 M N -0.085 119.502 119.600 -0.022 0.000 2.229 239 M HA -0.114 4.365 4.480 -0.002 0.000 0.264 239 M C 2.277 178.569 176.300 -0.013 0.000 1.063 239 M CA 1.282 56.572 55.300 -0.018 0.000 1.114 239 M CB -0.200 32.391 32.600 -0.015 0.000 1.387 239 M HN 0.225 nan 8.290 nan 0.000 0.420 240 A N 0.288 123.102 122.820 -0.009 0.000 1.929 240 A HA 0.080 4.399 4.320 -0.002 0.000 0.216 240 A C 2.259 179.838 177.584 -0.008 0.000 1.176 240 A CA 1.608 53.642 52.037 -0.006 0.000 0.628 240 A CB -0.680 18.319 19.000 -0.001 0.000 0.816 240 A HN 0.476 nan 8.150 nan 0.000 0.444 241 A N -1.314 121.499 122.820 -0.011 0.000 2.206 241 A HA 0.224 4.542 4.320 -0.002 0.000 0.211 241 A C 1.292 178.866 177.584 -0.017 0.000 1.158 241 A CA 0.988 53.017 52.037 -0.014 0.000 0.761 241 A CB -0.614 18.376 19.000 -0.016 0.000 0.801 241 A HN 0.306 nan 8.150 nan 0.000 0.473 242 T N 0.597 115.141 114.554 -0.018 0.000 2.832 242 T HA 0.374 4.723 4.350 -0.002 0.000 0.296 242 T C -0.642 174.048 174.700 -0.016 0.000 0.968 242 T CA -0.085 62.003 62.100 -0.020 0.000 1.107 242 T CB 0.532 69.386 68.868 -0.022 0.000 0.916 242 T HN 0.353 nan 8.240 nan 0.000 0.517 243 E N 3.995 124.186 120.200 -0.016 0.000 2.182 243 E HA 0.274 4.622 4.350 -0.002 0.000 0.258 243 E C -0.842 175.750 176.600 -0.013 0.000 0.879 243 E CA -0.497 55.895 56.400 -0.013 0.000 0.754 243 E CB 0.906 30.599 29.700 -0.012 0.000 1.162 243 E HN 0.593 nan 8.360 nan 0.000 0.419 244 Q N 3.154 122.947 119.800 -0.012 0.000 2.267 244 Q HA 0.277 4.615 4.340 -0.002 0.000 0.255 244 Q C -0.606 175.388 176.000 -0.010 0.000 0.923 244 Q CA -0.756 55.040 55.803 -0.011 0.000 0.925 244 Q CB 1.064 29.795 28.738 -0.011 0.000 1.195 244 Q HN 0.525 nan 8.270 nan 0.000 0.417 245 D N 1.848 122.242 120.400 -0.009 0.000 2.369 245 D HA 0.059 4.698 4.640 -0.002 0.000 0.241 245 D C -0.247 176.049 176.300 -0.007 0.000 1.271 245 D CA 0.116 54.111 54.000 -0.008 0.000 0.942 245 D CB 0.606 41.401 40.800 -0.008 0.000 1.129 245 D HN 0.187 nan 8.370 nan 0.000 0.476 246 K N 0.114 120.512 120.400 -0.004 0.000 2.143 246 K HA 0.282 4.601 4.320 -0.002 0.000 0.272 246 K C -0.121 176.476 176.600 -0.005 0.000 1.001 246 K CA -0.515 55.770 56.287 -0.003 0.000 0.915 246 K CB 0.863 33.364 32.500 0.002 0.000 1.047 246 K HN 0.277 nan 8.250 nan 0.000 0.458 247 T N 4.728 119.278 114.554 -0.006 0.000 2.939 247 T HA -0.046 4.303 4.350 -0.002 0.000 0.312 247 T C -1.155 173.539 174.700 -0.011 0.000 1.064 247 T CA -0.973 61.119 62.100 -0.013 0.000 1.136 247 T CB 0.202 69.066 68.868 -0.007 0.000 1.035 247 T HN 0.490 nan 8.240 nan 0.000 0.538 248 P HA -0.150 nan 4.420 nan 0.000 0.217 248 P C 1.625 178.927 177.300 0.003 0.000 1.151 248 P CA 0.832 63.918 63.100 -0.022 0.000 0.849 248 P CB 0.124 31.788 31.700 -0.060 0.000 0.787 249 L N -0.028 121.202 121.223 0.012 0.000 2.093 249 L HA -0.123 4.216 4.340 -0.002 0.000 0.208 249 L C 2.670 179.559 176.870 0.031 0.000 1.085 249 L CA 1.782 56.650 54.840 0.046 0.000 0.755 249 L CB -1.293 40.812 42.059 0.077 0.000 0.904 249 L HN -0.099 nan 8.230 nan 0.000 0.435 250 Q N -1.232 118.580 119.800 0.021 0.000 2.167 250 Q HA -0.215 4.124 4.340 -0.002 0.000 0.202 250 Q C 2.098 178.112 176.000 0.024 0.000 0.970 250 Q CA 1.547 57.361 55.803 0.018 0.000 0.855 250 Q CB -0.163 28.582 28.738 0.011 0.000 0.911 250 Q HN 0.670 nan 8.270 nan 0.000 0.438 251 Q N 0.876 120.689 119.800 0.023 0.000 2.049 251 Q HA -0.103 4.236 4.340 -0.002 0.000 0.198 251 Q C 1.912 177.939 176.000 0.046 0.000 0.971 251 Q CA 0.902 56.722 55.803 0.028 0.000 0.833 251 Q CB -0.037 28.712 28.738 0.020 0.000 0.896 251 Q HN 0.229 nan 8.270 nan 0.000 0.434 252 K N 0.868 121.298 120.400 0.050 0.000 2.152 252 K HA -0.141 4.178 4.320 -0.002 0.000 0.206 252 K C 2.080 178.742 176.600 0.104 0.000 1.048 252 K CA 0.862 57.194 56.287 0.074 0.000 0.933 252 K CB -0.176 32.364 32.500 0.066 0.000 0.721 252 K HN 0.200 nan 8.250 nan 0.000 0.447 253 L N 1.044 122.310 121.223 0.072 0.000 2.056 253 L HA -0.227 4.112 4.340 -0.002 0.000 0.207 253 L C 1.508 178.463 176.870 0.142 0.000 1.078 253 L CA 1.578 56.471 54.840 0.089 0.000 0.749 253 L CB -0.171 41.911 42.059 0.038 0.000 0.901 253 L HN 0.228 nan 8.230 nan 0.000 0.433 254 D N -0.381 120.073 120.400 0.090 0.000 2.117 254 D HA -0.251 4.387 4.640 -0.002 0.000 0.198 254 D C 1.890 178.237 176.300 0.079 0.000 0.982 254 D CA 1.463 55.506 54.000 0.072 0.000 0.828 254 D CB -0.108 40.716 40.800 0.041 0.000 0.967 254 D HN 0.525 nan 8.370 nan 0.000 0.464 255 E N 0.240 120.491 120.200 0.086 0.000 2.085 255 E HA -0.205 4.143 4.350 -0.002 0.000 0.194 255 E C 2.066 178.720 176.600 0.090 0.000 0.994 255 E CA 0.645 57.089 56.400 0.072 0.000 0.801 255 E CB -0.284 29.460 29.700 0.073 0.000 0.743 255 E HN 0.237 nan 8.360 nan 0.000 0.453 256 F N 0.955 120.910 119.950 0.008 0.000 2.234 256 F HA 0.028 4.554 4.527 -0.003 0.000 0.299 256 F C 1.981 177.783 175.800 0.003 0.000 1.087 256 F CA 1.797 59.803 58.000 0.010 0.000 1.340 256 F CB -0.427 38.578 39.000 0.009 0.000 1.031 256 F HN 0.069 nan 8.300 nan 0.000 0.500 257 G N -0.064 108.783 108.800 0.078 0.000 2.394 257 G HA2 -0.191 3.767 3.960 -0.002 0.000 0.215 257 G HA3 -0.191 3.767 3.960 -0.002 0.000 0.215 257 G C 1.450 176.291 174.900 -0.099 0.000 1.165 257 G CA 0.643 45.733 45.100 -0.017 0.000 0.784 257 G HN 0.309 nan 8.290 nan 0.000 0.535 258 E N 0.557 120.721 120.200 -0.059 0.000 2.153 258 E HA -0.107 4.242 4.350 -0.002 0.000 0.194 258 E C 2.639 179.179 176.600 -0.099 0.000 0.988 258 E CA 0.806 57.170 56.400 -0.059 0.000 0.811 258 E CB -0.176 29.506 29.700 -0.029 0.000 0.746 258 E HN 0.344 nan 8.360 nan 0.000 0.466 259 Q N 0.238 119.946 119.800 -0.154 0.000 2.033 259 Q HA -0.030 4.309 4.340 -0.002 0.000 0.196 259 Q C 2.303 178.163 176.000 -0.233 0.000 0.970 259 Q CA 0.383 56.079 55.803 -0.178 0.000 0.828 259 Q CB -0.791 27.836 28.738 -0.185 0.000 0.895 259 Q HN 0.240 nan 8.270 nan 0.000 0.440 260 L N 0.884 121.866 121.223 -0.403 0.000 2.081 260 L HA -0.165 4.174 4.340 -0.002 0.000 0.212 260 L C 2.220 178.976 176.870 -0.190 0.000 1.080 260 L CA 2.046 56.664 54.840 -0.370 0.000 0.754 260 L CB -1.243 40.490 42.059 -0.543 0.000 0.893 260 L HN 0.137 nan 8.230 nan 0.000 0.433 261 S N -0.778 114.831 115.700 -0.152 0.000 2.356 261 S HA -0.217 4.251 4.470 -0.002 0.000 0.223 261 S C 1.988 176.543 174.600 -0.076 0.000 1.032 261 S CA 1.696 59.844 58.200 -0.087 0.000 1.005 261 S CB -0.108 63.053 63.200 -0.066 0.000 0.867 261 S HN 0.622 nan 8.310 nan 0.000 0.449 262 K N 0.377 120.728 120.400 -0.082 0.000 2.002 262 K HA -0.040 4.278 4.320 -0.002 0.000 0.209 262 K C 2.087 178.647 176.600 -0.067 0.000 1.048 262 K CA 1.550 57.798 56.287 -0.066 0.000 0.930 262 K CB -0.578 31.884 32.500 -0.062 0.000 0.714 262 K HN 0.233 nan 8.250 nan 0.000 0.438 263 V N 2.170 122.034 119.914 -0.084 0.000 2.252 263 V HA -0.299 3.819 4.120 -0.002 0.000 0.249 263 V C 2.272 178.322 176.094 -0.075 0.000 1.056 263 V CA 1.777 64.028 62.300 -0.082 0.000 1.022 263 V CB -0.522 31.244 31.823 -0.096 0.000 0.641 263 V HN 0.285 nan 8.190 nan 0.000 0.445 264 I N 1.074 121.602 120.570 -0.070 0.000 2.068 264 I HA -0.359 3.810 4.170 -0.002 0.000 0.238 264 I C 2.818 178.914 176.117 -0.034 0.000 1.046 264 I CA 2.412 63.684 61.300 -0.047 0.000 1.306 264 I CB -0.566 37.410 38.000 -0.039 0.000 1.023 264 I HN 0.551 nan 8.210 nan 0.000 0.399 265 S N 1.082 116.760 115.700 -0.035 0.000 2.383 265 S HA -0.200 4.269 4.470 -0.002 0.000 0.229 265 S C 1.990 176.574 174.600 -0.028 0.000 1.030 265 S CA 1.235 59.416 58.200 -0.031 0.000 1.002 265 S CB -1.034 62.145 63.200 -0.035 0.000 0.829 265 S HN 0.425 nan 8.310 nan 0.000 0.467 266 L N 0.609 121.811 121.223 -0.034 0.000 2.083 266 L HA -0.031 4.307 4.340 -0.002 0.000 0.209 266 L C 2.672 179.533 176.870 -0.016 0.000 1.083 266 L CA 1.337 56.160 54.840 -0.028 0.000 0.752 266 L CB -0.570 41.464 42.059 -0.043 0.000 0.899 266 L HN 0.334 nan 8.230 nan 0.000 0.433 267 I N -0.954 119.597 120.570 -0.033 0.000 2.226 267 I HA -0.342 3.826 4.170 -0.002 0.000 0.245 267 I C 2.636 178.809 176.117 0.092 0.000 1.100 267 I CA 1.091 62.387 61.300 -0.007 0.000 1.374 267 I CB -0.242 37.742 38.000 -0.027 0.000 1.057 267 I HN 0.416 nan 8.210 nan 0.000 0.413 268 C N -0.045 119.281 119.300 0.043 0.000 2.432 268 C HA -0.141 4.318 4.460 -0.002 0.000 0.277 268 C C 2.844 177.882 174.990 0.080 0.000 1.249 268 C CA 0.557 59.595 59.018 0.032 0.000 1.725 268 C CB -0.789 26.941 27.740 -0.016 0.000 2.028 268 C HN 0.344 nan 8.230 nan 0.000 0.477 269 V N 1.600 121.550 119.914 0.059 0.000 2.252 269 V HA -0.278 3.841 4.120 -0.002 0.000 0.249 269 V C 2.741 178.959 176.094 0.207 0.000 1.056 269 V CA 2.429 64.792 62.300 0.105 0.000 1.022 269 V CB -1.462 30.387 31.823 0.044 0.000 0.641 269 V HN 0.619 nan 8.190 nan 0.000 0.445 270 A N -0.364 122.551 122.820 0.159 0.000 1.873 270 A HA -0.221 4.097 4.320 -0.002 0.000 0.218 270 A C 2.425 180.142 177.584 0.222 0.000 1.193 270 A CA 2.414 54.568 52.037 0.195 0.000 0.629 270 A CB -0.984 18.133 19.000 0.196 0.000 0.826 270 A HN 0.316 nan 8.150 nan 0.000 0.447 271 V N -2.089 117.965 119.914 0.234 0.000 2.324 271 V HA -0.282 3.836 4.120 -0.002 0.000 0.250 271 V C 2.170 178.265 176.094 0.002 0.000 1.060 271 V CA 2.187 64.538 62.300 0.085 0.000 1.042 271 V CB -0.814 31.015 31.823 0.011 0.000 0.650 271 V HN 0.856 nan 8.190 nan 0.000 0.450 272 W N 0.150 121.385 121.300 -0.110 0.000 2.363 272 W HA -0.152 4.506 4.660 -0.002 0.000 0.296 272 W C 2.128 178.649 176.519 0.002 0.000 1.212 272 W CA 1.612 58.900 57.345 -0.095 0.000 1.260 272 W CB -0.178 29.248 29.460 -0.056 0.000 1.131 272 W HN 0.170 nan 8.180 nan 0.000 0.530 273 L N 0.139 121.408 121.223 0.077 0.000 2.056 273 L HA -0.252 4.086 4.340 -0.002 0.000 0.207 273 L C 2.355 179.158 176.870 -0.111 0.000 1.078 273 L CA 0.794 55.589 54.840 -0.075 0.000 0.749 273 L CB -1.083 41.035 42.059 0.097 0.000 0.901 273 L HN -0.050 nan 8.230 nan 0.000 0.433 274 I N -0.011 120.535 120.570 -0.040 0.000 2.248 274 I HA -0.271 3.898 4.170 -0.002 0.000 0.248 274 I C 0.989 177.069 176.117 -0.061 0.000 1.107 274 I CA 1.503 62.778 61.300 -0.041 0.000 1.373 274 I CB -1.064 36.904 38.000 -0.054 0.000 1.055 274 I HN 0.382 nan 8.210 nan 0.000 0.418 275 N N 0.690 119.324 118.700 -0.109 0.000 2.761 275 N HA 0.119 4.857 4.740 -0.002 0.000 0.317 275 N C 1.170 176.642 175.510 -0.063 0.000 1.546 275 N CA -0.041 52.988 53.050 -0.035 0.000 1.015 275 N CB 1.160 39.579 38.487 -0.114 0.000 1.343 275 N HN 0.171 nan 8.380 nan 0.000 0.504 276 I N 0.391 120.899 120.570 -0.102 0.000 3.226 276 I HA 0.103 4.271 4.170 -0.002 0.000 0.277 276 I C 2.038 178.258 176.117 0.173 0.000 1.243 276 I CA 0.528 61.760 61.300 -0.113 0.000 1.459 276 I CB -0.098 37.731 38.000 -0.285 0.000 1.093 276 I HN 0.208 nan 8.210 nan 0.000 0.453 277 G N -0.648 108.224 108.800 0.120 0.000 2.448 277 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.219 277 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.219 277 G C 1.332 176.258 174.900 0.044 0.000 1.127 277 G CA 0.914 46.056 45.100 0.070 0.000 0.766 277 G HN 0.483 nan 8.290 nan 0.000 0.552 278 H N -0.456 118.564 119.070 -0.084 0.000 2.518 278 H HA -0.050 4.505 4.556 -0.002 0.000 0.294 278 H C 1.648 176.790 175.328 -0.310 0.000 1.083 278 H CA 0.989 56.881 56.048 -0.260 0.000 1.264 278 H CB -0.329 29.185 29.762 -0.413 0.000 1.370 278 H HN 0.512 nan 8.280 nan 0.000 0.560 279 F N -0.458 119.520 119.950 0.046 0.000 2.780 279 F HA 0.067 4.592 4.527 -0.002 0.000 0.299 279 F C 0.757 176.583 175.800 0.044 0.000 1.146 279 F CA 0.235 58.278 58.000 0.072 0.000 1.428 279 F CB 0.260 39.294 39.000 0.056 0.000 1.115 279 F HN 0.046 nan 8.300 nan 0.000 0.583 280 N N 0.025 118.796 118.700 0.118 0.000 2.467 280 N HA 0.116 4.855 4.740 -0.002 0.000 0.278 280 N C -0.954 174.554 175.510 -0.003 0.000 1.306 280 N CA 0.001 53.089 53.050 0.063 0.000 0.905 280 N CB 0.148 38.664 38.487 0.049 0.000 1.236 280 N HN 0.057 nan 8.380 nan 0.000 0.509 281 D N -0.112 120.270 120.400 -0.029 0.000 2.525 281 D HA 0.476 5.115 4.640 -0.002 0.000 0.249 281 D C -2.087 174.197 176.300 -0.026 0.000 1.072 281 D CA -1.286 52.669 54.000 -0.075 0.000 1.067 281 D CB 0.131 40.823 40.800 -0.179 0.000 1.282 281 D HN -0.085 nan 8.370 nan 0.000 0.587 282 P HA -0.065 nan 4.420 nan 0.000 0.266 282 P C 0.613 177.947 177.300 0.056 0.000 1.180 282 P CA -0.030 63.084 63.100 0.022 0.000 0.765 282 P CB 0.528 32.240 31.700 0.020 0.000 0.806 283 V N 1.338 121.279 119.914 0.045 0.000 3.461 283 V HA -0.041 4.078 4.120 -0.002 0.000 0.267 283 V C 0.143 176.026 176.094 -0.352 0.000 1.186 283 V CA 1.390 63.632 62.300 -0.097 0.000 1.154 283 V CB -0.946 30.798 31.823 -0.131 0.000 0.802 283 V HN 0.569 nan 8.190 nan 0.000 0.474 284 H N -1.727 117.409 119.070 0.109 0.000 2.941 284 H HA 0.711 5.265 4.556 -0.002 0.000 0.344 284 H C 0.491 175.885 175.328 0.110 0.000 1.235 284 H CA -0.079 56.037 56.048 0.112 0.000 1.149 284 H CB 1.429 31.222 29.762 0.051 0.000 1.885 284 H HN 0.287 nan 8.280 nan 0.000 0.558 285 G N -0.547 108.398 108.800 0.243 0.000 2.645 285 G HA2 0.196 4.155 3.960 -0.002 0.000 0.246 285 G HA3 0.196 4.155 3.960 -0.002 0.000 0.246 285 G C 0.800 175.749 174.900 0.081 0.000 1.322 285 G CA 0.531 45.709 45.100 0.131 0.000 0.898 285 G HN 1.739 nan 8.290 nan 0.000 0.573 286 G N -1.583 107.205 108.800 -0.020 0.000 2.652 286 G HA2 0.242 4.201 3.960 -0.002 0.000 0.278 286 G HA3 0.242 4.201 3.960 -0.002 0.000 0.278 286 G C 0.976 175.808 174.900 -0.112 0.000 1.263 286 G CA 1.868 46.891 45.100 -0.129 0.000 0.966 286 G HN 2.744 nan 8.290 nan 0.000 0.544 287 S N -1.763 113.834 115.700 -0.171 0.000 2.586 287 S HA 0.179 4.647 4.470 -0.002 0.000 0.187 287 S C 0.013 174.540 174.600 -0.122 0.000 0.635 287 S CA 0.733 58.892 58.200 -0.068 0.000 0.799 287 S CB -1.074 62.079 63.200 -0.079 0.000 1.394 287 S HN 1.002 nan 8.310 nan 0.000 0.467 288 W N 2.649 123.931 121.300 -0.031 0.000 2.538 288 W HA 0.096 4.755 4.660 -0.003 0.000 0.254 288 W C 1.776 178.309 176.519 0.023 0.000 1.249 288 W CA 0.486 57.821 57.345 -0.018 0.000 1.253 288 W CB -0.112 29.345 29.460 -0.004 0.000 1.130 288 W HN 0.696 nan 8.180 nan 0.000 0.618 289 I N 0.181 120.876 120.570 0.209 0.000 2.703 289 I HA -0.022 4.147 4.170 -0.002 0.000 0.259 289 I C 2.211 178.410 176.117 0.137 0.000 1.151 289 I CA 1.317 62.730 61.300 0.187 0.000 1.470 289 I CB -0.241 37.858 38.000 0.164 0.000 1.112 289 I HN -0.182 nan 8.210 nan 0.000 0.437 290 R N -0.113 120.415 120.500 0.046 0.000 2.080 290 R HA 0.121 4.459 4.340 -0.002 0.000 0.222 290 R C 2.278 178.555 176.300 -0.038 0.000 1.107 290 R CA 1.002 57.108 56.100 0.011 0.000 0.980 290 R CB -0.832 29.436 30.300 -0.054 0.000 0.879 290 R HN 0.452 nan 8.270 nan 0.000 0.439 291 G N 0.955 109.653 108.800 -0.170 0.000 2.422 291 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.218 291 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.218 291 G C 1.508 176.233 174.900 -0.290 0.000 1.146 291 G CA 0.876 45.759 45.100 -0.362 0.000 0.769 291 G HN 0.387 nan 8.290 nan 0.000 0.547 292 A N 1.474 124.279 122.820 -0.025 0.000 1.835 292 A HA -0.005 4.313 4.320 -0.002 0.000 0.215 292 A C 2.319 180.182 177.584 0.466 0.000 1.199 292 A CA 1.558 53.735 52.037 0.234 0.000 0.615 292 A CB -0.472 18.809 19.000 0.469 0.000 0.838 292 A HN 0.221 nan 8.150 nan 0.000 0.444 293 I N -1.177 119.650 120.570 0.427 0.000 2.181 293 I HA -0.308 3.861 4.170 -0.002 0.000 0.247 293 I C 2.335 178.677 176.117 0.376 0.000 1.081 293 I CA 1.929 63.476 61.300 0.412 0.000 1.340 293 I CB -1.715 36.447 38.000 0.270 0.000 1.036 293 I HN 0.572 nan 8.210 nan 0.000 0.417 294 Y N 1.316 121.688 120.300 0.119 0.000 2.049 294 Y HA -0.314 4.234 4.550 -0.002 0.000 0.277 294 Y C 2.738 178.752 175.900 0.191 0.000 1.143 294 Y CA 1.857 60.009 58.100 0.087 0.000 1.115 294 Y CB -0.782 37.625 38.460 -0.087 0.000 0.975 294 Y HN 0.073 nan 8.280 nan 0.000 0.487 295 Y N -0.742 119.608 120.300 0.082 0.000 2.315 295 Y HA -0.244 4.305 4.550 -0.002 0.000 0.288 295 Y C 2.146 177.901 175.900 -0.241 0.000 1.154 295 Y CA 0.943 58.955 58.100 -0.146 0.000 1.229 295 Y CB -1.400 36.946 38.460 -0.189 0.000 0.980 295 Y HN 0.209 nan 8.280 nan 0.000 0.540 296 F N -0.033 120.026 119.950 0.181 0.000 2.187 296 F HA -0.060 4.465 4.527 -0.003 0.000 0.295 296 F C 2.130 177.969 175.800 0.065 0.000 1.091 296 F CA 1.032 59.099 58.000 0.113 0.000 1.308 296 F CB -0.495 38.568 39.000 0.105 0.000 1.030 296 F HN -0.149 nan 8.300 nan 0.000 0.487 297 K N -0.041 120.490 120.400 0.219 0.000 2.209 297 K HA -0.125 4.194 4.320 -0.002 0.000 0.204 297 K C 1.868 178.478 176.600 0.017 0.000 1.048 297 K CA 0.816 57.169 56.287 0.109 0.000 0.940 297 K CB -0.119 32.427 32.500 0.077 0.000 0.729 297 K HN 0.192 nan 8.250 nan 0.000 0.451 298 I N 0.955 121.490 120.570 -0.058 0.000 2.333 298 I HA -0.147 4.022 4.170 -0.002 0.000 0.246 298 I C 2.434 178.544 176.117 -0.012 0.000 1.106 298 I CA 0.932 62.177 61.300 -0.091 0.000 1.411 298 I CB -1.337 36.563 38.000 -0.167 0.000 1.082 298 I HN 0.063 nan 8.210 nan 0.000 0.420 299 A N 1.500 124.331 122.820 0.019 0.000 1.849 299 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 299 A C 2.476 180.098 177.584 0.064 0.000 1.202 299 A CA 3.209 55.272 52.037 0.044 0.000 0.629 299 A CB -1.378 17.671 19.000 0.082 0.000 0.834 299 A HN 0.328 nan 8.150 nan 0.000 0.447 300 V N -1.951 118.020 119.914 0.095 0.000 2.324 300 V HA -0.199 3.920 4.120 -0.002 0.000 0.250 300 V C 2.543 178.679 176.094 0.069 0.000 1.060 300 V CA 2.404 64.759 62.300 0.092 0.000 1.042 300 V CB -1.701 30.191 31.823 0.115 0.000 0.650 300 V HN 0.660 nan 8.190 nan 0.000 0.450 301 A N 0.707 123.561 122.820 0.056 0.000 1.858 301 A HA -0.116 4.203 4.320 -0.002 0.000 0.216 301 A C 2.216 179.825 177.584 0.041 0.000 1.190 301 A CA 2.102 54.167 52.037 0.046 0.000 0.617 301 A CB -0.861 18.156 19.000 0.029 0.000 0.827 301 A HN 0.656 nan 8.150 nan 0.000 0.443 302 L N -0.010 121.233 121.223 0.034 0.000 2.021 302 L HA -0.217 4.121 4.340 -0.002 0.000 0.215 302 L C 2.689 179.578 176.870 0.032 0.000 1.074 302 L CA 2.509 57.370 54.840 0.034 0.000 0.760 302 L CB -0.891 41.187 42.059 0.031 0.000 0.889 302 L HN 0.389 nan 8.230 nan 0.000 0.433 303 A N -1.338 121.504 122.820 0.036 0.000 1.858 303 A HA -0.166 4.153 4.320 -0.002 0.000 0.216 303 A C 2.255 179.861 177.584 0.037 0.000 1.190 303 A CA 2.156 54.214 52.037 0.035 0.000 0.617 303 A CB -1.203 17.823 19.000 0.043 0.000 0.827 303 A HN 0.316 nan 8.150 nan 0.000 0.443 304 V N -0.155 119.785 119.914 0.044 0.000 2.490 304 V HA -0.241 3.878 4.120 -0.002 0.000 0.250 304 V C 2.939 179.054 176.094 0.036 0.000 1.061 304 V CA 1.909 64.235 62.300 0.044 0.000 1.064 304 V CB -1.128 30.729 31.823 0.057 0.000 0.670 304 V HN 0.621 nan 8.190 nan 0.000 0.461 305 A N -0.451 122.390 122.820 0.035 0.000 2.066 305 A HA 0.164 4.482 4.320 -0.002 0.000 0.218 305 A C 2.235 179.832 177.584 0.021 0.000 1.157 305 A CA 1.461 53.514 52.037 0.027 0.000 0.670 305 A CB -0.356 18.662 19.000 0.030 0.000 0.804 305 A HN 0.550 nan 8.150 nan 0.000 0.453 306 A N -0.903 121.934 122.820 0.028 0.000 2.195 306 A HA 0.456 4.774 4.320 -0.002 0.000 0.210 306 A C 0.714 178.343 177.584 0.075 0.000 1.165 306 A CA 0.117 52.175 52.037 0.036 0.000 0.806 306 A CB -0.121 18.888 19.000 0.014 0.000 0.847 306 A HN 0.398 nan 8.150 nan 0.000 0.482 307 I N 0.388 120.994 120.570 0.060 0.000 2.412 307 I HA 0.299 4.468 4.170 -0.002 0.000 0.296 307 I C -2.617 173.513 176.117 0.023 0.000 0.987 307 I CA -2.544 58.801 61.300 0.075 0.000 1.180 307 I CB 2.227 40.260 38.000 0.053 0.000 1.340 307 I HN -0.092 nan 8.210 nan 0.000 0.455 308 P HA 0.195 nan 4.420 nan 0.000 0.247 308 P C -0.251 177.012 177.300 -0.062 0.000 1.756 308 P CA -0.242 62.820 63.100 -0.064 0.000 1.117 308 P CB 0.292 31.926 31.700 -0.111 0.000 1.869 309 E N 1.084 121.253 120.200 -0.052 0.000 2.265 309 E HA -0.094 4.255 4.350 -0.002 0.000 0.196 309 E C 2.129 178.682 176.600 -0.078 0.000 0.996 309 E CA 1.285 57.652 56.400 -0.054 0.000 0.832 309 E CB -0.489 29.190 29.700 -0.035 0.000 0.756 309 E HN 0.443 nan 8.360 nan 0.000 0.491 310 G N -0.084 108.656 108.800 -0.100 0.000 2.838 310 G HA2 -0.084 3.874 3.960 -0.002 0.000 0.210 310 G HA3 -0.084 3.874 3.960 -0.002 0.000 0.210 310 G C 1.298 176.119 174.900 -0.132 0.000 1.153 310 G CA -0.194 44.832 45.100 -0.124 0.000 0.778 310 G HN 0.120 nan 8.290 nan 0.000 0.539 311 L N 1.804 122.959 121.223 -0.113 0.000 1.990 311 L HA 0.006 4.345 4.340 -0.002 0.000 0.213 311 L C 0.093 176.916 176.870 -0.078 0.000 1.072 311 L CA 2.024 56.809 54.840 -0.092 0.000 0.755 311 L CB -1.184 40.833 42.059 -0.070 0.000 0.889 311 L HN 0.047 nan 8.230 nan 0.000 0.432 312 P HA -0.220 nan 4.420 nan 0.000 0.216 312 P C 1.551 178.811 177.300 -0.067 0.000 1.157 312 P CA 2.331 65.398 63.100 -0.056 0.000 0.880 312 P CB -0.184 31.480 31.700 -0.061 0.000 0.791 313 A N -1.046 121.718 122.820 -0.093 0.000 1.898 313 A HA -0.135 4.184 4.320 -0.002 0.000 0.216 313 A C 2.352 179.849 177.584 -0.146 0.000 1.181 313 A CA 1.668 53.641 52.037 -0.106 0.000 0.620 313 A CB -1.596 17.336 19.000 -0.114 0.000 0.819 313 A HN 0.022 nan 8.150 nan 0.000 0.442 314 V N 0.147 119.933 119.914 -0.213 0.000 2.295 314 V HA -0.258 3.860 4.120 -0.002 0.000 0.246 314 V C 2.430 178.321 176.094 -0.339 0.000 1.049 314 V CA 2.026 64.100 62.300 -0.377 0.000 1.024 314 V CB -0.614 30.861 31.823 -0.580 0.000 0.648 314 V HN 0.565 nan 8.190 nan 0.000 0.447 315 I N 0.659 121.146 120.570 -0.138 0.000 2.142 315 I HA -0.268 3.901 4.170 -0.002 0.000 0.240 315 I C 2.814 178.953 176.117 0.036 0.000 1.078 315 I CA 2.189 63.539 61.300 0.082 0.000 1.343 315 I CB -0.616 37.460 38.000 0.127 0.000 1.046 315 I HN 0.545 nan 8.210 nan 0.000 0.405 316 T N -1.928 112.623 114.554 -0.005 0.000 2.777 316 T HA -0.202 4.146 4.350 -0.002 0.000 0.266 316 T C 1.966 176.661 174.700 -0.008 0.000 1.040 316 T CA 1.851 63.954 62.100 0.005 0.000 1.141 316 T CB -1.165 67.705 68.868 0.002 0.000 0.868 316 T HN 0.491 nan 8.240 nan 0.000 0.444 317 T N -0.751 113.774 114.554 -0.049 0.000 2.833 317 T HA -0.159 4.189 4.350 -0.002 0.000 0.269 317 T C 2.298 176.982 174.700 -0.026 0.000 1.054 317 T CA 1.179 63.250 62.100 -0.048 0.000 1.135 317 T CB -1.454 67.362 68.868 -0.085 0.000 0.869 317 T HN 0.586 nan 8.240 nan 0.000 0.466 318 C N 0.686 119.962 119.300 -0.040 0.000 2.453 318 C HA 0.205 4.663 4.460 -0.002 0.000 0.277 318 C C 2.695 177.725 174.990 0.067 0.000 1.262 318 C CA 0.344 59.372 59.018 0.018 0.000 1.718 318 C CB -1.609 26.183 27.740 0.087 0.000 2.031 318 C HN 0.659 nan 8.230 nan 0.000 0.480 319 L N 1.354 122.616 121.223 0.065 0.000 2.046 319 L HA -0.068 4.271 4.340 -0.002 0.000 0.208 319 L C 3.062 179.960 176.870 0.047 0.000 1.077 319 L CA 1.650 56.527 54.840 0.061 0.000 0.747 319 L CB -0.835 41.258 42.059 0.058 0.000 0.896 319 L HN 0.445 nan 8.230 nan 0.000 0.432 320 A N 0.245 123.088 122.820 0.038 0.000 1.917 320 A HA -0.205 4.114 4.320 -0.002 0.000 0.219 320 A C 2.264 179.866 177.584 0.030 0.000 1.182 320 A CA 1.641 53.698 52.037 0.034 0.000 0.633 320 A CB -0.754 18.262 19.000 0.028 0.000 0.819 320 A HN 0.367 nan 8.150 nan 0.000 0.448 321 L N -0.988 120.257 121.223 0.037 0.000 1.994 321 L HA -0.138 4.201 4.340 -0.002 0.000 0.208 321 L C 2.924 179.813 176.870 0.032 0.000 1.071 321 L CA 1.295 56.155 54.840 0.034 0.000 0.745 321 L CB -1.224 40.880 42.059 0.076 0.000 0.892 321 L HN 0.503 nan 8.230 nan 0.000 0.431 322 G N -0.490 108.340 108.800 0.051 0.000 2.491 322 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.218 322 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.218 322 G C 1.516 176.431 174.900 0.026 0.000 1.180 322 G CA 1.459 46.584 45.100 0.042 0.000 0.774 322 G HN 0.276 nan 8.290 nan 0.000 0.562 323 T N 0.922 115.492 114.554 0.027 0.000 2.564 323 T HA -0.249 4.100 4.350 -0.002 0.000 0.264 323 T C 2.467 177.175 174.700 0.013 0.000 1.100 323 T CA 1.887 63.999 62.100 0.020 0.000 1.171 323 T CB -0.269 68.614 68.868 0.024 0.000 0.863 323 T HN 0.373 nan 8.240 nan 0.000 0.430 324 R N 0.376 120.883 120.500 0.012 0.000 2.105 324 R HA -0.048 4.290 4.340 -0.002 0.000 0.239 324 R C 2.693 178.993 176.300 0.001 0.000 1.135 324 R CA 1.360 57.464 56.100 0.006 0.000 0.967 324 R CB -0.291 30.010 30.300 0.001 0.000 0.861 324 R HN 0.312 nan 8.270 nan 0.000 0.442 325 R N 0.657 121.157 120.500 0.000 0.000 2.096 325 R HA -0.063 4.275 4.340 -0.002 0.000 0.235 325 R C 2.158 178.458 176.300 -0.000 0.000 1.127 325 R CA 1.467 57.565 56.100 -0.003 0.000 0.968 325 R CB -0.001 30.299 30.300 0.001 0.000 0.861 325 R HN 0.222 nan 8.270 nan 0.000 0.440 326 M N -0.742 118.860 119.600 0.002 0.000 2.236 326 M HA -0.005 4.473 4.480 -0.002 0.000 0.266 326 M C 2.404 178.701 176.300 -0.004 0.000 1.070 326 M CA 1.275 56.574 55.300 -0.002 0.000 1.137 326 M CB -0.073 32.526 32.600 -0.001 0.000 1.378 326 M HN 0.215 nan 8.290 nan 0.000 0.426 327 A N 0.863 123.683 122.820 -0.001 0.000 1.908 327 A HA -0.179 4.140 4.320 -0.002 0.000 0.218 327 A C 2.105 179.688 177.584 -0.002 0.000 1.181 327 A CA 1.645 53.681 52.037 -0.001 0.000 0.627 327 A CB -0.597 18.405 19.000 0.002 0.000 0.818 327 A HN 0.402 nan 8.150 nan 0.000 0.445 328 K N -0.435 119.964 120.400 -0.002 0.000 2.281 328 K HA -0.105 4.213 4.320 -0.002 0.000 0.203 328 K C 0.745 177.344 176.600 -0.003 0.000 1.046 328 K CA 1.284 57.570 56.287 -0.002 0.000 0.938 328 K CB -0.096 32.402 32.500 -0.003 0.000 0.737 328 K HN 0.402 nan 8.250 nan 0.000 0.458 329 K N 0.790 121.187 120.400 -0.005 0.000 2.576 329 K HA 0.111 4.430 4.320 -0.002 0.000 0.209 329 K C -0.509 176.086 176.600 -0.010 0.000 1.049 329 K CA -0.133 56.149 56.287 -0.007 0.000 1.140 329 K CB 0.425 32.919 32.500 -0.010 0.000 0.871 329 K HN 0.107 nan 8.250 nan 0.000 0.479 330 N N 0.495 119.191 118.700 -0.006 0.000 2.754 330 N HA -0.185 4.554 4.740 -0.002 0.000 0.248 330 N C -0.950 174.553 175.510 -0.010 0.000 1.093 330 N CA 1.036 54.082 53.050 -0.006 0.000 0.699 330 N CB -1.090 37.394 38.487 -0.004 0.000 1.016 330 N HN 0.345 nan 8.380 nan 0.000 0.552 331 A N 0.679 123.492 122.820 -0.012 0.000 2.466 331 A HA 0.614 4.932 4.320 -0.002 0.000 0.291 331 A C 0.259 177.838 177.584 -0.009 0.000 1.234 331 A CA -0.532 51.496 52.037 -0.015 0.000 0.752 331 A CB 0.687 19.673 19.000 -0.023 0.000 1.153 331 A HN 0.250 nan 8.150 nan 0.000 0.458 332 I N 3.164 123.730 120.570 -0.006 0.000 2.308 332 I HA 0.184 4.353 4.170 -0.002 0.000 0.293 332 I C -0.442 175.672 176.117 -0.003 0.000 1.078 332 I CA -0.382 60.916 61.300 -0.003 0.000 1.292 332 I CB 1.278 39.277 38.000 -0.001 0.000 1.423 332 I HN 0.278 nan 8.210 nan 0.000 0.493 333 V N 7.626 127.540 119.914 -0.001 0.000 2.333 333 