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 2c88_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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.579 32.600 -0.036 0.000 1.302 2 E N 0.460 120.643 120.200 -0.028 0.000 2.422 2 E HA 0.711 5.059 4.350 -0.003 0.000 0.280 2 E C -1.343 175.199 176.600 -0.097 0.000 1.091 2 E CA -1.024 55.242 56.400 -0.223 0.000 0.849 2 E CB 1.660 31.003 29.700 -0.594 0.000 1.353 2 E HN 0.705 nan 8.360 nan 0.000 0.449 3 A N 0.943 123.681 122.820 -0.137 0.000 3.019 3 A HA 0.565 4.883 4.320 -0.003 0.000 0.262 3 A C 0.490 177.995 177.584 -0.132 0.000 1.509 3 A CA 0.257 52.255 52.037 -0.066 0.000 1.159 3 A CB -1.131 17.817 19.000 -0.087 0.000 1.042 3 A HN 0.629 nan 8.150 nan 0.000 0.641 4 A N 0.848 123.636 122.820 -0.054 0.000 2.492 4 A HA 0.516 4.834 4.320 -0.003 0.000 0.254 4 A C 0.693 178.306 177.584 0.048 0.000 1.091 4 A CA 0.811 52.821 52.037 -0.045 0.000 0.768 4 A CB -0.307 18.707 19.000 0.024 0.000 1.028 4 A HN 1.912 nan 8.150 nan 0.000 0.498 5 H N -1.135 117.926 119.070 -0.013 0.000 1.819 5 H HA -0.091 4.463 4.556 -0.003 0.000 0.115 5 H C 0.723 176.050 175.328 -0.000 0.000 0.636 5 H CA 0.879 56.923 56.048 -0.007 0.000 0.417 5 H CB -1.196 28.569 29.762 0.004 0.000 0.314 5 H HN 0.374 nan 8.280 nan 0.000 0.213 6 S N 0.164 115.540 115.700 -0.539 0.000 2.499 6 S HA 0.243 4.711 4.470 -0.003 0.000 0.225 6 S C 0.715 175.206 174.600 -0.181 0.000 1.050 6 S CA -0.167 57.805 58.200 -0.380 0.000 0.928 6 S CB 0.312 63.194 63.200 -0.530 0.000 0.803 6 S HN 0.224 nan 8.310 nan 0.000 0.506 7 K N 2.759 123.057 120.400 -0.169 0.000 2.126 7 K HA 0.320 4.638 4.320 -0.003 0.000 0.257 7 K C 0.543 177.118 176.600 -0.042 0.000 1.007 7 K CA -0.068 56.164 56.287 -0.092 0.000 0.928 7 K CB 1.048 33.493 32.500 -0.092 0.000 1.013 7 K HN 0.380 nan 8.250 nan 0.000 0.473 8 S N -0.237 115.451 115.700 -0.021 0.000 2.641 8 S HA 0.062 4.530 4.470 -0.003 0.000 0.261 8 S C 1.333 175.940 174.600 0.012 0.000 1.257 8 S CA -0.229 57.968 58.200 -0.004 0.000 0.983 8 S CB 0.762 63.960 63.200 -0.003 0.000 0.990 8 S HN 0.515 nan 8.310 nan 0.000 0.572 9 T N 0.980 115.543 114.554 0.015 0.000 2.788 9 T HA -0.055 4.294 4.350 -0.003 0.000 0.268 9 T C 1.506 176.228 174.700 0.037 0.000 1.044 9 T CA 1.926 64.040 62.100 0.024 0.000 1.139 9 T CB -0.593 68.284 68.868 0.015 0.000 0.867 9 T HN 0.736 nan 8.240 nan 0.000 0.454 10 E N 0.942 121.160 120.200 0.030 0.000 2.112 10 E HA -0.016 4.333 4.350 -0.003 0.000 0.190 10 E C 2.225 178.859 176.600 0.056 0.000 0.979 10 E CA 0.761 57.184 56.400 0.038 0.000 0.814 10 E CB -0.114 29.601 29.700 0.025 0.000 0.762 10 E HN 0.546 nan 8.360 nan 0.000 0.460 11 E N -0.069 120.159 120.200 0.046 0.000 2.085 11 E HA -0.194 4.154 4.350 -0.003 0.000 0.194 11 E C 1.886 178.549 176.600 0.106 0.000 0.994 11 E CA 1.250 57.684 56.400 0.056 0.000 0.801 11 E CB -0.172 29.539 29.700 0.019 0.000 0.743 11 E HN 0.279 nan 8.360 nan 0.000 0.453 12 C N 0.435 119.803 119.300 0.114 0.000 2.457 12 C HA -0.013 4.445 4.460 -0.003 0.000 0.278 12 C C 2.565 177.725 174.990 0.284 0.000 1.309 12 C CA 0.133 59.277 59.018 0.210 0.000 1.735 12 C CB -0.721 27.117 27.740 0.164 0.000 1.992 12 C HN 0.413 nan 8.230 nan 0.000 0.493 13 L N 0.695 122.024 121.223 0.177 0.000 2.131 13 L HA -0.146 4.192 4.340 -0.003 0.000 0.210 13 L C 2.763 179.734 176.870 0.170 0.000 1.092 13 L CA 1.467 56.404 54.840 0.162 0.000 0.759 13 L CB -0.506 41.608 42.059 0.093 0.000 0.903 13 L HN 0.372 nan 8.230 nan 0.000 0.435 14 A N -0.805 122.101 122.820 0.144 0.000 1.840 14 A HA -0.275 4.043 4.320 -0.003 0.000 0.214 14 A C 2.071 179.725 177.584 0.116 0.000 1.198 14 A CA 1.268 53.370 52.037 0.109 0.000 0.608 14 A CB -1.044 18.005 19.000 0.081 0.000 0.839 14 A HN 0.396 nan 8.150 nan 0.000 0.443 15 Y N -0.116 120.197 120.300 0.021 0.000 2.003 15 Y HA -0.355 4.193 4.550 -0.003 0.000 0.261 15 Y C 1.911 177.730 175.900 -0.136 0.000 1.211 15 Y CA 2.563 60.608 58.100 -0.091 0.000 1.098 15 Y CB -0.873 37.486 38.460 -0.168 0.000 0.925 15 Y HN 0.281 nan 8.280 nan 0.000 0.498 16 F N 0.136 120.086 119.950 -0.001 0.000 2.661 16 F HA 0.182 4.707 4.527 -0.003 0.000 0.298 16 F C 1.804 177.630 175.800 0.044 0.000 1.137 16 F CA 0.957 58.949 58.000 -0.014 0.000 1.454 16 F CB -0.634 38.453 39.000 0.146 0.000 1.103 16 F HN 0.250 nan 8.300 nan 0.000 0.577 17 G N 1.764 110.657 108.800 0.156 0.000 2.367 17 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.295 17 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.295 17 G C -0.492 174.487 174.900 0.131 0.000 1.019 17 G CA 0.362 45.526 45.100 0.105 0.000 1.224 17 G HN 0.393 nan 8.290 nan 0.000 0.510 18 V N 0.288 120.289 119.914 0.145 0.000 3.040 18 V HA 0.900 5.019 4.120 -0.003 0.000 0.312 18 V C 0.362 176.500 176.094 0.073 0.000 1.115 18 V CA -0.014 62.352 62.300 0.110 0.000 0.998 18 V CB 2.454 34.357 31.823 0.133 0.000 1.042 18 V HN 1.214 nan 8.190 nan 0.000 0.433 19 S N 2.800 118.530 115.700 0.049 0.000 2.475 19 S HA 0.378 4.846 4.470 -0.003 0.000 0.281 19 S C 0.608 175.220 174.600 0.020 0.000 1.198 19 S CA -0.276 57.941 58.200 0.029 0.000 1.063 19 S CB 1.415 