V HA 0.306 4.424 4.120 -0.002 0.000 0.274 333 V C 0.345 176.440 176.094 0.002 0.000 1.028 333 V CA -0.709 61.591 62.300 -0.001 0.000 0.851 333 V CB 0.685 32.509 31.823 0.002 0.000 1.000 333 V HN 0.732 nan 8.190 nan 0.000 0.456 334 R N 3.320 123.819 120.500 -0.002 0.000 2.312 334 R HA 0.722 5.060 4.340 -0.002 0.000 0.311 334 R C -0.091 176.207 176.300 -0.004 0.000 1.004 334 R CA -0.229 55.868 56.100 -0.004 0.000 0.902 334 R CB 1.371 31.665 30.300 -0.010 0.000 1.073 334 R HN 0.696 nan 8.270 nan 0.000 0.457 335 S N 3.082 118.781 115.700 -0.001 0.000 3.722 335 S HA -0.078 4.390 4.470 -0.002 0.000 0.776 335 S C 0.456 175.061 174.600 0.009 0.000 0.455 335 S CA -0.302 57.899 58.200 0.001 0.000 1.445 335 S CB -0.941 62.256 63.200 -0.004 0.000 0.854 335 S HN 0.762 nan 8.310 nan 0.000 1.094 336 L N 3.853 125.087 121.223 0.017 0.000 2.046 336 L HA -0.030 4.309 4.340 -0.002 0.000 0.208 336 L C -0.477 176.408 176.870 0.025 0.000 1.077 336 L CA 1.473 56.328 54.840 0.025 0.000 0.747 336 L CB -1.448 40.631 42.059 0.034 0.000 0.896 336 L HN 0.459 nan 8.230 nan 0.000 0.432 337 P HA -0.099 nan 4.420 nan 0.000 0.226 337 P C 1.526 178.832 177.300 0.011 0.000 1.146 337 P CA 1.042 64.154 63.100 0.020 0.000 0.773 337 P CB 0.105 31.813 31.700 0.013 0.000 0.772 338 S N -1.333 114.371 115.700 0.007 0.000 2.446 338 S HA -0.055 4.413 4.470 -0.002 0.000 0.225 338 S C 1.871 176.469 174.600 -0.002 0.000 1.016 338 S CA 0.507 58.706 58.200 -0.002 0.000 0.943 338 S CB -0.829 62.368 63.200 -0.005 0.000 0.786 338 S HN -0.021 nan 8.310 nan 0.000 0.508 339 V N 2.203 122.123 119.914 0.010 0.000 2.317 339 V HA -0.277 3.841 4.120 -0.002 0.000 0.251 339 V C 2.452 178.552 176.094 0.010 0.000 1.065 339 V CA 2.214 64.523 62.300 0.015 0.000 1.049 339 V CB -0.611 31.232 31.823 0.033 0.000 0.651 339 V HN 0.580 nan 8.190 nan 0.000 0.450 340 E N 0.611 120.818 120.200 0.012 0.000 2.007 340 E HA -0.253 4.096 4.350 -0.002 0.000 0.194 340 E C 2.324 178.875 176.600 -0.082 0.000 0.999 340 E CA 2.258 58.644 56.400 -0.024 0.000 0.811 340 E CB -0.287 29.405 29.700 -0.014 0.000 0.762 340 E HN 0.770 nan 8.360 nan 0.000 0.450 341 T N 0.895 115.411 114.554 -0.063 0.000 2.737 341 T HA -0.244 4.104 4.350 -0.002 0.000 0.269 341 T C 1.975 176.640 174.700 -0.058 0.000 1.040 341 T CA 1.373 63.434 62.100 -0.066 0.000 1.142 341 T CB -0.563 68.280 68.868 -0.041 0.000 0.861 341 T HN 0.162 nan 8.240 nan 0.000 0.456 342 L N 2.585 123.782 121.223 -0.043 0.000 1.971 342 L HA 0.091 4.430 4.340 -0.002 0.000 0.215 342 L C 2.793 179.635 176.870 -0.046 0.000 1.072 342 L CA 2.321 57.139 54.840 -0.038 0.000 0.758 342 L CB -1.419 40.623 42.059 -0.028 0.000 0.889 342 L HN 0.367 nan 8.230 nan 0.000 0.433 343 G N -1.469 107.302 108.800 -0.049 0.000 2.485 343 G HA2 -0.282 3.676 3.960 -0.002 0.000 0.221 343 G HA3 -0.282 3.676 3.960 -0.002 0.000 0.221 343 G C 1.240 176.098 174.900 -0.070 0.000 1.115 343 G CA 1.133 46.203 45.100 -0.050 0.000 0.751 343 G HN 0.611 nan 8.290 nan 0.000 0.567 344 C N 1.541 120.785 119.300 -0.093 0.000 2.673 344 C HA 0.302 4.761 4.460 -0.002 0.000 0.274 344 C C 1.639 176.598 174.990 -0.051 0.000 1.276 344 C CA -0.538 58.427 59.018 -0.088 0.000 1.701 344 C CB -1.645 26.022 27.740 -0.121 0.000 1.836 344 C HN 0.510 nan 8.230 nan 0.000 0.596 345 T N 0.320 114.850 114.554 -0.040 0.000 2.908 345 T HA 0.140 4.488 4.350 -0.002 0.000 0.301 345 T C 1.007 175.700 174.700 -0.012 0.000 1.019 345 T CA 0.782 62.869 62.100 -0.023 0.000 1.152 345 T CB 0.863 69.718 68.868 -0.022 0.000 0.966 345 T HN 0.557 nan 8.240 nan 0.000 0.540 346 S N 2.306 118.007 115.700 0.001 0.000 2.514 346 S HA 0.305 4.773 4.470 -0.002 0.000 0.223 346 S C 0.378 174.989 174.600 0.019 0.000 1.046 346 S CA -0.301 57.904 58.200 0.009 0.000 0.914 346 S CB 0.164 63.372 63.200 0.013 0.000 0.807 346 S HN 0.651 nan 8.310 nan 0.000 0.497 347 V N 1.951 121.881 119.914 0.027 0.000 2.656 347 V HA 0.570 4.688 4.120 -0.002 0.000 0.307 347 V C -0.959 175.163 176.094 0.047 0.000 1.051 347 V CA -0.805 61.519 62.300 0.041 0.000 0.893 347 V CB 1.778 33.632 31.823 0.051 0.000 0.999 347 V HN 0.386 nan 8.190 nan 0.000 0.426 348 I N 3.061 123.672 120.570 0.069 0.000 2.439 348 I HA 0.385 4.553 4.170 -0.002 0.000 0.285 348 I C -0.724 175.460 176.117 0.112 0.000 1.021 348 I CA -0.179 61.176 61.300 0.092 0.000 1.091 348 I CB 1.643 39.725 38.000 0.137 0.000 1.242 348 I HN 0.546 nan 8.210 nan 0.000 0.439 349 C N 4.374 123.727 119.300 0.088 0.000 2.265 349 C HA 0.523 4.981 4.460 -0.002 0.000 0.332 349 C C 0.685 175.728 174.990 0.088 0.000 1.248 349 C CA -0.341 58.724 59.018 0.079 0.000 1.727 349 C CB 0.293 28.061 27.740 0.047 0.000 2.348 349 C HN 0.752 nan 8.230 nan 0.000 0.519 350 S N 2.215 117.969 115.700 0.090 0.000 2.503 350 S HA 0.391 4.859 4.470 -0.002 0.000 0.301 350 S C -0.687 173.938 174.600 0.041 0.000 1.087 350 S CA -0.526 57.733 58.200 0.098 0.000 1.042 350 S CB 0.605 63.904 63.200 0.164 0.000 1.043 350 S HN 0.748 nan 8.310 nan 0.000 0.489 351 D N 2.735 123.160 120.400 0.043 0.000 2.372 351 D HA 0.146 4.785 4.640 -0.002 0.000 0.243 351 D C 0.774 177.079 176.300 0.008 0.000 1.121 351 D CA -0.071 53.943 54.000 0.023 0.000 0.898 351 D CB 1.260 42.074 40.800 0.024 0.000 1.202 351 D HN 0.582 nan 8.370 nan 0.000 0.428 352 K N 0.859 121.257 120.400 -0.004 0.000 2.019 352 K HA -0.092 4.227 4.320 -0.002 0.000 0.209 352 K C 1.559 178.154 176.600 -0.008 0.000 1.032 352 K CA 0.743 57.016 56.287 -0.023 0.000 0.947 352 K CB -0.263 32.222 32.500 -0.024 0.000 0.757 352 K HN 0.300 nan 8.250 nan 0.000 0.444 353 T N 0.285 114.841 114.554 0.003 0.000 2.360 353 T HA -0.272 4.076 4.350 -0.002 0.000 0.226 353 T C 1.740 176.449 174.700 0.015 0.000 1.465 353 T CA 2.184 64.290 62.100 0.010 0.000 1.117 353 T CB -1.144 67.733 68.868 0.015 0.000 0.844 353 T HN 0.629 nan 8.240 nan 0.000 0.424 354 G N -0.302 108.511 108.800 0.021 0.000 2.511 354 G HA2 -0.045 3.914 3.960 -0.002 0.000 0.217 354 G HA3 -0.045 3.914 3.960 -0.002 0.000 0.217 354 G C 1.654 176.574 174.900 0.034 0.000 1.133 354 G CA 1.540 46.657 45.100 0.027 0.000 0.792 354 G HN 0.686 nan 8.290 nan 0.000 0.539 355 T N -2.208 112.370 114.554 0.040 0.000 3.018 355 T HA 0.256 4.604 4.350 -0.002 0.000 0.246 355 T C 2.220 176.960 174.700 0.067 0.000 1.026 355 T CA -0.007 62.135 62.100 0.070 0.000 1.081 355 T CB -0.067 68.863 68.868 0.104 0.000 0.970 355 T HN 0.115 nan 8.240 nan 0.000 0.475 356 L N 1.902 123.123 121.223 -0.003 0.000 2.298 356 L HA 0.273 4.612 4.340 -0.002 0.000 0.209 356 L C 1.633 178.473 176.870 -0.049 0.000 1.084 356 L CA 0.850 55.638 54.840 -0.085 0.000 0.816 356 L CB -0.119 41.835 42.059 -0.175 0.000 0.967 356 L HN 0.481 nan 8.230 nan 0.000 0.460 357 T N -5.150 109.389 114.554 -0.024 0.000 2.938 357 T HA 0.201 4.550 4.350 -0.002 0.000 0.285 357 T C 0.984 175.684 174.700 -0.000 0.000 1.028 357 T CA 0.083 62.173 62.100 -0.015 0.000 1.005 357 T CB 1.599 70.459 68.868 -0.013 0.000 1.157 357 T HN 0.120 nan 8.240 nan 0.000 0.550 358 T N -1.701 112.850 114.554 -0.005 0.000 3.067 358 T HA 0.092 4.441 4.350 -0.002 0.000 0.257 358 T C 1.073 175.777 174.700 0.007 0.000 1.105 358 T CA 0.785 62.883 62.100 -0.004 0.000 1.104 358 T CB -0.708 68.146 68.868 -0.024 0.000 0.925 358 T HN 0.896 nan 8.240 nan 0.000 0.498 359 N N 1.043 119.752 118.700 0.015 0.000 2.818 359 N HA -0.178 4.560 4.740 -0.002 0.000 0.250 359 N C -0.906 174.646 175.510 0.070 0.000 1.108 359 N CA 0.664 53.739 53.050 0.042 0.000 0.745 359 N CB -1.832 36.683 38.487 0.047 0.000 1.104 359 N HN 0.787 nan 8.380 nan 0.000 0.557 360 Q N 0.395 120.200 119.800 0.008 0.000 2.456 360 Q HA 0.313 4.651 4.340 -0.002 0.000 0.252 360 Q C 0.058 176.018 176.000 -0.066 0.000 1.042 360 Q CA -0.624 55.123 55.803 -0.092 0.000 0.766 360 Q CB 0.912 29.485 28.738 -0.276 0.000 1.196 360 Q HN 0.221 nan 8.270 nan 0.000 0.504 361 M N 1.475 121.175 119.600 0.168 0.000 2.207 361 M HA 0.299 4.777 4.480 -0.002 0.000 0.311 361 M C 0.371 176.776 176.300 0.176 0.000 1.127 361 M CA 0.445 55.849 55.300 0.174 0.000 1.181 361 M CB 0.714 33.437 32.600 0.206 0.000 1.409 361 M HN 0.634 nan 8.290 nan 0.000 0.461 362 S N -0.156 115.603 115.700 0.097 0.000 2.579 362 S HA 0.478 4.946 4.470 -0.002 0.000 0.290 362 S C -1.241 173.380 174.600 0.034 0.000 1.123 362 S CA -1.146 57.095 58.200 0.070 0.000 0.894 362 S CB 0.625 63.831 63.200 0.010 0.000 1.095 362 S HN 0.359 nan 8.310 nan 0.000 0.450 363 V N 2.600 122.530 119.914 0.026 0.000 2.530 363 V HA 0.245 4.364 4.120 -0.002 0.000 0.282 363 V C 0.903 176.985 176.094 -0.020 0.000 1.048 363 V CA -0.362 61.944 62.300 0.010 0.000 0.997 363 V CB 0.552 32.381 31.823 0.009 0.000 0.987 363 V HN 1.188 nan 8.190 nan 0.000 0.477 364 C N 3.425 122.694 119.300 -0.050 0.000 2.689 364 C HA 0.292 4.751 4.460 -0.002 0.000 0.336 364 C C 0.981 175.883 174.990 -0.146 0.000 1.304 364 C CA -0.141 58.817 59.018 -0.100 0.000 1.860 364 C CB -0.432 27.227 27.740 -0.136 0.000 2.405 364 C HN 0.816 nan 8.230 nan 0.000 0.557 365 K N -0.038 120.249 120.400 -0.188 0.000 2.469 365 K HA 0.716 5.035 4.320 -0.002 0.000 0.254 365 K C -1.071 175.633 176.600 0.173 0.000 0.939 365 K CA -0.159 55.996 56.287 -0.221 0.000 0.812 365 K CB 2.142 33.985 32.500 -1.096 0.000 1.301 365 K HN 0.110 nan 8.250 nan 0.000 0.433 366 M N 1.699 121.537 119.600 0.395 0.000 2.719 366 M HA 0.624 5.102 4.480 -0.002 0.000 0.291 366 M C -1.605 175.136 176.300 0.735 0.000 1.264 366 M CA -1.039 54.510 55.300 0.414 0.000 0.811 366 M CB 2.157 34.815 32.600 0.095 0.000 1.756 366 M HN 0.678 nan 8.290 nan 0.000 0.464 367 F N 1.646 121.798 119.950 0.337 0.000 2.656 367 F HA 0.644 5.169 4.527 -0.003 0.000 0.326 367 F C -2.201 173.717 175.800 0.197 0.000 1.109 367 F CA -1.367 56.822 58.000 0.315 0.000 1.086 367 F CB 0.364 39.514 39.000 0.251 0.000 1.324 367 F HN 0.518 nan 8.300 nan 0.000 0.511 368 I N 1.836 122.714 120.570 0.514 0.000 3.170 368 I HA 0.679 4.848 4.170 -0.002 0.000 0.312 368 I C -0.856 175.531 176.117 0.451 0.000 1.085 368 I CA -1.404 60.084 61.300 0.315 0.000 0.999 368 I CB 2.090 40.179 38.000 0.149 0.000 1.233 368 I HN 0.451 nan 8.210 nan 0.000 0.467 369 I N 2.092 122.878 120.570 0.360 0.000 2.342 369 I HA 0.127 4.295 4.170 -0.002 0.000 0.291 369 I C 0.442 176.700 176.117 0.235 0.000 1.010 369 I CA 0.411 61.900 61.300 0.316 0.000 1.308 369 I CB 0.809 38.993 38.000 0.307 0.000 1.400 369 I HN 0.806 nan 8.210 nan 0.000 0.488 370 D N 5.228 125.749 120.400 0.202 0.000 2.201 370 D HA 0.014 4.652 4.640 -0.002 0.000 0.209 370 D C 0.506 176.889 176.300 0.139 0.000 0.961 370 D CA 1.017 55.124 54.000 0.178 0.000 0.861 370 D CB 0.687 41.578 40.800 0.153 0.000 0.997 370 D HN 0.551 nan 8.370 nan 0.000 0.486 371 K N -0.285 120.188 120.400 0.122 0.000 2.580 371 K HA 0.419 4.737 4.320 -0.002 0.000 0.258 371 K C -2.201 174.464 176.600 0.108 0.000 0.936 371 K CA -0.751 55.599 56.287 0.104 0.000 0.852 371 K CB 1.776 34.325 32.500 0.082 0.000 1.329 371 K HN -0.139 nan 8.250 nan 0.000 0.430 372 V N 2.515 122.493 119.914 0.107 0.000 2.656 372 V HA 0.584 4.703 4.120 -0.002 0.000 0.307 372 V C -1.333 174.828 176.094 0.112 0.000 1.051 372 V CA -0.462 61.904 62.300 0.109 0.000 0.893 372 V CB 1.853 33.735 31.823 0.099 0.000 0.999 372 V HN 0.902 nan 8.190 nan 0.000 0.426 373 D N 2.515 122.997 120.400 0.136 0.000 2.484 373 D HA 0.504 5.142 4.640 -0.002 0.000 0.206 373 D C 0.330 176.729 176.300 0.166 0.000 1.322 373 D CA 0.969 55.060 54.000 0.152 0.000 0.913 373 D CB 1.389 42.294 40.800 0.174 0.000 1.559 373 D HN 0.973 nan 8.370 nan 0.000 0.565 374 G N 4.188 113.037 108.800 0.081 0.000 2.622 374 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.307 374 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.307 374 G C 0.541 175.393 174.900 -0.080 0.000 1.226 374 G CA 0.613 45.710 45.100 -0.004 0.000 0.997 374 G HN 0.568 nan 8.290 nan 0.000 0.551 375 D N 0.627 120.868 120.400 -0.264 0.000 2.349 375 D HA 0.272 4.910 4.640 -0.002 0.000 0.214 375 D C 0.713 176.856 176.300 -0.261 0.000 1.063 375 D CA 0.152 53.990 54.000 -0.270 0.000 0.847 375 D CB 0.019 40.626 40.800 -0.322 0.000 0.933 375 D HN 0.146 nan 8.370 nan 0.000 0.513 376 F N 0.849 120.801 119.950 0.003 0.000 2.410 376 F HA 0.285 4.810 4.527 -0.003 0.000 0.334 376 F C 0.862 176.666 175.800 0.006 0.000 1.134 376 F CA -0.947 57.055 58.000 0.003 0.000 1.227 376 F CB 0.919 39.923 39.000 0.006 0.000 1.194 376 F HN -0.150 nan 8.300 nan 0.000 0.571 377 C N 1.982 121.410 119.300 0.213 0.000 3.241 377 C HA 0.745 5.204 4.460 -0.002 0.000 0.348 377 C C -1.293 173.749 174.990 0.086 0.000 1.180 377 C CA -0.439 58.650 59.018 0.118 0.000 1.273 377 C CB 0.769 28.547 27.740 0.064 0.000 1.620 377 C HN 1.049 nan 8.230 nan 0.000 0.510 378 S N 4.965 120.708 115.700 0.073 0.000 2.614 378 S HA 0.782 5.250 4.470 -0.002 0.000 0.275 378 S C -1.307 173.328 174.600 0.058 0.000 1.161 378 S CA -0.633 57.596 58.200 0.048 0.000 0.969 378 S CB 1.122 64.350 63.200 0.046 0.000 1.059 378 S HN 0.787 nan 8.310 nan 0.000 0.482 379 L N 2.189 123.421 121.223 0.014 0.000 2.472 379 L HA 0.631 4.970 4.340 -0.002 0.000 0.256 379 L C 0.508 177.412 176.870 0.056 0.000 1.111 379 L CA -0.344 54.519 54.840 0.037 0.000 0.800 379 L CB 0.443 42.411 42.059 -0.152 0.000 1.286 379 L HN 0.904 nan 8.230 nan 0.000 0.479 380 N N -0.544 118.237 118.700 0.135 0.000 2.703 380 N HA 0.200 4.939 4.740 -0.002 0.000 0.283 380 N C -1.167 174.393 175.510 0.084 0.000 1.851 380 N CA -0.241 52.847 53.050 0.062 0.000 0.826 380 N CB 0.433 39.040 38.487 0.201 0.000 1.239 380 N HN 0.534 nan 8.380 nan 0.000 0.495 381 E N 0.241 120.466 120.200 0.043 0.000 2.422 381 E HA 0.162 4.511 4.350 -0.002 0.000 0.260 381 E C -0.502 176.069 176.600 -0.048 0.000 1.108 381 E CA 0.483 57.026 56.400 0.239 0.000 0.943 381 E CB 0.957 30.800 29.700 0.240 0.000 0.961 381 E HN 0.245 nan 8.360 nan 0.000 0.443 382 F N -0.556 119.479 119.950 0.142 0.000 2.790 382 F HA 0.425 4.950 4.527 -0.003 0.000 0.337 382 F C -0.095 175.697 175.800 -0.013 0.000 1.163 382 F CA -0.705 57.307 58.000 0.021 0.000 0.997 382 F CB 1.914 40.895 39.000 -0.030 0.000 1.437 382 F HN 0.480 nan 8.300 nan 0.000 0.512 383 S N 0.298 116.104 115.700 0.177 0.000 2.556 383 S HA 0.884 5.352 4.470 -0.002 0.000 0.271 383 S C -1.545 173.083 174.600 0.046 0.000 1.135 383 S CA -0.637 57.583 58.200 0.033 0.000 0.858 383 S CB 2.213 65.399 63.200 -0.022 0.000 1.114 383 S HN 0.382 nan 8.310 nan 0.000 0.468 384 I N 1.387 121.955 120.570 -0.003 0.000 2.865 384 I HA 0.660 4.828 4.170 -0.002 0.000 0.302 384 I C 0.112 176.218 176.117 -0.018 0.000 1.140 384 I CA -0.322 60.975 61.300 -0.006 0.000 1.021 384 I CB 2.603 40.592 38.000 -0.019 0.000 1.233 384 I HN 0.984 nan 8.210 nan 0.000 0.427 385 T N 0.275 114.821 114.554 -0.013 0.000 2.940 385 T HA 0.909 5.258 4.350 -0.002 0.000 0.288 385 T C -0.074 174.617 174.700 -0.014 0.000 1.033 385 T CA -0.537 61.554 62.100 -0.015 0.000 1.033 385 T CB 1.690 70.552 68.868 -0.010 0.000 1.079 385 T HN 1.562 nan 8.240 nan 0.000 0.496 386 G N 0.459 109.250 108.800 -0.015 0.000 3.367 386 G HA2 0.177 4.135 3.960 -0.002 0.000 0.686 386 G HA3 0.177 4.135 3.960 -0.002 0.000 0.686 386 G C 0.197 175.085 174.900 -0.021 0.000 1.146 386 G CA 0.001 45.094 45.100 -0.011 0.000 0.913 386 G HN 1.651 nan 8.290 nan 0.000 0.554 387 S N 0.189 115.869 115.700 -0.034 0.000 2.524 387 S HA 0.365 4.834 4.470 -0.002 0.000 0.215 387 S C 1.068 175.601 174.600 -0.112 0.000 0.986 387 S CA 1.174 59.337 58.200 -0.061 0.000 0.911 387 S CB 0.539 63.702 63.200 -0.062 0.000 0.805 387 S HN 0.947 nan 8.310 nan 0.000 0.501 388 T N 1.858 116.365 114.554 -0.078 0.000 2.902 388 T HA 0.366 4.714 4.350 -0.002 0.000 0.280 388 T C 0.024 174.704 174.700 -0.034 0.000 0.992 388 T CA -0.333 61.702 62.100 -0.109 0.000 1.015 388 T CB 0.431 69.302 68.868 0.004 0.000 1.044 388 T HN 0.162 nan 8.240 nan 0.000 0.520 389 Y N 0.541 120.875 120.300 0.056 0.000 2.632 389 Y HA 0.306 4.855 4.550 -0.003 0.000 0.301 389 Y C 1.656 177.553 175.900 -0.006 0.000 1.172 389 Y CA -0.952 57.165 58.100 0.028 0.000 1.328 389 Y CB -1.183 37.308 38.460 0.051 0.000 1.016 389 Y HN 0.626 nan 8.280 nan 0.000 0.529 390 A N 1.730 124.658 122.820 0.180 0.000 2.520 390 A HA 0.212 4.531 4.320 -0.002 0.000 0.245 390 A C -1.978 175.549 177.584 -0.095 0.000 1.072 390 A CA -1.122 50.973 52.037 0.097 0.000 0.761 390 A CB -0.135 19.069 19.000 0.339 0.000 1.004 390 A HN 0.053 nan 8.150 nan 0.000 0.499 391 P HA 0.200 nan 4.420 nan 0.000 0.232 391 P C -0.958 176.282 177.300 -0.101 0.000 1.738 391 P CA 0.537 63.511 63.100 -0.209 0.000 0.948 391 P CB -0.436 31.081 31.700 -0.305 0.000 1.943 392 E N 0.630 120.806 120.200 -0.040 0.000 2.343 392 E HA 0.660 5.008 4.350 -0.002 0.000 0.260 392 E C 0.049 176.645 176.600 -0.006 0.000 0.908 392 E CA -0.725 55.670 56.400 -0.009 0.000 0.814 392 E CB 1.909 31.626 29.700 0.029 0.000 1.302 392 E HN 0.244 nan 8.360 nan 0.000 0.408 393 G N 2.255 111.048 108.800 -0.012 0.000 2.342 393 G HA2 0.421 4.379 3.960 -0.002 0.000 0.297 393 G HA3 0.421 4.379 3.960 -0.002 0.000 0.297 393 G C -1.720 173.175 174.900 -0.010 0.000 1.313 393 G CA -0.833 44.261 45.100 -0.009 0.000 0.830 393 G HN 0.454 nan 8.290 nan 0.000 0.506 394 E N -1.410 118.787 120.200 -0.004 0.000 2.367 394 E HA 0.706 5.054 4.350 -0.002 0.000 0.273 394 E C -1.309 175.298 176.600 0.011 0.000 0.903 394 E CA -1.026 55.376 56.400 0.004 0.000 0.764 394 E CB 2.526 32.234 29.700 0.014 0.000 1.252 394 E HN 0.399 nan 8.360 nan 0.000 0.446 395 V N 2.110 122.039 119.914 0.024 0.000 2.612 395 V HA 0.523 4.641 4.120 -0.002 0.000 0.301 395 V C -0.265 175.898 176.094 0.115 0.000 1.046 395 V CA -0.632 61.701 62.300 0.055 0.000 0.946 395 V CB 0.937 32.764 31.823 0.006 0.000 1.003 395 V HN 0.549 nan 8.190 nan 0.000 0.459 396 L N 2.880 124.198 121.223 0.158 0.000 2.455 396 L HA 0.646 4.984 4.340 -0.002 0.000 0.264 396 L C -0.863 176.047 176.870 0.067 0.000 0.968 396 L CA -0.896 54.011 54.840 0.112 0.000 0.827 396 L CB 2.126 44.214 42.059 0.047 0.000 1.317 396 L HN 0.455 nan 8.230 nan 0.000 0.407 397 K N 2.483 122.864 120.400 -0.032 0.000 2.293 397 K HA 0.425 4.743 4.320 -0.002 0.000 0.267 397 K C -0.243 176.295 176.600 -0.104 0.000 1.010 397 K CA -0.115 56.038 56.287 -0.224 0.000 0.875 397 K CB 0.548 32.850 32.500 -0.330 0.000 1.106 397 K HN 0.587 nan 8.250 nan 0.000 0.450 398 N N 4.972 123.613 118.700 -0.097 0.000 2.696 398 N HA -0.204 4.534 4.740 -0.002 0.000 0.256 398 N C -0.926 174.565 175.510 -0.031 0.000 1.031 398 N CA 1.229 54.246 53.050 -0.056 0.000 0.730 398 N CB -0.868 37.589 38.487 -0.051 0.000 0.894 398 N HN 0.898 nan 8.380 nan 0.000 0.544 399 D N -2.080 118.305 120.400 -0.025 0.000 2.955 399 D HA -0.216 4.423 4.640 -0.002 0.000 0.205 399 D C -0.004 176.297 176.300 0.002 0.000 1.104 399 D CA 1.557 55.550 54.000 -0.011 0.000 1.005 399 D CB -0.602 40.191 40.800 -0.013 0.000 1.123 399 D HN 0.637 nan 8.370 nan 0.000 0.407 400 K N 1.688 122.091 120.400 0.004 0.000 2.285 400 K HA 0.272 4.591 4.320 -0.002 0.000 0.286 400 K C -2.203 174.422 176.600 0.042 0.000 1.072 400 K CA -1.432 54.867 56.287 0.020 0.000 0.913 400 K CB 1.330 33.841 32.500 0.018 0.000 1.067 400 K HN 0.049 nan 8.250 nan 0.000 0.479 401 P HA -0.030 nan 4.420 nan 0.000 0.269 401 P C -0.347 177.012 177.300 0.098 0.000 1.205 401 P CA 0.538 63.677 63.100 0.064 0.000 0.780 401 P CB 0.774 32.502 31.700 0.046 0.000 0.858 402 I N 0.038 120.683 120.570 0.126 0.000 3.004 402 I HA 0.328 4.496 4.170 -0.002 0.000 0.305 402 I C 0.228 176.438 176.117 0.155 0.000 1.312 402 I CA -1.077 60.335 61.300 0.187 0.000 0.992 402 I CB 2.637 40.827 38.000 0.316 0.000 1.282 402 I HN 0.130 nan 8.210 nan 0.000 0.449 403 R N 1.917 122.524 120.500 0.177 0.000 2.215 403 R HA 0.342 4.681 4.340 -0.002 0.000 0.336 403 R C 0.711 177.124 176.300 0.188 0.000 0.996 403 R CA -0.333 55.841 56.100 0.124 0.000 0.847 403 R CB 1.392 31.744 30.300 0.087 0.000 1.127 403 R HN 0.638 nan 8.270 nan 0.000 0.465 404 S N 1.809 117.570 115.700 0.103 0.000 2.407 404 S HA -0.199 4.270 4.470 -0.002 0.000 0.235 404 S C 2.026 176.713 174.600 0.146 0.000 1.036 404 S CA 1.580 59.825 58.200 0.074 0.000 1.013 404 S CB -0.114 63.019 63.200 -0.111 0.000 0.820 404 S HN 0.920 nan 8.310 nan 0.000 0.476 405 G N 1.482 110.326 108.800 0.073 0.000 2.469 405 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.219 405 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.219 405 G C 1.169 176.112 174.900 0.072 0.000 1.150 405 G CA 0.780 45.914 45.100 0.057 0.000 0.763 405 G HN 0.556 nan 8.290 nan 0.000 0.561 406 Q N -0.677 119.150 119.800 0.045 0.000 2.585 406 Q HA -0.009 4.330 4.340 -0.002 0.000 0.219 406 Q C -0.433 175.337 176.000 -0.383 0.000 0.984 406 Q CA 0.338 56.037 55.803 -0.174 0.000 0.915 406 Q CB -0.127 28.442 28.738 -0.282 0.000 0.967 406 Q HN 0.537 nan 8.270 nan 0.000 0.530 407 F N -0.713 119.255 119.950 0.031 0.000 2.518 407 F HA 0.215 4.740 4.527 -0.002 0.000 0.323 407 F C 0.583 176.382 175.800 -0.002 0.000 1.129 407 F CA -1.016 57.007 58.000 0.037 0.000 0.920 407 F CB 1.611 40.649 39.000 0.063 0.000 1.160 407 F HN -0.181 nan 8.300 nan 0.000 0.440 408 D N 2.113 122.611 120.400 0.164 0.000 2.213 408 D HA -0.027 4.611 4.640 -0.002 0.000 0.205 408 D C 2.210 178.549 176.300 0.066 0.000 0.961 408 D CA 0.908 54.961 54.000 0.090 0.000 0.853 408 D CB -0.034 40.807 40.800 0.068 0.000 0.967 408 D HN 0.837 nan 8.370 nan 0.000 0.496 409 G N 1.195 110.060 108.800 0.108 0.000 2.450 409 G HA2 -0.188 3.770 3.960 -0.002 0.000 0.220 409 G HA3 -0.188 3.770 3.960 -0.002 0.000 0.220 409 G C 1.700 176.573 174.900 -0.044 0.000 1.130 409 G CA 0.275 45.402 45.100 0.046 0.000 0.760 409 G HN 0.238 nan 8.290 nan 0.000 0.557 410 L N 0.813 122.009 121.223 -0.044 0.000 2.270 410 L HA 0.028 4.366 4.340 -0.002 0.000 0.210 410 L C 3.020 179.781 176.870 -0.182 0.000 1.104 410 L CA 0.611 55.344 54.840 -0.179 0.000 0.804 410 L CB -0.330 41.565 42.059 -0.274 0.000 0.937 410 L HN 0.256 nan 8.230 nan 0.000 0.450 411 V N -2.107 117.734 119.914 -0.122 0.000 2.407 411 V HA -0.253 3.866 4.120 -0.002 0.000 0.248 411 V C 2.051 178.031 176.094 -0.189 0.000 1.055 411 V CA 1.978 64.171 62.300 -0.178 0.000 1.049 411 V CB -0.454 31.335 31.823 -0.056 0.000 0.662 411 V HN 0.482 nan 8.190 nan 0.000 0.455 412 E N -0.007 120.104 120.200 -0.149 0.000 2.076 412 E HA -0.084 4.265 4.350 -0.002 0.000 0.190 412 E C 2.175 178.621 176.600 -0.256 0.000 0.979 412 E CA 1.098 57.383 56.400 -0.191 0.000 0.807 412 E CB -0.108 29.511 29.700 -0.134 0.000 0.761 412 E HN 0.690 nan 8.360 nan 0.000 0.454 413 L N 0.590 121.673 121.223 -0.233 0.000 2.043 413 L HA -0.232 4.106 4.340 -0.002 0.000 0.212 413 L C 2.349 179.068 176.870 -0.252 0.000 1.075 413 L CA 1.918 56.608 54.840 -0.251 0.000 0.752 413 L CB -0.301 41.611 42.059 -0.244 0.000 0.891 413 L HN 0.168 nan 8.230 nan 0.000 0.432 414 A N -0.483 122.184 122.820 -0.255 0.000 1.877 414 A HA -0.227 4.091 4.320 -0.002 0.000 0.216 414 A C 2.367 179.796 177.584 -0.258 0.000 1.186 414 A CA 2.354 54.241 52.037 -0.249 0.000 0.620 414 A CB -1.333 17.500 19.000 -0.278 0.000 0.822 414 A HN 0.645 nan 8.150 nan 0.000 0.443 415 T N -0.668 113.708 114.554 -0.297 0.000 2.684 415 T HA -0.150 4.199 4.350 -0.002 0.000 0.267 415 T C 1.840 176.266 174.700 -0.456 0.000 1.036 415 T CA 1.548 63.447 62.100 -0.335 0.000 1.148 415 T CB -0.718 67.936 68.868 -0.355 0.000 0.863 415 T HN 0.370 nan 8.240 nan 0.000 0.436 416 I N 1.109 121.359 120.570 -0.534 0.000 2.208 416 I HA -0.181 3.988 4.170 -0.002 0.000 0.245 416 I C 2.861 178.837 176.117 -0.234 0.000 1.097 416 I CA 1.118 62.133 61.300 -0.475 0.000 1.363 416 I CB -0.807 36.989 38.000 -0.341 0.000 1.051 416 I HN 0.384 nan 8.210 nan 0.000 0.413 417 C N 0.856 120.036 119.300 -0.201 0.000 2.422 417 C HA -0.088 4.371 4.460 -0.002 0.000 0.279 417 C C 3.063 177.987 174.990 -0.109 0.000 1.305 417 C CA 0.998 59.937 59.018 -0.132 0.000 1.757 417 C CB -1.246 26.414 27.740 -0.133 0.000 1.962 417 C HN 0.611 nan 8.230 nan 0.000 0.499 418 A N -0.400 122.342 122.820 -0.129 0.000 1.984 418 A HA 0.197 4.515 4.320 -0.002 0.000 0.214 418 A C 2.020 179.574 177.584 -0.051 0.000 1.173 418 A CA 0.794 52.778 52.037 -0.088 0.000 0.673 418 A CB -0.250 18.696 19.000 -0.091 0.000 0.830 418 A HN 0.557 nan 8.150 nan 0.000 0.453 419 L N -1.387 119.802 121.223 -0.058 0.000 2.145 419 L HA 0.033 4.371 4.340 -0.002 0.000 0.201 419 L C 1.359 178.268 176.870 0.066 0.000 1.075 419 L CA 0.300 55.158 54.840 0.030 0.000 0.773 419 L CB -0.249 41.875 42.059 0.109 0.000 0.936 419 L HN 0.390 nan 8.230 nan 0.000 0.451 420 C N 2.900 122.236 119.300 0.060 0.000 2.400 420 C HA 0.329 4.788 4.460 -0.002 0.000 0.457 420 C C 0.092 175.105 174.990 0.038 0.000 1.020 420 C CA -0.324 58.741 59.018 0.078 0.000 1.258 420 C CB -2.236 25.564 27.740 0.100 0.000 1.532 420 C HN 0.418 nan 8.230 nan 0.000 0.537 421 N N 2.846 121.566 118.700 0.034 0.000 2.777 421 N HA 0.102 4.841 4.740 -0.002 0.000 0.260 421 N C -0.373 175.147 175.510 0.017 0.000 1.113 421 N CA -0.181 52.877 53.050 0.013 0.000 0.996 421 N CB 1.140 39.618 38.487 -0.014 0.000 1.584 421 N HN 0.483 nan 8.380 nan 0.000 0.573 422 D N 0.564 120.976 120.400 0.020 0.000 2.349 422 D HA 0.111 4.750 4.640 -0.002 0.000 0.215 422 D C 0.162 176.463 176.300 0.002 0.000 1.016 422 D CA 0.614 54.627 54.000 0.022 0.000 0.870 422 D CB 0.607 41.429 40.800 0.035 0.000 0.917 422 D HN 0.344 nan 8.370 nan 0.000 0.524 423 S N -0.407 115.282 115.700 -0.018 0.000 2.758 423 S HA 0.690 5.158 4.470 -0.002 0.000 0.292 423 S C 0.379 174.952 174.600 -0.045 0.000 1.131 423 S CA -0.607 57.570 58.200 -0.039 0.000 0.997 423 S CB 1.910 65.069 63.200 -0.068 0.000 1.111 423 S HN 0.238 nan 8.310 nan 0.000 0.552 424 S N -0.821 114.843 115.700 -0.060 0.000 2.703 424 S HA 0.653 5.121 4.470 -0.002 0.000 0.273 424 S C -1.541 173.021 174.600 -0.064 0.000 1.178 424 S CA -0.946 57.222 58.200 -0.053 0.000 0.838 424 S CB 0.317 63.504 63.200 -0.022 0.000 1.178 424 S HN 0.475 nan 8.310 nan 0.000 0.494 425 L N 0.554 121.756 121.223 -0.035 0.000 2.286 425 L HA 0.873 5.211 4.340 -0.002 0.000 0.265 425 L C -1.252 175.655 176.870 0.061 0.000 1.012 425 L CA -0.571 54.267 54.840 -0.003 0.000 0.818 425 L CB 1.867 43.912 42.059 -0.023 0.000 1.337 425 L HN 0.981 nan 8.230 nan 0.000 0.438 426 D N -0.329 120.154 120.400 0.139 0.000 2.836 426 D HA 0.329 4.967 4.640 -0.002 0.000 0.215 426 D C -1.754 174.735 176.300 0.315 0.000 1.255 426 D CA -0.422 53.688 54.000 0.183 0.000 0.822 426 D CB 1.635 42.493 40.800 0.096 0.000 1.656 426 D HN 0.222 nan 8.370 nan 0.000 0.511 427 F N 3.303 123.372 119.950 0.198 0.000 2.450 427 F HA 0.586 5.112 4.527 -0.002 0.000 0.332 427 F C -0.567 175.253 175.800 0.034 0.000 1.093 427 F CA -0.564 57.519 58.000 0.138 0.000 1.003 427 F CB 1.045 40.131 39.000 0.143 0.000 1.151 427 F HN 0.484 nan 8.300 nan 0.000 0.474 428 N N 2.450 120.505 118.700 -1.075 0.000 2.292 428 N HA 0.384 5.123 4.740 -0.002 0.000 0.303 428 N C -0.536 174.287 175.510 -1.145 0.000 1.140 428 N CA -0.716 51.857 53.050 -0.796 0.000 0.788 428 N CB 2.055 40.310 38.487 -0.386 0.000 1.361 428 N HN 0.482 nan 8.380 nan 0.000 0.489 429 E N -0.003 119.864 120.200 -0.554 0.000 2.250 429 E HA -0.013 4.335 4.350 -0.002 0.000 0.192 429 E C 1.205 177.682 176.600 -0.205 0.000 0.986 429 E CA 0.887 57.101 56.400 -0.310 0.000 0.849 429 E CB -0.124 29.517 29.700 -0.099 0.000 0.797 429 E HN 0.701 nan 8.360 nan 0.000 0.482 430 T N 1.179 115.618 114.554 -0.192 0.000 2.624 430 T HA -0.201 4.147 4.350 -0.002 0.000 0.268 430 T C 1.357 175.991 174.700 -0.110 0.000 1.041 430 T CA 1.786 63.813 62.100 -0.121 0.000 1.159 430 T CB -0.119 68.685 68.868 -0.106 0.000 0.863 430 T HN 0.106 nan 8.240 nan 0.000 0.434 431 K N -0.315 119.995 120.400 -0.150 0.000 2.402 431 K HA 0.377 4.695 4.320 -0.002 0.000 0.204 431 K C 1.198 177.736 176.600 -0.103 0.000 1.056 431 K CA 0.285 56.511 56.287 -0.103 0.000 1.069 431 K CB 1.010 33.463 32.500 -0.078 0.000 0.888 431 K HN 0.345 nan 8.250 nan 0.000 0.546 432 G N 1.898 110.583 108.800 -0.191 0.000 2.258 432 G HA2 -0.254 3.704 3.960 -0.002 0.000 0.274 432 G HA3 -0.254 3.704 3.960 -0.002 0.000 0.274 432 G C 0.115 175.072 174.900 0.096 0.000 1.021 432 G CA 0.509 45.594 45.100 -0.025 0.000 0.798 432 G HN 0.136 nan 8.290 nan 0.000 0.507 433 V N -0.716 119.134 119.914 -0.107 0.000 2.881 433 V HA 0.635 4.753 4.120 -0.002 0.000 0.316 433 V C -0.037 176.060 176.094 0.004 0.000 1.070 433 V CA -1.386 60.899 62.300 -0.025 0.000 0.976 433 V CB 1.641 33.466 31.823 0.004 0.000 1.038 433 V HN 0.155 nan 8.190 nan 0.000 0.446 434 Y N 1.589 122.037 120.300 0.247 0.000 2.350 434 Y HA 0.434 4.982 4.550 -0.002 0.000 0.340 434 Y C 0.600 176.614 175.900 0.190 0.000 1.006 434 Y CA -0.508 57.742 58.100 0.250 0.000 1.166 434 Y CB 0.621 39.217 38.460 0.227 0.000 1.168 434 Y HN 0.595 nan 8.280 nan 0.000 0.502 435 E N 2.698 123.074 120.200 0.293 0.000 2.183 435 E HA 0.235 4.583 4.350 -0.002 0.000 0.271 435 E C -0.777 175.905 176.600 0.137 0.000 0.919 435 E CA -1.277 55.247 56.400 0.207 0.000 0.781 435 E CB 1.824 31.585 29.700 0.103 0.000 1.140 435 E HN 0.391 nan 8.360 nan 0.000 0.402 436 K N 2.512 122.972 120.400 0.100 0.000 2.447 436 K HA 0.017 4.335 4.320 -0.002 0.000 0.281 436 K C 0.175 176.739 176.600 -0.060 0.000 1.031 436 K CA -0.125 56.084 56.287 -0.131 0.000 1.019 436 K CB 0.596 32.961 32.500 -0.225 0.000 0.918 436 K HN 0.344 nan 8.250 nan 0.000 0.476 437 V N 4.413 124.280 119.914 -0.078 0.000 2.339 437 V HA -0.022 4.097 4.120 -0.002 0.000 0.234 437 V C 1.842 177.911 176.094 -0.043 0.000 1.053 437 V CA 1.765 64.042 62.300 -0.038 0.000 1.042 437 V CB -0.633 31.175 31.823 -0.024 0.000 0.678 437 V HN 1.058 nan 8.190 nan 0.000 0.475 438 G N -0.622 108.142 108.800 -0.059 0.000 2.751 438 G HA2 -0.000 3.958 3.960 -0.002 0.000 0.187 438 G HA3 -0.000 3.958 3.960 -0.002 0.000 0.187 438 G C 0.296 175.163 174.900 -0.055 0.000 1.733 438 G CA 0.181 45.253 45.100 -0.046 0.000 0.898 438 G HN 0.465 nan 8.290 nan 0.000 0.408 439 E N -0.835 119.324 120.200 -0.067 0.000 2.227 439 E HA 0.553 4.901 4.350 -0.002 0.000 0.268 439 E C 1.289 177.829 176.600 -0.099 0.000 0.990 439 E CA -0.232 56.129 56.400 -0.064 0.000 0.856 439 E CB 1.882 31.549 29.700 -0.056 0.000 1.159 439 E HN 0.234 nan 8.360 nan 0.000 0.401 440 A N 1.567 124.351 122.820 -0.061 0.000 1.877 440 A HA -0.170 4.148 4.320 -0.002 0.000 0.216 440 A C 2.105 179.670 177.584 -0.031 0.000 1.186 440 A CA 2.263 54.278 52.037 -0.037 0.000 0.620 440 A CB -1.137 17.908 19.000 0.075 0.000 0.822 440 A HN 0.770 nan 8.150 nan 0.000 0.443 441 T N -2.563 111.977 114.554 -0.023 0.000 3.055 441 T HA 0.015 4.363 4.350 -0.002 0.000 0.265 441 T C 1.444 176.120 174.700 -0.039 0.000 1.111 441 T CA 1.494 63.587 62.100 -0.013 0.000 1.118 441 T CB -0.144 68.712 68.868 -0.020 0.000 0.909 441 T HN 0.602 nan 8.240 nan 0.000 0.501 442 E N 0.151 120.309 120.200 -0.069 0.000 2.166 442 E HA 0.023 4.372 4.350 -0.002 0.000 0.192 442 E C 2.178 178.713 176.600 -0.109 0.000 0.967 442 E CA 0.743 57.101 56.400 -0.071 0.000 0.840 442 E CB -0.106 29.559 29.700 -0.060 0.000 0.795 442 E HN 0.411 nan 8.360 nan 0.000 0.470 443 T N 0.173 114.620 114.554 -0.179 0.000 2.977 443 T HA -0.076 4.273 4.350 -0.002 0.000 0.271 443 T C 1.695 176.224 174.700 -0.285 0.000 1.105 443 T CA 1.120 63.050 62.100 -0.282 0.000 1.116 443 T CB -0.065 68.523 68.868 -0.468 0.000 0.878 443 T HN 0.198 nan 8.240 nan 0.000 0.509 444 A N 0.489 123.209 122.820 -0.166 0.000 1.970 444 A HA 0.245 4.563 4.320 -0.002 0.000 0.216 444 A C 2.245 179.819 177.584 -0.015 0.000 1.170 444 A CA 0.670 52.706 52.037 -0.001 0.000 0.645 444 A CB -0.469 18.593 19.000 0.102 0.000 0.816 444 A HN 0.554 nan 8.150 nan 0.000 0.447 445 L N 0.028 121.224 121.223 -0.044 0.000 2.093 445 L HA -0.141 4.197 4.340 -0.002 0.000 0.208 445 L C 3.060 179.889 176.870 -0.068 0.000 1.085 445 L CA 1.807 56.616 54.840 -0.051 0.000 0.755 445 L CB -0.833 41.195 42.059 -0.052 0.000 0.904 445 L HN 0.658 nan 8.230 nan 0.000 0.435 446 T N -4.028 110.480 114.554 -0.077 0.000 2.788 446 T HA -0.181 4.168 4.350 -0.002 0.000 0.268 446 T C 1.811 176.463 174.700 -0.080 0.000 1.044 446 T CA 1.826 63.879 62.100 -0.079 0.000 1.139 446 T CB -0.540 68.279 68.868 -0.081 0.000 0.867 446 T HN 0.177 nan 8.240 nan 0.000 0.454 447 T N 2.261 116.775 114.554 -0.068 0.000 2.708 447 T HA 0.015 4.364 4.350 -0.002 0.000 0.266 447 T C 1.788 176.455 174.700 -0.054 0.000 1.037 447 T CA 1.373 63.443 62.100 -0.050 0.000 1.146 447 T CB -0.607 68.276 68.868 0.026 0.000 0.865 447 T HN 0.321 nan 8.240 nan 0.000 0.435 448 L N 1.460 122.655 121.223 -0.048 0.000 2.043 448 L HA -0.077 4.262 4.340 -0.002 0.000 0.212 448 L C 2.409 179.223 176.870 -0.094 0.000 1.075 448 L CA 1.550 56.352 54.840 -0.063 0.000 0.752 448 L CB -0.897 41.124 42.059 -0.063 0.000 0.891 448 L HN 0.067 nan 8.230 nan 0.000 0.432 449 V N 0.068 119.920 119.914 -0.103 0.000 2.282 449 V HA -0.296 3.823 4.120 -0.002 0.000 0.249 449 V C 2.718 178.741 176.094 -0.118 0.000 1.057 449 V CA 2.077 64.302 62.300 -0.125 0.000 1.032 449 V CB -0.697 31.055 31.823 -0.118 0.000 0.645 449 V HN 0.518 nan 8.190 nan 0.000 0.447 450 E N 0.040 120.179 120.200 -0.101 0.000 2.110 450 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 450 E C 2.107 178.653 176.600 -0.089 0.000 0.988 450 E CA 0.965 57.307 56.400 -0.096 0.000 0.804 450 E CB -0.248 29.386 29.700 -0.110 0.000 0.745 450 E HN 0.578 nan 8.360 nan 0.000 0.458 451 K N 0.309 120.657 120.400 -0.086 0.000 2.525 451 K HA 0.052 4.371 4.320 -0.002 0.000 0.192 451 K C 1.600 178.152 176.600 -0.080 0.000 1.029 451 K CA 0.439 56.683 56.287 -0.072 0.000 1.029 451 K CB 0.044 32.509 32.500 -0.058 0.000 0.814 451 K HN 0.204 nan 8.250 nan 0.000 0.503 452 M N -0.664 118.872 119.600 -0.106 0.000 2.821 452 M HA 0.152 4.630 4.480 -0.002 0.000 0.432 452 M C -0.483 175.727 176.300 -0.150 0.000 1.291 452 M CA -0.666 54.558 55.300 -0.126 0.000 0.838 452 M CB 0.131 32.628 32.600 -0.172 0.000 1.505 452 M HN -0.163 nan 8.290 nan 0.000 0.523 453 N N 1.832 120.453 118.700 -0.132 0.000 2.000 453 N HA -0.112 4.626 4.740 -0.002 0.000 0.272 453 N C 0.642 176.027 175.510 -0.208 0.000 1.342 453 N CA 0.490 53.448 53.050 -0.153 0.000 1.082 453 N CB -0.380 38.064 38.487 -0.072 0.000 1.491 453 N HN 0.384 nan 8.380 nan 0.000 0.473 454 V N 0.829 120.514 119.914 -0.381 0.000 2.495 454 V HA -0.304 3.814 4.120 -0.002 0.000 0.260 454 V C 1.292 177.162 176.094 -0.373 0.000 1.097 454 V CA 1.840 63.856 62.300 -0.473 0.000 1.105 454 V CB -0.892 30.471 31.823 -0.767 0.000 0.678 454 V HN 0.544 nan 8.190 nan 0.000 0.469 455 F N -0.392 119.545 119.950 -0.022 0.000 2.749 455 F HA 0.311 4.837 4.527 -0.002 0.000 0.300 455 F C 1.450 177.243 175.800 -0.011 0.000 1.103 455 F CA -0.481 57.510 58.000 -0.016 0.000 1.342 455 F CB -0.662 38.327 39.000 -0.020 0.000 1.098 455 F HN 0.222 nan 8.300 nan 0.000 0.586 456 N N -0.528 118.237 118.700 0.109 0.000 2.878 456 N HA -0.172 4.566 4.740 -0.002 0.000 0.247 456 N C 0.240 175.792 175.510 0.070 0.000 1.021 456 N CA 1.060 54.151 53.050 0.069 0.000 0.873 456 N CB -2.037 36.491 38.487 0.068 0.000 1.128 456 N HN 0.430 nan 8.380 nan 0.000 0.571 457 T N -0.091 114.524 114.554 0.101 0.000 2.849 457 T HA 0.019 4.368 4.350 -0.002 0.000 0.289 457 T C 0.493 175.217 174.700 0.040 0.000 1.010 457 T CA -0.021 62.124 62.100 0.076 0.000 1.161 457 T CB 0.994 69.922 68.868 0.100 0.000 0.989 457 T HN -0.014 nan 8.240 nan 0.000 0.523 458 E N 1.849 122.066 120.200 0.029 0.000 2.502 458 E HA 0.108 4.457 4.350 -0.002 0.000 0.261 458 E C 0.525 177.133 176.600 0.012 0.000 0.974 458 E CA 0.001 56.411 56.400 0.017 0.000 0.936 458 E CB 1.366 31.074 29.700 0.013 0.000 0.926 458 E HN 0.627 nan 8.360 nan 0.000 0.459 459 V N 4.160 124.078 119.914 0.006 0.000 3.188 459 V HA -0.048 4.070 4.120 -0.002 0.000 0.258 459 V C 1.676 177.768 176.094 -0.003 0.000 1.702 459 V CA 0.546 62.847 62.300 0.000 0.000 1.020 459 V CB 0.068 31.888 31.823 -0.005 0.000 0.884 459 V HN 0.716 nan 8.190 nan 0.000 0.399 460 R N 0.627 121.126 120.500 -0.002 0.000 2.341 460 R HA 0.006 4.345 4.340 -0.002 0.000 0.213 460 R C 0.625 176.923 176.300 -0.003 0.000 1.082 460 R CA 1.847 57.944 56.100 -0.004 0.000 1.017 460 R CB -0.821 29.478 30.300 -0.002 0.000 0.860 460 R HN 0.626 nan 8.270 nan 0.000 0.473 461 N N 0.619 119.319 118.700 -0.001 0.000 2.327 461 N HA 0.233 4.972 4.740 -0.002 0.000 0.231 461 N C -0.923 174.588 175.510 0.000 0.000 1.130 461 N CA -0.090 52.960 53.050 0.000 0.000 0.845 461 N CB 0.458 38.947 38.487 0.003 0.000 1.073 461 N HN 0.084 nan 8.380 nan 0.000 0.496 462 L N -0.319 120.903 121.223 -0.003 0.000 2.393 462 L HA 0.454 4.792 4.340 -0.002 0.000 0.260 462 L C 0.463 177.326 176.870 -0.011 0.000 1.002 462 L CA -0.996 53.843 54.840 -0.002 0.000 0.818 462 L CB 1.896 43.955 42.059 0.001 0.000 1.369 462 L HN 0.101 nan 8.230 nan 0.000 0.412 463 S N 0.534 116.228 115.700 -0.010 0.000 2.602 463 S HA 0.227 4.695 4.470 -0.002 0.000 0.257 463 S C 0.628 175.194 174.600 -0.058 0.000 1.250 463 S CA -0.338 57.843 58.200 -0.032 0.000 0.986 463 S CB 0.706 63.899 63.200 -0.012 0.000 1.040 463 S HN 0.667 nan 8.310 nan 0.000 0.562 464 K N -0.551 119.756 120.400 -0.156 0.000 2.323 464 K HA 0.195 4.513 4.320 -0.002 0.000 0.197 464 K C 1.698 178.247 176.600 -0.086 0.000 1.043 464 K CA 0.399 56.531 56.287 -0.258 0.000 0.997 464 K CB -0.216 31.756 32.500 -0.881 0.000 0.807 464 K HN 0.353 nan 8.250 nan 0.000 0.497 465 V N 2.451 122.389 119.914 0.040 0.000 2.970 465 V HA -0.176 3.943 4.120 -0.002 0.000 0.260 465 V C 1.968 178.159 176.094 0.161 0.000 1.100 465 V CA 1.819 64.271 62.300 0.253 0.000 1.122 465 V CB -0.580 31.388 31.823 0.241 0.000 0.721 465 V HN 0.445 nan 8.190 nan 0.000 0.483 466 E N 0.248 120.501 120.200 0.089 0.000 2.434 466 E HA -0.027 4.322 4.350 -0.002 0.000 0.207 466 E C 2.099 178.720 176.600 0.035 0.000 0.929 466 E CA -0.198 56.237 56.400 0.060 0.000 1.001 466 E CB -0.223 29.501 29.700 0.039 0.000 1.016 466 E HN 0.343 nan 8.360 nan 0.000 0.502 467 R N 1.877 122.393 120.500 0.026 0.000 2.193 467 R HA -0.005 4.334 4.340 -0.002 0.000 0.229 467 R C 1.949 178.213 176.300 -0.060 0.000 1.110 467 R CA 1.448 57.539 56.100 -0.015 0.000 0.988 467 R CB -0.613 29.680 30.300 -0.013 0.000 0.871 467 R HN 0.291 nan 8.270 nan 0.000 0.458 468 A N 0.880 123.697 122.820 -0.006 0.000 1.848 468 A HA -0.177 4.141 4.320 -0.002 0.000 0.217 468 A C 1.089 178.636 177.584 -0.062 0.000 1.220 468 A CA 1.893 53.903 52.037 -0.044 0.000 0.645 468 A CB -0.518 18.551 19.000 0.114 0.000 0.842 468 A HN 0.463 nan 8.150 nan 0.000 0.451 469 N N -0.425 118.268 118.700 -0.012 0.000 2.671 469 N HA 0.476 5.215 4.740 -0.002 0.000 0.303 469 N C 0.728 176.232 175.510 -0.011 0.000 1.351 469 N CA 0.653 53.693 53.050 -0.017 0.000 0.991 469 N CB 0.680 39.166 38.487 -0.001 0.000 1.307 469 N HN 0.490 nan 8.380 nan 0.000 0.512 470 A N -0.186 122.622 122.820 -0.019 0.000 1.831 470 A HA -0.059 4.259 4.320 -0.002 0.000 0.213 470 A C 2.077 179.660 177.584 -0.001 0.000 1.223 470 A CA 0.915 52.948 52.037 -0.006 0.000 0.604 470 A CB -0.628 18.365 19.000 -0.011 0.000 0.878 470 A HN 0.482 nan 8.150 nan 0.000 0.450 471 C N 0.456 119.746 119.300 -0.016 0.000 2.449 471 C HA 0.001 4.459 4.460 -0.002 0.000 0.283 471 C C 2.508 177.489 174.990 -0.015 0.000 1.453 471 C CA 0.682 59.694 59.018 -0.011 0.000 1.779 471 C CB -1.679 26.032 27.740 -0.049 0.000 1.779 471 C HN 0.575 nan 8.230 nan 0.000 0.546 472 N N 1.206 119.892 118.700 -0.023 0.000 2.220 472 N HA -0.085 4.654 4.740 -0.002 0.000 0.182 472 N C 2.036 177.548 175.510 0.003 0.000 1.023 472 N CA 1.685 54.720 53.050 -0.024 0.000 0.856 472 N CB -0.247 38.218 38.487 -0.035 0.000 0.997 472 N HN 0.603 nan 8.380 nan 0.000 0.429 473 S N 1.074 116.781 115.700 0.010 0.000 2.442 473 S HA -0.107 4.362 4.470 -0.002 0.000 0.236 473 S C 2.299 176.920 174.600 0.036 0.000 1.007 473 S CA 1.291 59.503 58.200 0.021 0.000 0.965 473 S CB -0.933 62.278 63.200 0.019 0.000 0.773 473 S HN 0.224 nan 8.310 nan 0.000 0.504 474 V N 0.667 120.614 119.914 0.055 0.000 2.270 474 V HA -0.023 4.096 4.120 -0.002 0.000 0.245 474 V C 2.258 178.417 176.094 0.109 0.000 1.043 474 V CA 1.519 63.872 62.300 0.087 0.000 1.014 474 V CB -1.054 30.864 31.823 0.159 0.000 0.645 474 V HN 0.523 nan 8.190 nan 0.000 0.447 475 I N 0.077 120.721 120.570 0.123 0.000 2.454 475 I HA -0.147 4.022 4.170 -0.002 0.000 0.254 475 I C 3.023 179.178 176.117 0.063 0.000 1.156 475 I CA 1.533 62.901 61.300 0.115 0.000 1.433 475 I CB -0.426 37.596 38.000 0.035 0.000 1.082 475 I HN 0.278 nan 8.210 nan 0.000 0.432 476 R N 0.624 121.150 120.500 0.045 0.000 2.115 476 R HA -0.124 4.214 4.340 -0.002 0.000 0.230 476 R C 1.679 178.002 176.300 0.039 0.000 1.111 476 R CA 0.973 57.095 56.100 0.038 0.000 0.976 476 R CB -0.140 30.177 30.300 0.028 0.000 0.870 476 R HN 0.511 nan 8.270 nan 0.000 0.445 477 Q N 0.183 120.004 119.800 0.035 0.000 2.319 477 Q HA 0.090 4.428 4.340 -0.002 0.000 0.202 477 Q C 1.593 177.604 176.000 0.018 0.000 0.896 477 Q CA 0.088 55.905 55.803 0.023 0.000 0.942 477 Q CB 0.491 29.238 28.738 0.014 0.000 1.083 477 Q HN 0.292 nan 8.270 nan 0.000 0.510 478 L N -0.580 120.663 121.223 0.032 0.000 2.416 478 L HA 0.215 4.553 4.340 -0.002 0.000 0.216 478 L C 0.076 176.972 176.870 0.043 0.000 1.098 478 L CA 0.391 55.246 54.840 0.025 0.000 0.840 478 L CB 0.608 42.696 42.059 0.049 0.000 0.981 478 L HN 0.118 nan 8.230 nan 0.000 0.462 479 M N -0.092 119.544 119.600 0.060 0.000 2.658 479 M HA 0.326 4.805 4.480 -0.002 0.000 0.295 479 M C -1.138 175.192 176.300 0.049 0.000 1.248 479 M CA -0.420 54.922 55.300 0.070 0.000 0.843 479 M CB 2.020 34.708 32.600 0.146 0.000 1.749 479 M HN -0.192 nan 8.290 nan 0.000 0.464 480 K N 1.841 122.261 120.400 0.033 0.000 2.521 480 K HA 0.263 4.582 4.320 -0.002 0.000 0.248 480 K C -0.594 176.018 176.600 0.019 0.000 0.978 480 K CA -0.364 55.940 56.287 0.027 0.000 0.947 480 K CB 1.056 33.570 32.500 0.023 0.000 1.165 480 K HN 0.592 nan 8.250 nan 0.000 0.445 481 K N 4.697 125.114 120.400 0.027 0.000 2.315 481 K HA -0.034 4.284 4.320 -0.002 0.000 0.281 481 K C 0.420 177.027 176.600 0.013 0.000 1.086 481 K CA 0.058 56.351 56.287 0.010 0.000 1.042 481 K CB 0.593 33.112 32.500 0.032 0.000 0.949 481 K HN 0.594 nan 8.250 nan 0.000 0.450 482 E N 3.352 123.539 120.200 -0.022 0.000 2.015 482 E HA -0.094 4.254 4.350 -0.002 0.000 0.191 482 E C 0.404 177.081 176.600 0.129 0.000 0.991 482 E CA 1.300 57.721 56.400 0.035 0.000 0.802 482 E CB -0.151 29.559 29.700 0.015 0.000 0.759 482 E HN 0.598 nan 8.360 nan 0.000 0.447 483 F N -1.708 118.269 119.950 0.044 0.000 2.713 483 F HA 0.493 5.018 4.527 -0.003 0.000 0.311 483 F C -0.901 174.913 175.800 0.023 0.000 1.141 483 F CA -1.278 56.730 58.000 0.014 0.000 0.939 483 F CB 1.320 40.295 39.000 -0.041 0.000 1.325 483 F HN -0.219 nan 8.300 nan 0.000 0.453 484 T N 0.514 115.235 114.554 0.279 0.000 2.824 484 T HA 0.654 5.002 4.350 -0.002 0.000 0.282 484 T C -1.018 173.762 174.700 0.133 0.000 0.993 484 T CA -0.766 61.426 62.100 0.154 0.000 0.967 484 T CB 1.279 70.218 68.868 0.117 0.000 0.960 484 T HN 0.854 nan 8.240 nan 0.000 0.441 485 L N 4.670 125.891 121.223 -0.003 0.000 2.302 485 L HA 0.316 4.655 4.340 -0.002 0.000 0.285 485 L C 1.299 178.215 176.870 0.076 0.000 1.090 485 L CA -0.900 53.765 54.840 -0.292 0.000 0.866 485 L CB 0.091 41.787 42.059 -0.605 0.000 1.244 485 L HN 0.801 nan 8.230 nan 0.000 0.435 486 E N 3.188 123.550 120.200 0.270 0.000 2.458 486 E HA -0.114 4.234 4.350 -0.002 0.000 0.264 486 E C -0.528 176.280 176.600 0.347 0.000 1.097 486 E CA -0.311 56.277 56.400 0.313 0.000 0.973 486 E CB 0.826 30.716 29.700 0.317 0.000 0.963 486 E HN 0.316 nan 8.360 nan 0.000 0.451 487 F N 1.652 121.707 119.950 0.176 0.000 2.553 487 F HA 0.116 4.642 4.527 -0.002 0.000 0.356 487 F C 0.124 176.018 175.800 0.156 0.000 1.142 487 F CA 0.787 58.877 58.000 0.150 0.000 1.322 487 F CB 0.595 39.658 39.000 0.105 0.000 1.126 487 F HN 0.534 nan 8.300 nan 0.000 0.599 488 S N 4.903 120.265 115.700 -0.563 0.000 2.546 488 S HA 0.434 4.903 4.470 -0.002 0.000 0.272 488 S C 0.065 174.318 174.600 -0.579 0.000 1.140 488 S CA -1.115 56.916 58.200 -0.283 0.000 0.920 488 S CB 1.971 65.106 63.200 -0.109 0.000 1.083 488 S HN 0.790 nan 8.310 nan 0.000 0.476 489 R N 0.956 121.365 120.500 -0.152 0.000 2.237 489 R HA -0.058 4.280 4.340 -0.002 0.000 0.219 489 R C 1.359 177.613 176.300 -0.075 0.000 1.080 489 R CA 1.645 57.722 56.100 -0.038 0.000 0.995 489 R CB -0.327 30.056 30.300 0.138 0.000 0.875 489 R HN 0.845 nan 8.270 nan 0.000 0.462 490 D N 1.028 121.370 120.400 -0.096 0.000 2.084 490 D HA -0.236 4.403 4.640 -0.002 0.000 0.196 490 D C 1.626 177.875 176.300 -0.085 0.000 0.985 490 D CA 1.396 55.356 54.000 -0.066 0.000 0.826 490 D CB -0.398 40.364 40.800 -0.064 0.000 0.978 490 D HN 0.363 nan 8.370 nan 0.000 0.456 491 R N -0.181 120.234 120.500 -0.143 0.000 2.300 491 R HA 0.111 4.450 4.340 -0.002 0.000 0.199 491 R C 0.254 176.462 176.300 -0.152 0.000 0.920 491 R CA -0.268 55.763 56.100 -0.116 0.000 1.046 491 R CB -0.093 30.158 30.300 -0.082 0.000 0.984 491 R HN -0.215 nan 8.270 nan 0.000 0.493 492 K N 1.455 121.671 120.400 -0.307 0.000 3.148 492 K HA -0.172 4.146 4.320 -0.002 0.000 0.267 492 K C -0.887 175.670 176.600 -0.072 0.000 0.996 492 K CA 1.323 57.482 56.287 -0.214 0.000 0.737 492 K CB -1.770 30.770 32.500 0.066 0.000 1.308 492 K HN 0.753 nan 8.250 nan 0.000 0.470 493 S N -1.816 113.677 115.700 -0.345 0.000 2.643 493 S HA 0.760 5.229 4.470 -0.002 0.000 0.266 493 S C -0.638 174.008 174.600 0.076 0.000 1.130 493 S CA -0.868 57.375 58.200 0.071 0.000 0.817 493 S CB 2.376 65.620 63.200 0.074 0.000 1.107 493 S HN 0.431 nan 8.310 nan 0.000 0.471 494 M N 0.049 119.774 119.600 0.209 0.000 2.569 494 M HA 0.894 5.373 4.480 -0.002 0.000 0.279 494 M C -1.035 175.346 176.300 0.135 0.000 1.253 494 M CA -0.524 54.893 55.300 0.194 0.000 0.867 494 M CB 2.075 34.845 32.600 0.284 0.000 1.727 494 M HN 1.177 nan 8.290 nan 0.000 0.467 495 S N 0.424 116.181 115.700 0.095 0.000 2.705 495 S HA 0.955 5.423 4.470 -0.002 0.000 0.280 495 S C -0.915 173.706 174.600 0.034 0.000 1.174 495 S CA -0.279 57.961 58.200 0.067 0.000 0.823 495 S CB 1.778 65.005 63.200 0.045 0.000 1.162 495 S HN 1.762 nan 8.310 nan 0.000 0.487 496 V N -1.617 118.290 119.914 -0.011 0.000 2.851 496 V HA 0.658 4.776 4.120 -0.002 0.000 0.307 496 V C -1.648 174.281 176.094 -0.275 0.000 1.129 496 V CA -0.895 61.353 62.300 -0.087 0.000 0.932 496 V CB 1.200 33.025 31.823 0.004 0.000 1.024 496 V HN 1.056 nan 8.190 nan 0.000 0.426 497 Y N 3.664 123.582 120.300 -0.635 0.000 2.434 497 Y HA 0.701 5.249 4.550 -0.003 0.000 0.341 497 Y C 0.140 175.654 175.900 -0.643 0.000 0.965 497 Y CA -0.268 57.343 58.100 -0.815 0.000 1.205 497 Y CB 0.710 38.221 38.460 -1.581 0.000 1.121 497 Y HN 1.000 nan 8.280 nan 0.000 0.507 498 C N 3.094 122.072 119.300 -0.536 0.000 2.470 498 C HA 0.797 5.256 4.460 -0.002 0.000 0.341 498 C C -0.302 174.528 174.990 -0.266 0.000 1.190 498 C CA -0.824 58.023 59.018 -0.285 0.000 1.904 498 C CB 1.130 28.753 27.740 -0.196 0.000 2.354 498 C HN 0.851 nan 8.230 nan 0.000 0.509 499 S N 0.540 116.183 115.700 -0.094 0.000 2.571 499 S HA 0.600 5.069 4.470 -0.002 0.000 0.284 499 S C -3.241 171.345 174.600 -0.025 0.000 1.128 499 S CA -1.158 57.009 58.200 -0.055 0.000 0.970 499 S CB 1.352 64.570 63.200 0.029 0.000 1.039 499 S HN 0.495 nan 8.310 nan 0.000 0.485 500 P HA 0.201 nan 4.420 nan 0.000 0.266 500 P C -0.628 176.673 177.300 0.003 0.000 1.186 500 P CA 0.223 63.321 63.100 -0.004 0.000 0.767 500 P CB 0.278 31.972 31.700 -0.010 0.000 0.820 501 A N 3.486 126.310 122.820 0.006 0.000 2.310 501 A HA 0.544 4.862 4.320 -0.002 0.000 0.299 501 A C 0.160 177.743 177.584 -0.001 0.000 1.147 501 A CA -0.303 51.737 52.037 0.005 0.000 0.818 501 A CB -0.119 18.885 19.000 0.006 0.000 1.096 501 A HN 0.742 nan 8.150 nan 0.000 0.495 502 K N -0.013 120.386 120.400 -0.001 0.000 1.786 502 K HA -0.244 4.074 4.320 -0.002 0.000 0.615 502 K C 0.576 177.172 176.600 -0.006 0.000 1.705 502 K CA 1.187 57.471 56.287 -0.004 0.000 1.113 502 K CB -1.530 30.966 32.500 -0.008 0.000 1.859 502 K HN 1.372 nan 8.250 nan 0.000 0.668 503 S N -0.997 114.698 115.700 -0.008 0.000 2.486 503 S HA -0.071 4.398 4.470 -0.002 0.000 0.220 503 S C 1.994 176.586 174.600 -0.013 0.000 1.011 503 S CA 1.085 59.280 58.200 -0.009 0.000 0.921 503 S CB 0.186 63.381 63.200 -0.008 0.000 0.785 503 S HN 0.696 nan 8.310 nan 0.000 0.517 504 S N 2.019 117.709 115.700 -0.017 0.000 2.408 504 S HA -0.279 4.190 4.470 -0.002 0.000 0.241 504 S C 1.983 176.568 174.600 -0.025 0.000 1.080 504 S CA 2.028 60.214 58.200 -0.023 0.000 1.109 504 S CB -0.306 62.876 63.200 -0.030 0.000 0.966 504 S HN 0.770 nan 8.310 nan 0.000 0.449 505 R N -0.377 120.109 120.500 -0.023 0.000 2.144 505 R HA 0.452 4.790 4.340 -0.002 0.000 0.195 505 R C 1.586 177.877 176.300 -0.014 0.000 1.077 505 R CA 0.598 56.685 56.100 -0.021 0.000 1.120 505 R CB -0.570 29.716 30.300 -0.022 0.000 1.060 505 R HN 0.338 nan 8.270 nan 0.000 0.520 506 A N 1.618 124.431 122.820 -0.012 0.000 2.596 506 A HA -0.245 4.073 4.320 -0.002 0.000 0.309 506 A C 0.514 178.090 177.584 -0.012 0.000 1.501 506 A CA 0.893 52.923 52.037 -0.011 0.000 0.888 506 A CB -1.670 17.324 19.000 -0.010 0.000 0.983 506 A HN 0.476 nan 8.150 nan 0.000 0.432 507 A N -0.032 122.781 122.820 -0.011 0.000 2.475 507 A HA 0.550 4.868 4.320 -0.002 0.000 0.293 507 A C 1.774 179.347 177.584 -0.018 0.000 1.252 507 A CA 0.737 52.767 52.037 -0.011 0.000 0.920 507 A CB -0.807 18.192 19.000 -0.003 0.000 1.125 507 A HN 2.131 nan 8.150 nan 0.000 0.528 508 V N 0.708 120.608 119.914 -0.022 0.000 1.641 508 V HA -0.374 3.744 4.120 -0.002 0.000 0.040 508 V C 1.805 177.871 176.094 -0.047 0.000 0.600 508 V CA 1.590 63.871 62.300 -0.031 0.000 1.558 508 V CB -2.524 29.278 31.823 -0.035 0.000 1.746 508 V HN 2.845 nan 8.190 nan 0.000 0.774 509 G N 0.641 109.411 108.800 -0.049 0.000 2.707 509 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.279 509 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.279 509 G C -0.134 174.681 174.900 -0.142 0.000 1.345 509 G CA 0.437 45.493 45.100 -0.072 0.000 0.912 509 G HN 2.150 nan 8.290 nan 0.000 0.563 510 N N -0.376 118.211 118.700 -0.187 0.000 2.650 510 N HA -0.144 4.595 4.740 -0.002 0.000 0.300 510 N C -0.017 175.174 175.510 -0.533 0.000 1.197 510 N CA 1.746 54.561 53.050 -0.391 0.000 0.746 510 N CB -0.196 38.165 38.487 -0.210 0.000 0.976 510 N HN 0.675 nan 8.380 nan 0.000 0.558 511 K N 1.214 121.217 120.400 -0.661 0.000 2.267 511 K HA 0.492 4.810 4.320 -0.002 0.000 0.246 511 K C 0.351 176.346 176.600 -1.009 0.000 0.954 511 K CA -0.556 55.316 56.287 -0.691 0.000 0.824 511 K CB 2.004 34.151 32.500 -0.588 0.000 1.167 511 K HN 0.403 nan 8.250 nan 0.000 0.431 512 M N 2.756 121.901 119.600 -0.759 0.000 2.125 512 M HA 0.362 4.841 4.480 -0.002 0.000 0.321 512 M C -1.401 174.648 176.300 -0.418 0.000 0.983 512 M CA -0.742 54.186 55.300 -0.620 0.000 0.934 512 M CB 0.554 32.963 32.600 -0.319 0.000 1.542 512 M HN 0.294 nan 8.290 nan 0.000 0.424 513 F N 5.469 125.349 119.950 -0.117 0.000 2.335 513 F HA 0.411 4.937 4.527 -0.003 0.000 0.365 513 F C 0.179 175.954 175.800 -0.043 0.000 1.122 513 F CA -1.110 56.844 58.000 -0.077 0.000 1.151 513 F CB 0.423 39.375 39.000 -0.081 0.000 1.282 513 F HN 0.296 nan 8.300 nan 0.000 0.513 514 V N 2.229 122.238 119.914 0.158 0.000 2.532 514 V HA 0.803 4.922 4.120 -0.002 0.000 0.295 514 V C -0.692 175.452 176.094 0.084 0.000 1.041 514 V CA -0.816 61.548 62.300 0.107 0.000 0.926 514 V CB 1.812 33.688 31.823 0.088 0.000 0.992 514 V HN 0.787 nan 8.190 nan 0.000 0.457 515 K N 3.393 123.850 120.400 0.094 0.000 2.513 515 K HA 0.915 5.233 4.320 -0.002 0.000 0.251 515 K C -0.502 176.180 176.600 0.137 0.000 0.939 515 K CA -0.104 56.233 56.287 0.083 0.000 0.793 515 K CB 2.021 34.556 32.500 0.058 0.000 1.241 515 K HN 1.408 nan 8.250 nan 0.000 0.431 516 G N 1.004 109.884 108.800 0.134 0.000 2.489 516 G HA2 0.556 4.514 3.960 -0.002 0.000 0.305 516 G HA3 0.556 4.514 3.960 -0.002 0.000 0.305 516 G C -1.492 173.502 174.900 0.155 0.000 1.311 516 G CA -0.619 44.596 45.100 0.191 0.000 0.813 516 G HN 0.739 nan 8.290 nan 0.000 0.480 517 A N 0.447 123.371 122.820 0.175 0.000 2.520 517 A HA 0.562 4.881 4.320 -0.002 0.000 0.245 517 A C -0.825 176.820 177.584 0.101 0.000 1.072 517 A CA -0.137 51.979 52.037 0.132 0.000 0.761 517 A CB 0.133 19.216 19.000 0.137 0.000 1.004 517 A HN 0.337 nan 8.150 nan 0.000 0.499 518 P HA -0.248 nan 4.420 nan 0.000 0.215 518 P C 1.456 178.785 177.300 0.047 0.000 1.163 518 P CA 1.753 64.895 63.100 0.070 0.000 0.894 518 P CB 0.151 31.883 31.700 0.053 0.000 0.791 519 E N -0.639 119.584 120.200 0.039 0.000 2.048 519 E HA -0.224 4.125 4.350 -0.002 0.000 0.202 519 E C 2.180 178.795 176.600 0.026 0.000 1.021 519 E CA 1.866 58.280 56.400 0.023 0.000 0.825 519 E CB -1.074 28.641 29.700 0.025 0.000 0.756 519 E HN 0.163 nan 8.360 nan 0.000 0.454 520 G N 0.424 109.247 108.800 0.038 0.000 2.511 520 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.216 520 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.216 520 G C 1.686 176.610 174.900 0.041 0.000 1.218 520 G CA 1.500 46.621 45.100 0.034 0.000 0.788 520 G HN 0.274 nan 8.290 nan 0.000 