64.627 63.200 0.020 0.000 0.972 19 S HN 0.893 nan 8.310 nan 0.000 0.486 20 E N 2.176 122.380 120.200 0.006 0.000 2.204 20 E HA -0.145 4.204 4.350 -0.003 0.000 0.194 20 E C 1.439 178.005 176.600 -0.057 0.000 0.989 20 E CA 1.466 57.856 56.400 -0.016 0.000 0.824 20 E CB -0.010 29.677 29.700 -0.022 0.000 0.756 20 E HN 0.910 nan 8.360 nan 0.000 0.477 21 T N -3.623 110.901 114.554 -0.050 0.000 3.060 21 T HA 0.121 4.469 4.350 -0.003 0.000 0.249 21 T C 1.460 176.135 174.700 -0.042 0.000 1.079 21 T CA 0.507 62.558 62.100 -0.082 0.000 1.013 21 T CB 0.568 69.398 68.868 -0.064 0.000 0.975 21 T HN -0.074 nan 8.240 nan 0.000 0.518 22 T N 0.416 114.970 114.554 -0.001 0.000 3.085 22 T HA 0.583 4.931 4.350 -0.003 0.000 0.241 22 T C 1.077 175.816 174.700 0.064 0.000 0.988 22 T CA 0.417 62.535 62.100 0.031 0.000 1.117 22 T CB 0.011 68.892 68.868 0.022 0.000 0.978 22 T HN 0.887 nan 8.240 nan 0.000 0.454 23 G N 1.357 110.192 108.800 0.059 0.000 2.655 23 G HA2 0.045 4.003 3.960 -0.003 0.000 0.680 23 G HA3 0.045 4.003 3.960 -0.003 0.000 0.680 23 G C -1.273 173.650 174.900 0.039 0.000 1.302 23 G CA -1.108 44.034 45.100 0.070 0.000 0.872 23 G HN 0.327 nan 8.290 nan 0.000 0.540 24 L N 1.117 122.354 121.223 0.024 0.000 2.436 24 L HA 0.583 4.921 4.340 -0.003 0.000 0.265 24 L C 1.748 178.604 176.870 -0.024 0.000 1.168 24 L CA 0.513 55.343 54.840 -0.017 0.000 0.815 24 L CB 0.877 42.899 42.059 -0.062 0.000 1.109 24 L HN 1.070 nan 8.230 nan 0.000 0.462 25 T N -0.499 114.029 114.554 -0.044 0.000 2.909 25 T HA 0.331 4.679 4.350 -0.003 0.000 0.289 25 T C -1.922 172.751 174.700 -0.045 0.000 1.005 25 T CA -1.789 60.292 62.100 -0.032 0.000 1.084 25 T CB 1.030 69.882 68.868 -0.026 0.000 0.975 25 T HN 0.413 nan 8.240 nan 0.000 0.509 26 P HA -0.148 nan 4.420 nan 0.000 0.219 26 P C 0.842 178.124 177.300 -0.031 0.000 1.145 26 P CA 1.138 64.225 63.100 -0.022 0.000 0.813 26 P CB 0.086 31.779 31.700 -0.011 0.000 0.771 27 D N -1.316 119.061 120.400 -0.040 0.000 2.149 27 D HA -0.116 4.522 4.640 -0.003 0.000 0.206 27 D C 1.958 178.215 176.300 -0.072 0.000 0.967 27 D CA 1.035 55.010 54.000 -0.041 0.000 0.848 27 D CB -0.327 40.453 40.800 -0.033 0.000 0.998 27 D HN 0.108 nan 8.370 nan 0.000 0.474 28 Q N -0.211 119.514 119.800 -0.125 0.000 2.135 28 Q HA -0.119 4.219 4.340 -0.003 0.000 0.204 28 Q C 2.282 178.082 176.000 -0.333 0.000 0.981 28 Q CA 1.044 56.676 55.803 -0.286 0.000 0.856 28 Q CB 0.050 28.578 28.738 -0.350 0.000 0.902 28 Q HN 0.216 nan 8.270 nan 0.000 0.425 29 V N 1.362 121.179 119.914 -0.163 0.000 2.216 29 V HA -0.316 3.803 4.120 -0.003 0.000 0.243 29 V C 2.061 178.160 176.094 0.007 0.000 1.044 29 V CA 2.071 64.339 62.300 -0.053 0.000 0.995 29 V CB -0.541 31.275 31.823 -0.011 0.000 0.633 29 V HN 0.326 nan 8.190 nan 0.000 0.446 30 K N -0.385 120.014 120.400 -0.001 0.000 2.077 30 K HA -0.266 4.053 4.320 -0.003 0.000 0.213 30 K C 2.302 178.913 176.600 0.017 0.000 1.051 30 K CA 1.956 58.250 56.287 0.011 0.000 0.929 30 K CB -0.343 32.158 32.500 0.001 0.000 0.715 30 K HN 0.384 nan 8.250 nan 0.000 0.451 31 R N 0.026 120.532 120.500 0.011 0.000 2.109 31 R HA -0.122 4.216 4.340 -0.003 0.000 0.227 31 R C 2.290 178.654 176.300 0.108 0.000 1.132 31 R CA 1.859 57.981 56.100 0.037 0.000 0.907 31 R CB -0.796 29.528 30.300 0.041 0.000 0.825 31 R HN 0.459 nan 8.270 nan 0.000 0.432 32 H N 0.273 119.364 119.070 0.035 0.000 2.272 32 H HA -0.243 4.311 4.556 -0.003 0.000 0.289 32 H C 2.229 177.609 175.328 0.088 0.000 1.100 32 H CA 1.541 57.659 56.048 0.118 0.000 1.209 32 H CB -0.223 29.700 29.762 0.268 0.000 1.348 32 H HN 0.069 nan 8.280 nan 0.000 0.481 33 L N 1.379 122.735 121.223 0.223 0.000 2.034 33 L HA -0.254 4.084 4.340 -0.003 0.000 0.217 33 L C 2.354 179.212 176.870 -0.019 0.000 1.077 33 L CA 2.068 56.964 54.840 0.093 0.000 0.769 33 L CB -0.740 41.353 42.059 0.056 0.000 0.890 33 L HN 0.246 nan 8.230 nan 0.000 0.435 34 E N -0.091 120.093 120.200 -0.027 0.000 2.017 34 E HA -0.259 4.089 4.350 -0.003 0.000 0.193 34 E C 2.350 178.889 176.600 -0.101 0.000 0.997 34 E CA 1.948 58.306 56.400 -0.070 0.000 0.804 34 E CB -0.360 29.310 29.700 -0.051 0.000 0.757 34 E HN 0.470 nan 8.360 nan 0.000 0.448 35 K N -1.254 119.048 120.400 -0.163 0.000 2.057 35 K HA -0.170 4.148 4.320 -0.003 0.000 0.207 35 K C 1.629 178.019 176.600 -0.350 0.000 1.049 35 K CA 1.539 57.632 56.287 -0.324 0.000 0.931 35 K CB -0.173 31.993 32.500 -0.555 0.000 0.714 35 K HN 0.228 nan 8.250 nan 0.000 0.440 36 Y N -0.434 119.879 120.300 0.022 0.000 2.497 36 Y HA 0.235 4.783 4.550 -0.003 0.000 0.265 36 Y C 1.243 177.147 175.900 0.006 0.000 1.111 36 Y CA 0.363 58.479 58.100 0.028 0.000 1.288 36 Y CB 0.377 38.870 38.460 0.055 0.000 1.082 36 Y HN 0.338 nan 8.280 nan 0.000 0.536 37 G N -0.004 108.832 108.800 0.060 0.000 2.693 37 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.226 37 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.226 37 G C -0.716 174.159 174.900 -0.043 0.000 1.354 37 G CA -0.566 44.499 45.100 -0.059 0.000 0.873 37 G HN 0.280 nan 8.290 nan 0.000 0.562 38 H N 0.245 119.366 119.070 0.085 0.000 2.505 38 H HA 0.379 4.933 4.556 -0.003 0.000 