0.560 521 V N 1.514 121.465 119.914 0.062 0.000 2.282 521 V HA -0.223 3.896 4.120 -0.002 0.000 0.249 521 V C 2.823 178.965 176.094 0.081 0.000 1.057 521 V CA 1.848 64.196 62.300 0.079 0.000 1.032 521 V CB -0.549 31.337 31.823 0.106 0.000 0.645 521 V HN 0.413 nan 8.190 nan 0.000 0.447 522 I N 0.069 120.680 120.570 0.068 0.000 2.454 522 I HA -0.223 3.946 4.170 -0.002 0.000 0.254 522 I C 2.188 178.307 176.117 0.002 0.000 1.156 522 I CA 1.411 62.729 61.300 0.030 0.000 1.433 522 I CB -0.530 37.440 38.000 -0.050 0.000 1.082 522 I HN 0.360 nan 8.210 nan 0.000 0.432 523 D N 0.982 121.385 120.400 0.004 0.000 2.219 523 D HA -0.097 4.542 4.640 -0.002 0.000 0.205 523 D C 1.867 178.163 176.300 -0.007 0.000 0.970 523 D CA 0.969 54.964 54.000 -0.008 0.000 0.851 523 D CB -0.070 40.727 40.800 -0.005 0.000 0.943 523 D HN 0.351 nan 8.370 nan 0.000 0.488 524 R N -0.378 120.128 120.500 0.011 0.000 2.335 524 R HA 0.162 4.501 4.340 -0.002 0.000 0.223 524 R C -0.057 176.247 176.300 0.007 0.000 0.940 524 R CA -0.191 55.916 56.100 0.011 0.000 1.086 524 R CB 0.168 30.486 30.300 0.029 0.000 1.073 524 R HN 0.018 nan 8.270 nan 0.000 0.504 525 C N 0.365 119.666 119.300 0.003 0.000 2.295 525 C HA 0.248 4.706 4.460 -0.002 0.000 0.331 525 C C 0.999 175.929 174.990 -0.101 0.000 1.280 525 C CA -0.698 58.319 59.018 -0.001 0.000 1.746 525 C CB 0.735 28.525 27.740 0.084 0.000 2.328 525 C HN 0.547 nan 8.230 nan 0.000 0.521 526 N N 0.268 118.811 118.700 -0.262 0.000 2.197 526 N HA 0.199 4.937 4.740 -0.002 0.000 0.201 526 N C -0.931 174.174 175.510 -0.674 0.000 1.148 526 N CA 0.229 52.969 53.050 -0.515 0.000 0.883 526 N CB 0.478 38.519 38.487 -0.745 0.000 1.012 526 N HN 0.664 nan 8.380 nan 0.000 0.507 527 Y N -0.407 119.934 120.300 0.068 0.000 2.669 527 Y HA 0.602 5.150 4.550 -0.002 0.000 0.335 527 Y C -0.430 175.540 175.900 0.117 0.000 1.116 527 Y CA -1.786 56.360 58.100 0.076 0.000 1.081 527 Y CB 1.108 39.606 38.460 0.063 0.000 1.297 527 Y HN -0.310 nan 8.280 nan 0.000 0.484 528 V N -0.824 119.273 119.914 0.305 0.000 2.612 528 V HA 0.617 4.736 4.120 -0.002 0.000 0.301 528 V C -0.869 175.351 176.094 0.210 0.000 1.059 528 V CA -1.220 61.246 62.300 0.278 0.000 0.886 528 V CB 1.645 33.620 31.823 0.254 0.000 1.007 528 V HN 0.808 nan 8.190 nan 0.000 0.426 529 R N 3.930 124.531 120.500 0.168 0.000 2.242 529 R HA 0.573 4.911 4.340 -0.002 0.000 0.334 529 R C -0.225 176.144 176.300 0.114 0.000 1.071 529 R CA -0.204 55.959 56.100 0.105 0.000 0.922 529 R CB 1.107 31.436 30.300 0.049 0.000 1.023 529 R HN 1.081 nan 8.270 nan 0.000 0.458 530 V N 3.995 123.976 119.914 0.111 0.000 2.258 530 V HA 0.515 4.633 4.120 -0.002 0.000 0.258 530 V C 1.064 177.219 176.094 0.100 0.000 1.121 530 V CA 0.119 62.490 62.300 0.119 0.000 0.942 530 V CB 0.052 31.943 31.823 0.113 0.000 1.170 530 V HN 1.050 nan 8.190 nan 0.000 0.487 531 G N 4.966 113.831 108.800 0.108 0.000 5.452 531 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.310 531 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.310 531 G C 0.763 175.703 174.900 0.067 0.000 1.392 531 G CA 0.906 46.066 45.100 0.100 0.000 0.942 531 G HN 1.034 nan 8.290 nan 0.000 0.776 532 T N 0.418 115.004 114.554 0.053 0.000 3.046 532 T HA 0.383 4.732 4.350 -0.002 0.000 0.270 532 T C 0.903 175.620 174.700 0.029 0.000 0.920 532 T CA 1.511 63.633 62.100 0.037 0.000 0.874 532 T CB 0.648 69.534 68.868 0.031 0.000 1.214 532 T HN 1.324 nan 8.240 nan 0.000 0.536 533 T N 0.514 115.089 114.554 0.035 0.000 2.897 533 T HA 0.716 5.065 4.350 -0.002 0.000 0.278 533 T C -0.359 174.359 174.700 0.031 0.000 0.981 533 T CA -0.867 61.248 62.100 0.026 0.000 0.973 533 T CB 2.226 71.111 68.868 0.029 0.000 1.092 533 T HN 0.190 nan 8.240 nan 0.000 0.543 534 R N 0.058 120.565 120.500 0.013 0.000 2.744 534 R HA 0.731 5.069 4.340 -0.002 0.000 0.279 534 R C -2.005 174.315 176.300 0.035 0.000 0.977 534 R CA -0.763 55.347 56.100 0.018 0.000 0.906 534 R CB 2.080 32.342 30.300 -0.065 0.000 1.197 534 R HN 0.611 nan 8.270 nan 0.000 0.463 535 V N 3.695 123.672 119.914 0.105 0.000 3.049 535 V HA 0.501 4.620 4.120 -0.002 0.000 0.309 535 V C -2.410 173.826 176.094 0.236 0.000 1.148 535 V CA -1.789 60.590 62.300 0.131 0.000 0.990 535 V CB 2.463 34.352 31.823 0.111 0.000 1.039 535 V HN 0.811 nan 8.190 nan 0.000 0.430 536 P HA 0.152 nan 4.420 nan 0.000 0.276 536 P C -0.416 176.959 177.300 0.125 0.000 1.243 536 P CA -0.309 62.945 63.100 0.257 0.000 0.768 536 P CB 0.807 32.625 31.700 0.197 0.000 0.856 537 M N 4.750 124.395 119.600 0.076 0.000 2.261 537 M HA 0.074 4.553 4.480 -0.002 0.000 0.350 537 M C -0.248 176.052 176.300 0.001 0.000 1.343 537 M CA 1.260 56.574 55.300 0.024 0.000 1.003 537 M CB -0.430 32.153 32.600 -0.028 0.000 1.848 537 M HN 0.491 nan 8.290 nan 0.000 0.456 538 T N 2.026 116.579 114.554 -0.001 0.000 2.906 538 T HA 0.677 5.026 4.350 -0.002 0.000 0.295 538 T C 0.997 175.680 174.700 -0.029 0.000 1.061 538 T CA -0.612 61.481 62.100 -0.012 0.000 1.000 538 T CB 1.397 70.264 68.868 -0.002 0.000 1.103 538 T HN 0.762 nan 8.240 nan 0.000 0.486 539 G N 2.309 111.089 108.800 -0.033 0.000 2.649 539 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.220 539 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.220 539 G C -0.414 174.459 174.900 -0.046 0.000 1.189 539 G CA 1.482 46.558 45.100 -0.041 0.000 0.777 539 G HN 0.732 nan 8.290 nan 0.000 0.602 540 P HA -0.148 nan 4.420 nan 0.000 0.213 540 P C 2.103 179.376 177.300 -0.046 0.000 1.176 540 P CA 2.360 65.431 63.100 -0.048 0.000 0.919 540 P CB -0.668 31.001 31.700 -0.052 0.000 0.791 541 V N 0.718 120.612 119.914 -0.033 0.000 2.453 541 V HA -0.249 3.869 4.120 -0.002 0.000 0.252 541 V C 2.867 178.914 176.094 -0.078 0.000 1.068 541 V CA 2.292 64.571 62.300 -0.035 0.000 1.070 541 V CB -1.508 30.312 31.823 -0.005 0.000 0.664 541 V HN 0.176 nan 8.190 nan 0.000 0.461 542 K N -0.009 120.342 120.400 -0.082 0.000 2.026 542 K HA -0.198 4.120 4.320 -0.002 0.000 0.208 542 K C 2.248 178.785 176.600 -0.105 0.000 1.048 542 K CA 1.539 57.760 56.287 -0.110 0.000 0.929 542 K CB -0.085 32.364 32.500 -0.086 0.000 0.713 542 K HN 0.412 nan 8.250 nan 0.000 0.439 543 E N 1.008 121.159 120.200 -0.081 0.000 2.058 543 E HA -0.214 4.135 4.350 -0.002 0.000 0.194 543 E C 1.881 178.426 176.600 -0.091 0.000 0.997 543 E CA 1.230 57.584 56.400 -0.077 0.000 0.801 543 E CB -0.293 29.370 29.700 -0.062 0.000 0.746 543 E HN 0.150 nan 8.360 nan 0.000 0.450 544 K N 0.912 121.256 120.400 -0.093 0.000 2.152 544 K HA -0.058 4.260 4.320 -0.002 0.000 0.206 544 K C 1.987 178.489 176.600 -0.164 0.000 1.048 544 K CA 0.834 57.051 56.287 -0.116 0.000 0.933 544 K CB -0.321 32.122 32.500 -0.095 0.000 0.721 544 K HN 0.138 nan 8.250 nan 0.000 0.447 545 I N -0.298 120.187 120.570 -0.142 0.000 2.235 545 I HA -0.219 3.949 4.170 -0.002 0.000 0.241 545 I C 1.967 178.023 176.117 -0.101 0.000 1.085 545 I CA 0.814 62.046 61.300 -0.113 0.000 1.378 545 I CB -0.199 37.661 38.000 -0.234 0.000 1.076 545 I HN 0.073 nan 8.210 nan 0.000 0.415 546 L N 0.670 121.826 121.223 -0.112 0.000 2.079 546 L HA -0.223 4.115 4.340 -0.002 0.000 0.210 546 L C 2.885 179.701 176.870 -0.090 0.000 1.081 546 L CA 1.713 56.502 54.840 -0.085 0.000 0.752 546 L CB -0.795 41.221 42.059 -0.072 0.000 0.896 546 L HN 0.392 nan 8.230 nan 0.000 0.433 547 S N -0.094 115.543 115.700 -0.106 0.000 2.351 547 S HA -0.188 4.280 4.470 -0.002 0.000 0.220 547 S C 1.930 176.442 174.600 -0.147 0.000 1.035 547 S CA 1.552 59.690 58.200 -0.104 0.000 1.031 547 S CB -1.057 62.082 63.200 -0.102 0.000 0.928 547 S HN 0.167 nan 8.310 nan 0.000 0.433 548 V N 2.703 122.459 119.914 -0.263 0.000 2.469 548 V HA -0.154 3.965 4.120 -0.002 0.000 0.251 548 V C 2.559 178.330 176.094 -0.538 0.000 1.064 548 V CA 1.639 63.660 62.300 -0.466 0.000 1.066 548 V CB -0.948 30.380 31.823 -0.826 0.000 0.667 548 V HN 0.517 nan 8.190 nan 0.000 0.461 549 I N 0.270 120.667 120.570 -0.289 0.000 2.252 549 I HA -0.212 3.956 4.170 -0.002 0.000 0.245 549 I C 2.446 178.557 176.117 -0.010 0.000 1.102 549 I CA 1.835 63.054 61.300 -0.136 0.000 1.385 549 I CB -1.044 36.934 38.000 -0.036 0.000 1.064 549 I HN 0.362 nan 8.210 nan 0.000 0.414 550 K N 1.497 121.885 120.400 -0.019 0.000 2.097 550 K HA -0.164 4.154 4.320 -0.002 0.000 0.205 550 K C 1.914 178.558 176.600 0.073 0.000 1.050 550 K CA 1.278 57.581 56.287 0.026 0.000 0.938 550 K CB 0.068 32.569 32.500 0.001 0.000 0.718 550 K HN 0.334 nan 8.250 nan 0.000 0.442 551 E N -0.907 119.342 120.200 0.081 0.000 2.204 551 E HA -0.168 4.180 4.350 -0.002 0.000 0.194 551 E C 1.419 178.218 176.600 0.333 0.000 0.989 551 E CA 0.887 57.389 56.400 0.171 0.000 0.824 551 E CB -0.055 29.752 29.700 0.178 0.000 0.756 551 E HN 0.439 nan 8.360 nan 0.000 0.477 552 W N 0.107 121.431 121.300 0.039 0.000 2.576 552 W HA 0.188 4.847 4.660 -0.002 0.000 0.270 552 W C 2.205 178.751 176.519 0.045 0.000 1.255 552 W CA 0.738 58.113 57.345 0.051 0.000 1.314 552 W CB -0.580 28.933 29.460 0.087 0.000 1.101 552 W HN 0.054 nan 8.180 nan 0.000 0.595 553 G N -1.786 107.173 108.800 0.265 0.000 2.796 553 G HA2 0.018 3.977 3.960 -0.002 0.000 0.210 553 G HA3 0.018 3.977 3.960 -0.002 0.000 0.210 553 G C 1.311 176.275 174.900 0.107 0.000 1.146 553 G CA 1.009 46.207 45.100 0.164 0.000 0.779 553 G HN 0.134 nan 8.290 nan 0.000 0.535 554 T N 0.086 114.700 114.554 0.101 0.000 3.026 554 T HA 0.283 4.631 4.350 -0.002 0.000 0.245 554 T C 1.654 176.391 174.700 0.060 0.000 1.004 554 T CA 0.360 62.498 62.100 0.063 0.000 1.069 554 T CB 0.202 69.097 68.868 0.044 0.000 1.005 554 T HN 0.303 nan 8.240 nan 0.000 0.472 555 G N 0.753 109.603 108.800 0.082 0.000 2.750 555 G HA2 0.059 4.018 3.960 -0.002 0.000 0.250 555 G HA3 0.059 4.018 3.960 -0.002 0.000 0.250 555 G C 0.638 175.565 174.900 0.045 0.000 1.230 555 G CA -0.438 44.701 45.100 0.065 0.000 0.883 555 G HN 0.277 nan 8.290 nan 0.000 0.573 556 R N -0.590 119.925 120.500 0.026 0.000 2.417 556 R HA -0.098 4.241 4.340 -0.002 0.000 0.220 556 R C 1.001 177.301 176.300 -0.000 0.000 1.128 556 R CA 1.177 57.283 56.100 0.011 0.000 1.048 556 R CB -0.062 30.238 30.300 0.002 0.000 0.835 556 R HN 0.543 nan 8.270 nan 0.000 0.483 557 D N -0.221 120.180 120.400 0.001 0.000 2.183 557 D HA -0.084 4.555 4.640 -0.002 0.000 0.205 557 D C 0.539 176.839 176.300 0.001 0.000 0.962 557 D CA 1.733 55.717 54.000 -0.026 0.000 0.849 557 D CB 0.017 40.773 40.800 -0.073 0.000 0.978 557 D HN 0.369 nan 8.370 nan 0.000 0.488 558 T N -1.013 113.563 114.554 0.036 0.000 3.882 558 T HA -0.247 4.102 4.350 -0.002 0.000 0.366 558 T C 0.093 174.824 174.700 0.052 0.000 0.760 558 T CA 0.206 62.333 62.100 0.046 0.000 1.931 558 T CB -2.614 66.270 68.868 0.027 0.000 1.807 558 T HN 0.135 nan 8.240 nan 0.000 0.790 559 L N 0.245 121.517 121.223 0.082 0.000 2.334 559 L HA 0.559 4.897 4.340 -0.002 0.000 0.277 559 L C 1.026 177.977 176.870 0.135 0.000 1.075 559 L CA -1.126 53.771 54.840 0.095 0.000 0.804 559 L CB 1.250 43.371 42.059 0.103 0.000 1.174 559 L HN 0.357 nan 8.230 nan 0.000 0.438 560 R N 2.268 122.833 120.500 0.109 0.000 2.234 560 R HA 0.381 4.719 4.340 -0.002 0.000 0.324 560 R C -1.212 175.172 176.300 0.140 0.000 1.054 560 R CA -0.463 55.702 56.100 0.108 0.000 0.912 560 R CB 0.566 30.911 30.300 0.075 0.000 1.030 560 R HN 0.672 nan 8.270 nan 0.000 0.455 561 C N 5.299 124.691 119.300 0.155 0.000 2.365 561 C HA 0.481 4.939 4.460 -0.002 0.000 0.351 561 C C -0.092 174.965 174.990 0.113 0.000 1.240 561 C CA -0.776 58.342 59.018 0.166 0.000 2.062 561 C CB 0.533 28.384 27.740 0.186 0.000 2.387 561 C HN 0.721 nan 8.230 nan 0.000 0.537 562 L N 2.839 124.120 121.223 0.095 0.000 2.342 562 L HA 0.528 4.866 4.340 -0.002 0.000 0.276 562 L C 0.401 177.295 176.870 0.041 0.000 0.997 562 L CA -0.090 54.791 54.840 0.068 0.000 0.838 562 L CB 1.156 43.245 42.059 0.049 0.000 1.224 562 L HN 0.869 nan 8.230 nan 0.000 0.416 563 A N 5.662 128.521 122.820 0.064 0.000 2.401 563 A HA 0.653 4.972 4.320 -0.002 0.000 0.259 563 A C -0.490 177.097 177.584 0.005 0.000 1.103 563 A CA -0.182 51.901 52.037 0.077 0.000 0.789 563 A CB 0.324 19.426 19.000 0.170 0.000 1.035 563 A HN 0.669 nan 8.150 nan 0.000 0.491 564 L N 1.829 122.974 121.223 -0.130 0.000 2.333 564 L HA 0.739 5.077 4.340 -0.002 0.000 0.280 564 L C 0.294 177.028 176.870 -0.226 0.000 1.004 564 L CA -0.325 54.417 54.840 -0.163 0.000 0.820 564 L CB 1.617 43.544 42.059 -0.219 0.000 1.247 564 L HN 0.866 nan 8.230 nan 0.000 0.416 565 A N 1.840 124.613 122.820 -0.079 0.000 2.564 565 A HA 0.931 5.250 4.320 -0.002 0.000 0.288 565 A C -0.621 177.001 177.584 0.062 0.000 1.164 565 A CA -0.456 51.561 52.037 -0.033 0.000 0.712 565 A CB 2.300 21.331 19.000 0.052 0.000 1.303 565 A HN 0.633 nan 8.150 nan 0.000 0.418 566 T N -1.414 113.194 114.554 0.091 0.000 2.909 566 T HA 0.674 5.022 4.350 -0.002 0.000 0.299 566 T C -0.795 173.953 174.700 0.080 0.000 1.073 566 T CA -0.650 61.537 62.100 0.146 0.000 0.999 566 T CB 1.622 70.630 68.868 0.233 0.000 1.098 566 T HN 0.812 nan 8.240 nan 0.000 0.477 567 R N 1.936 122.443 120.500 0.011 0.000 2.239 567 R HA 0.281 4.620 4.340 -0.002 0.000 0.332 567 R C 0.070 176.342 176.300 -0.046 0.000 0.988 567 R CA -0.531 55.575 56.100 0.008 0.000 0.859 567 R CB 0.441 30.734 30.300 -0.012 0.000 1.148 567 R HN 0.708 nan 8.270 nan 0.000 0.482 568 D N 1.431 121.834 120.400 0.005 0.000 2.092 568 D HA -0.130 4.508 4.640 -0.002 0.000 0.193 568 D C 0.600 176.862 176.300 -0.065 0.000 0.994 568 D CA 1.810 55.791 54.000 -0.032 0.000 0.828 568 D CB 0.242 41.032 40.800 -0.017 0.000 0.963 568 D HN 0.594 nan 8.370 nan 0.000 0.450 569 T N 0.165 114.702 114.554 -0.028 0.000 3.254 569 T HA 0.396 4.744 4.350 -0.002 0.000 0.385 569 T C -2.541 172.148 174.700 -0.019 0.000 1.528 569 T CA -1.763 60.318 62.100 -0.032 0.000 1.212 569 T CB 1.801 70.667 68.868 -0.004 0.000 1.145 569 T HN -0.133 nan 8.240 nan 0.000 0.631 570 P HA 0.313 nan 4.420 nan 0.000 0.273 570 P C -2.286 175.042 177.300 0.047 0.000 1.250 570 P CA -1.277 61.807 63.100 -0.026 0.000 0.793 570 P CB -0.097 31.511 31.700 -0.154 0.000 1.011 571 P HA 0.107 nan 4.420 nan 0.000 0.273 571 P C -0.307 177.047 177.300 0.089 0.000 1.250 571 P CA -0.092 63.042 63.100 0.057 0.000 0.793 571 P CB 0.572 32.278 31.700 0.010 0.000 1.011 572 K N 0.886 121.313 120.400 0.046 0.000 2.401 572 K HA 0.019 4.337 4.320 -0.002 0.000 0.278 572 K C 1.656 178.250 176.600 -0.010 0.000 1.018 572 K CA 0.009 56.322 56.287 0.045 0.000 0.981 572 K CB 0.521 33.031 32.500 0.017 0.000 0.933 572 K HN 0.404 nan 8.250 nan 0.000 0.477 573 R N 2.892 123.377 120.500 -0.024 0.000 2.113 573 R HA -0.239 4.100 4.340 -0.002 0.000 0.244 573 R C 1.913 178.110 176.300 -0.171 0.000 1.142 573 R CA 2.335 58.320 56.100 -0.191 0.000 0.953 573 R CB -0.033 30.151 30.300 -0.194 0.000 0.860 573 R HN 0.772 nan 8.270 nan 0.000 0.438 574 E N 0.260 120.400 120.200 -0.100 0.000 2.209 574 E HA -0.207 4.141 4.350 -0.002 0.000 0.196 574 E C 0.740 177.289 176.600 -0.085 0.000 0.993 574 E CA 1.175 57.523 56.400 -0.087 0.000 0.819 574 E CB -0.202 29.468 29.700 -0.049 0.000 0.745 574 E HN 0.474 nan 8.360 nan 0.000 0.477 575 E N 0.376 120.527 120.200 -0.081 0.000 2.494 575 E HA 0.159 4.508 4.350 -0.002 0.000 0.193 575 E C 0.383 176.921 176.600 -0.105 0.000 1.074 575 E CA 0.212 56.576 56.400 -0.060 0.000 0.867 575 E CB -0.133 29.550 29.700 -0.028 0.000 0.924 575 E HN 0.412 nan 8.360 nan 0.000 0.502 576 M N 0.603 120.077 119.600 -0.211 0.000 2.364 576 M HA 0.245 4.724 4.480 -0.002 0.000 0.334 576 M C -0.495 175.729 176.300 -0.126 0.000 1.107 576 M CA -0.704 54.388 55.300 -0.347 0.000 0.988 576 M CB 2.594 34.789 32.600 -0.676 0.000 1.673 576 M HN -0.345 nan 8.290 nan 0.000 0.441 577 V N 5.525 125.526 119.914 0.146 0.000 2.270 577 V HA 0.160 4.278 4.120 -0.002 0.000 0.263 577 V C 0.761 176.977 176.094 0.202 0.000 1.066 577 V CA -0.305 62.065 62.300 0.118 0.000 0.857 577 V CB 0.007 31.907 31.823 0.127 0.000 1.099 577 V HN 0.807 nan 8.190 nan 0.000 0.476 578 L N 3.123 124.358 121.223 0.020 0.000 2.762 578 L HA 0.104 4.442 4.340 -0.002 0.000 0.250 578 L C 0.662 177.647 176.870 0.191 0.000 1.160 578 L CA 0.380 55.255 54.840 0.059 0.000 0.951 578 L CB -0.739 41.114 42.059 -0.343 0.000 1.148 578 L HN 0.788 nan 8.230 nan 0.000 0.424 579 D N -1.837 118.616 120.400 0.089 0.000 2.692 579 D HA 0.064 4.703 4.640 -0.002 0.000 0.290 579 D C -0.366 175.699 176.300 -0.393 0.000 1.455 579 D CA -0.396 53.554 54.000 -0.083 0.000 0.796 579 D CB 0.176 40.989 40.800 0.021 0.000 1.131 579 D HN 0.215 nan 8.370 nan 0.000 0.467 580 D N -0.224 119.876 120.400 -0.499 0.000 2.381 580 D HA 0.072 4.710 4.640 -0.002 0.000 0.245 580 D C 0.633 176.375 176.300 -0.930 0.000 1.297 580 D CA -0.618 53.036 54.000 -0.575 0.000 0.931 580 D CB 0.651 41.279 40.800 -0.287 0.000 1.334 580 D HN -0.071 nan 8.370 nan 0.000 0.535 581 S N 0.477 115.438 115.700 -1.232 0.000 2.547 581 S HA -0.273 4.195 4.470 -0.002 0.000 0.255 581 S C 1.634 175.761 174.600 -0.788 0.000 0.977 581 S CA 1.001 58.327 58.200 -1.458 0.000 0.960 581 S CB -0.581 62.221 63.200 -0.663 0.000 0.746 581 S HN 0.545 nan 8.310 nan 0.000 0.532 582 S N 1.731 117.104 115.700 -0.544 0.000 2.436 582 S HA 0.082 4.551 4.470 -0.002 0.000 0.228 582 S C 1.710 176.132 174.600 -0.295 0.000 1.014 582 S CA 0.060 58.071 58.200 -0.315 0.000 0.950 582 S CB -0.258 62.807 63.200 -0.224 0.000 0.784 582 S HN 0.552 nan 8.310 nan 0.000 0.504 583 R N -0.707 119.563 120.500 -0.384 0.000 2.300 583 R HA 0.340 4.679 4.340 -0.002 0.000 0.199 583 R C 1.064 177.006 176.300 -0.597 0.000 0.920 583 R CA 0.010 55.842 56.100 -0.446 0.000 1.046 583 R CB -0.147 29.883 30.300 -0.450 0.000 0.984 583 R HN 0.315 nan 8.270 nan 0.000 0.493 584 F N 0.924 120.581 119.950 -0.488 0.000 2.171 584 F HA -0.166 4.360 4.527 -0.003 0.000 0.300 584 F C 2.201 177.896 175.800 -0.175 0.000 1.090 584 F CA 0.991 58.818 58.000 -0.288 0.000 1.293 584 F CB -0.589 38.365 39.000 -0.077 0.000 1.013 584 F HN 0.027 nan 8.300 nan 0.000 0.486 585 M N -0.063 119.552 119.600 0.026 0.000 2.213 585 M HA -0.204 4.275 4.480 -0.002 0.000 0.263 585 M C 2.284 178.588 176.300 0.006 0.000 1.062 585 M CA 1.571 56.880 55.300 0.015 0.000 1.105 585 M CB -0.301 32.287 32.600 -0.020 0.000 1.385 585 M HN 0.218 nan 8.290 nan 0.000 0.417 586 E N -0.294 119.864 120.200 -0.070 0.000 2.077 586 E HA -0.224 4.124 4.350 -0.002 0.000 0.193 586 E C 1.549 178.240 176.600 0.151 0.000 0.989 586 E CA 1.401 57.792 56.400 -0.014 0.000 0.800 586 E CB -0.137 29.506 29.700 -0.095 0.000 0.746 586 E HN 0.543 nan 8.360 nan 0.000 0.452 587 Y N 0.947 121.311 120.300 0.106 0.000 2.293 587 Y HA 0.026 4.574 4.550 -0.002 0.000 0.291 587 Y C 1.097 177.042 175.900 0.076 0.000 1.137 587 Y CA 0.668 58.828 58.100 0.101 0.000 1.202 587 Y CB -0.250 38.282 38.460 0.120 0.000 0.990 587 Y HN 0.074 nan 8.280 nan 0.000 0.537 588 E N 0.880 121.211 120.200 0.218 0.000 2.354 588 E HA 0.127 4.476 4.350 -0.002 0.000 0.260 588 E C 0.146 176.805 176.600 0.098 0.000 1.405 588 E CA -0.113 56.368 56.400 0.134 0.000 1.728 588 E CB -0.157 29.608 29.700 0.108 0.000 1.471 588 E HN 0.310 nan 8.360 nan 0.000 0.441 589 T N -3.300 111.315 114.554 0.102 0.000 2.883 589 T HA 0.278 4.627 4.350 -0.002 0.000 0.284 589 T C 0.134 174.873 174.700 0.065 0.000 1.041 589 T CA -0.883 61.259 62.100 0.070 0.000 1.007 589 T CB 1.286 70.191 68.868 0.061 0.000 1.220 589 T HN 0.053 nan 8.240 nan 0.000 0.552 590 D N -0.217 120.202 120.400 0.033 0.000 2.697 590 D HA -0.136 4.502 4.640 -0.002 0.000 0.235 590 D C -0.550 175.793 176.300 0.071 0.000 1.167 590 D CA 0.470 54.481 54.000 0.019 0.000 0.656 590 D CB -1.589 39.251 40.800 0.067 0.000 1.025 590 D HN 0.603 nan 8.370 nan 0.000 0.419 591 L N -0.397 120.859 121.223 0.055 0.000 2.448 591 L HA 0.637 4.975 4.340 -0.002 0.000 0.258 591 L C 1.107 178.069 176.870 0.153 0.000 1.104 591 L CA -0.346 54.558 54.840 0.107 0.000 0.800 591 L CB 1.411 43.525 42.059 0.092 0.000 1.241 591 L HN 0.276 nan 8.230 nan 0.000 0.472 592 T N -1.778 112.890 114.554 0.190 0.000 2.840 592 T HA 0.391 4.740 4.350 -0.002 0.000 0.287 592 T C -0.674 174.136 174.700 0.183 0.000 0.991 592 T CA -0.502 61.740 62.100 0.238 0.000 0.964 592 T CB 0.881 69.900 68.868 0.252 0.000 0.954 592 T HN 0.282 nan 8.240 nan 0.000 0.438 593 F N 4.187 124.179 119.950 0.070 0.000 2.538 593 F HA 0.415 4.941 4.527 -0.003 0.000 0.371 593 F C 1.043 176.858 175.800 0.025 0.000 1.087 593 F CA -0.142 57.876 58.000 0.031 0.000 1.250 593 F CB 1.171 40.184 39.000 0.022 0.000 1.110 593 F HN 0.470 nan 8.300 nan 0.000 0.570 594 V N 5.048 124.468 119.914 -0.825 0.000 3.570 594 V HA 0.633 4.751 4.120 -0.002 0.000 0.257 594 V C 0.483 176.064 176.094 -0.855 0.000 1.272 594 V CA 1.016 62.960 62.300 -0.593 0.000 1.079 594 V CB -0.087 31.546 31.823 -0.318 0.000 0.829 594 V HN 1.156 nan 8.190 nan 0.000 0.454 595 G N -0.434 107.423 108.800 -1.572 0.000 2.339 595 G HA2 0.441 4.400 3.960 -0.002 0.000 0.302 595 G HA3 0.441 4.400 3.960 -0.002 0.000 0.302 595 G C -1.462 173.000 174.900 -0.731 0.000 1.425 595 G CA 0.095 44.594 45.100 -1.002 0.000 0.899 595 G HN 1.201 nan 8.290 nan 0.000 0.619 596 V N -2.406 117.129 119.914 -0.632 0.000 3.001 596 V HA 0.949 5.067 4.120 -0.002 0.000 0.314 596 V C -0.963 175.048 176.094 -0.139 0.000 1.099 596 V CA -1.071 61.015 62.300 -0.357 0.000 0.989 596 V CB 1.831 33.426 31.823 -0.380 0.000 1.040 596 V HN 1.287 nan 8.190 nan 0.000 0.434 597 V N 2.391 122.323 119.914 0.030 0.000 2.577 597 V HA 0.843 4.961 4.120 -0.002 0.000 0.303 597 V C 0.510 176.753 176.094 0.248 0.000 1.042 597 V CA 0.331 62.719 62.300 0.148 0.000 0.872 597 V CB 1.832 33.678 31.823 0.038 0.000 0.998 597 V HN 1.373 nan 8.190 nan 0.000 0.423 598 G N 6.064 115.083 108.800 0.364 0.000 2.437 598 G HA2 0.664 4.623 3.960 -0.002 0.000 0.315 598 G HA3 0.664 4.623 3.960 -0.002 0.000 0.315 598 G C -0.523 174.450 174.900 0.122 0.000 1.210 598 G CA -0.612 44.680 45.100 0.321 0.000 0.943 598 G HN 0.674 nan 8.290 nan 0.000 0.471 599 M N 1.608 121.266 119.600 0.097 0.000 2.706 599 M HA 0.885 5.363 4.480 -0.002 0.000 0.304 599 M C -1.363 174.961 176.300 0.040 0.000 1.217 599 M CA -1.185 54.145 55.300 0.052 0.000 0.922 599 M CB 2.243 34.876 32.600 0.056 0.000 1.637 599 M HN 0.340 nan 8.290 nan 0.000 0.492 600 L N 1.062 122.298 121.223 0.022 0.000 2.436 600 L HA 0.555 4.894 4.340 -0.002 0.000 0.268 600 L C -1.796 175.081 176.870 0.011 0.000 0.974 600 L CA -0.045 54.801 54.840 0.011 0.000 0.826 600 L CB 2.091 44.141 42.059 -0.014 0.000 1.291 600 L HN 0.790 nan 8.230 nan 0.000 0.406 601 D N 6.014 126.421 120.400 0.012 0.000 2.454 601 D HA 0.443 5.081 4.640 -0.002 0.000 0.225 601 D C -2.533 173.763 176.300 -0.007 0.000 1.081 601 D CA -1.926 52.079 54.000 0.008 0.000 0.864 601 D CB 1.277 42.087 40.800 0.017 0.000 1.040 601 D HN 0.288 nan 8.370 nan 0.000 0.517 602 P HA 0.224 nan 4.420 nan 0.000 0.267 602 P C -2.597 174.689 177.300 -0.023 0.000 1.205 602 P CA -1.167 61.919 63.100 -0.024 0.000 0.765 602 P CB 0.343 32.023 31.700 -0.034 0.000 0.828 603 P HA 0.182 nan 4.420 nan 0.000 0.272 603 P C -0.012 177.276 177.300 -0.020 0.000 1.230 603 P CA -0.046 63.036 63.100 -0.031 0.000 0.788 603 P CB 0.623 32.300 31.700 -0.038 0.000 0.949 604 R N 1.366 121.859 120.500 -0.011 0.000 2.531 604 R HA 0.204 4.543 4.340 -0.002 0.000 0.273 604 R C 1.585 177.890 176.300 0.008 0.000 1.070 604 R CA -0.396 55.707 56.100 0.004 0.000 1.112 604 R CB 0.387 30.702 30.300 0.025 0.000 1.049 604 R HN 0.413 nan 8.270 nan 0.000 0.508 605 K N 1.734 122.139 120.400 0.008 0.000 1.987 605 K HA -0.250 4.069 4.320 -0.002 0.000 0.216 605 K C 1.463 178.076 176.600 0.022 0.000 1.051 605 K CA 2.131 58.423 56.287 0.010 0.000 0.942 605 K CB -0.089 32.416 32.500 0.008 0.000 0.722 605 K HN 0.500 nan 8.250 nan 0.000 0.444 606 E N 0.986 121.206 120.200 0.034 0.000 2.396 606 E HA -0.115 4.233 4.350 -0.002 0.000 0.200 606 E C 1.814 178.465 176.600 0.086 0.000 1.023 606 E CA 0.576 57.007 56.400 0.051 0.000 0.857 606 E CB -0.382 29.348 29.700 0.050 0.000 0.775 606 E HN 0.064 nan 8.360 nan 0.000 0.525 607 V N 0.780 120.745 119.914 0.085 0.000 2.358 607 V HA -0.269 3.849 4.120 -0.002 0.000 0.246 607 V C 2.053 178.182 176.094 0.059 0.000 1.047 607 V CA 1.572 63.935 62.300 0.105 0.000 1.035 607 V CB -0.412 31.416 31.823 0.009 0.000 0.658 607 V HN 0.330 nan 8.190 nan 0.000 0.452 608 M N 0.482 120.094 119.600 0.021 0.000 2.073 608 M HA -0.141 4.337 4.480 -0.002 0.000 0.258 608 M C 2.377 178.695 176.300 0.030 0.000 1.070 608 M CA 2.400 57.704 55.300 0.007 0.000 1.103 608 M CB -1.957 30.644 32.600 0.002 0.000 1.321 608 M HN 0.431 nan 8.290 nan 0.000 0.405 609 G N -0.296 108.529 108.800 0.042 0.000 2.402 609 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.216 609 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.216 609 G C 1.706 176.648 174.900 0.069 0.000 1.162 609 G CA 1.143 46.269 45.100 0.044 0.000 0.777 609 G HN 0.502 nan 8.290 nan 0.000 0.539 610 S N 0.737 116.506 115.700 0.114 0.000 2.383 610 S HA -0.095 4.373 4.470 -0.002 0.000 0.229 610 S C 2.257 176.994 174.600 0.229 0.000 1.030 610 S CA 0.909 59.212 58.200 0.172 0.000 1.002 610 S CB -0.151 63.218 63.200 0.283 0.000 0.829 610 S HN 0.275 nan 8.310 nan 0.000 0.467 611 I N 1.578 122.268 120.570 0.200 0.000 2.286 611 I HA -0.144 4.025 4.170 -0.002 0.000 0.248 611 I C 2.640 178.801 176.117 0.074 0.000 1.115 611 I CA 1.300 62.677 61.300 0.128 0.000 1.392 611 I CB -1.359 36.636 38.000 -0.008 0.000 1.065 611 I HN 0.301 nan 8.210 nan 0.000 0.418 612 Q N 1.467 121.298 119.800 0.052 0.000 2.050 612 Q HA -0.143 4.195 4.340 -0.002 0.000 0.202 612 Q C 2.288 178.308 176.000 0.035 0.000 0.980 612 Q CA 1.624 57.447 55.803 0.032 0.000 0.840 612 Q CB -0.520 28.233 28.738 0.025 0.000 0.898 612 Q HN 0.473 nan 8.270 nan 0.000 0.424 613 L N -0.627 120.621 121.223 0.041 0.000 2.051 613 L HA -0.320 4.018 4.340 -0.002 0.000 0.214 613 L C 2.521 179.407 176.870 0.028 0.000 1.076 613 L CA 1.479 56.336 54.840 0.029 0.000 0.758 613 L CB -0.659 41.414 42.059 0.022 0.000 0.890 613 L HN 0.384 nan 8.230 nan 0.000 0.433 614 C N -0.699 118.629 119.300 0.046 0.000 2.422 614 C HA -0.133 4.325 4.460 -0.002 0.000 0.279 614 C C 2.854 177.861 174.990 0.029 0.000 1.305 614 C CA 0.479 59.523 59.018 0.043 0.000 1.757 614 C CB -1.121 26.669 27.740 0.084 0.000 1.962 614 C HN 0.439 nan 8.230 nan 0.000 0.499 615 R N 1.081 121.597 120.500 0.026 0.000 2.073 615 R HA -0.107 4.231 4.340 -0.002 0.000 0.234 615 R C 1.719 178.026 176.300 0.013 0.000 1.134 615 R CA 1.655 57.764 56.100 0.016 0.000 0.952 615 R CB -0.412 29.896 30.300 0.013 0.000 0.850 615 R HN 0.548 nan 8.270 nan 0.000 0.433 616 D N 0.494 120.903 120.400 0.014 0.000 2.219 616 D HA -0.098 4.540 4.640 -0.002 0.000 0.205 616 D C 1.366 177.672 176.300 0.009 0.000 0.970 616 D CA 1.226 55.233 54.000 0.011 0.000 0.851 616 D CB -0.039 40.767 40.800 0.011 0.000 0.943 616 D HN 0.268 nan 8.370 nan 0.000 0.488 617 A N -0.169 122.657 122.820 0.010 0.000 2.275 617 A HA 0.435 4.754 4.320 -0.002 0.000 0.212 617 A C 1.765 179.353 177.584 0.006 0.000 1.201 617 A CA 0.826 52.867 52.037 0.007 0.000 0.843 617 A CB -0.183 18.819 19.000 0.003 0.000 0.873 617 A HN 0.210 nan 8.150 nan 0.000 0.492 618 G N -0.536 108.269 108.800 0.008 0.000 2.153 618 G HA2 -0.247 3.711 3.960 -0.002 0.000 0.252 618 G HA3 -0.247 3.711 3.960 -0.002 0.000 0.252 618 G C 0.070 174.975 174.900 0.008 0.000 0.994 618 G CA 0.494 45.599 45.100 0.007 0.000 0.698 618 G HN 0.519 nan 8.290 nan 0.000 0.521 619 I N 0.472 121.049 120.570 0.012 0.000 2.315 619 I HA 0.345 4.514 4.170 -0.002 0.000 0.291 619 I C 0.897 177.030 176.117 0.026 0.000 1.006 619 I CA -0.849 60.461 61.300 0.018 0.000 1.265 619 I CB 1.212 39.222 38.000 0.018 0.000 1.387 619 I HN 0.164 nan 8.210 nan 0.000 0.475 620 R N 5.549 126.064 120.500 0.024 0.000 2.390 620 R HA 0.485 4.823 4.340 -0.002 0.000 0.291 620 R C -1.306 175.016 176.300 0.037 0.000 1.070 620 R CA -0.332 55.780 56.100 0.020 0.000 1.014 620 R CB 1.024 31.332 30.300 0.015 0.000 1.007 620 R HN 0.465 nan 8.270 nan 0.000 0.466 621 V N 7.195 127.120 119.914 0.018 0.000 2.357 621 V HA 0.342 4.461 4.120 -0.002 0.000 0.284 621 V C -0.032 176.045 176.094 -0.028 0.000 1.018 621 V CA -0.572 61.748 62.300 0.033 0.000 0.841 621 V CB 1.398 33.242 31.823 0.034 0.000 0.991 621 V HN 0.697 nan 8.190 nan 0.000 0.437 622 I N 5.807 126.390 120.570 0.021 0.000 2.339 622 I HA 0.434 4.603 4.170 -0.002 0.000 0.290 622 I C 0.083 176.213 176.117 0.023 0.000 0.994 622 I CA -0.290 61.028 61.300 0.030 0.000 1.191 622 I CB 1.588 39.663 38.000 0.125 0.000 1.343 622 I HN 0.585 nan 8.210 nan 0.000 0.458 623 M N 7.800 127.385 119.600 -0.025 0.000 2.180 623 M HA 0.495 4.974 4.480 -0.002 0.000 0.358 623 M C -1.332 175.005 176.300 0.062 0.000 1.233 623 M CA 0.017 55.301 55.300 -0.027 0.000 1.114 623 M CB 0.887 33.433 32.600 -0.089 0.000 1.594 623 M HN 0.494 nan 8.290 nan 0.000 0.467 624 I N 4.538 125.139 120.570 0.052 0.000 2.382 624 I HA 0.343 4.511 4.170 -0.002 0.000 0.285 624 I C -0.259 175.885 176.117 0.045 0.000 1.007 624 I CA -0.321 61.024 61.300 0.075 0.000 1.142 624 I CB 1.906 39.932 38.000 0.043 0.000 1.289 624 I HN 0.706 nan 8.210 nan 0.000 0.453 625 T N 2.777 117.365 114.554 0.057 0.000 2.887 625 T HA 0.550 4.899 4.350 -0.002 0.000 0.292 625 T C 0.838 175.567 174.700 0.048 0.000 1.087 625 T CA -0.138 61.986 62.100 0.040 0.000 1.009 625 T CB 1.845 70.732 68.868 0.031 0.000 1.203 625 T HN 0.653 nan 8.240 nan 0.000 0.518 626 G N 0.607 109.430 108.800 0.039 0.000 2.510 626 G HA2 0.148 4.107 3.960 -0.002 0.000 0.212 626 G HA3 0.148 4.107 3.960 -0.002 0.000 0.212 626 G C 0.119 175.049 174.900 0.050 0.000 1.151 626 G CA -0.066 45.060 45.100 0.045 0.000 0.817 626 G HN 0.692 nan 8.290 nan 0.000 0.534 627 D N 1.643 122.070 120.400 0.044 0.000 2.601 627 D HA 0.017 4.655 4.640 -0.002 0.000 0.229 627 D C 0.945 177.277 176.300 0.054 0.000 1.140 627 D CA 0.174 54.203 54.000 0.048 0.000 0.862 627 D CB 0.451 41.277 40.800 0.043 0.000 1.192 627 D HN 0.460 nan 8.370 nan 0.000 0.480 628 N N 1.276 120.010 118.700 0.058 0.000 2.202 628 N HA -0.104 4.634 4.740 -0.002 0.000 0.218 628 N C 0.815 176.352 175.510 0.047 0.000 1.328 628 N CA -0.113 52.971 53.050 0.057 0.000 0.884 628 N CB 0.732 39.253 38.487 0.057 0.000 1.106 628 N HN 0.394 nan 8.380 nan 0.000 0.439 629 K N -0.297 120.125 120.400 0.038 0.000 1.992 629 K HA -0.155 4.164 4.320 -0.002 0.000 0.227 629 K C 2.030 178.639 176.600 0.014 0.000 1.016 629 K CA 1.756 58.055 56.287 0.020 0.000 1.059 629 K CB -1.237 31.264 32.500 0.001 0.000 0.752 629 K HN 0.667 nan 8.250 nan 0.000 0.449 630 G N -0.065 108.736 108.800 0.001 0.000 2.888 630 G HA2 -0.404 3.554 3.960 -0.002 0.000 0.231 630 G HA3 -0.404 3.554 3.960 -0.002 0.000 0.231 630 G C 1.487 176.398 174.900 0.019 0.000 1.113 630 G CA 2.315 47.415 45.100 -0.000 0.000 0.745 630 G HN 0.548 nan 8.290 nan 0.000 0.647 631 T N 1.180 115.755 114.554 0.035 0.000 2.857 631 T HA 0.209 4.558 4.350 -0.002 0.000 0.266 631 T C 2.821 177.549 174.700 0.046 0.000 1.048 631 T CA 1.584 63.712 62.100 0.046 0.000 1.139 631 T CB -0.395 68.506 68.868 0.055 0.000 0.874 631 T HN 0.543 nan 8.240 nan 0.000 0.455 632 A N 1.655 124.502 122.820 0.046 0.000 1.873 632 A HA -0.102 4.217 4.320 -0.002 0.000 0.218 632 A C 2.252 179.884 177.584 0.080 0.000 1.193 632 A CA 1.459 53.527 52.037 0.052 0.000 0.629 632 A CB -0.924 18.107 19.000 0.052 0.000 0.826 632 A HN 0.518 nan 8.150 nan 0.000 0.447 633 I N -0.271 120.353 120.570 0.089 0.000 2.151 633 I HA -0.356 3.812 4.170 -0.002 0.000 0.243 633 I C 3.031 179.233 176.117 0.143 0.000 1.080 633 I CA 1.222 62.611 61.300 0.149 0.000 1.339 633 I CB -0.577 37.425 38.000 0.002 0.000 1.039 633 I HN 0.399 nan 8.210 nan 0.000 0.409 634 A N 1.418 124.282 122.820 0.073 0.000 1.884 634 A HA -0.239 4.080 4.320 -0.002 0.000 0.219 634 A C 2.243 179.861 177.584 0.057 0.000 1.197 634 A CA 1.885 53.957 52.037 0.059 0.000 0.637 634 A CB -0.832 18.196 19.000 0.046 0.000 0.827 634 A HN 0.383 nan 8.150 nan 0.000 0.450 635 I N -0.371 120.227 120.570 0.046 0.000 2.264 635 I HA -0.271 3.897 4.170 -0.002 0.000 0.248 635 I C 2.588 178.703 176.117 -0.003 0.000 1.111 635 I CA 1.167 62.475 61.300 0.015 0.000 1.382 635 I CB -1.698 36.304 38.000 0.003 0.000 1.060 635 I HN 0.395 nan 8.210 nan 0.000 0.418 636 C N 0.684 120.003 119.300 0.032 0.000 2.440 636 C HA -0.092 4.367 4.460 -0.002 0.000 0.278 636 C C 2.962 177.950 174.990 -0.005 0.000 1.295 636 C CA 0.478 59.467 59.018 -0.048 0.000 1.738 636 C CB -0.896 26.793 27.740 -0.085 0.000 1.987 636 C HN 0.452 nan 8.230 nan 0.000 0.492 637 R N 0.496 121.067 120.500 0.119 0.000 2.062 637 R HA -0.093 4.245 4.340 -0.002 0.000 0.229 637 R C 2.394 178.713 176.300 0.032 0.000 1.128 637 R CA 1.057 57.219 56.100 0.104 0.000 0.960 637 R CB -0.473 29.892 30.300 0.109 0.000 0.855 637 R HN 0.502 nan 8.270 nan 0.000 0.432 638 R N 1.845 122.356 120.500 0.018 0.000 2.127 638 R HA -0.123 4.215 4.340 -0.002 0.000 0.238 638 R C 2.077 178.362 176.300 -0.024 0.000 1.134 638 R CA 1.627 57.725 56.100 -0.003 0.000 0.975 638 R CB -0.187 30.110 30.300 -0.006 0.000 0.865 638 R HN 0.421 nan 8.270 nan 0.000 0.447 639 I N -4.741 115.800 120.570 -0.049 0.000 3.968 639 I HA 0.417 4.585 4.170 -0.002 0.000 0.328 639 I C 0.856 176.926 176.117 -0.079 0.000 1.290 639 I CA 0.535 61.789 61.300 -0.077 0.000 1.163 639 I CB 0.928 38.850 38.000 -0.130 0.000 1.024 639 I HN 0.240 nan 8.210 nan 0.000 0.413 640 G N 1.822 110.583 108.800 -0.064 0.000 2.159 640 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.227 640 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.227 640 G C 0.634 175.468 174.900 -0.110 0.000 0.986 640 G CA 0.248 45.314 45.100 -0.057 0.000 0.651 640 G HN 0.290 nan 8.290 nan 0.000 0.523 641 I N -0.486 119.955 120.570 -0.215 0.000 2.353 641 I HA 0.192 4.361 4.170 -0.002 0.000 0.248 641 I C 1.023 176.877 176.117 -0.439 0.000 1.119 641 I CA 1.260 62.312 61.300 -0.414 0.000 1.417 641 I CB -0.711 36.877 38.000 -0.686 0.000 1.078 641 I HN 0.128 nan 8.210 nan 0.000 0.421 642 F N -0.007 119.920 119.950 -0.039 0.000 2.579 642 F HA 0.632 5.157 4.527 -0.002 0.000 0.324 642 F C 0.904 176.686 175.800 -0.030 0.000 1.058 642 F CA -1.473 56.505 58.000 -0.036 0.000 0.944 642 F CB 0.962 39.936 39.000 -0.044 0.000 1.245 642 F HN -0.214 nan 8.300 nan 0.000 0.477 643 G N 0.490 109.407 108.800 0.194 0.000 2.395 643 G HA2 0.274 4.232 3.960 -0.002 0.000 0.283 643 G HA3 0.274 4.232 3.960 -0.002 0.000 0.283 643 G C 0.515 175.456 174.900 0.069 0.000 1.178 643 G CA -0.392 44.763 45.100 0.091 0.000 0.837 643 G HN 0.794 nan 8.290 nan 0.000 0.518 644 E N 1.378 121.605 120.200 0.044 0.000 2.197 644 E HA -0.216 4.132 4.350 -0.002 0.000 0.205 644 E C 1.071 177.675 176.600 0.007 0.000 1.029 644 E CA 1.465 57.880 56.400 0.026 0.000 0.828 644 E CB 0.136 29.845 29.700 0.015 0.000 0.737 644 E HN 0.505 nan 8.360 nan 0.000 0.464 645 N N 0.401 119.102 118.700 0.001 0.000 2.171 645 N HA 0.005 4.743 4.740 -0.002 0.000 0.212 645 N C -0.084 175.409 175.510 -0.029 0.000 1.184 645 N CA 0.009 53.049 53.050 -0.017 0.000 0.888 645 N CB 0.618 39.097 38.487 -0.013 0.000 1.038 645 N HN 0.213 nan 8.380 nan 0.000 0.517 646 E N 1.772 121.962 120.200 -0.017 0.000 2.413 646 E HA -0.053 4.295 4.350 -0.002 0.000 0.263 646 E C -0.224 176.315 176.600 -0.102 0.000 1.015 646 E CA -0.190 56.194 56.400 -0.028 0.000 0.916 646 E CB 0.777 30.496 29.700 0.032 0.000 0.947 646 E HN -0.051 nan 8.360 nan 0.000 0.440 647 E N 2.484 122.622 120.200 -0.105 0.000 2.398 647 E HA 0.066 4.414 4.350 -0.002 0.000 0.263 647 E C -0.390 176.051 176.600 -0.266 0.000 1.046 647 E CA 0.055 56.361 56.400 -0.156 0.000 0.908 647 E CB 1.371 31.007 29.700 -0.108 0.000 0.963 647 E HN 0.316 nan 8.360 nan 0.000 0.431 648 V N 3.399 123.101 119.914 -0.354 0.000 3.392 648 V HA 0.166 4.285 4.120 -0.002 0.000 0.294 648 V C 1.528 177.389 176.094 -0.387 0.000 1.561 648 V CA 0.428 62.399 62.300 -0.549 0.000 1.056 648 V CB -0.018 31.206 31.823 -0.999 0.000 0.882 648 V HN 0.752 nan 8.190 nan 0.000 0.440 649 A N 1.104 123.759 122.820 -0.275 0.000 1.906 649 A HA -0.337 3.982 4.320 -0.002 0.000 0.222 649 A C 1.645 179.056 177.584 -0.289 0.000 1.282 649 A CA 2.930 54.823 52.037 -0.240 0.000 0.675 649 A CB -0.481 18.423 19.000 -0.160 0.000 0.838 649 A HN 0.550 nan 8.150 nan 0.000 0.469 650 D N -1.828 118.445 120.400 -0.211 0.000 2.349 650 D HA 0.124 4.763 4.640 -0.002 0.000 0.214 650 D C 1.471 177.716 176.300 -0.091 0.000 1.063 650 D CA 0.260 54.165 54.000 -0.159 0.000 0.847 650 D CB 0.006 40.801 40.800 -0.008 0.000 0.933 650 D HN 0.513 nan 8.370 nan 0.000 0.513 651 R N 0.114 120.526 120.500 -0.145 0.000 2.393 651 R HA 0.409 4.747 4.340 -0.002 0.000 0.244 651 R C 0.131 176.427 176.300 -0.006 0.000 0.920 651 R CA -0.029 56.078 56.100 0.012 0.000 1.076 651 R CB 1.087 31.458 30.300 0.119 0.000 1.119 651 R HN -0.076 nan 8.270 nan 0.000 0.524 652 A N 0.432 123.081 122.820 -0.285 0.000 2.381 652 A HA 0.646 4.965 4.320 -0.002 0.000 0.299 652 A C -1.561 175.701 177.584 -0.536 0.000 1.049 652 A CA -0.521 51.349 52.037 -0.278 0.000 0.715 652 A CB 0.835 19.725 19.000 -0.184 0.000 1.222 652 A HN 0.145 nan 8.150 nan 0.000 0.428 653 Y N -0.070 120.042 120.300 -0.314 0.000 2.545 653 Y HA 0.668 5.216 4.550 -0.002 0.000 0.348 653 Y C 0.718 176.609 175.900 -0.015 0.000 1.002 653 Y CA -0.457 57.564 58.100 -0.132 0.000 1.039 653 Y CB 2.626 41.063 38.460 -0.038 0.000 1.271 653 Y HN 0.598 nan 8.280 nan 0.000 0.467 654 T N 0.413 115.109 114.554 0.237 0.000 2.929 654 T HA 0.327 4.675 4.350 -0.002 0.000 0.284 654 T C 1.236 176.053 174.700 0.195 0.000 1.014 654 T CA 0.164 62.368 62.100 0.173 0.000 1.051 654 T CB 1.149 70.088 68.868 0.118 0.000 1.028 654 T HN 0.934 nan 8.240 nan 0.000 0.485 655 G N 2.535 111.383 108.800 0.081 0.000 2.503 655 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.221 655 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.221 655 G C 1.599 176.602 174.900 0.170 0.000 1.131 655 G CA 1.193 46.261 45.100 -0.053 0.000 0.756 655 G HN 0.590 nan 8.290 nan 0.000 0.572 656 R N 0.992 121.600 120.500 0.180 0.000 2.075 656 R HA -0.018 4.321 4.340 -0.002 0.000 0.230 656 R C 2.562 178.986 176.300 0.206 0.000 1.140 656 R CA 2.016 58.226 56.100 0.183 0.000 0.928 656 R CB -0.987 29.392 30.300 0.133 0.000 0.834 656 R HN 0.524 nan 8.270 nan 0.000 0.429 657 E N -0.544 119.786 120.200 0.217 0.000 2.086 657 E HA -0.276 4.072 4.350 -0.002 0.000 0.205 657 E C 1.936 178.709 176.600 0.288 0.000 1.027 657 E CA 1.753 58.302 56.400 0.249 0.000 0.830 657 E CB -0.517 29.371 29.700 0.312 0.000 0.751 657 E HN 0.324 nan 8.360 nan 0.000 0.456 658 F N 2.335 122.395 119.950 0.185 0.000 2.095 658 F HA -0.219 4.307 4.527 -0.003 0.000 0.298 658 F C 1.883 177.752 175.800 0.114 0.000 1.104 658 F CA 1.827 59.891 58.000 0.107 0.000 1.232 658 F CB -0.084 38.985 39.000 0.114 0.000 0.987 658 F HN -0.107 nan 8.300 nan 0.000 0.475 659 D N 0.075 120.639 120.400 0.273 0.000 2.178 659 D HA -0.166 4.472 4.640 -0.002 0.000 0.201 659 D C 1.717 178.042 176.300 0.042 0.000 0.980 659 D CA 1.351 55.451 54.000 0.166 0.000 0.842 659 D CB -0.515 40.438 40.800 0.256 0.000 0.948 659 D HN 0.339 nan 8.370 nan 0.000 0.472 660 D N 0.085 120.524 120.400 0.065 0.000 2.351 660 D HA -0.017 4.622 4.640 -0.002 0.000 0.216 660 D C 0.779 177.071 176.300 -0.013 0.000 0.968 660 D CA 0.288 54.310 54.000 0.037 0.000 0.899 660 D CB 0.180 41.019 40.800 0.066 0.000 0.907 660 D HN 0.257 nan 8.370 nan 0.000 0.514 661 L N 0.435 121.608 121.223 -0.083 0.000 2.416 661 L HA 0.361 4.700 4.340 -0.002 0.000 0.262 661 L C -2.161 174.618 176.870 -0.152 0.000 1.093 661 L CA -1.909 52.851 54.840 -0.134 0.000 0.801 661 L CB 0.798 42.714 42.059 -0.237 0.000 1.191 661 L HN -0.300 nan 8.230 nan 0.000 0.459 662 P HA 0.256 nan 4.420 nan 0.000 0.286 662 P C 0.660 177.890 177.300 -0.118 0.000 1.261 662 P CA -0.660 62.385 63.100 -0.090 0.000 0.821 662 P CB 0.955 32.622 31.700 -0.056 0.000 1.013 663 L N 1.074 122.259 121.223 -0.064 0.000 2.123 663 L HA -0.365 3.973 4.340 -0.002 0.000 0.217 663 L C 2.257 179.075 176.870 -0.088 0.000 1.081 663 L CA 2.235 57.062 54.840 -0.023 0.000 0.772 663 L CB -1.113 40.971 42.059 0.041 0.000 0.890 663 L HN 0.477 nan 8.230 nan 0.000 0.437 664 A N 0.373 123.148 122.820 -0.075 0.000 1.842 664 A HA -0.264 4.054 4.320 -0.002 0.000 0.217 664 A C 2.105 179.616 177.584 -0.122 0.000 1.206 664 A CA 2.239 54.232 52.037 -0.075 0.000 0.630 664 A CB -0.614 18.359 19.000 -0.046 0.000 0.839 664 A HN 0.443 nan 8.150 nan 0.000 0.447 665 E N -0.295 119.826 120.200 -0.132 0.000 2.274 665 E HA -0.082 4.267 4.350 -0.002 0.000 0.194 665 E C 2.141 178.578 176.600 -0.272 0.000 0.996 665 E CA 0.833 57.145 56.400 -0.147 0.000 0.840 665 E CB -0.167 29.476 29.700 -0.095 0.000 0.772 665 E HN 0.717 nan 8.360 nan 0.000 0.491 666 Q N 0.262 119.818 119.800 -0.407 0.000 2.096 666 Q HA -0.182 4.156 4.340 -0.002 0.000 0.204 666 Q C 2.263 177.827 176.000 -0.726 0.000 0.982 666 Q CA 1.418 56.817 55.803 -0.673 0.000 0.850 666 Q CB -0.111 28.204 28.738 -0.705 0.000 0.901 666 Q HN 0.162 nan 8.270 nan 0.000 0.422 667 R N 0.488 120.449 120.500 -0.898 0.000 2.115 667 R HA -0.179 4.160 4.340 -0.002 0.000 0.230 667 R C 1.999 178.208 176.300 -0.152 0.000 1.111 667 R CA 1.492 57.086 56.100 -0.843 0.000 0.976 667 R CB 0.047 30.090 30.300 -0.429 0.000 0.870 667 R HN 0.070 nan 8.270 nan 0.000 0.445 668 E N 0.746 120.885 120.200 -0.103 0.000 2.072 668 E HA -0.077 4.272 4.350 -0.002 0.000 0.191 668 E C 1.696 178.293 176.600 -0.006 0.000 0.985 668 E CA 1.660 58.066 56.400 0.010 0.000 0.801 668 E CB -0.267 29.432 29.700 -0.002 0.000 0.750 668 E HN 0.399 nan 8.360 nan 0.000 0.452 669 A N 0.137 122.920 122.820 -0.061 0.000 1.908 669 A HA -0.238 4.081 4.320 -0.002 0.000 0.218 669 A C 2.578 180.207 177.584 0.075 0.000 1.181 669 A CA 1.681 53.682 52.037 -0.059 0.000 0.627 669 A CB -1.173 17.570 19.000 -0.429 0.000 0.818 669 A HN 0.505 nan 8.150 nan 0.000 0.445 670 C N -0.353 119.030 119.300 0.139 0.000 2.419 670 C HA -0.072 4.386 4.460 -0.002 0.000 0.281 670 C C 2.746 177.788 174.990 0.087 0.000 1.336 670 C CA 1.087 60.239 59.018 0.223 0.000 1.770 670 C CB -1.423 26.511 27.740 0.323 0.000 1.929 670 C HN 0.788 nan 8.230 nan 0.000 0.509 671 R N 1.631 122.086 120.500 -0.075 0.000 2.240 671 R HA 0.000 4.339 4.340 -0.002 0.000 0.203 671 R C 1.911 178.137 176.300 -0.123 0.000 1.011 671 R CA 1.070 57.000 56.100 -0.284 0.000 1.007 671 R CB -0.346 29.536 30.300 -0.697 0.000 0.911 671 R HN 0.662 nan 8.270 nan 0.000 0.468 672 R N 0.021 120.508 120.500 -0.022 0.000 2.394 672 R HA 0.401 4.740 4.340 -0.002 0.000 0.220 672 R C 0.361 176.708 176.300 0.078 0.000 0.887 672 R CA 0.186 56.300 56.100 0.024 0.000 1.034 672 R CB 0.313 30.635 30.300 0.037 0.000 1.179 672 R HN 0.070 nan 8.270 nan 0.000 0.561 673 A N 0.657 123.538 122.820 0.102 0.000 2.406 673 A HA 0.330 4.648 4.320 -0.002 0.000 0.243 673 A C 0.419 178.033 177.584 0.050 0.000 1.082 673 A CA -0.088 51.997 52.037 0.080 0.000 0.786 673 A CB 0.487 19.475 19.000 -0.021 0.000 1.029 673 A HN 0.519 nan 8.150 nan 0.000 0.495 674 C N -0.635 118.677 119.300 0.020 0.000 4.095 674 C HA 0.346 4.804 4.460 -0.002 0.000 0.327 674 C C 0.061 174.980 174.990 -0.119 0.000 1.811 674 C CA -0.228 58.754 59.018 -0.061 0.000 1.785 674 C CB -1.002 26.628 27.740 -0.184 0.000 3.120 674 C HN 0.888 nan 8.230 nan 0.000 0.621 675 C N 1.599 120.847 119.300 -0.086 0.000 2.620 675 C HA 0.684 5.142 4.460 -0.002 0.000 0.356 675 C C -1.504 173.367 174.990 -0.197 0.000 1.082 675 C CA -0.418 58.566 59.018 -0.057 0.000 1.293 675 C CB -0.711 27.103 27.740 0.122 0.000 1.836 675 C HN 0.451 nan 8.230 nan 0.000 0.453 676 F N 4.746 124.712 119.950 0.026 0.000 2.402 676 F HA 0.663 5.189 4.527 -0.003 0.000 0.355 676 F C 0.653 176.444 175.800 -0.015 0.000 1.123 676 F CA -0.089 57.905 58.000 -0.009 0.000 1.021 676 F CB 1.599 40.543 39.000 -0.094 0.000 1.160 676 F HN 0.795 nan 8.300 nan 0.000 0.451 677 A N 3.361 126.276 122.820 0.158 0.000 2.340 677 A HA 0.789 5.107 4.320 -0.002 0.000 0.331 677 A C 0.126 177.767 177.584 0.094 0.000 1.140 677 A CA -0.798 51.300 52.037 0.102 0.000 0.801 677 A CB 0.794 19.836 19.000 0.070 0.000 1.234 677 A HN 0.750 nan 8.150 nan 0.000 0.469 678 R N -0.120 120.427 120.500 0.078 0.000 3.264 678 R HA -0.141 4.198 4.340 -0.002 0.000 0.251 678 R C 0.105 176.447 176.300 0.071 0.000 0.971 678 R CA 0.766 56.913 56.100 0.078 0.000 0.658 678 R CB -3.059 27.292 30.300 0.086 0.000 1.095 678 R HN 0.562 nan 8.270 nan 0.000 0.443 679 V N 0.012 119.958 119.914 0.054 0.000 3.815 679 V HA 0.376 4.494 4.120 -0.002 0.000 0.269 679 V C 0.991 177.199 176.094 0.190 0.000 0.928 679 V CA -0.188 62.127 62.300 0.026 0.000 0.912 679 V CB 0.924 32.732 31.823 -0.025 0.000 1.227 679 V HN 0.352 nan 8.190 nan 0.000 0.404 680 E N -1.050 119.354 120.200 0.341 0.000 2.388 680 E HA 0.239 4.587 4.350 -0.002 0.000 0.282 680 E C -2.450 174.183 176.600 0.054 0.000 1.026 680 E CA -1.288 55.229 56.400 0.195 0.000 0.820 680 E CB 2.190 31.999 29.700 0.182 0.000 1.226 680 E HN 0.192 nan 8.360 nan 0.000 0.432 681 P HA -0.251 nan 4.420 nan 0.000 0.218 681 P C 1.420 178.656 177.300 -0.107 0.000 1.154 681 P CA 2.562 65.619 63.100 -0.072 0.000 0.872 681 P CB 0.169 31.814 31.700 -0.091 0.000 0.790 682 S N -1.552 114.042 115.700 -0.176 0.000 2.370 682 S HA -0.274 4.195 4.470 -0.002 0.000 0.226 682 S C 1.770 176.253 174.600 -0.196 0.000 1.033 682 S CA 1.568 59.639 58.200 -0.215 0.000 1.011 682 S CB -1.650 61.371 63.200 -0.297 0.000 0.852 682 S HN 0.295 nan 8.310 nan 0.000 0.457 683 H N 1.431 120.451 119.070 -0.083 0.000 2.321 683 H HA 0.088 4.642 4.556 -0.003 0.000 0.300 683 H C 2.401 177.588 175.328 -0.235 0.000 1.087 683 H CA 1.727 57.673 56.048 -0.169 0.000 1.319 683 H CB -0.115 29.486 29.762 -0.267 0.000 1.379 683 H HN 0.378 nan 8.280 nan 0.000 0.501 684 K N 0.299 120.655 120.400 -0.073 0.000 2.089 684 K HA -0.158 4.160 4.320 -0.002 0.000 0.210 684 K C 2.414 178.954 176.600 -0.099 0.000 1.048 684 K CA 1.655 57.875 56.287 -0.111 0.000 0.926 684 K CB -0.111 32.343 32.500 -0.077 0.000 0.714 684 K HN 0.143 nan 8.250 nan 0.000 0.448 685 S N 0.738 116.384 115.700 -0.089 0.000 2.387 685 S HA -0.070 4.399 4.470 -0.002 0.000 0.226 685 S C 1.685 176.215 174.600 -0.117 0.000 1.026 685 S CA 1.079 59.224 58.200 -0.091 0.000 0.972 685 S CB 0.030 63.177 63.200 -0.087 0.000 0.814 685 S HN 0.271 nan 8.310 nan 0.000 0.477 686 K N 1.038 121.369 120.400 -0.114 0.000 2.026 686 K HA 0.035 4.353 4.320 -0.002 0.000 0.208 686 K C 1.897 178.394 176.600 -0.172 0.000 1.048 686 K CA 1.182 57.369 56.287 -0.167 0.000 0.929 686 K CB -0.325 32.194 32.500 0.032 0.000 0.713 686 K HN 0.329 nan 8.250 nan 0.000 0.439 687 I N 0.895 121.413 120.570 -0.085 0.000 2.361 687 I HA -0.251 3.917 4.170 -0.002 0.000 0.251 687 I C 2.143 178.274 176.117 0.024 0.000 1.133 687 I CA 0.924 62.206 61.300 -0.030 0.000 1.413 687 I CB -0.257 37.566 38.000 -0.294 0.000 1.073 687 I HN -0.039 nan 8.210 nan 0.000 0.424 688 V N 0.622 120.511 119.914 -0.041 0.000 2.323 688 V HA -0.239 3.880 4.120 -0.002 0.000 0.244 688 V C 2.340 178.431 176.094 -0.005 0.000 1.041 688 V CA 1.725 64.019 62.300 -0.011 0.000 1.025 688 V CB -0.562 31.242 31.823 -0.032 0.000 0.656 688 V HN 0.387 nan 8.190 nan 0.000 0.451 689 E N -0.713 119.432 120.200 -0.093 0.000 2.070 689 E HA -0.263 4.085 4.350 -0.002 0.000 0.197 689 E C 2.206 178.786 176.600 -0.034 0.000 1.004 689 E CA 2.124 58.447 56.400 -0.128 0.000 0.805 689 E CB -0.261 29.273 29.700 -0.276 0.000 0.744 689 E HN 0.671 nan 8.360 nan 0.000 0.451 690 Y N 0.527 120.876 120.300 0.081 0.000 2.097 690 Y HA -0.194 4.354 4.550 -0.003 0.000 0.282 690 Y C 2.233 178.267 175.900 0.224 0.000 1.152 690 Y CA 0.910 59.090 58.100 0.134 0.000 1.136 690 Y CB -0.725 37.864 38.460 0.215 0.000 0.975 690 Y HN 0.052 nan 8.280 nan 0.000 0.498 691 L N -0.290 121.155 121.223 0.369 0.000 2.189 691 L HA -0.300 4.039 4.340 -0.002 0.000 0.214 691 L C 2.232 179.254 176.870 0.254 0.000 1.097 691 L CA 1.512 56.539 54.840 0.312 0.000 0.764 691 L CB -0.576 41.591 42.059 0.180 0.000 0.900 691 L HN 0.378 nan 8.230 nan 0.000 0.436 692 Q N -0.716 119.178 119.800 0.156 0.000 2.245 692 Q HA -0.103 4.235 4.340 -0.002 0.000 0.201 692 Q C 2.258 178.291 176.000 0.055 0.000 0.955 692 Q CA 1.385 57.239 55.803 0.085 0.000 0.870 692 Q CB 0.028 28.785 28.738 0.032 0.000 0.945 692 Q HN 0.566 nan 8.270 nan 0.000 0.461 693 S N -0.637 115.077 115.700 0.023 0.000 2.603 693 S HA -0.089 4.380 4.470 -0.002 0.000 0.229 693 S C 0.625 175.053 174.600 -0.287 0.000 0.972 693 S CA 0.470 58.586 58.200 -0.141 0.000 0.935 693 S CB -0.075 63.005 63.200 -0.198 0.000 0.769 693 S HN 0.350 nan 8.310 nan 0.000 0.536 694 Y N 1.465 121.804 120.300 0.065 0.000 2.706 694 Y HA 0.304 4.853 4.550 -0.003 0.000 0.255 694 Y C -0.028 175.893 175.900 0.036 0.000 1.163 694 Y CA -1.275 56.856 58.100 0.050 0.000 1.174 694 Y CB -0.093 38.402 38.460 0.058 0.000 1.200 694 Y HN 0.132 nan 8.280 nan 0.000 0.544 695 D N 1.026 121.501 120.400 0.125 0.000 2.702 695 D HA -0.249 4.390 4.640 -0.002 0.000 0.233 695 D C -0.265 176.086 176.300 0.085 0.000 1.164 695 D CA 0.967 55.014 54.000 0.079 0.000 0.638 695 D CB -0.700 40.134 40.800 0.057 0.000 1.041 695 D HN 0.551 nan 8.370 nan 0.000 0.422 696 E N -0.096 120.170 120.200 0.110 0.000 2.197 696 E HA 0.287 4.635 4.350 -0.002 0.000 0.281 696 E C 0.615 177.247 176.600 0.053 0.000 0.995 696 E CA -0.828 55.621 56.400 0.083 0.000 0.808 696 E CB 1.186 30.949 29.700 0.105 0.000 1.093 696 E HN 0.046 nan 8.360 nan 0.000 0.394 697 I N 3.476 124.063 120.570 0.028 0.000 2.329 697 I HA 0.044 4.212 4.170 -0.002 0.000 0.295 697 I C 0.614 176.741 176.117 0.015 0.000 1.109 697 I CA 0.260 61.566 61.300 0.011 0.000 1.297 697 I CB -0.255 37.738 38.000 -0.011 0.000 1.433 697 I HN 0.374 nan 8.210 nan 0.000 0.509 698 T N 5.118 119.685 114.554 0.022 0.000 2.859 698 T HA 0.779 5.127 4.350 -0.002 0.000 0.281 698 T C -0.305 174.403 174.700 0.013 0.000 1.005 698 T CA -0.493 61.622 62.100 0.025 0.000 1.025 698 T CB 1.479 70.372 68.868 0.041 0.000 0.977 698 T HN 0.670 nan 8.240 nan 0.000 0.458 699 A N 4.383 127.212 122.820 0.015 0.000 2.337 699 A HA 0.829 5.148 4.320 -0.002 0.000 0.329 699 A C -0.561 177.035 177.584 0.019 0.000 1.146 699 A CA -0.902 51.140 52.037 0.008 0.000 0.800 699 A CB 1.275 20.274 19.000 -0.001 0.000 1.220 699 A HN 0.876 nan 8.150 nan 0.000 0.472 700 M N 2.161 121.768 119.600 0.012 0.000 2.393 700 M HA 0.557 5.036 4.480 -0.002 0.000 0.299 700 M C 0.024 176.332 176.300 0.014 0.000 1.103 700 M CA -0.092 55.216 55.300 0.013 0.000 0.910 700 M CB 2.102 34.701 32.600 -0.003 0.000 1.659 700 M HN 0.837 nan 8.290 nan 0.000 0.445 701 T N 1.172 115.741 114.554 0.024 0.000 2.934 701 T HA 1.002 5.350 4.350 -0.002 0.000 0.283 701 T C 0.077 174.784 174.700 0.010 0.000 1.005 701 T CA -0.101 62.014 62.100 0.025 0.000 1.041 701 T CB 1.450 70.347 68.868 0.048 0.000 1.042 701 T HN 1.114 nan 8.240 nan 0.000 0.505 702 G N 0.245 109.049 108.800 0.008 0.000 2.441 702 G HA2 0.524 4.482 3.960 -0.002 0.000 0.294 702 G HA3 0.524 4.482 3.960 -0.002 0.000 0.294 702 G C -1.011 173.890 174.900 0.001 0.000 1.393 702 G CA -0.111 44.987 45.100 -0.002 0.000 0.796 702 G HN 0.835 nan 8.290 nan 0.000 0.494 703 D N -2.074 118.323 120.400 -0.005 0.000 2.184 703 D HA 0.164 4.802 4.640 -0.002 0.000 0.508 703 D C 0.908 177.204 176.300 -0.007 0.000 0.947 703 D CA 0.868 54.868 54.000 0.000 0.000 1.032 703 D CB -0.200 40.604 40.800 0.007 0.000 1.460 703 D HN 0.980 nan 8.370 nan 0.000 0.467 704 G N 0.595 109.380 108.800 -0.024 0.000 2.491 704 G HA2 0.419 4.378 3.960 -0.002 0.000 0.327 704 G HA3 0.419 4.378 3.960 -0.002 0.000 0.327 704 G C 0.736 175.597 174.900 -0.066 0.000 1.189 704 G CA -0.073 44.999 45.100 -0.046 0.000 0.956 704 G HN 0.096 nan 8.290 nan 0.000 0.491 705 V N 0.731 120.578 119.914 -0.112 0.000 2.759 705 V HA -0.134 3.985 4.120 -0.002 0.000 0.256 705 V C 2.271 178.294 176.094 -0.118 0.000 1.080 705 V CA 2.312 64.533 62.300 -0.131 0.000 1.101 705 V CB -0.764 30.907 31.823 -0.253 0.000 0.698 705 V HN 0.785 nan 8.190 nan 0.000 0.477 706 N N -0.597 118.030 118.700 -0.122 0.000 2.457 706 N HA -0.094 4.645 4.740 -0.002 0.000 0.180 706 N C 1.153 176.612 175.510 -0.085 0.000 1.050 706 N CA 1.443 54.424 53.050 -0.116 0.000 0.906 706 N CB -0.481 37.929 38.487 -0.129 0.000 0.968 706 N HN 0.474 nan 8.380 nan 0.000 0.445 707 D N 0.237 120.597 120.400 -0.067 0.000 2.346 707 D HA 0.197 4.836 4.640 -0.002 0.000 0.206 707 D C 1.766 178.040 176.300 -0.043 0.000 1.001 707 D CA 0.557 54.527 54.000 -0.050 0.000 0.871 707 D CB 0.015 40.794 40.800 -0.035 0.000 0.943 707 D HN 0.337 nan 8.370 nan 0.000 0.518 708 A N 2.026 124.819 122.820 -0.044 0.000 1.917 708 A HA -0.149 4.170 4.320 -0.002 0.000 0.219 708 A C -0.241 177.322 177.584 -0.035 0.000 1.182 708 A CA 1.392 53.409 52.037 -0.033 0.000 0.633 708 A CB -1.449 17.533 19.000 -0.030 0.000 0.819 708 A HN 0.180 nan 8.150 nan 0.000 0.448 709 P HA -0.149 nan 4.420 nan 0.000 0.215 709 P C 1.788 179.062 177.300 -0.043 0.000 1.157 709 P CA 2.088 65.162 63.100 -0.044 0.000 0.868 709 P CB -0.118 31.550 31.700 -0.054 0.000 0.788 710 A N -0.687 122.105 122.820 -0.047 0.000 1.898 710 A HA -0.129 4.190 4.320 -0.002 