0.355 38 H C 0.800 176.169 175.328 0.069 0.000 1.179 38 H CA -0.101 55.990 56.048 0.072 0.000 1.343 38 H CB 1.092 30.885 29.762 0.051 0.000 1.501 38 H HN 0.492 nan 8.280 nan 0.000 0.569 39 N N 1.971 120.796 118.700 0.208 0.000 3.124 39 N HA 0.006 4.745 4.740 -0.003 0.000 0.284 39 N C -0.744 174.821 175.510 0.091 0.000 1.209 39 N CA -0.184 52.938 53.050 0.120 0.000 1.149 39 N CB -0.242 38.298 38.487 0.088 0.000 1.434 39 N HN 0.686 nan 8.380 nan 0.000 0.529 40 E N 0.323 120.579 120.200 0.094 0.000 2.439 40 E HA 0.314 4.663 4.350 -0.003 0.000 0.279 40 E C -1.331 175.309 176.600 0.067 0.000 1.077 40 E CA -0.906 55.536 56.400 0.069 0.000 0.849 40 E CB 0.666 30.398 29.700 0.054 0.000 1.408 40 E HN 0.025 nan 8.360 nan 0.000 0.457 41 L N 1.035 122.290 121.223 0.054 0.000 2.307 41 L HA 0.476 4.814 4.340 -0.003 0.000 0.282 41 L C -2.199 174.697 176.870 0.042 0.000 1.051 41 L CA -2.131 52.738 54.840 0.049 0.000 0.804 41 L CB 0.824 42.910 42.059 0.045 0.000 1.197 41 L HN 0.420 nan 8.230 nan 0.000 0.431 42 P HA -0.101 nan 4.420 nan 0.000 0.267 42 P C -0.340 176.976 177.300 0.027 0.000 1.175 42 P CA 0.157 63.278 63.100 0.036 0.000 0.763 42 P CB 0.446 32.165 31.700 0.032 0.000 0.795 43 A N 2.875 125.709 122.820 0.023 0.000 2.346 43 A HA 0.133 4.451 4.320 -0.003 0.000 0.255 43 A C 0.296 177.887 177.584 0.011 0.000 1.113 43 A CA -0.210 51.836 52.037 0.015 0.000 0.798 43 A CB -0.060 18.948 19.000 0.013 0.000 1.073 43 A HN 0.602 nan 8.150 nan 0.000 0.502 44 E N 0.047 120.250 120.200 0.005 0.000 2.318 44 E HA 0.420 4.768 4.350 -0.003 0.000 0.265 44 E C -0.850 175.751 176.600 0.003 0.000 1.069 44 E CA -0.392 56.010 56.400 0.002 0.000 0.893 44 E CB 0.970 30.667 29.700 -0.005 0.000 1.076 44 E HN 0.594 nan 8.360 nan 0.000 0.414 45 E N 0.395 120.597 120.200 0.003 0.000 2.191 45 E HA 0.443 4.791 4.350 -0.003 0.000 0.263 45 E C -1.078 175.523 176.600 0.002 0.000 0.881 45 E CA -0.663 55.740 56.400 0.005 0.000 0.757 45 E CB 1.920 31.625 29.700 0.007 0.000 1.147 45 E HN 0.618 nan 8.360 nan 0.000 0.414 46 G N 3.460 112.261 108.800 0.003 0.000 2.753 46 G HA2 0.171 4.129 3.960 -0.003 0.000 0.282 46 G HA3 0.171 4.129 3.960 -0.003 0.000 0.282 46 G C -0.544 174.361 174.900 0.009 0.000 1.512 46 G CA -0.702 44.399 45.100 0.000 0.000 1.076 46 G HN 0.136 nan 8.290 nan 0.000 0.545 47 K N 1.780 122.187 120.400 0.010 0.000 2.530 47 K HA 0.045 4.363 4.320 -0.003 0.000 0.280 47 K C 1.378 177.997 176.600 0.032 0.000 1.004 47 K CA 0.109 56.409 56.287 0.021 0.000 1.071 47 K CB 0.620 33.124 32.500 0.006 0.000 0.876 47 K HN 0.732 nan 8.250 nan 0.000 0.487 48 S N 2.402 118.139 115.700 0.062 0.000 2.606 48 S HA 0.090 4.558 4.470 -0.003 0.000 0.257 48 S C 1.814 176.468 174.600 0.090 0.000 1.327 48 S CA -0.633 57.614 58.200 0.080 0.000 0.984 48 S CB 0.294 63.565 63.200 0.119 0.000 0.941 48 S HN 0.488 nan 8.310 nan 0.000 0.576 49 L N -0.521 120.762 121.223 0.099 0.000 2.079 49 L HA -0.125 4.213 4.340 -0.003 0.000 0.210 49 L C 2.448 179.399 176.870 0.134 0.000 1.081 49 L CA 1.796 56.695 54.840 0.098 0.000 0.752 49 L CB -0.797 41.323 42.059 0.101 0.000 0.896 49 L HN 0.788 nan 8.230 nan 0.000 0.433 50 W N 2.226 123.511 121.300 -0.025 0.000 2.332 50 W HA -0.243 4.415 4.660 -0.003 0.000 0.321 50 W C 2.231 178.731 176.519 -0.031 0.000 1.219 50 W CA 1.969 59.291 57.345 -0.039 0.000 1.277 50 W CB -0.086 29.353 29.460 -0.035 0.000 1.161 50 W HN 0.218 nan 8.180 nan 0.000 0.476 51 E N 0.487 120.683 120.200 -0.007 0.000 2.160 51 E HA -0.246 4.102 4.350 -0.003 0.000 0.195 51 E C 2.199 178.720 176.600 -0.131 0.000 0.991 51 E CA 1.529 57.853 56.400 -0.126 0.000 0.810 51 E CB -0.476 29.227 29.700 0.006 0.000 0.742 51 E HN 0.384 nan 8.360 nan 0.000 0.466 52 L N 0.226 121.412 121.223 -0.061 0.000 1.950 52 L HA -0.187 4.151 4.340 -0.003 0.000 0.210 52 L C 2.468 179.300 176.870 -0.064 0.000 1.079 52 L CA 0.872 55.689 54.840 -0.037 0.000 0.754 52 L CB -0.692 41.371 42.059 0.007 0.000 0.889 52 L HN 0.013 nan 8.230 nan 0.000 0.433 53 V N 0.342 120.211 119.914 -0.074 0.000 2.428 53 V HA -0.354 3.764 4.120 -0.003 0.000 0.255 53 V C 2.299 178.276 176.094 -0.195 0.000 1.080 53 V CA 1.900 64.140 62.300 -0.099 0.000 1.083 53 V CB -0.609 31.102 31.823 -0.186 0.000 0.665 53 V HN 0.362 nan 8.190 nan 0.000 0.461 54 I N -0.322 120.025 120.570 -0.372 0.000 2.315 54 I HA -0.219 3.949 4.170 -0.003 0.000 0.248 54 I C 2.475 178.508 176.117 -0.140 0.000 1.117 54 I CA 1.638 62.694 61.300 -0.406 0.000 1.404 54 I CB -0.242 37.397 38.000 -0.602 0.000 1.071 54 I HN 0.439 nan 8.210 nan 0.000 0.419 55 E N -0.037 120.111 120.200 -0.087 0.000 2.230 55 E HA -0.149 4.199 4.350 -0.003 0.000 0.192 55 E C 1.962 178.578 176.600 0.026 0.000 0.987 55 E CA 0.347 56.729 56.400 -0.029 0.000 0.841 55 E CB 0.067 29.747 29.700 -0.033 0.000 0.783 55 E HN 0.422 nan 8.360 nan 0.000 0.481 56 Q N -0.359 119.493 119.800 0.087 0.000 2.364 56 Q HA -0.072 4.266 4.340 -0.003 0.000 0.207 56 Q C 0.476 176.560 176.000 0.140 0.000 0.970 56 Q CA 0.928 56.814 55.803 0.139 0.000 0.888 56 Q CB 0.078 28.964 28.738 0.247 0.000 0.951 56 Q HN 0.263 nan 8.270 nan 0.000 0.469 57 F N -0.499 