0.000 0.216 710 A C 2.225 179.789 177.584 -0.033 0.000 1.181 710 A CA 1.234 53.244 52.037 -0.045 0.000 0.620 710 A CB -1.643 17.326 19.000 -0.050 0.000 0.819 710 A HN 0.078 nan 8.150 nan 0.000 0.442 711 L N -0.815 120.391 121.223 -0.028 0.000 2.129 711 L HA -0.213 4.125 4.340 -0.002 0.000 0.212 711 L C 2.563 179.422 176.870 -0.018 0.000 1.087 711 L CA 1.978 56.806 54.840 -0.020 0.000 0.757 711 L CB -0.351 41.699 42.059 -0.016 0.000 0.896 711 L HN 0.436 nan 8.230 nan 0.000 0.434 712 K N 0.169 120.556 120.400 -0.021 0.000 2.400 712 K HA -0.127 4.192 4.320 -0.002 0.000 0.194 712 K C 2.049 178.637 176.600 -0.021 0.000 1.033 712 K CA 0.479 56.754 56.287 -0.019 0.000 1.021 712 K CB 0.286 32.775 32.500 -0.019 0.000 0.808 712 K HN 0.093 nan 8.250 nan 0.000 0.505 713 K N 0.031 120.415 120.400 -0.026 0.000 2.284 713 K HA 0.162 4.481 4.320 -0.002 0.000 0.198 713 K C 0.379 176.965 176.600 -0.022 0.000 1.048 713 K CA 0.206 56.477 56.287 -0.028 0.000 0.987 713 K CB 0.240 32.717 32.500 -0.038 0.000 0.800 713 K HN 0.109 nan 8.250 nan 0.000 0.486 714 A N 1.153 123.961 122.820 -0.019 0.000 2.346 714 A HA 0.045 4.363 4.320 -0.002 0.000 0.255 714 A C 0.601 178.179 177.584 -0.010 0.000 1.113 714 A CA -0.059 51.972 52.037 -0.011 0.000 0.798 714 A CB 0.257 19.252 19.000 -0.009 0.000 1.073 714 A HN 0.323 nan 8.150 nan 0.000 0.502 715 E N -1.000 119.197 120.200 -0.006 0.000 2.158 715 E HA 0.092 4.441 4.350 -0.002 0.000 0.191 715 E C -0.551 176.042 176.600 -0.012 0.000 0.982 715 E CA 1.021 57.416 56.400 -0.009 0.000 0.823 715 E CB -0.068 29.627 29.700 -0.008 0.000 0.766 715 E HN 0.517 nan 8.360 nan 0.000 0.468 716 I N -0.290 120.274 120.570 -0.010 0.000 2.497 716 I HA 0.345 4.514 4.170 -0.002 0.000 0.284 716 I C -0.011 176.100 176.117 -0.010 0.000 1.060 716 I CA -0.617 60.676 61.300 -0.012 0.000 1.071 716 I CB 2.197 40.187 38.000 -0.016 0.000 1.216 716 I HN -0.147 nan 8.210 nan 0.000 0.442 717 G N 6.873 115.667 108.800 -0.010 0.000 2.325 717 G HA2 0.699 4.657 3.960 -0.002 0.000 0.298 717 G HA3 0.699 4.657 3.960 -0.002 0.000 0.298 717 G C -0.437 174.459 174.900 -0.007 0.000 1.134 717 G CA -0.324 44.771 45.100 -0.008 0.000 0.876 717 G HN 0.514 nan 8.290 nan 0.000 0.452 718 I N 2.276 122.845 120.570 -0.003 0.000 2.355 718 I HA 0.453 4.622 4.170 -0.002 0.000 0.288 718 I C 0.533 176.652 176.117 0.004 0.000 0.999 718 I CA -0.606 60.693 61.300 -0.002 0.000 1.163 718 I CB 1.769 39.769 38.000 -0.001 0.000 1.316 718 I HN 0.514 nan 8.210 nan 0.000 0.454 719 A N 7.704 130.525 122.820 0.003 0.000 2.312 719 A HA 0.800 5.118 4.320 -0.002 0.000 0.328 719 A C -0.144 177.446 177.584 0.010 0.000 1.158 719 A CA -0.721 51.320 52.037 0.006 0.000 0.821 719 A CB 0.994 19.997 19.000 0.005 0.000 1.170 719 A HN 0.590 nan 8.150 nan 0.000 0.490 720 M N 2.192 121.800 119.600 0.014 0.000 2.185 720 M HA 0.175 4.653 4.480 -0.002 0.000 0.357 720 M C 1.583 177.892 176.300 0.015 0.000 1.260 720 M CA -0.052 55.258 55.300 0.017 0.000 1.124 720 M CB 0.411 33.023 32.600 0.020 0.000 1.600 720 M HN 0.935 nan 8.290 nan 0.000 0.467 721 G N 1.805 110.614 108.800 0.014 0.000 2.469 721 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.220 721 G HA3 -0.206 3.752 3.960 -0.002 0.000 0.220 721 G C 1.315 176.223 174.900 0.014 0.000 1.136 721 G CA 1.286 46.393 45.100 0.012 0.000 0.759 721 G HN 0.761 nan 8.290 nan 0.000 0.562 722 S N 0.215 115.926 115.700 0.017 0.000 2.603 722 S HA 0.358 4.827 4.470 -0.002 0.000 0.220 722 S C 1.379 175.991 174.600 0.021 0.000 0.967 722 S CA 0.287 58.499 58.200 0.019 0.000 0.920 722 S CB 0.046 63.258 63.200 0.021 0.000 0.773 722 S HN 0.501 nan 8.310 nan 0.000 0.529 723 G N 1.840 110.652 108.800 0.021 0.000 2.621 723 G HA2 0.426 4.385 3.960 -0.002 0.000 0.271 723 G HA3 0.426 4.385 3.960 -0.002 0.000 0.271 723 G C 0.210 175.129 174.900 0.031 0.000 1.236 723 G CA -0.079 45.035 45.100 0.023 0.000 0.958 723 G HN 0.475 nan 8.290 nan 0.000 0.512 724 T N -2.961 111.616 114.554 0.039 0.000 2.748 724 T HA 0.380 4.728 4.350 -0.002 0.000 0.304 724 T C 1.588 176.325 174.700 0.060 0.000 1.041 724 T CA 0.499 62.640 62.100 0.068 0.000 1.033 724 T CB 1.168 70.092 68.868 0.093 0.000 0.995 724 T HN 0.925 nan 8.240 nan 0.000 0.536 725 A N 0.913 123.779 122.820 0.076 0.000 2.067 725 A HA 0.190 4.509 4.320 -0.002 0.000 0.217 725 A C 2.350 179.969 177.584 0.058 0.000 1.156 725 A CA 0.769 52.835 52.037 0.049 0.000 0.683 725 A CB -0.795 18.220 19.000 0.026 0.000 0.808 725 A HN 0.704 nan 8.150 nan 0.000 0.455 726 V N -0.101 119.875 119.914 0.104 0.000 2.307 726 V HA -0.227 3.891 4.120 -0.002 0.000 0.245 726 V C 3.064 179.184 176.094 0.042 0.000 1.045 726 V CA 1.851 64.207 62.300 0.092 0.000 1.024 726 V CB -1.048 30.860 31.823 0.141 0.000 0.651 726 V HN 0.589 nan 8.190 nan 0.000 0.449 727 A N -0.129 122.710 122.820 0.032 0.000 1.883 727 A HA -0.277 4.041 4.320 -0.002 0.000 0.217 727 A C 2.267 179.857 177.584 0.011 0.000 1.186 727 A CA 2.199 54.243 52.037 0.011 0.000 0.624 727 A CB -0.474 18.531 19.000 0.008 0.000 0.822 727 A HN 0.559 nan 8.150 nan 0.000 0.444 728 K N -0.663 119.746 120.400 0.016 0.000 2.026 728 K HA -0.133 4.186 4.320 -0.002 0.000 0.208 728 K C 2.135 178.738 176.600 0.004 0.000 1.048 728 K CA 1.864 58.157 56.287 0.009 0.000 0.929 728 K CB -0.588 31.918 32.500 0.010 0.000 0.713 728 K HN 0.719 nan 8.250 nan 0.000 0.439 729 T N -1.370 113.188 114.554 0.007 0.000 3.098 729 T HA 0.025 4.374 4.350 -0.002 0.000 0.266 729 T C 1.591 176.291 174.700 -0.001 0.000 1.145 729 T CA 0.918 63.019 62.100 0.001 0.000 1.092 729 T CB 0.026 68.896 68.868 0.003 0.000 0.908 729 T HN 0.173 nan 8.240 nan 0.000 0.526 730 A N 1.017 123.838 122.820 0.000 0.000 2.390 730 A HA 0.539 4.858 4.320 -0.002 0.000 0.232 730 A C 1.271 178.850 177.584 -0.007 0.000 1.233 730 A CA -0.024 52.010 52.037 -0.004 0.000 0.907 730 A CB 0.125 19.122 19.000 -0.005 0.000 0.967 730 A HN 0.626 nan 8.150 nan 0.000 0.512 731 S N -1.060 114.636 115.700 -0.006 0.000 2.638 731 S HA 0.562 5.031 4.470 -0.002 0.000 0.298 731 S C 0.115 174.710 174.600 -0.008 0.000 1.111 731 S CA -0.425 57.771 58.200 -0.007 0.000 1.027 731 S CB 1.523 64.720 63.200 -0.005 0.000 1.064 731 S HN 0.067 nan 8.310 nan 0.000 0.525 732 E N 0.197 120.391 120.200 -0.009 0.000 2.318 732 E HA 0.297 4.646 4.350 -0.002 0.000 0.193 732 E C 0.238 176.833 176.600 -0.009 0.000 0.998 732 E CA 0.449 56.843 56.400 -0.009 0.000 0.859 732 E CB 0.159 29.853 29.700 -0.011 0.000 0.812 732 E HN 0.716 nan 8.360 nan 0.000 0.492 733 M N 0.017 119.611 119.600 -0.009 0.000 2.484 733 M HA 0.429 4.908 4.480 -0.002 0.000 0.289 733 M C -1.778 174.517 176.300 -0.008 0.000 1.206 733 M CA -0.821 54.472 55.300 -0.010 0.000 0.892 733 M CB 1.940 34.531 32.600 -0.016 0.000 1.712 733 M HN -0.287 nan 8.290 nan 0.000 0.462 734 V N 4.753 124.663 119.914 -0.007 0.000 2.540 734 V HA 0.443 4.562 4.120 -0.002 0.000 0.302 734 V C -0.484 175.608 176.094 -0.004 0.000 1.035 734 V CA -0.728 61.571 62.300 -0.003 0.000 0.873 734 V CB 1.892 33.715 31.823 -0.000 0.000 0.992 734 V HN 0.797 nan 8.190 nan 0.000 0.428 735 L N 4.179 125.402 121.223 -0.000 0.000 2.302 735 L HA 0.348 4.686 4.340 -0.002 0.000 0.285 735 L C 1.674 178.546 176.870 0.005 0.000 1.090 735 L CA -0.249 54.590 54.840 -0.000 0.000 0.866 735 L CB 0.817 42.880 42.059 0.006 0.000 1.244 735 L HN 0.879 nan 8.230 nan 0.000 0.435 736 A N 2.868 125.689 122.820 0.002 0.000 1.958 736 A HA -0.227 4.092 4.320 -0.002 0.000 0.221 736 A C 1.527 179.116 177.584 0.008 0.000 1.178 736 A CA 2.157 54.197 52.037 0.005 0.000 0.642 736 A CB -0.306 18.695 19.000 0.002 0.000 0.816 736 A HN 0.865 nan 8.150 nan 0.000 0.453 737 D N -2.402 118.004 120.400 0.009 0.000 2.402 737 D HA 0.124 4.763 4.640 -0.002 0.000 0.216 737 D C -0.298 176.015 176.300 0.022 0.000 1.128 737 D CA 0.409 54.418 54.000 0.014 0.000 0.833 737 D CB -0.322 40.486 40.800 0.013 0.000 0.971 737 D HN 0.314 nan 8.370 nan 0.000 0.503 738 D N -0.098 120.316 120.400 0.023 0.000 3.059 738 D HA -0.217 4.421 4.640 -0.002 0.000 0.222 738 D C -0.200 176.131 176.300 0.052 0.000 1.185 738 D CA 0.736 54.757 54.000 0.034 0.000 0.904 738 D CB -1.459 39.360 40.800 0.033 0.000 1.122 738 D HN 0.387 nan 8.370 nan 0.000 0.410 739 N N -0.084 118.646 118.700 0.049 0.000 2.444 739 N HA 0.100 4.838 4.740 -0.002 0.000 0.271 739 N C 0.766 176.340 175.510 0.106 0.000 1.069 739 N CA -0.268 52.829 53.050 0.078 0.000 0.965 739 N CB 0.471 38.991 38.487 0.055 0.000 1.092 739 N HN -0.009 nan 8.380 nan 0.000 0.476 740 F N 3.835 123.782 119.950 -0.005 0.000 2.126 740 F HA -0.246 4.279 4.527 -0.002 0.000 0.299 740 F C 2.341 178.137 175.800 -0.007 0.000 1.096 740 F CA 2.101 60.096 58.000 -0.007 0.000 1.255 740 F CB -0.308 38.686 39.000 -0.010 0.000 0.997 740 F HN 0.626 nan 8.300 nan 0.000 0.479 741 S N -1.016 114.738 115.700 0.090 0.000 2.400 741 S HA -0.241 4.227 4.470 -0.002 0.000 0.232 741 S C 1.913 176.419 174.600 -0.157 0.000 1.025 741 S CA 1.703 59.867 58.200 -0.060 0.000 0.993 741 S CB -1.459 61.780 63.200 0.065 0.000 0.808 741 S HN 0.498 nan 8.310 nan 0.000 0.478 742 T N 2.857 117.351 114.554 -0.099 0.000 2.759 742 T HA 0.017 4.366 4.350 -0.002 0.000 0.269 742 T C 1.652 176.265 174.700 -0.145 0.000 1.042 742 T CA 1.607 63.654 62.100 -0.089 0.000 1.140 742 T CB -0.547 68.293 68.868 -0.046 0.000 0.864 742 T HN 0.463 nan 8.240 nan 0.000 0.455 743 I N 0.728 121.155 120.570 -0.238 0.000 2.113 743 I HA -0.179 3.989 4.170 -0.002 0.000 0.238 743 I C 2.494 178.444 176.117 -0.278 0.000 1.070 743 I CA 1.089 62.228 61.300 -0.268 0.000 1.332 743 I CB -0.712 37.062 38.000 -0.378 0.000 1.044 743 I HN 0.074 nan 8.210 nan 0.000 0.402 744 V N 1.367 121.034 119.914 -0.413 0.000 2.324 744 V HA -0.359 3.760 4.120 -0.002 0.000 0.250 744 V C 2.765 178.771 176.094 -0.147 0.000 1.060 744 V CA 2.126 64.262 62.300 -0.273 0.000 1.042 744 V CB -1.295 30.366 31.823 -0.269 0.000 0.650 744 V HN 0.550 nan 8.190 nan 0.000 0.450 745 A N -0.103 122.641 122.820 -0.127 0.000 1.940 745 A HA -0.149 4.169 4.320 -0.002 0.000 0.219 745 A C 2.397 179.945 177.584 -0.060 0.000 1.176 745 A CA 2.297 54.292 52.037 -0.071 0.000 0.631 745 A CB -0.697 18.270 19.000 -0.055 0.000 0.814 745 A HN 0.621 nan 8.150 nan 0.000 0.446 746 A N -0.819 121.956 122.820 -0.076 0.000 1.897 746 A HA 0.094 4.413 4.320 -0.002 0.000 0.215 746 A C 2.184 179.739 177.584 -0.048 0.000 1.181 746 A CA 1.479 53.484 52.037 -0.054 0.000 0.620 746 A CB -0.787 18.178 19.000 -0.059 0.000 0.821 746 A HN 0.364 nan 8.150 nan 0.000 0.443 747 V N 0.133 120.007 119.914 -0.067 0.000 2.407 747 V HA -0.268 3.851 4.120 -0.002 0.000 0.248 747 V C 2.473 178.547 176.094 -0.033 0.000 1.055 747 V CA 2.294 64.562 62.300 -0.053 0.000 1.049 747 V CB -0.649 31.134 31.823 -0.068 0.000 0.662 747 V HN 0.720 nan 8.190 nan 0.000 0.455 748 E N -0.166 120.014 120.200 -0.034 0.000 2.017 748 E HA -0.244 4.104 4.350 -0.002 0.000 0.193 748 E C 2.360 178.960 176.600 0.000 0.000 0.997 748 E CA 1.301 57.692 56.400 -0.015 0.000 0.804 748 E CB -0.075 29.615 29.700 -0.016 0.000 0.757 748 E HN 0.503 nan 8.360 nan 0.000 0.448 749 E N -0.196 120.003 120.200 -0.001 0.000 2.114 749 E HA -0.201 4.148 4.350 -0.002 0.000 0.199 749 E C 2.007 178.621 176.600 0.024 0.000 1.008 749 E CA 1.214 57.622 56.400 0.013 0.000 0.810 749 E CB -0.603 29.102 29.700 0.008 0.000 0.739 749 E HN 0.442 nan 8.360 nan 0.000 0.456 750 G N 1.164 109.972 108.800 0.014 0.000 2.491 750 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.218 750 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.218 750 G C 1.702 176.631 174.900 0.048 0.000 1.180 750 G CA 0.993 46.107 45.100 0.023 0.000 0.774 750 G HN 0.227 nan 8.290 nan 0.000 0.562 751 R N 0.480 121.001 120.500 0.034 0.000 2.105 751 R HA -0.008 4.331 4.340 -0.002 0.000 0.239 751 R C 3.034 179.381 176.300 0.079 0.000 1.135 751 R CA 1.073 57.207 56.100 0.057 0.000 0.967 751 R CB -0.374 29.943 30.300 0.029 0.000 0.861 751 R HN 0.385 nan 8.270 nan 0.000 0.442 752 A N 1.810 124.662 122.820 0.053 0.000 1.835 752 A HA -0.168 4.150 4.320 -0.002 0.000 0.215 752 A C 2.078 179.691 177.584 0.049 0.000 1.199 752 A CA 1.267 53.333 52.037 0.047 0.000 0.615 752 A CB -0.528 18.497 19.000 0.041 0.000 0.838 752 A HN 0.085 nan 8.150 nan 0.000 0.444 753 I N -1.370 119.236 120.570 0.059 0.000 2.091 753 I HA -0.316 3.852 4.170 -0.002 0.000 0.240 753 I C 2.465 178.601 176.117 0.033 0.000 1.046 753 I CA 2.315 63.650 61.300 0.057 0.000 1.306 753 I CB -1.798 36.246 38.000 0.073 0.000 1.018 753 I HN 0.544 nan 8.210 nan 0.000 0.404 754 Y N 2.390 122.660 120.300 -0.050 0.000 2.193 754 Y HA -0.299 4.250 4.550 -0.002 0.000 0.285 754 Y C 2.480 178.311 175.900 -0.114 0.000 1.166 754 Y CA 2.002 60.050 58.100 -0.087 0.000 1.181 754 Y CB -0.497 37.926 38.460 -0.062 0.000 0.976 754 Y HN 0.263 nan 8.280 nan 0.000 0.520 755 N N 0.380 119.038 118.700 -0.070 0.000 2.069 755 N HA -0.191 4.547 4.740 -0.002 0.000 0.191 755 N C 1.387 176.765 175.510 -0.220 0.000 1.031 755 N CA 1.671 54.641 53.050 -0.134 0.000 0.852 755 N CB -0.551 37.924 38.487 -0.021 0.000 1.018 755 N HN 0.418 nan 8.380 nan 0.000 0.423 756 N N 0.654 119.252 118.700 -0.170 0.000 2.080 756 N HA -0.094 4.645 4.740 -0.002 0.000 0.189 756 N C 1.756 177.012 175.510 -0.424 0.000 1.036 756 N CA 0.651 53.600 53.050 -0.167 0.000 0.846 756 N CB -0.525 37.936 38.487 -0.044 0.000 1.015 756 N HN 0.283 nan 8.380 nan 0.000 0.423 757 M N 1.233 120.496 119.600 -0.562 0.000 2.108 757 M HA -0.243 4.235 4.480 -0.002 0.000 0.257 757 M C 1.955 177.484 176.300 -1.285 0.000 1.071 757 M CA 1.742 56.316 55.300 -1.210 0.000 1.093 757 M CB -0.012 32.243 32.600 -0.574 0.000 1.345 757 M HN 0.037 nan 8.290 nan 0.000 0.403 758 K N -0.629 119.227 120.400 -0.908 0.000 2.209 758 K HA -0.202 4.116 4.320 -0.002 0.000 0.204 758 K C 1.851 178.176 176.600 -0.459 0.000 1.048 758 K CA 1.306 57.150 56.287 -0.739 0.000 0.940 758 K CB 0.051 32.107 32.500 -0.740 0.000 0.729 758 K HN 0.458 nan 8.250 nan 0.000 0.451 759 Q N 0.219 119.780 119.800 -0.398 0.000 1.984 759 Q HA -0.111 4.228 4.340 -0.002 0.000 0.196 759 Q C 2.063 178.012 176.000 -0.086 0.000 0.975 759 Q CA 1.515 57.212 55.803 -0.177 0.000 0.827 759 Q CB -0.714 27.960 28.738 -0.106 0.000 0.894 759 Q HN 0.488 nan 8.270 nan 0.000 0.438 760 F N 0.019 119.928 119.950 -0.069 0.000 2.287 760 F HA -0.107 4.419 4.527 -0.003 0.000 0.301 760 F C 1.872 177.671 175.800 -0.002 0.000 1.069 760 F CA 0.672 58.678 58.000 0.009 0.000 1.372 760 F CB -0.991 37.981 39.000 -0.046 0.000 1.056 760 F HN -0.030 nan 8.300 nan 0.000 0.523 761 I N 0.473 120.994 120.570 -0.081 0.000 2.233 761 I HA -0.198 3.970 4.170 -0.002 0.000 0.243 761 I C 2.693 178.749 176.117 -0.103 0.000 1.093 761 I CA 1.189 62.450 61.300 -0.065 0.000 1.380 761 I CB -0.450 37.391 38.000 -0.265 0.000 1.067 761 I HN 0.054 nan 8.210 nan 0.000 0.413 762 R N -0.234 120.196 120.500 -0.117 0.000 2.091 762 R HA -0.243 4.095 4.340 -0.002 0.000 0.238 762 R C 2.382 178.537 176.300 -0.242 0.000 1.136 762 R CA 1.898 57.900 56.100 -0.164 0.000 0.959 762 R CB -0.623 29.673 30.300 -0.007 0.000 0.856 762 R HN 0.350 nan 8.270 nan 0.000 0.437 763 Y N 1.597 121.790 120.300 -0.178 0.000 2.070 763 Y HA -0.213 4.336 4.550 -0.003 0.000 0.280 763 Y C 1.837 177.644 175.900 -0.155 0.000 1.148 763 Y CA 1.509 59.526 58.100 -0.138 0.000 1.125 763 Y CB -0.596 37.847 38.460 -0.029 0.000 0.975 763 Y HN -0.070 nan 8.280 nan 0.000 0.492 764 L N -0.315 120.701 121.223 -0.344 0.000 2.017 764 L HA -0.252 4.086 4.340 -0.002 0.000 0.208 764 L C 2.563 179.242 176.870 -0.318 0.000 1.073 764 L CA 1.159 55.731 54.840 -0.447 0.000 0.745 764 L CB -0.712 41.200 42.059 -0.246 0.000 0.894 764 L HN 0.300 nan 8.230 nan 0.000 0.432 765 I N 0.254 120.665 120.570 -0.265 0.000 2.163 765 I HA -0.302 3.867 4.170 -0.002 0.000 0.243 765 I C 2.938 178.903 176.117 -0.254 0.000 1.085 765 I CA 2.013 63.173 61.300 -0.233 0.000 1.347 765 I CB -1.071 36.784 38.000 -0.242 0.000 1.044 765 I HN 0.416 nan 8.210 nan 0.000 0.408 766 S N 1.193 116.641 115.700 -0.421 0.000 2.359 766 S HA -0.228 4.241 4.470 -0.002 0.000 0.224 766 S C 2.302 176.767 174.600 -0.225 0.000 1.035 766 S CA 2.070 60.005 58.200 -0.442 0.000 1.018 766 S CB -0.937 61.814 63.200 -0.748 0.000 0.876 766 S HN 0.583 nan 8.310 nan 0.000 0.448 767 S N 2.788 118.344 115.700 -0.241 0.000 2.374 767 S HA -0.239 4.229 4.470 -0.002 0.000 0.227 767 S C 1.695 176.221 174.600 -0.123 0.000 1.037 767 S CA 1.651 59.744 58.200 -0.178 0.000 1.024 767 S CB -1.356 61.677 63.200 -0.278 0.000 0.861 767 S HN 0.731 nan 8.310 nan 0.000 0.456 768 N N 1.186 119.810 118.700 -0.126 0.000 2.120 768 N HA -0.047 4.692 4.740 -0.002 0.000 0.188 768 N C 1.681 177.170 175.510 -0.036 0.000 1.024 768 N CA 1.406 54.420 53.050 -0.059 0.000 0.852 768 N CB -0.508 37.966 38.487 -0.022 0.000 1.003 768 N HN 0.289 nan 8.380 nan 0.000 0.424 769 V N 0.552 120.434 119.914 -0.054 0.000 2.282 769 V HA -0.228 3.890 4.120 -0.002 0.000 0.249 769 V C 2.391 178.463 176.094 -0.037 0.000 1.057 769 V CA 2.208 64.480 62.300 -0.048 0.000 1.032 769 V CB -1.318 30.457 31.823 -0.080 0.000 0.645 769 V HN 0.468 nan 8.190 nan 0.000 0.447 770 G N -0.781 107.998 108.800 -0.035 0.000 2.402 770 G HA2 -0.213 3.745 3.960 -0.002 0.000 0.216 770 G HA3 -0.213 3.745 3.960 -0.002 0.000 0.216 770 G C 1.439 176.339 174.900 -0.000 0.000 1.162 770 G CA 0.806 45.900 45.100 -0.011 0.000 0.777 770 G HN 0.576 nan 8.290 nan 0.000 0.539 771 E N -0.075 120.121 120.200 -0.008 0.000 2.097 771 E HA -0.127 4.221 4.350 -0.002 0.000 0.196 771 E C 2.676 179.289 176.600 0.022 0.000 1.000 771 E CA 1.093 57.496 56.400 0.005 0.000 0.804 771 E CB -0.154 29.545 29.700 -0.002 0.000 0.740 771 E HN 0.316 nan 8.360 nan 0.000 0.454 772 V N 0.734 120.659 119.914 0.018 0.000 2.358 772 V HA -0.210 3.908 4.120 -0.002 0.000 0.246 772 V C 2.313 178.451 176.094 0.073 0.000 1.047 772 V CA 1.205 63.526 62.300 0.035 0.000 1.035 772 V CB -0.212 31.617 31.823 0.010 0.000 0.658 772 V HN 0.137 nan 8.190 nan 0.000 0.452 773 V N -0.633 119.314 119.914 0.056 0.000 2.332 773 V HA -0.336 3.782 4.120 -0.002 0.000 0.248 773 V C 2.579 178.754 176.094 0.135 0.000 1.055 773 V CA 2.185 64.549 62.300 0.106 0.000 1.038 773 V CB -0.850 31.006 31.823 0.055 0.000 0.651 773 V HN 0.805 nan 8.190 nan 0.000 0.450 774 C N 0.395 119.739 119.300 0.073 0.000 2.413 774 C HA -0.191 4.267 4.460 -0.002 0.000 0.278 774 C C 2.598 177.626 174.990 0.063 0.000 1.224 774 C CA 1.194 60.243 59.018 0.052 0.000 1.732 774 C CB -1.038 26.719 27.740 0.028 0.000 2.050 774 C HN 0.531 nan 8.230 nan 0.000 0.463 775 I N 0.578 121.189 120.570 0.070 0.000 2.315 775 I HA -0.151 4.017 4.170 -0.002 0.000 0.251 775 I C 2.345 178.514 176.117 0.087 0.000 1.125 775 I CA 1.885 63.222 61.300 0.061 0.000 1.392 775 I CB -1.469 36.565 38.000 0.058 0.000 1.065 775 I HN 0.468 nan 8.210 nan 0.000 0.424 776 F N 1.446 121.390 119.950 -0.008 0.000 2.259 776 F HA -0.092 4.434 4.527 -0.002 0.000 0.298 776 F C 2.178 177.980 175.800 0.003 0.000 1.088 776 F CA 1.235 59.230 58.000 -0.008 0.000 1.358 776 F CB -0.140 38.855 39.000 -0.008 0.000 1.040 776 F HN -0.112 nan 8.300 nan 0.000 0.505 777 L N -1.029 120.133 121.223 -0.101 0.000 2.034 777 L HA -0.145 4.193 4.340 -0.002 0.000 0.203 777 L C 2.539 179.323 176.870 -0.143 0.000 1.074 777 L CA 1.599 56.332 54.840 -0.179 0.000 0.748 777 L CB -1.398 40.644 42.059 -0.028 0.000 0.905 777 L HN 0.081 nan 8.230 nan 0.000 0.439 778 T N -0.276 114.248 114.554 -0.050 0.000 2.714 778 T HA -0.292 4.056 4.350 -0.002 0.000 0.268 778 T C 1.566 176.282 174.700 0.027 0.000 1.036 778 T CA 1.941 64.040 62.100 -0.003 0.000 1.148 778 T CB -0.002 68.877 68.868 0.018 0.000 0.856 778 T HN 0.469 nan 8.240 nan 0.000 0.462 779 A N -0.457 122.340 122.820 -0.039 0.000 2.115 779 A HA 0.675 4.993 4.320 -0.002 0.000 0.211 779 A C 2.359 179.880 177.584 -0.105 0.000 1.169 779 A CA 0.972 53.019 52.037 0.016 0.000 0.787 779 A CB -0.449 18.530 19.000 -0.036 0.000 0.858 779 A HN 0.563 nan 8.150 nan 0.000 0.474 780 A N -0.620 122.003 122.820 -0.329 0.000 2.206 780 A HA 0.341 4.660 4.320 -0.002 0.000 0.211 780 A C 1.743 179.201 177.584 -0.209 0.000 1.158 780 A CA 0.738 52.538 52.037 -0.396 0.000 0.761 780 A CB -0.331 18.182 19.000 -0.813 0.000 0.801 780 A HN 0.439 nan 8.150 nan 0.000 0.473 781 L N -2.641 118.499 121.223 -0.139 0.000 2.500 781 L HA 0.307 4.646 4.340 -0.002 0.000 0.219 781 L C 1.654 178.471 176.870 -0.087 0.000 1.057 781 L CA 0.675 55.453 54.840 -0.103 0.000 0.854 781 L CB 0.070 42.077 42.059 -0.088 0.000 1.078 781 L HN 0.481 nan 8.230 nan 0.000 0.480 782 G N 1.389 110.186 108.800 -0.005 0.000 2.131 782 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.223 782 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.223 782 G C 0.038 174.990 174.900 0.087 0.000 0.990 782 G CA 0.235 45.336 45.100 0.002 0.000 0.671 782 G HN 0.210 nan 8.290 nan 0.000 0.521 783 L N -1.704 119.595 121.223 0.127 0.000 2.469 783 L HA 0.954 5.293 4.340 -0.002 0.000 0.253 783 L C -2.269 174.665 176.870 0.106 0.000 1.143 783 L CA -2.612 52.290 54.840 0.102 0.000 0.804 783 L CB -0.499 41.529 42.059 -0.051 0.000 1.214 783 L HN -0.112 nan 8.230 nan 0.000 0.476 784 P HA 0.124 nan 4.420 nan 0.000 0.271 784 P C -1.114 176.136 177.300 -0.083 0.000 1.216 784 P CA -0.211 62.609 63.100 -0.466 0.000 0.771 784 P CB 0.249 31.532 31.700 -0.696 0.000 0.864 785 E N 1.829 122.033 120.200 0.007 0.000 2.729 785 E HA -0.050 4.298 4.350 -0.002 0.000 0.246 785 E C 0.896 177.513 176.600 0.028 0.000 0.984 785 E CA 0.059 56.474 56.400 0.025 0.000 0.951 785 E CB 0.249 29.965 29.700 0.026 0.000 0.914 785 E HN 0.449 nan 8.360 nan 0.000 0.509 786 A N 4.856 127.697 122.820 0.035 0.000 1.975 786 A HA 0.066 4.385 4.320 -0.002 0.000 0.215 786 A C 0.699 178.300 177.584 0.029 0.000 1.170 786 A CA 0.583 52.647 52.037 0.046 0.000 0.656 786 A CB 0.311 19.341 19.000 0.050 0.000 0.821 786 A HN 0.497 nan 8.150 nan 0.000 0.449 787 L N 0.674 121.915 121.223 0.030 0.000 2.408 787 L HA 0.473 4.812 4.340 -0.002 0.000 0.268 787 L C -1.137 175.761 176.870 0.047 0.000 0.986 787 L CA -0.757 54.105 54.840 0.037 0.000 0.820 787 L CB 2.138 44.220 42.059 0.037 0.000 1.303 787 L HN 0.035 nan 8.230 nan 0.000 0.411 788 I N 3.334 123.942 120.570 0.064 0.000 2.437 788 I HA 0.300 4.469 4.170 -0.002 0.000 0.298 788 I C -1.483 174.692 176.117 0.096 0.000 0.984 788 I CA -2.436 58.908 61.300 0.073 0.000 1.214 788 I CB 1.657 39.701 38.000 0.073 0.000 1.365 788 I HN 0.311 nan 8.210 nan 0.000 0.469 789 P HA -0.171 nan 4.420 nan 0.000 0.216 789 P C 1.761 179.137 177.300 0.127 0.000 1.154 789 P CA 1.230 64.388 63.100 0.096 0.000 0.865 789 P CB 0.296 32.048 31.700 0.088 0.000 0.789 790 V N -0.552 119.434 119.914 0.119 0.000 2.295 790 V HA -0.303 3.816 4.120 -0.002 0.000 0.246 790 V C 2.410 178.698 176.094 0.324 0.000 1.049 790 V CA 1.948 64.328 62.300 0.133 0.000 1.024 790 V CB -1.519 30.282 31.823 -0.037 0.000 0.648 790 V HN 0.191 nan 8.190 nan 0.000 0.447 791 Q N -0.057 119.942 119.800 0.332 0.000 2.046 791 Q HA -0.123 4.215 4.340 -0.002 0.000 0.200 791 Q C 2.345 178.529 176.000 0.306 0.000 0.975 791 Q CA 1.620 57.654 55.803 0.384 0.000 0.836 791 Q CB -0.373 28.508 28.738 0.239 0.000 0.896 791 Q HN 0.526 nan 8.270 nan 0.000 0.428 792 L N 0.527 121.868 121.223 0.197 0.000 2.013 792 L HA -0.266 4.073 4.340 -0.002 0.000 0.212 792 L C 2.412 179.370 176.870 0.147 0.000 1.073 792 L CA 1.214 56.135 54.840 0.135 0.000 0.753 792 L CB -0.663 41.450 42.059 0.091 0.000 0.890 792 L HN 0.278 nan 8.230 nan 0.000 0.432 793 L N -1.204 120.126 121.223 0.179 0.000 1.989 793 L HA -0.306 4.033 4.340 -0.002 0.000 0.211 793 L C 2.540 179.536 176.870 0.209 0.000 1.071 793 L CA 1.792 56.730 54.840 0.163 0.000 0.749 793 L CB -0.840 41.325 42.059 0.176 0.000 0.890 793 L HN 0.568 nan 8.230 nan 0.000 0.431 794 W N 0.654 122.050 121.300 0.160 0.000 2.321 794 W HA -0.218 4.441 4.660 -0.002 0.000 0.306 794 W C 2.084 178.639 176.519 0.060 0.000 1.217 794 W CA 1.898 59.333 57.345 0.150 0.000 1.257 794 W CB -0.151 29.434 29.460 0.208 0.000 1.145 794 W HN -0.028 nan 8.180 nan 0.000 0.509 795 V N 1.719 121.721 119.914 0.146 0.000 2.323 795 V HA -0.311 3.808 4.120 -0.002 0.000 0.244 795 V C 2.128 178.162 176.094 -0.100 0.000 1.041 795 V CA 2.142 64.438 62.300 -0.006 0.000 1.025 795 V CB -0.970 30.893 31.823 0.067 0.000 0.656 795 V HN 0.125 nan 8.190 nan 0.000 0.451 796 N N -0.163 118.501 118.700 -0.061 0.000 2.396 796 N HA -0.001 4.737 4.740 -0.002 0.000 0.180 796 N C 1.610 177.042 175.510 -0.131 0.000 1.028 796 N CA 1.012 54.002 53.050 -0.100 0.000 0.893 796 N CB 0.013 38.464 38.487 -0.061 0.000 0.967 796 N HN 0.403 nan 8.380 nan 0.000 0.440 797 L N -0.552 120.585 121.223 -0.144 0.000 2.276 797 L HA 0.073 4.412 4.340 -0.002 0.000 0.194 797 L C 1.957 178.661 176.870 -0.277 0.000 1.099 797 L CA 0.491 55.224 54.840 -0.178 0.000 0.800 797 L CB -0.383 41.596 42.059 -0.133 0.000 0.994 797 L HN -0.108 nan 8.230 nan 0.000 0.475 798 V N -0.291 119.339 119.914 -0.474 0.000 2.284 798 V HA -0.206 3.912 4.120 -0.002 0.000 0.236 798 V C 2.685 178.520 176.094 -0.432 0.000 1.044 798 V CA 2.117 64.047 62.300 -0.616 0.000 1.019 798 V CB -1.021 30.011 31.823 -1.318 0.000 0.657 798 V HN 0.631 nan 8.190 nan 0.000 0.465 799 T N -1.234 113.045 114.554 -0.459 0.000 2.778 799 T HA -0.278 4.070 4.350 -0.002 0.000 0.269 799 T C 1.368 176.024 174.700 -0.074 0.000 1.050 799 T CA 2.325 64.328 62.100 -0.163 0.000 1.137 799 T CB -0.510 68.336 68.868 -0.036 0.000 0.860 799 T HN 0.421 nan 8.240 nan 0.000 0.468 800 D N 0.751 121.088 120.400 -0.105 0.000 2.327 800 D HA 0.247 4.885 4.640 -0.002 0.000 0.205 800 D C 2.324 178.605 176.300 -0.032 0.000 0.989 800 D CA 0.826 54.799 54.000 -0.044 0.000 0.873 800 D CB -0.669 40.023 40.800 -0.179 0.000 0.955 800 D HN 0.536 nan 8.370 nan 0.000 0.515 801 G N 0.928 109.654 108.800 -0.123 0.000 2.433 801 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.216 801 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.216 801 G C 1.631 176.458 174.900 -0.121 0.000 1.186 801 G CA 0.464 45.474 45.100 -0.149 0.000 0.779 801 G HN 0.231 nan 8.290 nan 0.000 0.543 802 L N 1.109 122.276 121.223 -0.094 0.000 1.997 802 L HA -0.140 4.199 4.340 -0.002 0.000 0.216 802 L C 0.169 177.016 176.870 -0.037 0.000 1.074 802 L CA 1.801 56.608 54.840 -0.055 0.000 0.763 802 L CB -1.428 40.620 42.059 -0.018 0.000 0.890 802 L HN 0.227 nan 8.230 nan 0.000 0.434 803 P HA -0.124 nan 4.420 nan 0.000 0.218 803 P C 1.418 178.680 177.300 -0.064 0.000 1.149 803 P CA 1.646 64.739 63.100 -0.013 0.000 0.817 803 P CB -0.010 31.707 31.700 0.028 0.000 0.785 804 A N -0.131 122.710 