119.388 119.950 -0.106 0.000 2.908 57 F HA 0.245 4.770 4.527 -0.003 0.000 0.328 57 F C 1.372 177.113 175.800 -0.099 0.000 1.211 57 F CA -0.520 57.419 58.000 -0.102 0.000 1.291 57 F CB 0.494 39.420 39.000 -0.122 0.000 0.962 57 F HN 0.018 nan 8.300 nan 0.000 0.505 58 E N -0.161 120.055 120.200 0.027 0.000 2.465 58 E HA -0.006 4.342 4.350 -0.003 0.000 0.209 58 E C -0.018 176.563 176.600 -0.032 0.000 0.951 58 E CA -0.014 56.381 56.400 -0.008 0.000 0.997 58 E CB 0.381 30.071 29.700 -0.017 0.000 1.025 58 E HN 0.342 nan 8.360 nan 0.000 0.500 59 D N 0.453 120.821 120.400 -0.053 0.000 2.425 59 D HA -0.071 4.568 4.640 -0.003 0.000 0.247 59 D C 1.214 177.472 176.300 -0.070 0.000 1.147 59 D CA -0.166 53.798 54.000 -0.060 0.000 0.879 59 D CB 0.980 41.735 40.800 -0.075 0.000 1.179 59 D HN 0.026 nan 8.370 nan 0.000 0.456 60 L N 4.605 125.792 121.223 -0.061 0.000 2.051 60 L HA -0.201 4.138 4.340 -0.003 0.000 0.214 60 L C 1.711 178.528 176.870 -0.088 0.000 1.076 60 L CA 1.758 56.557 54.840 -0.069 0.000 0.758 60 L CB -0.453 41.564 42.059 -0.071 0.000 0.890 60 L HN 0.702 nan 8.230 nan 0.000 0.433 61 L N -2.041 119.126 121.223 -0.094 0.000 1.961 61 L HA -0.226 4.113 4.340 -0.003 0.000 0.210 61 L C 2.553 179.349 176.870 -0.124 0.000 1.072 61 L CA 1.605 56.382 54.840 -0.104 0.000 0.749 61 L CB -1.151 40.858 42.059 -0.083 0.000 0.889 61 L HN 0.199 nan 8.230 nan 0.000 0.432 62 V N 0.117 119.938 119.914 -0.154 0.000 2.527 62 V HA -0.332 3.786 4.120 -0.003 0.000 0.255 62 V C 2.770 178.733 176.094 -0.219 0.000 1.081 62 V CA 1.815 63.970 62.300 -0.242 0.000 1.092 62 V CB -0.456 31.151 31.823 -0.360 0.000 0.673 62 V HN 0.398 nan 8.190 nan 0.000 0.470 63 R N -0.533 119.884 120.500 -0.139 0.000 2.061 63 R HA -0.033 4.305 4.340 -0.003 0.000 0.230 63 R C 2.301 178.554 176.300 -0.079 0.000 1.140 63 R CA 2.031 58.083 56.100 -0.081 0.000 0.940 63 R CB -0.526 29.743 30.300 -0.051 0.000 0.839 63 R HN 0.488 nan 8.270 nan 0.000 0.429 64 I N 1.394 121.912 120.570 -0.086 0.000 2.229 64 I HA -0.358 3.810 4.170 -0.003 0.000 0.250 64 I C 2.345 178.411 176.117 -0.086 0.000 1.096 64 I CA 1.443 62.692 61.300 -0.085 0.000 1.358 64 I CB -0.268 37.676 38.000 -0.094 0.000 1.047 64 I HN 0.251 nan 8.210 nan 0.000 0.422 65 L N -0.488 120.675 121.223 -0.101 0.000 2.056 65 L HA -0.221 4.117 4.340 -0.003 0.000 0.207 65 L C 2.538 179.360 176.870 -0.081 0.000 1.078 65 L CA 0.882 55.663 54.840 -0.098 0.000 0.749 65 L CB -0.419 41.564 42.059 -0.127 0.000 0.901 65 L HN 0.271 nan 8.230 nan 0.000 0.433 66 L N -0.185 120.993 121.223 -0.076 0.000 2.046 66 L HA -0.229 4.109 4.340 -0.003 0.000 0.208 66 L C 2.327 179.185 176.870 -0.018 0.000 1.077 66 L CA 1.563 56.391 54.840 -0.020 0.000 0.747 66 L CB -0.427 41.660 42.059 0.047 0.000 0.896 66 L HN 0.135 nan 8.230 nan 0.000 0.432 67 L N -0.420 120.781 121.223 -0.037 0.000 2.017 67 L HA -0.071 4.267 4.340 -0.003 0.000 0.208 67 L C 2.505 179.333 176.870 -0.069 0.000 1.073 67 L CA 2.063 56.871 54.840 -0.053 0.000 0.745 67 L CB -1.079 40.940 42.059 -0.067 0.000 0.894 67 L HN 0.254 nan 8.230 nan 0.000 0.432 68 A N -0.193 122.584 122.820 -0.072 0.000 1.865 68 A HA -0.177 4.142 4.320 -0.003 0.000 0.217 68 A C 2.483 180.038 177.584 -0.048 0.000 1.191 68 A CA 2.183 54.177 52.037 -0.072 0.000 0.623 68 A CB -1.408 17.553 19.000 -0.065 0.000 0.826 68 A HN 0.604 nan 8.150 nan 0.000 0.444 69 A N -1.178 121.620 122.820 -0.036 0.000 1.948 69 A HA -0.212 4.106 4.320 -0.003 0.000 0.220 69 A C 2.331 179.927 177.584 0.020 0.000 1.177 69 A CA 1.822 53.849 52.037 -0.017 0.000 0.636 69 A CB -1.323 17.657 19.000 -0.033 0.000 0.815 69 A HN 0.617 nan 8.150 nan 0.000 0.449 70 C N -0.703 118.606 119.300 0.014 0.000 2.455 70 C HA -0.096 4.362 4.460 -0.003 0.000 0.281 70 C C 2.553 177.560 174.990 0.028 0.000 1.237 70 C CA 0.961 60.015 59.018 0.060 0.000 1.726 70 C CB -1.324 26.426 27.740 0.018 0.000 2.068 70 C HN 0.658 nan 8.230 nan 0.000 0.466 71 I N 0.844 121.375 120.570 -0.065 0.000 2.113 71 I HA -0.314 3.854 4.170 -0.003 0.000 0.242 71 I C 2.701 178.785 176.117 -0.055 0.000 1.057 71 I CA 2.261 63.484 61.300 -0.128 0.000 1.314 71 I CB -0.905 36.965 38.000 -0.216 0.000 1.022 71 I HN 0.409 nan 8.210 nan 0.000 0.408 72 S N 0.749 116.445 115.700 -0.006 0.000 2.359 72 S HA -0.259 4.209 4.470 -0.003 0.000 0.224 72 S C 2.092 176.737 174.600 0.076 0.000 1.035 72 S CA 1.593 59.816 58.200 0.040 0.000 1.018 72 S CB -0.555 62.673 63.200 0.047 0.000 0.876 72 S HN 0.443 nan 8.310 nan 0.000 0.448 73 F N 2.406 122.299 119.950 -0.095 0.000 2.161 73 F HA -0.062 4.463 4.527 -0.003 0.000 0.300 73 F C 2.087 177.850 175.800 -0.062 0.000 1.089 73 F CA 1.404 59.305 58.000 -0.165 0.000 1.282 73 F CB -0.926 37.956 39.000 -0.196 0.000 1.010 73 F HN 0.108 nan 8.300 nan 0.000 0.485 74 V N 0.692 120.449 119.914 -0.262 0.000 2.358 74 V HA -0.291 3.827 4.120 -0.003 0.000 0.246 74 V C 2.573 178.520 176.094 -0.245 0.000 1.047 74 V CA 1.881 63.962 62.300 -0.365 0.000 1.035 74 V CB -0.727 30.916 31.823 -0.300 0.000 0.658 74 V HN 0.364 nan 8.190 nan 0.000 0.452 75 L N -0.086 121.072 121.223 -0.107 0.000 2.201 75 L HA -0.090 4.249 4.340 -0.003 0.000 0.212 75 L C 2.645 179.622 176.870 0.179 0.000 1.105 75 L CA 1.176 56.026 54.840 0.015 0.000 0.775 75 L CB -0.712 41.386 42.059 0.065 0.000 0.913 75 L HN 0.364 nan 8.230 nan 0.000 0.440 76 A N -0.501 122.458 122.820 0.232 0.000 1.872 76 A HA -0.251 4.067 4.320 -0.003 0.000 0.214 76 A C 1.983 179.844 177.584 0.461 0.000 1.187 76 A CA 1.125 53.401 52.037 0.398 0.000 0.614 76 A CB -0.971 18.415 19.000 0.644 0.000 0.826 76 A HN 0.592 nan 8.150 nan 0.000 0.442 77 W N -0.632 120.856 121.300 0.314 0.000 2.421 77 W HA -0.099 4.559 4.660 -0.003 0.000 0.270 77 W C 1.200 177.911 176.519 0.321 0.000 1.233 77 W CA 1.133 58.642 57.345 0.274 0.000 1.226 77 W CB -0.182 29.363 29.460 0.143 0.000 1.121 77 W HN 0.287 nan 8.180 nan 0.000 0.579 78 F N 1.179 121.223 119.950 0.157 0.000 2.502 78 F HA -0.036 4.489 4.527 -0.003 0.000 0.298 78 F C 1.705 177.443 175.800 -0.103 0.000 1.111 78 F CA 0.661 58.674 58.000 0.021 0.000 1.445 78 F CB -0.935 38.138 39.000 0.122 0.000 1.081 78 F HN -0.229 nan 8.300 nan 0.000 0.558 79 E N -0.006 120.228 120.200 0.058 0.000 2.620 79 E HA 0.067 4.415 4.350 -0.003 0.000 0.255 79 E C 0.517 177.023 176.600 -0.157 0.000 1.346 79 E CA 0.030 56.409 56.400 -0.035 0.000 1.013 79 E CB 0.529 30.231 29.700 0.003 0.000 1.131 79 E HN -0.033 nan 8.360 nan 0.000 0.608 80 E N -0.375 119.743 120.200 -0.136 0.000 3.303 80 E HA 0.145 4.493 4.350 -0.003 0.000 0.142 80 E C -0.883 175.649 176.600 -0.114 0.000 0.921 80 E CA -0.053 56.248 56.400 -0.166 0.000 1.460 80 E CB 0.219 29.807 29.700 -0.186 0.000 1.036 80 E HN 0.517 nan 8.360 nan 0.000 0.407 81 G N 0.786 109.534 108.800 -0.087 0.000 2.371 81 G HA2 0.325 4.283 3.960 -0.003 0.000 0.326 81 G HA3 0.325 4.283 3.960 -0.003 0.000 0.326 81 G C 0.659 175.519 174.900 -0.068 0.000 1.127 81 G CA -0.331 44.730 45.100 -0.065 0.000 0.885 81 G HN 0.058 nan 8.290 nan 0.000 0.477 82 E N 0.824 120.988 120.200 -0.060 0.000 2.153 82 E HA -0.164 4.185 4.350 -0.003 0.000 0.194 82 E C 2.050 178.619 176.600 -0.051 0.000 0.988 82 E CA 1.240 57.604 56.400 -0.060 0.000 0.811 82 E CB 0.229 29.900 29.700 -0.049 0.000 0.746 82 E HN 0.744 nan 8.360 nan 0.000 0.466 83 E N 1.132 121.309 120.200 -0.039 0.000 2.347 83 E HA -0.115 4.233 4.350 -0.003 0.000 0.196 83 E C 1.336 177.920 176.600 -0.027 0.000 1.008 83 E CA 1.217 57.600 56.400 -0.029 0.000 0.852 83 E CB -0.547 29.141 29.700 -0.020 0.000 0.783 83 E HN 0.183 nan 8.360 nan 0.000 0.505 84 T N -0.569 113.966 114.554 -0.031 0.000 3.418 84 T HA 0.224 4.572 4.350 -0.003 0.000 0.239 84 T C 1.019 175.697 174.700 -0.036 0.000 0.905 84 T CA -0.370 61.718 62.100 -0.019 0.000 0.929 84 T CB -0.537 68.325 68.868 -0.010 0.000 1.121 84 T HN 0.029 nan 8.240 nan 0.000 0.608 85 I N 2.087 122.628 120.570 -0.047 0.000 3.684 85 I HA 0.110 4.278 4.170 -0.003 0.000 0.304 85 I C 2.001 178.096 176.117 -0.037 0.000 1.278 85 I CA 0.361 61.617 61.300 -0.073 0.000 1.272 85 I CB -0.252 37.704 38.000 -0.073 0.000 1.029 85 I HN 0.549 nan 8.210 nan 0.000 0.458 86 T N -2.935 111.619 114.554 -0.001 0.000 3.037 86 T HA 0.240 4.589 4.350 -0.003 0.000 0.252 86 T C 2.019 176.774 174.700 0.091 0.000 1.073 86 T CA 0.445 62.559 62.100 0.024 0.000 1.091 86 T CB -0.346 68.513 68.868 -0.014 0.000 0.935 86 T HN 0.154 nan 8.240 nan 0.000 0.488 87 A N 1.366 124.259 122.820 0.121 0.000 2.054 87 A HA -0.045 4.273 4.320 -0.003 0.000 0.223 87 A C 1.450 179.279 177.584 0.408 0.000 1.169 87 A CA 1.202 53.374 52.037 0.225 0.000 0.655 87 A CB -1.202 17.943 19.000 0.241 0.000 0.812 87 A HN 0.533 nan 8.150 nan 0.000 0.462 88 F N -0.824 119.189 119.950 0.104 0.000 2.695 88 F HA 0.182 4.707 4.527 -0.003 0.000 0.301 88 F C 1.641 177.529 175.800 0.146 0.000 1.182 88 F CA -0.523 57.569 58.000 0.153 0.000 1.412 88 F CB -0.198 38.882 39.000 0.133 0.000 1.056 88 F HN 0.017 nan 8.300 nan 0.000 0.522 89 V N -1.172 118.899 119.914 0.261 0.000 2.490 89 V HA -0.123 3.995 4.120 -0.003 0.000 0.238 89 V C 2.280 178.488 176.094 0.190 0.000 1.056 89 V CA 1.122 63.555 62.300 0.222 0.000 1.075 89 V CB -0.311 31.570 31.823 0.097 0.000 0.746 89 V HN 0.202 nan 8.190 nan 0.000 0.479 90 E N 0.990 121.256 120.200 0.110 0.000 2.055 90 E HA -0.251 4.098 4.350 -0.003 0.000 0.209 90 E C -0.285 176.355 176.600 0.066 0.000 1.036 90 E CA 2.530 58.970 56.400 0.066 0.000 0.849 90 E CB -0.901 28.830 29.700 0.052 0.000 0.767 90 E HN 0.485 nan 8.360 nan 0.000 0.461 91 P HA -0.179 nan 4.420 nan 0.000 0.216 91 P C 1.526 178.837 177.300 0.018 0.000 1.153 91 P CA 1.222 64.340 63.100 0.031 0.000 0.848 91 P CB -0.350 31.368 31.700 0.031 0.000 0.787 92 F N 1.254 121.166 119.950 -0.063 0.000 2.202 92 F HA -0.165 4.360 4.527 -0.003 0.000 0.301 92 F C 1.953 177.745 175.800 -0.014 0.000 1.082 92 F CA 1.239 59.209 58.000 -0.050 0.000 1.313 92 F CB -0.898 38.105 39.000 0.004 0.000 1.024 92 F HN -0.304 nan 8.300 nan 0.000 0.495 93 V N 0.692 120.545 119.914 -0.102 0.000 2.255 93 V HA -0.278 3.840 4.120 -0.003 0.000 0.243 93 V C 2.459 178.448 176.094 -0.174 0.000 1.038 93 V CA 2.017 64.217 62.300 -0.167 0.000 1.008 93 V CB -0.742 31.088 31.823 0.012 0.000 0.645 93 V HN 0.316 nan 8.190 nan 0.000 0.449 94 I N 0.038 120.549 120.570 -0.099 0.000 2.113 94 I HA -0.356 3.812 4.170 -0.003 0.000 0.242 94 I C 2.440 178.478 176.117 -0.131 0.000 1.057 94 I CA 1.941 63.185 61.300 -0.094 0.000 1.314 94 I CB -0.520 37.441 38.000 -0.066 0.000 1.022 94 I HN 0.259 nan 8.210 nan 0.000 0.408 95 L N -0.042 121.088 121.223 -0.154 0.000 2.042 95 L HA -0.260 4.078 4.340 -0.003 0.000 0.210 95 L C 2.601 179.362 176.870 -0.181 0.000 1.076 95 L CA 1.445 56.198 54.840 -0.145 0.000 0.749 95 L CB -0.691 41.275 42.059 -0.155 0.000 0.893 95 L HN 0.289 nan 8.230 nan 0.000 0.432 96 L N -0.286 120.744 121.223 -0.322 0.000 1.971 96 L HA -0.287 4.051 4.340 -0.003 0.000 0.215 96 L C 2.503 179.279 176.870 -0.156 0.000 1.072 96 L CA 1.642 56.309 54.840 -0.288 0.000 0.758 96 L CB -0.551 41.276 42.059 -0.386 0.000 0.889 96 L HN 0.165 nan 8.230 nan 0.000 0.433 97 I N -0.495 119.989 120.570 -0.144 0.000 2.053 97 I HA -0.395 3.773 4.170 -0.003 0.000 0.236 97 I C 2.523 178.573 176.117 -0.111 0.000 1.038 97 I CA 1.651 62.885 61.300 -0.110 0.000 1.304 97 I CB -0.553 37.385 38.000 -0.103 0.000 1.023 97 I HN 0.214 nan 8.210 nan 0.000 0.395 98 L N 0.457 121.600 121.223 -0.134 0.000 1.976 98 L HA -0.321 4.018 4.340 -0.003 0.000 0.223 98 L C 2.638 179.463 176.870 -0.075 0.000 1.081 98 L CA 1.963 56.689 54.840 -0.190 0.000 0.784 98 L CB -0.756 41.184 42.059 -0.199 0.000 0.896 98 L HN 0.288 nan 8.230 nan 0.000 0.438 99 I N -0.208 120.386 120.570 0.040 0.000 2.113 99 I HA -0.383 3.786 4.170 -0.003 0.000 0.242 99 I C 2.830 178.978 176.117 0.051 0.000 1.064 99 I CA 1.518 62.883 61.300 0.108 0.000 1.320 99 I CB -0.563 37.461 38.000 0.041 0.000 1.028 99 I HN 0.322 nan 8.210 nan 0.000 0.406 100 A N 0.858 123.671 122.820 -0.012 0.000 1.958 100 A HA -0.272 4.046 4.320 -0.003 0.000 0.221 100 A C 2.063 179.641 177.584 -0.010 0.000 1.178 100 A CA 2.268 54.292 52.037 -0.020 0.000 0.642 100 A CB -0.790 18.181 19.000 -0.048 0.000 0.816 100 A HN 0.498 nan 8.150 nan 0.000 0.453 101 N N 0.331 119.015 118.700 -0.027 0.000 2.039 101 N HA -0.134 4.604 4.740 -0.003 0.000 0.193 101 N C 2.002 177.530 175.510 0.029 0.000 1.044 101 N CA 1.740 54.774 53.050 -0.028 0.000 0.847 101 N CB -0.763 37.669 38.487 -0.091 0.000 1.030 101 N HN 0.463 nan 8.380 nan 0.000 0.422 102 A N 1.483 124.354 122.820 0.086 0.000 1.948 102 A HA -0.123 4.195 4.320 -0.003 0.000 0.220 102 A C 2.298 179.955 177.584 0.122 0.000 1.177 102 A CA 1.112 53.249 52.037 0.167 0.000 0.636 102 A CB -0.818 18.393 19.000 0.351 0.000 0.815 102 A HN 0.299 nan 8.150 nan 0.000 0.449 103 I N -0.968 119.660 120.570 0.097 0.000 2.361 103 I HA -0.186 3.982 4.170 -0.003 0.000 0.251 103 I C 2.231 178.417 176.117 0.114 0.000 1.133 103 I CA 0.756 62.111 61.300 0.093 0.000 1.413 103 I CB -0.387 37.640 38.000 0.044 0.000 1.073 103 I HN 0.164 nan 8.210 nan 0.000 0.424 104 V N 1.039 121.003 119.914 0.084 0.000 2.249 104 V HA -0.114 4.005 4.120 -0.003 0.000 0.239 104 V C 2.662 178.835 176.094 0.132 0.000 1.038 104 V CA 2.183 64.541 62.300 0.097 0.000 1.005 104 V CB -1.274 30.576 31.823 0.045 0.000 0.646 104 V HN 0.494 nan 8.190 nan 0.000 0.455 105 G N -0.559 108.295 108.800 0.089 0.000 2.507 105 G HA2 -0.283 3.676 3.960 -0.003 0.000 0.221 105 G HA3 -0.283 3.676 3.960 -0.003 0.000 0.221 105 G C 1.765 176.718 174.900 0.088 0.000 1.119 105 G CA 1.443 46.588 45.100 0.076 0.000 0.751 105 G HN 0.394 nan 8.290 nan 0.000 0.574 106 V N -0.478 119.506 119.914 0.115 0.000 2.453 106 V HA 0.023 4.142 4.120 -0.003 0.000 0.247 106 V C 2.004 178.178 176.094 0.133 0.000 1.048 106 V CA 1.716 64.082 62.300 0.109 0.000 1.049 106 V CB -0.224 31.673 31.823 0.124 0.000 0.672 106 V HN 0.655 nan 8.190 nan 0.000 0.457 107 W N 0.155 121.462 121.300 0.013 0.000 2.863 107 W HA 0.030 4.688 4.660 -0.003 0.000 0.258 107 W C 1.988 178.511 176.519 0.007 0.000 1.298 107 W CA 1.179 58.529 57.345 0.010 0.000 1.451 107 W CB 0.285 29.751 29.460 0.009 0.000 1.107 107 W HN 0.462 nan 8.180 nan 0.000 0.641 108 Q N 1.155 121.067 119.800 0.186 0.000 1.896 108 Q HA -0.219 4.119 4.340 -0.003 0.000 0.205 108 Q C 2.266 178.278 176.000 0.021 0.000 0.978 108 Q CA 2.195 58.064 55.803 0.110 0.000 0.850 108 Q CB -1.029 27.764 28.738 0.091 0.000 0.908 108 Q HN -0.008 nan 8.270 nan 0.000 0.431 109 E N 0.596 120.803 120.200 0.011 0.000 2.114 109 E HA -0.299 4.049 4.350 -0.003 0.000 0.199 109 E C 2.081 178.649 176.600 -0.053 0.000 1.008 109 E CA 1.591 57.982 56.400 -0.014 0.000 0.810 109 E CB -0.235 29.461 29.700 -0.007 0.000 0.739 109 E HN 0.354 nan 8.360 nan 0.000 0.456 110 R N -0.178 120.271 120.500 -0.085 0.000 2.153 110 R HA -0.153 4.185 4.340 -0.003 0.000 0.252 110 R C 1.313 177.478 176.300 -0.225 0.000 1.158 110 R CA 1.797 57.793 56.100 -0.174 0.000 0.975 110 R CB -0.072 30.066 30.300 -0.269 0.000 0.871 110 R HN 0.173 nan 8.270 nan 0.000 0.450 111 N N -0.773 117.804 118.700 -0.206 0.000 2.230 111 N HA 0.118 4.856 4.740 -0.003 0.000 0.202 111 N C -0.181 175.278 175.510 -0.086 0.000 1.119 111 N CA 0.329 53.274 53.050 -0.175 0.000 0.851 111 N CB 0.924 39.310 38.487 -0.168 0.000 0.990 111 N HN 0.172 nan 8.380 nan 0.000 0.497 112 A