122.820 0.034 0.000 1.877 804 A HA -0.192 4.126 4.320 -0.002 0.000 0.216 804 A C 2.293 179.661 177.584 -0.360 0.000 1.186 804 A CA 2.647 54.665 52.037 -0.032 0.000 0.620 804 A CB -2.038 16.937 19.000 -0.041 0.000 0.822 804 A HN 0.328 nan 8.150 nan 0.000 0.443 805 T N -1.853 112.451 114.554 -0.415 0.000 2.788 805 T HA 0.017 4.365 4.350 -0.002 0.000 0.268 805 T C 1.955 176.241 174.700 -0.689 0.000 1.044 805 T CA 1.767 63.526 62.100 -0.569 0.000 1.139 805 T CB -0.694 67.933 68.868 -0.401 0.000 0.867 805 T HN 0.608 nan 8.240 nan 0.000 0.454 806 A N 2.095 124.675 122.820 -0.400 0.000 1.883 806 A HA 0.070 4.388 4.320 -0.002 0.000 0.217 806 A C 2.432 179.820 177.584 -0.325 0.000 1.186 806 A CA 1.622 53.488 52.037 -0.286 0.000 0.624 806 A CB -1.151 17.859 19.000 0.016 0.000 0.822 806 A HN 0.556 nan 8.150 nan 0.000 0.444 807 L N -0.385 120.714 121.223 -0.205 0.000 2.351 807 L HA -0.177 4.162 4.340 -0.002 0.000 0.220 807 L C 2.547 179.372 176.870 -0.075 0.000 1.127 807 L CA 0.677 55.463 54.840 -0.089 0.000 0.786 807 L CB -0.541 41.514 42.059 -0.006 0.000 0.914 807 L HN 0.530 nan 8.230 nan 0.000 0.443 808 G N -0.566 108.057 108.800 -0.296 0.000 2.484 808 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.218 808 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.218 808 G C 0.807 175.566 174.900 -0.235 0.000 1.130 808 G CA 0.069 45.012 45.100 -0.261 0.000 0.784 808 G HN 0.312 nan 8.290 nan 0.000 0.543 809 F N 1.073 121.001 119.950 -0.037 0.000 2.730 809 F HA 0.378 4.904 4.527 -0.002 0.000 0.295 809 F C 0.353 176.175 175.800 0.038 0.000 1.143 809 F CA -1.990 55.978 58.000 -0.053 0.000 1.367 809 F CB -0.907 37.965 39.000 -0.214 0.000 0.970 809 F HN -0.152 nan 8.300 nan 0.000 0.514 810 N N 3.663 122.446 118.700 0.137 0.000 2.454 810 N HA 0.060 4.798 4.740 -0.002 0.000 0.254 810 N C -2.356 173.214 175.510 0.100 0.000 1.228 810 N CA -1.434 51.676 53.050 0.100 0.000 0.900 810 N CB 0.170 38.677 38.487 0.033 0.000 1.089 810 N HN 0.012 nan 8.380 nan 0.000 0.449 811 P HA 0.091 nan 4.420 nan 0.000 0.262 811 P C -2.515 174.814 177.300 0.050 0.000 1.182 811 P CA -0.653 62.492 63.100 0.074 0.000 0.761 811 P CB -0.172 31.563 31.700 0.059 0.000 0.795 812 P HA 0.195 nan 4.420 nan 0.000 0.280 812 P C -0.288 177.028 177.300 0.026 0.000 1.244 812 P CA -0.057 63.064 63.100 0.035 0.000 0.784 812 P CB 0.317 32.040 31.700 0.038 0.000 0.913 813 D N 1.504 121.916 120.400 0.020 0.000 2.478 813 D HA -0.035 4.603 4.640 -0.002 0.000 0.234 813 D C 1.354 177.664 176.300 0.016 0.000 1.154 813 D CA 0.313 54.322 54.000 0.015 0.000 0.874 813 D CB 0.607 41.415 40.800 0.013 0.000 1.198 813 D HN 0.310 nan 8.370 nan 0.000 0.455 814 L N 1.161 122.393 121.223 0.014 0.000 2.418 814 L HA -0.064 4.275 4.340 -0.002 0.000 0.218 814 L C 1.472 178.348 176.870 0.011 0.000 1.125 814 L CA 0.616 55.464 54.840 0.013 0.000 0.835 814 L CB -0.163 41.904 42.059 0.012 0.000 0.953 814 L HN 0.396 nan 8.230 nan 0.000 0.454 815 D N -0.351 120.055 120.400 0.010 0.000 2.358 815 D HA 0.005 4.643 4.640 -0.002 0.000 0.224 815 D C 1.720 178.027 176.300 0.011 0.000 1.123 815 D CA -0.054 53.951 54.000 0.009 0.000 0.833 815 D CB -0.033 40.771 40.800 0.006 0.000 0.946 815 D HN 0.287 nan 8.370 nan 0.000 0.505 816 I N 0.226 120.804 120.570 0.013 0.000 2.151 816 I HA -0.254 3.915 4.170 -0.002 0.000 0.243 816 I C 1.802 177.926 176.117 0.012 0.000 1.080 816 I CA 1.039 62.349 61.300 0.016 0.000 1.339 816 I CB -0.225 37.785 38.000 0.018 0.000 1.039 816 I HN 0.031 nan 8.210 nan 0.000 0.409 817 M N 0.022 119.628 119.600 0.009 0.000 2.652 817 M HA 0.042 4.520 4.480 -0.002 0.000 0.226 817 M C 0.221 176.525 176.300 0.007 0.000 1.244 817 M CA 0.876 56.179 55.300 0.006 0.000 0.986 817 M CB -0.777 31.826 32.600 0.004 0.000 1.666 817 M HN 0.215 nan 8.290 nan 0.000 0.460 818 D N -0.373 120.032 120.400 0.008 0.000 2.500 818 D HA 0.170 4.809 4.640 -0.002 0.000 0.218 818 D C 0.497 176.801 176.300 0.007 0.000 1.140 818 D CA 0.124 54.128 54.000 0.007 0.000 0.830 818 D CB 1.432 42.236 40.800 0.006 0.000 1.055 818 D HN 0.281 nan 8.370 nan 0.000 0.512 819 R N 1.517 122.022 120.500 0.008 0.000 2.598 819 R HA 0.367 4.705 4.340 -0.002 0.000 0.279 819 R C -2.223 174.082 176.300 0.008 0.000 0.984 819 R CA -1.445 54.660 56.100 0.009 0.000 0.999 819 R CB 1.629 31.936 30.300 0.012 0.000 1.114 819 R HN -0.059 nan 8.270 nan 0.000 0.493 820 P HA 0.136 nan 4.420 nan 0.000 0.275 820 P C -2.603 174.698 177.300 0.002 0.000 1.270 820 P CA -1.225 61.878 63.100 0.005 0.000 0.791 820 P CB -0.386 31.318 31.700 0.006 0.000 1.089 821 P HA 0.212 nan 4.420 nan 0.000 0.271 821 P C 0.082 177.372 177.300 -0.017 0.000 1.216 821 P CA -0.103 62.990 63.100 -0.012 0.000 0.771 821 P CB 0.252 31.944 31.700 -0.013 0.000 0.864 822 R N 2.552 123.033 120.500 -0.031 0.000 2.570 822 R HA 0.133 4.471 4.340 -0.002 0.000 0.277 822 R C 0.126 176.398 176.300 -0.046 0.000 1.039 822 R CA 0.057 56.135 56.100 -0.037 0.000 1.065 822 R CB 0.130 30.388 30.300 -0.071 0.000 0.964 822 R HN 0.415 nan 8.270 nan 0.000 0.428 823 S N 4.442 120.129 115.700 -0.023 0.000 2.505 823 S HA 0.172 4.641 4.470 -0.002 0.000 0.276 823 S C -1.656 172.921 174.600 -0.038 0.000 1.274 823 S CA -1.603 56.586 58.200 -0.018 0.000 1.053 823 S CB 1.197 64.399 63.200 0.003 0.000 0.919 823 S HN 0.587 nan 8.310 nan 0.000 0.490 824 P HA -0.037 nan 4.420 nan 0.000 0.218 824 P C 0.549 177.832 177.300 -0.027 0.000 1.149 824 P CA 1.146 64.209 63.100 -0.062 0.000 0.817 824 P CB 0.133 31.804 31.700 -0.048 0.000 0.785 825 K N -0.256 120.141 120.400 -0.006 0.000 2.525 825 K HA -0.015 4.303 4.320 -0.002 0.000 0.192 825 K C 0.705 177.319 176.600 0.024 0.000 1.029 825 K CA 0.079 56.372 56.287 0.010 0.000 1.029 825 K CB -0.123 32.385 32.500 0.012 0.000 0.814 825 K HN 0.309 nan 8.250 nan 0.000 0.503 826 E N 2.600 122.816 120.200 0.026 0.000 2.299 826 E HA 0.055 4.404 4.350 -0.002 0.000 0.272 826 E C -2.437 174.206 176.600 0.071 0.000 1.043 826 E CA -2.153 54.276 56.400 0.048 0.000 0.895 826 E CB 0.627 30.359 29.700 0.054 0.000 1.011 826 E HN -0.097 nan 8.360 nan 0.000 0.432 827 P HA 0.018 nan 4.420 nan 0.000 0.275 827 P C 0.387 177.752 177.300 0.108 0.000 1.227 827 P CA -0.079 63.075 63.100 0.089 0.000 0.781 827 P CB 0.761 32.508 31.700 0.080 0.000 0.906 828 L N 1.796 123.084 121.223 0.108 0.000 2.141 828 L HA 0.025 4.364 4.340 -0.002 0.000 0.209 828 L C 0.730 177.676 176.870 0.126 0.000 1.094 828 L CA 1.395 56.290 54.840 0.091 0.000 0.763 828 L CB -0.043 42.039 42.059 0.039 0.000 0.908 828 L HN 0.377 nan 8.230 nan 0.000 0.437 829 I N -1.026 119.644 120.570 0.168 0.000 2.548 829 I HA 0.239 4.408 4.170 -0.002 0.000 0.287 829 I C -0.616 175.655 176.117 0.258 0.000 1.103 829 I CA -0.216 61.233 61.300 0.248 0.000 1.049 829 I CB 1.963 40.160 38.000 0.329 0.000 1.232 829 I HN -0.048 nan 8.210 nan 0.000 0.429 830 S N 3.569 119.411 115.700 0.236 0.000 2.655 830 S HA 0.887 5.355 4.470 -0.002 0.000 0.266 830 S C 0.036 174.753 174.600 0.195 0.000 1.149 830 S CA -0.141 58.153 58.200 0.157 0.000 0.818 830 S CB 1.316 64.555 63.200 0.066 0.000 1.130 830 S HN 1.470 nan 8.310 nan 0.000 0.476 831 G N 1.521 110.406 108.800 0.141 0.000 2.611 831 G HA2 -0.372 3.587 3.960 -0.002 0.000 0.301 831 G HA3 -0.372 3.587 3.960 -0.002 0.000 0.301 831 G C 0.859 175.948 174.900 0.314 0.000 1.233 831 G CA 0.649 45.866 45.100 0.195 0.000 0.993 831 G HN 1.383 nan 8.290 nan 0.000 0.553 832 W N 0.209 121.589 121.300 0.134 0.000 2.355 832 W HA -0.029 4.629 4.660 -0.002 0.000 0.309 832 W C 2.473 179.095 176.519 0.173 0.000 1.206 832 W CA 2.156 59.596 57.345 0.157 0.000 1.284 832 W CB -0.410 29.104 29.460 0.090 0.000 1.145 832 W HN 0.520 nan 8.180 nan 0.000 0.502 833 L N 1.201 122.488 121.223 0.108 0.000 2.189 833 L HA -0.229 4.110 4.340 -0.002 0.000 0.214 833 L C 2.294 179.082 176.870 -0.137 0.000 1.097 833 L CA 2.013 56.782 54.840 -0.117 0.000 0.764 833 L CB -1.587 40.491 42.059 0.032 0.000 0.900 833 L HN 0.054 nan 8.230 nan 0.000 0.436 834 F N -0.689 119.237 119.950 -0.040 0.000 2.031 834 F HA -0.263 4.263 4.527 -0.002 0.000 0.295 834 F C 2.318 178.085 175.800 -0.054 0.000 1.133 834 F CA 1.926 59.946 58.000 0.033 0.000 1.188 834 F CB -0.869 38.182 39.000 0.084 0.000 0.974 834 F HN 0.166 nan 8.300 nan 0.000 0.473 835 F N 1.631 121.511 119.950 -0.116 0.000 2.115 835 F HA -0.270 4.255 4.527 -0.002 0.000 0.300 835 F C 2.433 177.915 175.800 -0.531 0.000 1.092 835 F CA 2.067 59.876 58.000 -0.319 0.000 1.245 835 F CB -0.614 38.171 39.000 -0.358 0.000 0.995 835 F HN -0.072 nan 8.300 nan 0.000 0.481 836 R N -1.231 118.807 120.500 -0.770 0.000 2.082 836 R HA -0.221 4.118 4.340 -0.002 0.000 0.234 836 R C 2.162 178.111 176.300 -0.586 0.000 1.136 836 R CA 2.107 57.731 56.100 -0.793 0.000 0.935 836 R CB -1.005 28.822 30.300 -0.788 0.000 0.842 836 R HN 0.306 nan 8.270 nan 0.000 0.430 837 Y N 0.325 120.395 120.300 -0.383 0.000 2.274 837 Y HA -0.180 4.369 4.550 -0.003 0.000 0.290 837 Y C 2.289 177.950 175.900 -0.398 0.000 1.145 837 Y CA 0.972 58.884 58.100 -0.314 0.000 1.203 837 Y CB -0.495 37.815 38.460 -0.249 0.000 0.984 837 Y HN 0.075 nan 8.280 nan 0.000 0.533 838 M N 0.347 119.678 119.600 -0.449 0.000 2.115 838 M HA -0.202 4.277 4.480 -0.002 0.000 0.258 838 M C 2.351 178.422 176.300 -0.381 0.000 1.071 838 M CA 2.305 57.306 55.300 -0.498 0.000 1.100 838 M CB -0.857 31.381 32.600 -0.602 0.000 1.292 838 M HN 0.138 nan 8.290 nan 0.000 0.415 839 A N 0.554 123.039 122.820 -0.558 0.000 1.851 839 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 839 A C 2.131 179.602 177.584 -0.188 0.000 1.195 839 A CA 2.043 53.822 52.037 -0.431 0.000 0.622 839 A CB -1.207 17.406 19.000 -0.646 0.000 0.831 839 A HN 0.625 nan 8.150 nan 0.000 0.444 840 I N 0.132 120.601 120.570 -0.168 0.000 2.145 840 I HA -0.279 3.890 4.170 -0.002 0.000 0.244 840 I C 2.687 178.837 176.117 0.055 0.000 1.075 840 I CA 1.809 63.100 61.300 -0.016 0.000 1.332 840 I CB -2.053 35.970 38.000 0.037 0.000 1.033 840 I HN 0.393 nan 8.210 nan 0.000 0.410 841 G N 0.746 109.542 108.800 -0.007 0.000 2.446 841 G HA2 -0.217 3.741 3.960 -0.002 0.000 0.217 841 G HA3 -0.217 3.741 3.960 -0.002 0.000 0.217 841 G C 1.761 176.665 174.900 0.006 0.000 1.168 841 G CA 0.965 46.059 45.100 -0.009 0.000 0.771 841 G HN 0.490 nan 8.290 nan 0.000 0.551 842 G N -0.388 108.400 108.800 -0.020 0.000 2.475 842 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.220 842 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.220 842 G C 1.618 176.542 174.900 0.041 0.000 1.125 842 G CA 1.219 46.321 45.100 0.003 0.000 0.755 842 G HN 0.467 nan 8.290 nan 0.000 0.565 843 Y N 1.326 121.601 120.300 -0.042 0.000 2.153 843 Y HA -0.099 4.450 4.550 -0.002 0.000 0.289 843 Y C 2.917 178.814 175.900 -0.004 0.000 1.127 843 Y CA 1.995 60.082 58.100 -0.021 0.000 1.131 843 Y CB -0.466 37.977 38.460 -0.027 0.000 0.995 843 Y HN 0.114 nan 8.280 nan 0.000 0.505 844 V N -0.790 119.165 119.914 0.069 0.000 2.490 844 V HA -0.087 4.032 4.120 -0.002 0.000 0.250 844 V C 2.174 178.228 176.094 -0.067 0.000 1.061 844 V CA 2.155 64.449 62.300 -0.008 0.000 1.064 844 V CB -1.572 30.293 31.823 0.070 0.000 0.670 844 V HN 0.442 nan 8.190 nan 0.000 0.461 845 G N -0.344 108.434 108.800 -0.037 0.000 2.432 845 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.219 845 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.219 845 G C 1.657 176.530 174.900 -0.044 0.000 1.135 845 G CA 1.139 46.229 45.100 -0.017 0.000 0.767 845 G HN 0.902 nan 8.290 nan 0.000 0.550 846 A N 1.169 123.925 122.820 -0.107 0.000 1.855 846 A HA 0.453 4.772 4.320 -0.002 0.000 0.213 846 A C 2.841 180.325 177.584 -0.167 0.000 1.195 846 A CA 1.869 53.832 52.037 -0.124 0.000 0.610 846 A CB -0.971 17.933 19.000 -0.162 0.000 0.837 846 A HN 0.756 nan 8.150 nan 0.000 0.444 847 A N 0.089 122.717 122.820 -0.319 0.000 1.903 847 A HA -0.238 4.081 4.320 -0.002 0.000 0.219 847 A C 2.487 179.999 177.584 -0.120 0.000 1.191 847 A CA 3.249 55.120 52.037 -0.276 0.000 0.638 847 A CB -1.647 17.136 19.000 -0.362 0.000 0.823 847 A HN 0.811 nan 8.150 nan 0.000 0.451 848 T N -2.926 111.577 114.554 -0.085 0.000 2.737 848 T HA -0.090 4.258 4.350 -0.002 0.000 0.265 848 T C 1.724 176.427 174.700 0.005 0.000 1.038 848 T CA 1.530 63.610 62.100 -0.033 0.000 1.144 848 T CB -0.904 67.952 68.868 -0.020 0.000 0.866 848 T HN 0.080 nan 8.240 nan 0.000 0.434 849 V N 2.113 122.031 119.914 0.006 0.000 2.295 849 V HA 0.004 4.123 4.120 -0.002 0.000 0.246 849 V C 3.125 179.263 176.094 0.074 0.000 1.049 849 V CA 1.991 64.313 62.300 0.037 0.000 1.024 849 V CB -1.481 30.355 31.823 0.021 0.000 0.648 849 V HN 0.709 nan 8.190 nan 0.000 0.447 850 G N -0.590 108.242 108.800 0.054 0.000 2.418 850 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.217 850 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.217 850 G C 1.795 176.801 174.900 0.177 0.000 1.158 850 G CA 1.096 46.260 45.100 0.107 0.000 0.771 850 G HN 0.609 nan 8.290 nan 0.000 0.545 851 A N 1.308 124.187 122.820 0.098 0.000 1.873 851 A HA 0.116 4.434 4.320 -0.002 0.000 0.218 851 A C 2.825 180.582 177.584 0.288 0.000 1.193 851 A CA 2.715 54.823 52.037 0.118 0.000 0.629 851 A CB -0.923 18.079 19.000 0.003 0.000 0.826 851 A HN 0.895 nan 8.150 nan 0.000 0.447 852 A N -0.720 122.234 122.820 0.224 0.000 1.968 852 A HA 0.293 4.612 4.320 -0.002 0.000 0.217 852 A C 2.379 180.251 177.584 0.480 0.000 1.169 852 A CA 1.723 53.928 52.037 0.281 0.000 0.638 852 A CB -0.785 18.334 19.000 0.198 0.000 0.812 852 A HN 1.109 nan 8.150 nan 0.000 0.446 853 A N -1.891 121.166 122.820 0.395 0.000 2.119 853 A HA -0.014 4.304 4.320 -0.002 0.000 0.217 853 A C 1.815 179.627 177.584 0.380 0.000 1.153 853 A CA 1.172 53.434 52.037 0.375 0.000 0.692 853 A CB -0.669 18.449 19.000 0.196 0.000 0.799 853 A HN 0.866 nan 8.150 nan 0.000 0.458 854 W N -1.071 120.362 121.300 0.222 0.000 2.443 854 W HA -0.076 4.583 4.660 -0.002 0.000 0.296 854 W C 1.829 178.467 176.519 0.198 0.000 1.202 854 W CA 1.269 58.736 57.345 0.204 0.000 1.312 854 W CB -0.480 29.091 29.460 0.186 0.000 1.120 854 W HN 0.433 nan 8.180 nan 0.000 0.536 855 W N 0.227 121.529 121.300 0.004 0.000 2.525 855 W HA -0.107 4.552 4.660 -0.002 0.000 0.259 855 W C 1.427 177.695 176.519 -0.417 0.000 1.253 855 W CA 1.576 58.688 57.345 -0.388 0.000 1.262 855 W CB -0.471 28.872 29.460 -0.195 0.000 1.122 855 W HN -0.090 nan 8.180 nan 0.000 0.607 856 F N -0.052 119.933 119.950 0.059 0.000 2.092 856 F HA 0.165 4.690 4.527 -0.003 0.000 0.286 856 F C 1.527 177.129 175.800 -0.329 0.000 1.116 856 F CA 1.147 59.092 58.000 -0.092 0.000 1.185 856 F CB -0.797 38.246 39.000 0.072 0.000 1.034 856 F HN -0.430 nan 8.300 nan 0.000 0.479 857 M N 0.014 119.551 119.600 -0.105 0.000 2.113 857 M HA 0.197 4.675 4.480 -0.002 0.000 0.352 857 M C -1.109 174.835 176.300 -0.594 0.000 1.170 857 M CA -0.282 54.756 55.300 -0.436 0.000 1.053 857 M CB 0.692 32.957 32.600 -0.559 0.000 1.601 857 M HN 0.295 nan 8.290 nan 0.000 0.459 858 Y N -0.750 119.370 120.300 -0.299 0.000 4.954 858 Y HA -0.149 4.400 4.550 -0.003 0.000 0.261 858 Y C 0.281 175.761 175.900 -0.700 0.000 0.922 858 Y CA 0.012 57.891 58.100 -0.368 0.000 1.908 858 Y CB -2.375 35.962 38.460 -0.204 0.000 1.374 858 Y HN 0.808 nan 8.280 nan 0.000 0.586 859 A N 0.451 122.853 122.820 -0.697 0.000 2.310 859 A HA 0.615 4.934 4.320 -0.002 0.000 0.299 859 A C 1.124 178.364 177.584 -0.573 0.000 1.147 859 A CA -0.171 51.310 52.037 -0.928 0.000 0.818 859 A CB 0.655 18.934 19.000 -1.202 0.000 1.096 859 A HN 0.363 nan 8.150 nan 0.000 0.495 860 E N 0.418 120.363 120.200 -0.425 0.000 2.447 860 E HA -0.059 4.290 4.350 -0.002 0.000 0.195 860 E C 0.039 176.492 176.600 -0.246 0.000 1.028 860 E CA 0.341 56.594 56.400 -0.245 0.000 0.876 860 E CB 0.320 29.957 29.700 -0.105 0.000 0.885 860 E HN 0.706 nan 8.360 nan 0.000 0.500 861 D N -0.281 119.918 120.400 -0.335 0.000 2.379 861 D HA 0.051 4.689 4.640 -0.002 0.000 0.218 861 D C 0.704 176.762 176.300 -0.404 0.000 1.006 861 D CA 0.487 54.348 54.000 -0.231 0.000 0.893 861 D CB 0.453 41.249 40.800 -0.007 0.000 1.019 861 D HN 0.047 nan 8.370 nan 0.000 0.503 862 G N 1.082 109.330 108.800 -0.921 0.000 2.432 862 G HA2 0.482 4.441 3.960 -0.002 0.000 0.331 862 G HA3 0.482 4.441 3.960 -0.002 0.000 0.331 862 G C -2.633 171.769 174.900 -0.829 0.000 1.170 862 G CA -1.372 43.014 45.100 -1.189 0.000 0.943 862 G HN -0.197 nan 8.290 nan 0.000 0.483 863 P HA 0.111 nan 4.420 nan 0.000 0.268 863 P C 0.510 177.616 177.300 -0.324 0.000 1.282 863 P CA 0.154 63.044 63.100 -0.350 0.000 0.880 863 P CB 0.634 32.192 31.700 -0.237 0.000 0.971 864 G N 3.142 111.754 108.800 -0.315 0.000 2.428 864 G HA2 0.152 4.110 3.960 -0.002 0.000 0.293 864 G HA3 0.152 4.110 3.960 -0.002 0.000 0.293 864 G C 0.968 175.769 174.900 -0.165 0.000 1.059 864 G CA -0.482 44.456 45.100 -0.270 0.000 1.194 864 G HN 0.355 nan 8.290 nan 0.000 0.435 865 V N 3.234 123.085 119.914 -0.104 0.000 3.559 865 V HA -0.091 4.028 4.120 -0.002 0.000 0.272 865 V C 1.972 178.006 176.094 -0.099 0.000 1.235 865 V CA 1.310 63.586 62.300 -0.040 0.000 1.192 865 V CB -2.134 29.702 31.823 0.022 0.000 0.930 865 V HN 1.114 nan 8.190 nan 0.000 0.492 866 T N -0.038 114.393 114.554 -0.205 0.000 14.016 866 T HA -0.429 3.919 4.350 -0.002 0.000 0.419 866 T C 0.579 175.073 174.700 -0.344 0.000 1.441 866 T CA 2.116 64.043 62.100 -0.287 0.000 2.336 866 T CB -0.933 67.825 68.868 -0.183 0.000 2.765 866 T HN 0.608 nan 8.240 nan 0.000 0.338 867 Y N 2.604 122.637 120.300 -0.446 0.000 2.658 867 Y HA 0.435 4.984 4.550 -0.003 0.000 0.276 867 Y C 0.569 176.246 175.900 -0.370 0.000 1.167 867 Y CA -0.286 57.609 58.100 -0.342 0.000 1.230 867 Y CB -0.272 38.058 38.460 -0.217 0.000 1.144 867 Y HN 0.572 nan 8.280 nan 0.000 0.529 868 H N 2.163 121.051 119.070 -0.302 0.000 2.652 868 H HA 0.137 4.692 4.556 -0.002 0.000 0.298 868 H C 0.019 175.151 175.328 -0.327 0.000 1.076 868 H CA -0.722 55.100 56.048 -0.376 0.000 1.360 868 H CB 0.703 30.215 29.762 -0.417 0.000 1.421 868 H HN 0.176 nan 8.280 nan 0.000 0.464 869 Q N 3.994 123.660 119.800 -0.223 0.000 3.910 869 Q HA -0.169 4.169 4.340 -0.002 0.000 0.382 869 Q C 0.262 176.223 176.000 -0.065 0.000 1.094 869 Q CA 0.234 55.946 55.803 -0.153 0.000 1.335 869 Q CB -0.227 28.517 28.738 0.009 0.000 0.996 869 Q HN 0.651 nan 8.270 nan 0.000 0.454 870 L N 3.747 124.906 121.223 -0.106 0.000 2.610 870 L HA -0.058 4.280 4.340 -0.002 0.000 0.232 870 L C 1.910 178.745 176.870 -0.058 0.000 1.149 870 L CA 1.832 56.658 54.840 -0.024 0.000 0.872 870 L CB -0.398 41.619 42.059 -0.070 0.000 0.992 870 L HN 0.757 nan 8.230 nan 0.000 0.447 871 T N -4.220 110.244 114.554 -0.151 0.000 2.777 871 T HA -0.211 4.138 4.350 -0.002 0.000 0.266 871 T C 1.582 176.113 174.700 -0.282 0.000 1.040 871 T CA 1.461 63.458 62.100 -0.173 0.000 1.141 871 T CB -0.896 67.771 68.868 -0.335 0.000 0.868 871 T HN 0.511 nan 8.240 nan 0.000 0.444 872 H N 1.709 120.662 119.070 -0.196 0.000 2.565 872 H HA 0.130 4.685 4.556 -0.002 0.000 0.285 872 H C 1.472 176.547 175.328 -0.421 0.000 1.064 872 H CA 0.694 56.564 56.048 -0.296 0.000 1.196 872 H CB -1.094 28.570 29.762 -0.162 0.000 1.332 872 H HN 0.675 nan 8.280 nan 0.000 0.621 873 F N -0.754 118.918 119.950 -0.463 0.000 2.271 873 F HA -0.297 4.229 4.527 -0.003 0.000 0.302 873 F C 1.714 177.137 175.800 -0.629 0.000 1.063 873 F CA 0.837 58.231 58.000 -1.010 0.000 1.362 873 F CB -0.498 37.285 39.000 -2.028 0.000 1.060 873 F HN 0.138 nan 8.300 nan 0.000 0.521 874 M N 0.513 119.354 119.600 -1.264 0.000 2.358 874 M HA -0.087 4.392 4.480 -0.002 0.000 0.264 874 M C 0.263 176.326 176.300 -0.395 0.000 1.064 874 M CA 1.269 56.025 55.300 -0.908 0.000 1.093 874 M CB -0.939 31.113 32.600 -0.914 0.000 1.401 874 M HN 0.402 nan 8.290 nan 0.000 0.440 875 Q N -1.156 118.480 119.800 -0.274 0.000 2.571 875 Q HA 0.196 4.535 4.340 -0.002 0.000 0.243 875 Q C 0.342 176.339 176.000 -0.006 0.000 1.055 875 Q CA -0.416 55.316 55.803 -0.118 0.000 0.815 875 Q CB 1.728 30.399 28.738 -0.112 0.000 1.151 875 Q HN 0.280 nan 8.270 nan 0.000 0.519 876 C N 0.796 120.129 119.300 0.054 0.000 2.638 876 C HA 0.047 4.505 4.460 -0.002 0.000 0.470 876 C C 2.256 177.339 174.990 0.156 0.000 1.382 876 C CA 0.748 59.861 59.018 0.158 0.000 2.604 876 C CB 0.388 28.299 27.740 0.286 0.000 2.937 876 C HN 0.771 nan 8.230 nan 0.000 0.556 877 T N 1.494 116.112 114.554 0.105 0.000 2.746 877 T HA -0.115 4.233 4.350 -0.002 0.000 0.267 877 T C 1.523 176.322 174.700 0.166 0.000 1.039 877 T CA 1.782 63.922 62.100 0.066 0.000 1.142 877 T CB -0.289 68.586 68.868 0.012 0.000 0.866 877 T HN 0.563 nan 8.240 nan 0.000 0.444 878 E N 1.196 121.464 120.200 0.113 0.000 2.106 878 E HA -0.056 4.292 4.350 -0.002 0.000 0.192 878 E C 1.158 177.823 176.600 0.109 0.000 0.984 878 E CA 0.875 57.335 56.400 0.099 0.000 0.806 878 E CB -0.231 29.481 29.700 0.020 0.000 0.750 878 E HN 0.369 nan 8.360 nan 0.000 0.458 879 D N 0.437 120.896 120.400 0.099 0.000 2.894 879 D HA -0.025 4.614 4.640 -0.002 0.000 0.273 879 D C 0.794 177.132 176.300 0.064 0.000 1.328 879 D CA -0.161 53.862 54.000 0.037 0.000 0.845 879 D CB -0.257 40.562 40.800 0.031 0.000 1.072 879 D HN 0.209 nan 8.370 nan 0.000 0.484 880 H N -1.214 117.868 119.070 0.019 0.000 2.568 880 H HA 0.069 4.624 4.556 -0.003 0.000 0.281 880 H C -1.640 173.695 175.328 0.012 0.000 1.028 880 H CA -0.055 56.009 56.048 0.026 0.000 1.199 880 H CB -0.570 29.206 29.762 0.023 0.000 1.352 880 H HN 0.279 nan 8.280 nan 0.000 0.605 881 P HA 0.085 nan 4.420 nan 0.000 0.298 881 P C -0.068 177.173 177.300 -0.099 0.000 1.310 881 P CA 0.221 63.226 63.100 -0.159 0.000 0.991 881 P CB 0.336 31.886 31.700 -0.250 0.000 1.512 882 H N 0.281 119.219 119.070 -0.221 0.000 2.572 882 H HA 0.397 4.951 4.556 -0.003 0.000 0.248 882 H C -0.330 174.809 175.328 -0.314 0.000 1.397 882 H CA -0.741 55.066 56.048 -0.401 0.000 1.319 882 H CB -1.275 28.237 29.762 -0.417 0.000 1.452 882 H HN -0.227 nan 8.280 nan 0.000 0.535 883 F N 0.986 120.772 119.950 -0.273 0.000 2.411 883 F HA -0.214 4.312 4.527 -0.002 0.000 0.393 883 F C -0.105 175.618 175.800 -0.127 0.000 0.576 883 F CA 0.453 58.277 58.000 -0.294 0.000 1.609 883 F CB -1.698 37.029 39.000 -0.454 0.000 2.186 883 F HN 0.473 nan 8.300 nan 0.000 0.274 884 E N 0.096 120.355 120.200 0.099 0.000 2.683 884 E HA 0.597 4.945 4.350 -0.002 0.000 0.224 884 E C 0.854 177.508 176.600 0.090 0.000 1.046 884 E CA 0.396 56.864 56.400 0.114 0.000 0.811 884 E CB 0.822 30.619 29.700 0.160 0.000 1.296 884 E HN 0.283 nan 8.360 nan 0.000 0.421 885 G N 2.333 111.169 108.800 0.060 0.000 3.949 885 G HA2 0.444 4.402 3.960 -0.002 0.000 0.295 885 G HA3 0.444 4.402 3.960 -0.002 0.000 0.295 885 G C -0.226 174.694 174.900 0.033 0.000 1.286 885 G CA -0.110 45.018 45.100 0.047 0.000 1.171 885 G HN 0.267 nan 8.290 nan 0.000 0.586 886 L N -4.852 116.392 121.223 0.035 0.000 2.656 886 L HA 0.691 5.030 4.340 -0.002 0.000 0.252 886 L C -0.352 176.521 176.870 0.005 0.000 1.129 886 L CA -1.351 53.492 54.840 0.004 0.000 0.962 886 L CB 0.228 42.270 42.059 -0.027 0.000 1.565 886 L HN -0.098 nan 8.230 nan 0.000 0.389 887 D N -0.652 119.735 120.400 -0.021 0.000 2.192 887 D HA 0.126 4.765 4.640 -0.002 0.000 0.238 887 D C 0.550 176.848 176.300 -0.004 0.000 1.348 887 D CA 0.872 54.862 54.000 -0.017 0.000 0.938 887 D CB 0.895 41.678 40.800 -0.030 0.000 1.256 887 D HN 0.931 nan 8.370 nan 0.000 0.529 888 C N -1.842 117.474 119.300 0.027 0.000 3.911 888 C HA 0.439 4.897 4.460 -0.002 0.000 0.318 888 C C 1.443 176.528 174.990 0.159 0.000 1.643 888 C CA -0.588 58.503 59.018 0.122 0.000 1.845 888 C CB -0.739 27.102 27.740 0.168 0.000 2.981 888 C HN 0.630 nan 8.230 nan 0.000 0.656 889 E N 1.248 121.490 120.200 0.070 0.000 2.474 889 E HA 0.189 4.537 4.350 -0.002 0.000 0.194 889 E C 1.720 178.362 176.600 0.070 0.000 1.041 889 E CA 0.199 56.655 56.400 0.094 0.000 0.874 889 E CB 0.060 29.792 29.700 0.053 0.000 0.914 889 E HN 0.545 nan 8.360 nan 0.000 0.498 890 I N 0.622 121.169 120.570 -0.039 0.000 2.657 890 I HA -0.221 3.948 4.170 -0.002 0.000 0.261 890 I C 1.089 177.285 176.117 0.131 0.000 1.212 890 I CA 1.166 62.448 61.300 -0.031 0.000 1.453 890 I CB -0.884 37.013 38.000 -0.172 0.000 1.092 890 I HN 0.209 nan 8.210 nan 0.000 0.452 891 F N 1.205 121.331 119.950 0.293 0.000 2.558 891 F HA -0.051 4.474 4.527 -0.003 0.000 0.298 891 F C 2.010 177.906 175.800 0.160 0.000 1.119 891 F CA 0.636 58.783 58.000 0.245 0.000 1.451 891 F CB -0.457 38.549 39.000 0.010 0.000 1.091 891 F HN 0.196 nan 8.300 nan 0.000 0.563 892 E N 0.066 120.421 120.200 0.259 0.000 2.499 892 E HA 0.321 4.670 4.350 -0.002 0.000 0.199 892 E C 0.606 177.229 176.600 0.038 0.000 1.016 892 E CA -0.288 56.191 56.400 0.133 0.000 0.933 892 E CB 0.241 30.007 29.700 0.109 0.000 1.050 892 E HN 0.157 nan 8.360 nan 0.000 0.462 893 A N 2.249 125.072 122.820 0.005 0.000 2.483 893 A HA 0.110 4.428 4.320 -0.002 0.000 0.238 893 A C -1.613 175.789 177.584 -0.302 0.000 1.070 893 A CA -0.899 51.031 52.037 -0.179 0.000 0.770 893 A CB 0.200 19.015 19.000 -0.309 0.000 1.008 893 A HN -0.044 nan 8.150 nan 0.000 0.497 894 P HA -0.008 nan 4.420 nan 0.000 0.221 894 P C 0.863 177.890 177.300 -0.456 0.000 1.155 894 P CA 0.887 63.810 63.100 -0.294 0.000 0.812 894 P CB 0.239 31.812 31.700 -0.211 0.000 0.801 895 E N 0.515 120.288 120.200 -0.712 0.000 2.058 895 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 895 E C -0.454 175.530 176.600 -1.026 0.000 0.997 895 E CA 2.119 57.946 56.400 -0.956 0.000 0.801 895 E CB -2.176 26.675 29.700 -1.414 0.000 0.746 895 E HN 0.415 nan 8.360 nan 0.000 0.450 896 P HA -0.164 nan 4.420 nan 0.000 0.218 896 P C 1.247 178.389 177.300 -0.264 0.000 1.149 896 P CA 1.502 64.227 63.100 -0.625 0.000 0.817 896 P CB 0.045 31.413 31.700 -0.554 0.000 0.785 897 M N -0.295 119.147 119.600 -0.263 0.000 2.193 897 M HA -0.059 4.420 4.480 -0.002 0.000 0.265 897 M C 2.367 178.577 176.300 -0.151 0.000 1.071 897 M CA 2.330 57.549 55.300 -0.136 0.000 1.140 897 M CB -1.067 31.476 32.600 -0.096 0.000 1.369 897 M HN 0.018 nan 8.290 nan 0.000 0.423 898 T N -1.347 113.071 114.554 -0.227 0.000 3.007 898 T HA -0.096 4.252 4.350 -0.002 0.000 0.270 898 T C 1.766 176.315 174.700 -0.252 0.000 1.107 898 T CA 0.733 62.696 62.100 -0.229 0.000 1.118 898 T CB -0.065 68.625 68.868 -0.297 0.000 0.889 898 T HN 0.131 nan 8.240 nan 0.000 0.506 899 M N 1.584 121.038 119.600 -0.243 0.000 2.064 899 M HA 0.221 4.699 4.480 -0.002 0.000 0.260 899 M C 2.887 179.105 176.300 -0.136 0.000 1.073 899 M CA 1.862 57.050 55.300 -0.188 0.000 1.124 899 M CB -1.518 31.045 32.600 -0.061 0.000 1.326 899 M HN 0.503 nan 8.290 nan 0.000 0.410 900 A N -0.210 122.563 122.820 -0.077 0.000 