N 1.456 124.236 122.820 -0.067 0.000 2.372 112 A HA 0.507 4.825 4.320 -0.003 0.000 0.271 112 A C 0.316 177.875 177.584 -0.043 0.000 1.470 112 A CA -0.075 51.938 52.037 -0.039 0.000 0.827 112 A CB 0.355 19.339 19.000 -0.027 0.000 1.405 112 A HN 0.328 nan 8.150 nan 0.000 0.536 113 E N -0.979 119.203 120.200 -0.031 0.000 2.401 113 E HA 0.266 4.614 4.350 -0.003 0.000 0.283 113 E C -1.940 174.648 176.600 -0.020 0.000 1.053 113 E CA -0.996 55.386 56.400 -0.030 0.000 0.842 113 E CB 0.528 30.209 29.700 -0.031 0.000 1.222 113 E HN 0.482 nan 8.360 nan 0.000 0.429 114 N N 0.633 119.322 118.700 -0.019 0.000 2.509 114 N HA 0.369 5.107 4.740 -0.003 0.000 0.287 114 N C 0.330 175.836 175.510 -0.007 0.000 1.121 114 N CA 0.100 53.143 53.050 -0.011 0.000 0.977 114 N CB 1.585 40.067 38.487 -0.009 0.000 1.167 114 N HN 0.665 nan 8.380 nan 0.000 0.476 115 A N 1.137 123.957 122.820 0.001 0.000 2.067 115 A HA 0.051 4.370 4.320 -0.003 0.000 0.217 115 A C 1.853 179.448 177.584 0.018 0.000 1.156 115 A CA 0.600 52.643 52.037 0.010 0.000 0.683 115 A CB -0.497 18.512 19.000 0.014 0.000 0.808 115 A HN 0.711 nan 8.150 nan 0.000 0.455 116 I N -0.294 120.284 120.570 0.013 0.000 2.493 116 I HA -0.199 3.969 4.170 -0.003 0.000 0.254 116 I C 2.443 178.569 176.117 0.014 0.000 1.160 116 I CA 1.487 62.799 61.300 0.019 0.000 1.445 116 I CB -0.183 37.825 38.000 0.013 0.000 1.086 116 I HN 0.568 nan 8.210 nan 0.000 0.433 117 E N 1.894 122.094 120.200 -0.001 0.000 2.107 117 E HA -0.198 4.150 4.350 -0.003 0.000 0.191 117 E C 2.299 178.879 176.600 -0.033 0.000 0.982 117 E CA 1.153 57.543 56.400 -0.016 0.000 0.809 117 E CB 0.033 29.719 29.700 -0.024 0.000 0.756 117 E HN 0.432 nan 8.360 nan 0.000 0.459 118 A N 1.470 124.272 122.820 -0.030 0.000 1.940 118 A HA -0.143 4.175 4.320 -0.003 0.000 0.219 118 A C 2.236 179.760 177.584 -0.100 0.000 1.176 118 A CA 1.082 53.078 52.037 -0.068 0.000 0.631 118 A CB -0.652 18.333 19.000 -0.025 0.000 0.814 118 A HN 0.334 nan 8.150 nan 0.000 0.446 119 L N -0.665 120.577 121.223 0.031 0.000 2.042 119 L HA -0.203 4.135 4.340 -0.003 0.000 0.210 119 L C 2.258 179.181 176.870 0.089 0.000 1.076 119 L CA 1.653 56.595 54.840 0.170 0.000 0.749 119 L CB -0.408 41.743 42.059 0.154 0.000 0.893 119 L HN 0.338 nan 8.230 nan 0.000 0.432 120 K N -0.176 120.229 120.400 0.010 0.000 2.585 120 K HA -0.131 4.188 4.320 -0.003 0.000 0.194 120 K C 1.465 178.025 176.600 -0.066 0.000 1.037 120 K CA 0.481 56.766 56.287 -0.004 0.000 0.964 120 K CB 0.011 32.505 32.500 -0.009 0.000 0.787 120 K HN 0.275 nan 8.250 nan 0.000 0.488 121 E N -0.402 119.679 120.200 -0.199 0.000 2.435 121 E HA -0.077 4.271 4.350 -0.003 0.000 0.195 121 E C 0.823 177.231 176.600 -0.322 0.000 1.029 121 E CA 0.808 57.029 56.400 -0.299 0.000 0.865 121 E CB 0.105 29.539 29.700 -0.444 0.000 0.833 121 E HN 0.424 nan 8.360 nan 0.000 0.510 122 Y N 1.007 121.310 120.300 0.005 0.000 2.482 122 Y HA 0.158 4.706 4.550 -0.003 0.000 0.270 122 Y C 0.482 176.388 175.900 0.012 0.000 1.152 122 Y CA -0.121 57.984 58.100 0.009 0.000 1.292 122 Y CB 0.290 38.757 38.460 0.012 0.000 1.070 122 Y HN -0.097 nan 8.280 nan 0.000 0.528 123 E N 3.911 124.180 120.200 0.116 0.000 2.003 123 E HA 0.105 4.453 4.350 -0.003 0.000 0.279 123 E C -2.324 174.303 176.600 0.044 0.000 1.132 123 E CA -1.828 54.617 56.400 0.075 0.000 0.888 123 E CB 0.237 29.967 29.700 0.050 0.000 1.056 123 E HN 0.114 nan 8.360 nan 0.000 0.399 124 P HA -0.009 nan 4.420 nan 0.000 0.276 124 P C 0.289 177.598 177.300 0.014 0.000 1.235 124 P CA 0.063 63.180 63.100 0.029 0.000 0.772 124 P CB 1.497 33.217 31.700 0.034 0.000 0.871 125 E N 2.804 123.006 120.200 0.003 0.000 2.038 125 E HA -0.136 4.212 4.350 -0.003 0.000 0.195 125 E C 0.485 177.081 176.600 -0.007 0.000 1.000 125 E CA 1.153 57.550 56.400 -0.005 0.000 0.803 125 E CB 0.035 29.729 29.700 -0.010 0.000 0.750 125 E HN 0.380 nan 8.360 nan 0.000 0.448 126 M N -0.598 118.999 119.600 -0.006 0.000 2.613 126 M HA 0.527 5.005 4.480 -0.003 0.000 0.301 126 M C 0.408 176.703 176.300 -0.009 0.000 1.205 126 M CA -0.393 54.900 55.300 -0.011 0.000 0.950 126 M CB 1.293 33.884 32.600 -0.015 0.000 1.585 126 M HN 0.138 nan 8.290 nan 0.000 0.490 127 G N 0.529 109.318 108.800 -0.017 0.000 2.649 127 G HA2 0.651 4.609 3.960 -0.003 0.000 0.290 127 G HA3 0.651 4.609 3.960 -0.003 0.000 0.290 127 G C -1.766 173.111 174.900 -0.039 0.000 1.426 127 G CA -0.769 44.319 45.100 -0.019 0.000 0.794 127 G HN 0.525 nan 8.290 nan 0.000 0.483 128 K N 0.057 120.429 120.400 -0.047 0.000 2.463 128 K HA 0.633 4.951 4.320 -0.003 0.000 0.255 128 K C -0.454 176.082 176.600 -0.107 0.000 0.942 128 K CA -0.759 55.474 56.287 -0.090 0.000 0.814 128 K CB 2.457 34.905 32.500 -0.087 0.000 1.122 128 K HN 0.676 nan 8.250 nan 0.000 0.425 129 V N -0.371 119.443 119.914 -0.167 0.000 3.141 129 V HA 0.601 4.719 4.120 -0.003 0.000 0.312 129 V C -1.561 174.343 176.094 -0.316 0.000 1.157 129 V CA -0.870 61.346 62.300 -0.140 0.000 1.041 129 V CB 1.494 33.285 31.823 -0.053 0.000 1.071 129 V HN 0.633 nan 8.190 nan 0.000 0.441 130 Y N 1.043 121.338 120.300 -0.009 0.000 2.338 130 Y HA 0.766 5.314 4.550 -0.003 