1.969 900 A HA -0.145 4.174 4.320 -0.002 0.000 0.218 900 A C 2.247 179.798 177.584 -0.056 0.000 1.169 900 A CA 1.235 53.246 52.037 -0.045 0.000 0.635 900 A CB -0.913 18.084 19.000 -0.004 0.000 0.810 900 A HN 0.523 nan 8.150 nan 0.000 0.445 901 L N -0.772 120.413 121.223 -0.063 0.000 2.109 901 L HA -0.083 4.256 4.340 -0.002 0.000 0.207 901 L C 2.369 179.192 176.870 -0.078 0.000 1.086 901 L CA 1.784 56.602 54.840 -0.037 0.000 0.760 901 L CB -0.127 41.931 42.059 -0.003 0.000 0.910 901 L HN 0.284 nan 8.230 nan 0.000 0.437 902 S N -1.129 114.492 115.700 -0.131 0.000 2.453 902 S HA -0.131 4.337 4.470 -0.002 0.000 0.231 902 S C 1.759 176.270 174.600 -0.149 0.000 1.005 902 S CA 1.081 59.160 58.200 -0.202 0.000 0.949 902 S CB 0.067 62.993 63.200 -0.457 0.000 0.774 902 S HN 0.468 nan 8.310 nan 0.000 0.510 903 V N 1.402 121.246 119.914 -0.117 0.000 2.453 903 V HA -0.030 4.089 4.120 -0.002 0.000 0.247 903 V C 1.909 177.993 176.094 -0.016 0.000 1.048 903 V CA 1.193 63.460 62.300 -0.055 0.000 1.049 903 V CB -0.276 31.509 31.823 -0.062 0.000 0.672 903 V HN 0.416 nan 8.190 nan 0.000 0.457 904 L N 0.055 121.260 121.223 -0.031 0.000 1.961 904 L HA -0.080 4.258 4.340 -0.002 0.000 0.210 904 L C 2.484 179.349 176.870 -0.009 0.000 1.072 904 L CA 2.560 57.394 54.840 -0.010 0.000 0.749 904 L CB -0.876 41.175 42.059 -0.013 0.000 0.889 904 L HN 0.169 nan 8.230 nan 0.000 0.432 905 V N 0.054 119.931 119.914 -0.061 0.000 2.277 905 V HA -0.429 3.689 4.120 -0.002 0.000 0.253 905 V C 2.654 178.752 176.094 0.007 0.000 1.067 905 V CA 2.636 64.886 62.300 -0.083 0.000 1.047 905 V CB -1.257 30.363 31.823 -0.338 0.000 0.649 905 V HN 0.834 nan 8.190 nan 0.000 0.447 906 T N -1.973 112.609 114.554 0.047 0.000 2.857 906 T HA -0.019 4.330 4.350 -0.002 0.000 0.266 906 T C 1.806 176.569 174.700 0.104 0.000 1.048 906 T CA 1.348 63.517 62.100 0.115 0.000 1.139 906 T CB -0.386 68.597 68.868 0.191 0.000 0.874 906 T HN 0.409 nan 8.240 nan 0.000 0.455 907 I N 1.135 121.761 120.570 0.093 0.000 2.361 907 I HA -0.118 4.051 4.170 -0.002 0.000 0.251 907 I C 2.838 179.026 176.117 0.119 0.000 1.133 907 I CA 1.142 62.510 61.300 0.114 0.000 1.413 907 I CB -0.327 37.748 38.000 0.126 0.000 1.073 907 I HN 0.173 nan 8.210 nan 0.000 0.424 908 E N 0.452 120.719 120.200 0.111 0.000 2.072 908 E HA -0.154 4.195 4.350 -0.002 0.000 0.191 908 E C 2.222 178.941 176.600 0.198 0.000 0.985 908 E CA 1.139 57.639 56.400 0.167 0.000 0.801 908 E CB -0.192 29.577 29.700 0.115 0.000 0.750 908 E HN 0.353 nan 8.360 nan 0.000 0.452 909 M N -0.053 119.625 119.600 0.130 0.000 2.213 909 M HA -0.125 4.354 4.480 -0.002 0.000 0.263 909 M C 2.482 178.820 176.300 0.063 0.000 1.062 909 M CA 0.825 56.182 55.300 0.094 0.000 1.105 909 M CB -1.454 31.199 32.600 0.089 0.000 1.385 909 M HN 0.142 nan 8.290 nan 0.000 0.417 910 C N 0.434 119.781 119.300 0.078 0.000 2.440 910 C HA -0.096 4.363 4.460 -0.002 0.000 0.278 910 C C 2.608 177.625 174.990 0.045 0.000 1.295 910 C CA 0.929 59.981 59.018 0.056 0.000 1.738 910 C CB -1.324 26.455 27.740 0.065 0.000 1.987 910 C HN 0.585 nan 8.230 nan 0.000 0.492 911 N N 1.054 119.810 118.700 0.093 0.000 2.244 911 N HA -0.022 4.717 4.740 -0.002 0.000 0.183 911 N C 1.632 177.136 175.510 -0.009 0.000 1.016 911 N CA 1.342 54.463 53.050 0.118 0.000 0.866 911 N CB -0.258 38.375 38.487 0.243 0.000 0.980 911 N HN 0.449 nan 8.380 nan 0.000 0.430 912 A N -0.248 122.490 122.820 -0.137 0.000 2.172 912 A HA 0.006 4.324 4.320 -0.002 0.000 0.216 912 A C 1.910 179.331 177.584 -0.273 0.000 1.154 912 A CA 0.738 52.454 52.037 -0.536 0.000 0.701 912 A CB -0.373 18.352 19.000 -0.459 0.000 0.789 912 A HN 0.325 nan 8.150 nan 0.000 0.465 913 L N -1.944 119.204 121.223 -0.125 0.000 2.357 913 L HA 0.051 4.389 4.340 -0.002 0.000 0.211 913 L C 1.733 178.561 176.870 -0.070 0.000 1.075 913 L CA 0.588 55.376 54.840 -0.086 0.000 0.830 913 L CB -0.324 41.707 42.059 -0.047 0.000 0.996 913 L HN 0.353 nan 8.230 nan 0.000 0.467 914 N N -0.553 118.122 118.700 -0.041 0.000 2.512 914 N HA -0.076 4.663 4.740 -0.002 0.000 0.183 914 N C 1.288 176.795 175.510 -0.005 0.000 1.073 914 N CA 0.421 53.464 53.050 -0.011 0.000 0.911 914 N CB 0.216 38.718 38.487 0.024 0.000 0.964 914 N HN 0.081 nan 8.380 nan 0.000 0.447 915 S N 0.113 115.786 115.700 -0.044 0.000 2.556 915 S HA 0.217 4.686 4.470 -0.002 0.000 0.216 915 S C 1.469 176.033 174.600 -0.060 0.000 0.970 915 S CA -0.175 58.002 58.200 -0.037 0.000 0.912 915 S CB 0.252 63.394 63.200 -0.097 0.000 0.790 915 S HN 0.280 nan 8.310 nan 0.000 0.504 916 L N 0.803 121.984 121.223 -0.069 0.000 2.275 916 L HA 0.089 4.427 4.340 -0.002 0.000 0.215 916 L C 1.038 177.882 176.870 -0.043 0.000 1.119 916 L CA 0.634 55.437 54.840 -0.062 0.000 0.790 916 L CB 0.116 42.129 42.059 -0.077 0.000 0.919 916 L HN 0.228 nan 8.230 nan 0.000 0.443 917 S N -1.767 113.914 115.700 -0.033 0.000 2.536 917 S HA 0.131 4.599 4.470 -0.002 0.000 0.271 917 S C 0.463 175.064 174.600 0.001 0.000 1.134 917 S CA -0.765 57.423 58.200 -0.019 0.000 0.897 917 S CB 1.836 65.020 63.200 -0.026 0.000 1.094 917 S HN 0.219 nan 8.310 nan 0.000 0.473 918 E N 2.446 122.653 120.200 0.010 0.000 2.047 918 E HA -0.108 4.241 4.350 -0.002 0.000 0.191 918 E C 0.573 177.194 176.600 0.034 0.000 0.987 918 E CA 1.430 57.847 56.400 0.029 0.000 0.799 918 E CB 0.010 29.732 29.700 0.036 0.000 0.752 918 E HN 0.649 nan 8.360 nan 0.000 0.449 919 N N -0.510 118.205 118.700 0.025 0.000 2.257 919 N HA 0.019 4.758 4.740 -0.002 0.000 0.200 919 N C -0.525 174.991 175.510 0.010 0.000 1.163 919 N CA 0.061 53.127 53.050 0.028 0.000 0.891 919 N CB 0.587 39.084 38.487 0.018 0.000 1.067 919 N HN 0.012 nan 8.380 nan 0.000 0.497 920 Q N 0.884 120.681 119.800 -0.004 0.000 2.313 920 Q HA 0.124 4.463 4.340 -0.002 0.000 0.266 920 Q C 0.358 176.351 176.000 -0.011 0.000 0.989 920 Q CA 0.108 55.902 55.803 -0.015 0.000 0.890 920 Q CB 0.921 29.642 28.738 -0.028 0.000 1.200 920 Q HN 0.064 nan 8.270 nan 0.000 0.396 921 S N 1.700 117.400 115.700 -0.001 0.000 2.589 921 S HA 0.103 4.571 4.470 -0.002 0.000 0.265 921 S C 1.289 175.869 174.600 -0.034 0.000 1.342 921 S CA -0.406 57.798 58.200 0.007 0.000 1.005 921 S CB 0.414 63.638 63.200 0.041 0.000 0.909 921 S HN 0.655 nan 8.310 nan 0.000 0.555 922 L N 2.743 123.940 121.223 -0.043 0.000 2.376 922 L HA -0.030 4.308 4.340 -0.002 0.000 0.219 922 L C 2.340 179.134 176.870 -0.127 0.000 1.133 922 L CA 0.833 55.614 54.840 -0.099 0.000 0.816 922 L CB -0.277 41.732 42.059 -0.083 0.000 0.933 922 L HN 0.742 nan 8.230 nan 0.000 0.449 923 M N -1.261 118.304 119.600 -0.059 0.000 2.236 923 M HA -0.152 4.326 4.480 -0.002 0.000 0.266 923 M C 2.419 178.689 176.300 -0.049 0.000 1.070 923 M CA 1.456 56.734 55.300 -0.036 0.000 1.137 923 M CB -0.210 32.399 32.600 0.014 0.000 1.378 923 M HN 0.126 nan 8.290 nan 0.000 0.426 924 R N 0.358 120.830 120.500 -0.046 0.000 2.062 924 R HA 0.053 4.391 4.340 -0.002 0.000 0.226 924 R C 0.702 176.950 176.300 -0.087 0.000 1.125 924 R CA 0.847 56.922 56.100 -0.043 0.000 0.966 924 R CB 0.253 30.536 30.300 -0.027 0.000 0.861 924 R HN 0.219 nan 8.270 nan 0.000 0.433 925 M N 2.616 122.141 119.600 -0.126 0.000 2.065 925 M HA 0.378 4.857 4.480 -0.002 0.000 0.332 925 M C -2.453 173.663 176.300 -0.307 0.000 0.988 925 M CA -2.631 52.563 55.300 -0.176 0.000 0.944 925 M CB 1.846 34.376 32.600 -0.116 0.000 1.357 925 M HN -0.125 nan 8.290 nan 0.000 0.388 926 P HA 0.215 nan 4.420 nan 0.000 0.275 926 P C -2.310 174.490 177.300 -0.833 0.000 1.228 926 P CA -1.044 61.455 63.100 -1.003 0.000 0.786 926 P CB -0.099 30.285 31.700 -2.192 0.000 0.927 927 P HA -0.188 nan 4.420 nan 0.000 0.217 927 P C 0.995 178.223 177.300 -0.120 0.000 1.151 927 P CA 1.806 64.764 63.100 -0.236 0.000 0.849 927 P CB -0.535 31.118 31.700 -0.078 0.000 0.787 928 W N -0.385 120.918 121.300 0.005 0.000 2.747 928 W HA 0.058 4.716 4.660 -0.003 0.000 0.244 928 W C 1.422 177.946 176.519 0.008 0.000 1.270 928 W CA -0.107 57.237 57.345 -0.001 0.000 1.333 928 W CB -2.053 27.401 29.460 -0.010 0.000 1.139 928 W HN -0.283 nan 8.180 nan 0.000 0.662 929 V N 1.661 121.526 119.914 -0.082 0.000 2.490 929 V HA -0.249 3.869 4.120 -0.002 0.000 0.250 929 V C 1.048 177.188 176.094 0.077 0.000 1.061 929 V CA 2.076 64.373 62.300 -0.005 0.000 1.064 929 V CB -0.831 30.938 31.823 -0.091 0.000 0.670 929 V HN 0.359 nan 8.190 nan 0.000 0.461 930 N N -0.166 118.584 118.700 0.083 0.000 2.696 930 N HA 0.268 5.006 4.740 -0.002 0.000 0.246 930 N C 0.617 176.217 175.510 0.150 0.000 1.057 930 N CA -0.155 52.991 53.050 0.160 0.000 0.867 930 N CB 0.993 39.572 38.487 0.154 0.000 1.141 930 N HN 0.204 nan 8.380 nan 0.000 0.517 931 I N 1.413 122.032 120.570 0.082 0.000 2.151 931 I HA -0.294 3.874 4.170 -0.002 0.000 0.243 931 I C 1.211 177.312 176.117 -0.026 0.000 1.080 931 I CA 1.484 62.758 61.300 -0.042 0.000 1.339 931 I CB -0.065 37.794 38.000 -0.236 0.000 1.039 931 I HN 0.528 nan 8.210 nan 0.000 0.409 932 W N 0.302 121.668 121.300 0.109 0.000 2.304 932 W HA -0.295 4.363 4.660 -0.003 0.000 0.315 932 W C 2.410 178.981 176.519 0.087 0.000 1.233 932 W CA 0.668 58.095 57.345 0.136 0.000 1.261 932 W CB -1.006 28.630 29.460 0.294 0.000 1.150 932 W HN 0.142 nan 8.180 nan 0.000 0.494 933 L N 0.525 121.922 121.223 0.290 0.000 1.971 933 L HA -0.245 4.094 4.340 -0.002 0.000 0.215 933 L C 2.198 179.124 176.870 0.094 0.000 1.072 933 L CA 1.966 56.887 54.840 0.134 0.000 0.758 933 L CB -1.346 40.754 42.059 0.067 0.000 0.889 933 L HN 0.060 nan 8.230 nan 0.000 0.433 934 L N -0.908 120.366 121.223 0.084 0.000 1.989 934 L HA -0.167 4.172 4.340 -0.002 0.000 0.211 934 L C 2.584 179.488 176.870 0.058 0.000 1.071 934 L CA 1.509 56.387 54.840 0.064 0.000 0.749 934 L CB -1.676 40.425 42.059 0.069 0.000 0.890 934 L HN 0.494 nan 8.230 nan 0.000 0.431 935 G N 0.132 108.963 108.800 0.052 0.000 2.469 935 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.219 935 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.219 935 G C 1.804 176.752 174.900 0.080 0.000 1.150 935 G CA 1.255 46.380 45.100 0.042 0.000 0.763 935 G HN 0.529 nan 8.290 nan 0.000 0.561 936 S N 0.690 116.462 115.700 0.120 0.000 2.368 936 S HA -0.034 4.434 4.470 -0.002 0.000 0.225 936 S C 2.318 176.966 174.600 0.080 0.000 1.030 936 S CA 1.097 59.363 58.200 0.111 0.000 0.999 936 S CB -0.413 62.856 63.200 0.115 0.000 0.844 936 S HN 0.347 nan 8.310 nan 0.000 0.459 937 I N 1.190 121.803 120.570 0.070 0.000 2.335 937 I HA -0.202 3.966 4.170 -0.002 0.000 0.251 937 I C 2.347 178.508 176.117 0.074 0.000 1.129 937 I CA 0.894 62.234 61.300 0.068 0.000 1.402 937 I CB -0.550 37.484 38.000 0.056 0.000 1.069 937 I HN 0.449 nan 8.210 nan 0.000 0.424 938 C N -0.115 119.221 119.300 0.059 0.000 2.486 938 C HA -0.081 4.378 4.460 -0.002 0.000 0.279 938 C C 2.665 177.695 174.990 0.067 0.000 1.302 938 C CA 0.058 59.103 59.018 0.046 0.000 1.720 938 C CB -0.768 26.983 27.740 0.018 0.000 2.030 938 C HN 0.489 nan 8.230 nan 0.000 0.490 939 L N 1.289 122.556 121.223 0.074 0.000 2.131 939 L HA -0.090 4.248 4.340 -0.002 0.000 0.210 939 L C 2.426 179.370 176.870 0.123 0.000 1.092 939 L CA 1.902 56.796 54.840 0.089 0.000 0.759 939 L CB -0.651 41.457 42.059 0.082 0.000 0.903 939 L HN 0.236 nan 8.230 nan 0.000 0.435 940 S N -0.954 114.818 115.700 0.119 0.000 2.345 940 S HA -0.123 4.345 4.470 -0.002 0.000 0.219 940 S C 1.905 176.650 174.600 0.241 0.000 1.031 940 S CA 1.486 59.772 58.200 0.145 0.000 0.984 940 S CB -0.265 62.996 63.200 0.102 0.000 0.874 940 S HN 0.342 nan 8.310 nan 0.000 0.451 941 M N 2.177 121.915 119.600 0.230 0.000 2.065 941 M HA -0.085 4.394 4.480 -0.002 0.000 0.259 941 M C 2.611 179.201 176.300 0.483 0.000 1.069 941 M CA 1.899 57.410 55.300 0.351 0.000 1.110 941 M CB -1.987 30.750 32.600 0.229 0.000 1.328 941 M HN 0.505 nan 8.290 nan 0.000 0.405 942 S N 0.260 116.116 115.700 0.260 0.000 2.368 942 S HA -0.126 4.342 4.470 -0.002 0.000 0.225 942 S C 2.125 176.931 174.600 0.344 0.000 1.030 942 S CA 1.131 59.462 58.200 0.218 0.000 0.999 942 S CB -1.001 62.241 63.200 0.070 0.000 0.844 942 S HN 0.505 nan 8.310 nan 0.000 0.459 943 L N 0.763 122.180 121.223 0.323 0.000 2.127 943 L HA -0.149 4.189 4.340 -0.002 0.000 0.211 943 L C 2.897 180.030 176.870 0.437 0.000 1.089 943 L CA 1.865 56.929 54.840 0.373 0.000 0.757 943 L CB -0.668 41.624 42.059 0.387 0.000 0.899 943 L HN 0.479 nan 8.230 nan 0.000 0.434 944 H N -0.184 119.105 119.070 0.363 0.000 2.321 944 H HA -0.201 4.354 4.556 -0.003 0.000 0.300 944 H C 1.971 177.383 175.328 0.141 0.000 1.087 944 H CA 1.844 58.044 56.048 0.253 0.000 1.319 944 H CB -0.341 29.601 29.762 0.299 0.000 1.379 944 H HN 0.221 nan 8.280 nan 0.000 0.501 945 F N -0.491 119.519 119.950 0.100 0.000 2.186 945 F HA -0.109 4.417 4.527 -0.002 0.000 0.299 945 F C 2.453 178.344 175.800 0.152 0.000 1.090 945 F CA 0.730 58.807 58.000 0.129 0.000 1.307 945 F CB -0.364 38.788 39.000 0.254 0.000 1.019 945 F HN 0.223 nan 8.300 nan 0.000 0.489 946 L N 1.386 122.777 121.223 0.280 0.000 2.043 946 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 946 L C 2.018 178.898 176.870 0.018 0.000 1.075 946 L CA 1.901 56.840 54.840 0.164 0.000 0.752 946 L CB -0.809 41.345 42.059 0.158 0.000 0.891 946 L HN 0.345 nan 8.230 nan 0.000 0.432 947 I N -3.905 116.563 120.570 -0.170 0.000 3.684 947 I HA -0.015 4.154 4.170 -0.002 0.000 0.304 947 I C 1.522 177.443 176.117 -0.326 0.000 1.278 947 I CA 0.559 61.631 61.300 -0.381 0.000 1.272 947 I CB -0.176 37.260 38.000 -0.939 0.000 1.029 947 I HN 0.234 nan 8.210 nan 0.000 0.458 948 L N -0.848 120.203 121.223 -0.286 0.000 2.470 948 L HA 0.138 4.477 4.340 -0.002 0.000 0.219 948 L C 1.778 178.415 176.870 -0.388 0.000 1.071 948 L CA 0.528 55.119 54.840 -0.415 0.000 0.850 948 L CB -0.043 41.630 42.059 -0.644 0.000 1.040 948 L HN 0.221 nan 8.230 nan 0.000 0.475 949 Y N -0.709 119.556 120.300 -0.059 0.000 2.331 949 Y HA 0.116 4.665 4.550 -0.002 0.000 0.282 949 Y C 1.226 177.123 175.900 -0.005 0.000 1.140 949 Y CA -0.350 57.747 58.100 -0.006 0.000 1.198 949 Y CB -0.310 38.176 38.460 0.044 0.000 1.159 949 Y HN -0.389 nan 8.280 nan 0.000 0.512 950 V N 3.609 123.636 119.914 0.189 0.000 2.678 950 V HA -0.213 3.905 4.120 -0.002 0.000 0.304 950 V C 0.643 176.776 176.094 0.064 0.000 1.086 950 V CA 0.248 62.611 62.300 0.104 0.000 1.246 950 V CB -0.057 31.813 31.823 0.079 0.000 0.861 950 V HN 0.419 nan 8.190 nan 0.000 0.491 951 D N 6.396 126.830 120.400 0.056 0.000 2.380 951 D HA -0.174 4.464 4.640 -0.002 0.000 0.198 951 D C -0.158 176.159 176.300 0.029 0.000 1.027 951 D CA 2.073 56.095 54.000 0.037 0.000 0.880 951 D CB -1.589 39.231 40.800 0.033 0.000 1.064 951 D HN 0.520 nan 8.370 nan 0.000 0.465 952 P HA -0.196 nan 4.420 nan 0.000 0.214 952 P C 1.839 179.165 177.300 0.042 0.000 1.164 952 P CA 1.237 64.355 63.100 0.029 0.000 0.942 952 P CB -0.196 31.526 31.700 0.036 0.000 0.791 953 L N -1.091 120.177 121.223 0.074 0.000 2.017 953 L HA -0.239 4.100 4.340 -0.002 0.000 0.234 953 L C -0.228 176.774 176.870 0.220 0.000 1.097 953 L CA 2.880 57.822 54.840 0.170 0.000 0.816 953 L CB -2.824 39.263 42.059 0.048 0.000 0.914 953 L HN 0.121 nan 8.230 nan 0.000 0.444 954 P HA -0.235 nan 4.420 nan 0.000 0.215 954 P C 1.798 179.112 177.300 0.023 0.000 1.157 954 P CA 1.702 64.806 63.100 0.008 0.000 0.868 954 P CB -0.146 31.509 31.700 -0.075 0.000 0.788 955 M N -0.134 119.471 119.600 0.007 0.000 2.106 955 M HA -0.166 4.313 4.480 -0.002 0.000 0.259 955 M C 1.809 178.097 176.300 -0.020 0.000 1.068 955 M CA 2.131 57.424 55.300 -0.011 0.000 1.100 955 M CB -0.589 32.004 32.600 -0.011 0.000 1.351 955 M HN -0.094 nan 8.290 nan 0.000 0.404 956 I N -3.709 116.842 120.570 -0.031 0.000 3.427 956 I HA 0.026 4.194 4.170 -0.002 0.000 0.288 956 I C 0.924 176.915 176.117 -0.210 0.000 1.249 956 I CA 0.554 61.781 61.300 -0.121 0.000 1.421 956 I CB -0.465 37.428 38.000 -0.178 0.000 1.086 956 I HN 0.103 nan 8.210 nan 0.000 0.448 957 F N 2.193 122.094 119.950 -0.082 0.000 2.727 957 F HA 0.298 4.823 4.527 -0.003 0.000 0.302 957 F C 0.631 176.380 175.800 -0.084 0.000 1.097 957 F CA -0.220 57.725 58.000 -0.092 0.000 1.330 957 F CB 0.311 39.213 39.000 -0.162 0.000 1.084 957 F HN -0.074 nan 8.300 nan 0.000 0.578 958 K N 1.106 121.535 120.400 0.049 0.000 3.096 958 K HA -0.176 4.143 4.320 -0.002 0.000 0.266 958 K C -0.949 175.627 176.600 -0.039 0.000 1.043 958 K CA 0.530 56.814 56.287 -0.005 0.000 0.758 958 K CB -2.202 30.296 32.500 -0.002 0.000 1.260 958 K HN 0.332 nan 8.250 nan 0.000 0.481 959 L N -0.079 121.115 121.223 -0.048 0.000 2.381 959 L HA 0.498 4.837 4.340 -0.002 0.000 0.268 959 L C 0.090 176.858 176.870 -0.171 0.000 0.997 959 L CA -0.811 53.950 54.840 -0.131 0.000 0.818 959 L CB 2.292 44.260 42.059 -0.152 0.000 1.310 959 L HN -0.082 nan 8.230 nan 0.000 0.416 960 K N 1.750 122.015 120.400 -0.224 0.000 2.507 960 K HA 0.632 4.950 4.320 -0.002 0.000 0.251 960 K C -0.579 175.856 176.600 -0.275 0.000 0.943 960 K CA -0.689 55.464 56.287 -0.223 0.000 0.794 960 K CB 2.399 34.793 32.500 -0.176 0.000 1.188 960 K HN 0.723 nan 8.250 nan 0.000 0.428 961 A N 2.762 125.380 122.820 -0.336 0.000 2.624 961 A HA 0.046 4.365 4.320 -0.002 0.000 0.231 961 A C -0.107 177.350 177.584 -0.212 0.000 1.034 961 A CA 0.381 52.193 52.037 -0.375 0.000 0.754 961 A CB -0.495 18.199 19.000 -0.510 0.000 0.953 961 A HN 0.572 nan 8.150 nan 0.000 0.509 962 L N 0.330 121.456 121.223 -0.163 0.000 2.342 962 L HA 0.765 5.104 4.340 -0.002 0.000 0.271 962 L C -0.013 176.923 176.870 0.110 0.000 1.008 962 L CA -1.228 53.560 54.840 -0.086 0.000 0.818 962 L CB 1.120 43.039 42.059 -0.235 0.000 1.296 962 L HN 0.729 nan 8.230 nan 0.000 0.427 963 D N 1.614 122.097 120.400 0.139 0.000 2.352 963 D HA 0.005 4.644 4.640 -0.002 0.000 0.238 963 D C 0.876 177.365 176.300 0.314 0.000 1.286 963 D CA -0.055 54.071 54.000 0.209 0.000 0.923 963 D CB 0.504 41.400 40.800 0.160 0.000 1.146 963 D HN 0.668 nan 8.370 nan 0.000 0.471 964 L N -1.276 120.111 121.223 0.273 0.000 2.551 964 L HA -0.051 4.287 4.340 -0.002 0.000 0.228 964 L C 2.185 179.207 176.870 0.253 0.000 1.153 964 L CA 1.069 56.076 54.840 0.277 0.000 0.851 964 L CB -0.632 41.534 42.059 0.179 0.000 0.959 964 L HN 0.607 nan 8.230 nan 0.000 0.451 965 T N -1.582 113.106 114.554 0.224 0.000 3.040 965 T HA -0.023 4.326 4.350 -0.002 0.000 0.252 965 T C 1.756 176.587 174.700 0.220 0.000 1.064 965 T CA 0.547 62.767 62.100 0.200 0.000 1.110 965 T CB 0.256 69.230 68.868 0.176 0.000 0.921 965 T HN 0.325 nan 8.240 nan 0.000 0.480 966 Q N -0.561 119.379 119.800 0.234 0.000 2.083 966 Q HA -0.003 4.335 4.340 -0.002 0.000 0.198 966 Q C 1.854 177.899 176.000 0.075 0.000 0.969 966 Q CA 1.325 57.246 55.803 0.198 0.000 0.838 966 Q CB -0.188 28.665 28.738 0.191 0.000 0.900 966 Q HN 0.606 nan 8.270 nan 0.000 0.436 967 W N 1.200 122.548 121.300 0.079 0.000 2.321 967 W HA -0.220 4.438 4.660 -0.002 0.000 0.306 967 W C 1.797 178.340 176.519 0.039 0.000 1.217 967 W CA 0.982 58.366 57.345 0.065 0.000 1.257 967 W CB -0.093 29.431 29.460 0.106 0.000 1.145 967 W HN 0.128 nan 8.180 nan 0.000 0.509 968 L N -0.782 120.619 121.223 0.296 0.000 2.131 968 L HA -0.244 4.094 4.340 -0.002 0.000 0.210 968 L C 2.375 179.278 176.870 0.055 0.000 1.092 968 L CA 0.856 55.799 54.840 0.171 0.000 0.759 968 L CB -0.723 41.414 42.059 0.132 0.000 0.903 968 L HN 0.056 nan 8.230 nan 0.000 0.435 969 M N -0.305 119.271 119.600 -0.040 0.000 2.117 969 M HA -0.132 4.346 4.480 -0.002 0.000 0.262 969 M C 2.094 178.271 176.300 -0.205 0.000 1.065 969 M CA 1.766 56.909 55.300 -0.263 0.000 1.114 969 M CB -0.393 31.824 32.600 -0.638 0.000 1.361 969 M HN -0.040 nan 8.290 nan 0.000 0.408 970 V N 0.472 120.316 119.914 -0.116 0.000 2.231 970 V HA -0.334 3.785 4.120 -0.002 0.000 0.248 970 V C 2.473 178.589 176.094 0.036 0.000 1.054 970 V CA 2.278 64.537 62.300 -0.067 0.000 1.015 970 V CB -1.042 30.743 31.823 -0.065 0.000 0.638 970 V HN 0.557 nan 8.190 nan 0.000 0.444 971 L N -0.551 120.751 121.223 0.131 0.000 2.081 971 L HA -0.256 4.083 4.340 -0.002 0.000 0.212 971 L C 2.600 179.512 176.870 0.069 0.000 1.080 971 L CA 1.812 56.728 54.840 0.127 0.000 0.754 971 L CB -0.752 41.395 42.059 0.147 0.000 0.893 971 L HN 0.339 nan 8.230 nan 0.000 0.433 972 K N 0.035 120.450 120.400 0.026 0.000 2.148 972 K HA -0.074 4.245 4.320 -0.002 0.000 0.204 972 K C 2.017 178.627 176.600 0.017 0.000 1.050 972 K CA 1.116 57.408 56.287 0.008 0.000 0.942 972 K CB -0.025 32.456 32.500 -0.033 0.000 0.724 972 K HN 0.351 nan 8.250 nan 0.000 0.446 973 I N 0.532 121.097 120.570 -0.010 0.000 2.339 973 I HA -0.220 3.949 4.170 -0.002 0.000 0.245 973 I C 2.607 178.799 176.117 0.124 0.000 1.096 973 I CA 1.007 62.313 61.300 0.011 0.000 1.408 973 I CB -0.423 37.528 38.000 -0.082 0.000 1.092 973 I HN 0.123 nan 8.210 nan 0.000 0.423 974 S N 1.943 117.706 115.700 0.106 0.000 2.329 974 S HA -0.080 4.388 4.470 -0.002 0.000 0.215 974 S C 2.099 176.790 174.600 0.151 0.000 1.031 974 S CA 0.632 58.928 58.200 0.158 0.000 0.985 974 S CB -1.135 62.135 63.200 0.117 0.000 0.917 974 S HN 0.329 nan 8.310 nan 0.000 0.441 975 L N 2.063 123.349 121.223 0.106 0.000 2.123 975 L HA -0.134 4.204 4.340 -0.002 0.000 0.217 975 L C -0.564 176.330 176.870 0.039 0.000 1.081 975 L CA 1.739 56.622 54.840 0.072 0.000 0.772 975 L CB -1.994 40.104 42.059 0.065 0.000 0.890 975 L HN 0.313 nan 8.230 nan 0.000 0.437 976 P HA -0.151 nan 4.420 nan 0.000 0.217 976 P C 1.866 179.070 177.300 -0.160 0.000 1.148 976 P CA 1.066 64.151 63.100 -0.026 0.000 0.828 976 P CB 0.004 31.728 31.700 0.040 0.000 0.783 977 V N 0.029 119.829 119.914 -0.191 0.000 2.277 977 V HA -0.297 3.821 4.120 -0.002 0.000 0.253 977 V C 2.291 178.294 176.094 -0.152 0.000 1.067 977 V CA 1.883 64.013 62.300 -0.284 0.000 1.047 977 V CB -1.303 30.481 31.823 -0.064 0.000 0.649 977 V HN 0.125 nan 8.190 nan 0.000 0.447 978 I N 0.694 121.225 120.570 -0.065 0.000 2.315 978 I HA -0.223 3.945 4.170 -0.002 0.000 0.251 978 I C 2.472 178.562 176.117 -0.046 0.000 1.125 978 I CA 1.738 63.017 61.300 -0.035 0.000 1.392 978 I CB -0.876 37.119 38.000 -0.009 0.000 1.065 978 I HN 0.451 nan 8.210 nan 0.000 0.424 979 G N 0.984 109.743 108.800 -0.068 0.000 2.395 979 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.214 979 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.214 979 G C 1.620 176.474 174.900 -0.075 0.000 1.177 979 G CA 0.398 45.462 45.100 -0.060 0.000 0.794 979 G HN 0.290 nan 8.290 nan 0.000 0.532 980 L N 1.038 122.173 121.223 -0.147 0.000 2.043 980 L HA -0.102 4.237 4.340 -0.002 0.000 0.212 980 L C 2.027 178.848 176.870 -0.081 0.000 1.075 980 L CA 2.839 57.585 54.840 -0.158 0.000 0.752 980 L CB -0.616 41.244 42.059 -0.332 0.000 0.891 980 L HN 0.228 nan 8.230 nan 0.000 0.432 981 D N -1.103 119.251 120.400 -0.077 0.000 2.137 981 D HA -0.154 4.485 4.640 -0.002 0.000 0.202 981 D C 2.026 178.346 176.300 0.034 0.000 0.970 981 D CA 0.766 54.749 54.000 -0.027 0.000 0.837 981 D CB 0.017 40.799 40.800 -0.030 0.000 0.981 981 D HN 0.326 nan 8.370 nan 0.000 0.475 982 E N 0.216 120.430 120.200 0.024 0.000 2.130 982 E HA -0.178 4.171 4.350 -0.002 0.000 0.196 982 E C 2.337 179.008 176.600 0.119 0.000 0.998 982 E CA 0.660 57.097 56.400 0.060 0.000 0.806 982 E CB -0.254 29.464 29.700 0.030 0.000 0.738 982 E HN 0.511 nan 8.360 nan 0.000 0.459 983 I N 0.466 121.090 120.570 0.089 0.000 2.202 983 I HA -0.257 3.912 4.170 -0.002 0.000 0.242 983 I C 2.468 178.742 176.117 0.261 0.000 1.091 983 I CA 0.820 62.196 61.300 0.126 0.000 1.368 983 I CB -0.344 37.694 38.000 0.063 0.000 1.058 983 I HN 0.040 nan 8.210 nan 0.000 0.410 984 L N 0.533 121.906 121.223 0.250 0.000 2.131 984 L HA -0.195 4.143 4.340 -0.002 0.000 0.210 984 L C 2.533 179.681 176.870 0.463 0.000 1.092 984 L CA 1.421 56.517 54.840 0.427 0.000 0.759 984 L CB -0.553 41.656 42.059 0.251 0.000 0.903 984 L HN 0.242 nan 8.230 nan 0.000 0.435 985 K N -0.491 120.081 120.400 0.287 0.000 2.062 985 K HA -0.164 4.155 4.320 -0.002 0.000 0.205 985 K C 2.063 178.779 176.600 0.192 0.000 1.051 985 K CA 1.229 57.647 56.287 0.219 0.000 0.941 985 K CB -0.193 32.388 32.500 0.135 0.000 0.719 985 K HN 0.064 nan 8.250 nan 0.000 0.440 986 F N 1.981 121.981 119.950 0.083 0.000 2.126 986 F HA -0.264 4.262 4.527 -0.002 0.000 0.299 986 F C 1.852 177.680 175.800 0.046 0.000 1.096 986 F CA 1.236 59.268 58.000 0.053 0.000 1.255 986 F CB 0.001 39.044 39.000 0.072 0.000 0.997 986 F HN -0.086 nan 8.300 nan 0.000 0.479 987 I N 0.663 121.426 120.570 0.323 0.000 2.264 987 I HA -0.283 3.886 4.170 -0.002 0.000 0.248 987 I C 2.713 178.705 176.117 -0.209 0.000 1.111 987 I CA 1.446 62.820 61.300 0.124 0.000 1.382 987 I CB -2.188 35.854 38.000 0.071 0.000 1.060 987 I HN 0.268 nan 8.210 nan 0.000 0.418 988 A N 1.018 123.714 122.820 -0.206 0.000 1.855 988 A HA -0.186 4.132 4.320 -0.002 0.000 0.215 988 A C 2.495 179.948 177.584 -0.219 0.000 1.191 988 A CA 1.295 53.159 52.037 -0.289 0.000 0.613 988 A CB -0.572 18.406 19.000 -0.036 0.000 0.829 988 A HN 0.304 nan 8.150 nan 0.000 0.442 989 R N -0.367 120.017 120.500 -0.194 0.000 2.083 989 R HA -0.131 4.208 4.340 -0.002 0.000 0.237 989 R C 1.637 177.731 176.300 -0.343 0.000 1.137 989 R CA 1.681 57.638 56.100 -0.238 0.000 0.951 989 R CB -0.375 29.781 30.300 -0.240 0.000 0.851 989 R HN 0.560 nan 8.270 nan 0.000 0.434 990 N N 0.094 118.488 118.700 -0.509 0.000 2.308 990 N HA -0.045 4.693 4.740 -0.002 0.000 0.224 990 N C 0.270 175.483 175.510 -0.496 0.000 1.024 990 N CA 0.749 53.417 53.050 -0.637 0.000 1.118 990 N CB -0.848 36.990 38.487 -1.081 0.000 1.399 990 N HN 0.061 nan 8.380 nan 0.000 0.594 991 Y N 1.281 121.448 120.300 -0.223 0.000 2.823 991 Y HA 0.354 4.902 4.550 -0.002 0.000 0.345 991 Y C -0.087 175.671 175.900 -0.236 0.000 1.154 991 Y CA -0.111 57.887 58.100 -0.170 0.000 2.010 991 Y CB -0.813 37.582 38.460 -0.108 0.000 2.099 991 Y HN 0.112 nan 8.280 nan 0.000 0.409 992 L N 0.412 121.551 121.223 -0.141 0.000 3.077 992 L HA 0.230 4.568 4.340 -0.002 0.000 0.254 992 L C -0.810 175.973 176.870 -0.145 0.000 0.959 992 L CA -0.775 53.955 54.840 -0.184 0.000 1.030 992 L CB 1.295 43.160 42.059 -0.324 0.000 1.679 992 L HN 0.114 nan 8.230 nan 0.000 0.468 993 E N 3.513 123.650 120.200 -0.105 0.000 3.259 993 E HA 0.374 4.722 4.350 -0.002 0.000 0.307 993 E C 0.300 176.857 176.600 -0.072 0.000 1.375 993 E CA 0.662 57.016 56.400 -0.077 0.000 1.472 993 E CB -0.267 29.403 29.700 -0.050 0.000 1.174 993 E HN 0.727 nan 8.360 nan 0.000 0.473 994 G N 0.000 108.743 108.800 -0.095 0.000 5.446 994 G HA2 0.000 3.958 3.960 -0.002 0.000 0.244 994 G HA3 0.000 3.958 3.960 -0.002 0.000 0.244 994 G CA 0.000 45.054 45.100 -0.076 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925