0.000 0.328 130 Y C 0.407 176.303 175.900 -0.007 0.000 0.965 130 Y CA -0.407 57.688 58.100 -0.007 0.000 1.208 130 Y CB 1.770 40.227 38.460 -0.006 0.000 1.132 130 Y HN 0.597 nan 8.280 nan 0.000 0.469 131 R N 0.969 121.519 120.500 0.084 0.000 2.740 131 R HA 0.635 4.973 4.340 -0.003 0.000 0.282 131 R C 0.748 177.081 176.300 0.055 0.000 0.969 131 R CA -0.546 55.587 56.100 0.055 0.000 0.918 131 R CB 1.685 31.994 30.300 0.015 0.000 1.175 131 R HN 0.776 nan 8.270 nan 0.000 0.464 132 A N 1.492 124.336 122.820 0.039 0.000 2.084 132 A HA -0.187 4.131 4.320 -0.003 0.000 0.221 132 A C 1.102 178.700 177.584 0.023 0.000 1.161 132 A CA 1.899 53.954 52.037 0.031 0.000 0.653 132 A CB -0.473 18.537 19.000 0.017 0.000 0.802 132 A HN 0.846 nan 8.150 nan 0.000 0.457 133 D N -1.042 119.368 120.400 0.017 0.000 2.413 133 D HA 0.146 4.784 4.640 -0.003 0.000 0.237 133 D C 0.369 176.676 176.300 0.012 0.000 1.171 133 D CA 0.096 54.102 54.000 0.011 0.000 0.839 133 D CB -0.197 40.605 40.800 0.004 0.000 0.950 133 D HN 0.448 nan 8.370 nan 0.000 0.499 134 R N -1.184 119.330 120.500 0.023 0.000 3.231 134 R HA 0.079 4.417 4.340 -0.003 0.000 0.279 134 R C 0.035 176.368 176.300 0.054 0.000 0.990 134 R CA -0.595 55.521 56.100 0.026 0.000 0.879 134 R CB 0.737 31.042 30.300 0.008 0.000 1.289 134 R HN -0.137 nan 8.270 nan 0.000 0.529 135 K N 0.513 120.949 120.400 0.061 0.000 2.276 135 K HA 0.133 4.451 4.320 -0.003 0.000 0.198 135 K C 0.403 177.101 176.600 0.163 0.000 1.052 135 K CA 0.783 57.130 56.287 0.099 0.000 0.984 135 K CB 0.356 32.895 32.500 0.065 0.000 0.836 135 K HN 0.593 nan 8.250 nan 0.000 0.490 136 S N 0.498 116.257 115.700 0.098 0.000 2.632 136 S HA 0.146 4.614 4.470 -0.003 0.000 0.267 136 S C 0.222 174.794 174.600 -0.046 0.000 1.276 136 S CA -0.931 57.323 58.200 0.091 0.000 0.998 136 S CB 1.547 64.767 63.200 0.032 0.000 0.953 136 S HN 0.014 nan 8.310 nan 0.000 0.547 137 V N 1.723 121.505 119.914 -0.220 0.000 2.637 137 V HA 0.196 4.314 4.120 -0.003 0.000 0.296 137 V C -0.197 175.705 176.094 -0.321 0.000 1.046 137 V CA 0.010 61.921 62.300 -0.649 0.000 1.066 137 V CB 0.433 31.847 31.823 -0.681 0.000 0.968 137 V HN 0.931 nan 8.190 nan 0.000 0.483 138 Q N 5.729 125.346 119.800 -0.306 0.000 2.241 138 Q HA 0.459 4.797 4.340 -0.003 0.000 0.254 138 Q C -0.466 175.451 176.000 -0.140 0.000 0.917 138 Q CA -0.529 55.177 55.803 -0.163 0.000 0.919 138 Q CB 1.790 30.459 28.738 -0.115 0.000 1.237 138 Q HN 0.711 nan 8.270 nan 0.000 0.434 139 R N 3.614 124.059 120.500 -0.092 0.000 2.278 139 R HA 0.360 4.698 4.340 -0.003 0.000 0.322 139 R C -0.595 175.675 176.300 -0.049 0.000 1.058 139 R CA -0.115 55.944 56.100 -0.069 0.000 0.991 139 R CB 0.066 30.334 30.300 -0.055 0.000 1.140 139 R HN 0.710 nan 8.270 nan 0.000 0.518 140 I N -0.703 119.840 120.570 -0.045 0.000 3.023 140 I HA 0.502 4.670 4.170 -0.003 0.000 0.312 140 I C -0.697 175.406 176.117 -0.023 0.000 1.056 140 I CA -1.275 60.007 61.300 -0.030 0.000 1.033 140 I CB 1.875 39.860 38.000 -0.024 0.000 1.233 140 I HN 0.294 nan 8.210 nan 0.000 0.462 141 K N 2.799 123.187 120.400 -0.021 0.000 2.383 141 K HA 0.231 4.549 4.320 -0.003 0.000 0.286 141 K C 1.016 177.609 176.600 -0.012 0.000 1.051 141 K CA 0.378 56.653 56.287 -0.020 0.000 0.974 141 K CB 1.423 33.905 32.500 -0.031 0.000 0.968 141 K HN 0.792 nan 8.250 nan 0.000 0.475 142 A N 4.242 127.059 122.820 -0.005 0.000 1.915 142 A HA -0.297 4.021 4.320 -0.003 0.000 0.220 142 A C 2.170 179.764 177.584 0.016 0.000 1.198 142 A CA 2.083 54.125 52.037 0.007 0.000 0.647 142 A CB -0.531 18.477 19.000 0.013 0.000 0.825 142 A HN 0.935 nan 8.150 nan 0.000 0.456 143 R N -0.474 120.025 120.500 -0.002 0.000 2.153 143 R HA -0.220 4.118 4.340 -0.003 0.000 0.252 143 R C 0.448 176.760 176.300 0.020 0.000 1.158 143 R CA 2.057 58.149 56.100 -0.014 0.000 0.975 143 R CB -0.362 29.886 30.300 -0.087 0.000 0.871 143 R HN 0.537 nan 8.270 nan 0.000 0.450 144 D N -0.115 120.297 120.400 0.020 0.000 2.328 144 D HA 0.099 4.737 4.640 -0.003 0.000 0.221 144 D C 0.291 176.647 176.300 0.092 0.000 1.072 144 D CA 0.197 54.245 54.000 0.080 0.000 0.850 144 D CB 0.182 41.005 40.800 0.039 0.000 0.922 144 D HN 0.296 nan 8.370 nan 0.000 0.516 145 I N 0.874 121.486 120.570 0.070 0.000 2.581 145 I HA 0.091 4.259 4.170 -0.003 0.000 0.288 145 I C 0.332 176.498 176.117 0.082 0.000 1.047 145 I CA -0.310 61.023 61.300 0.055 0.000 1.374 145 I CB 1.544 39.559 38.000 0.024 0.000 1.423 145 I HN -0.344 nan 8.210 nan 0.000 0.549 146 V N 6.688 126.649 119.914 0.078 0.000 2.864 146 V HA 0.360 4.478 4.120 -0.003 0.000 0.314 146 V C -2.348 173.768 176.094 0.036 0.000 1.073 146 V CA -1.994 60.380 62.300 0.123 0.000 0.956 146 V CB 2.326 34.277 31.823 0.213 0.000 1.023 146 V HN 0.562 nan 8.190 nan 0.000 0.435 147 P HA 0.316 nan 4.420 nan 0.000 0.265 147 P C 0.697 177.711 177.300 -0.477 0.000 1.222 147 P CA 1.204 64.112 63.100 -0.321 0.000 0.767 147 P CB 0.585 31.978 31.700 -0.511 0.000 0.801 148 G N 2.834 111.108 108.800 -0.876 0.000 2.352 148 G HA2 -0.152 3.806 3.960 -0.003 0.000 0.204 148 G HA3 -0.152 3.806 3.960 -0.003 0.000 0.204 148 G C -0.291 174.489 174.900 -0.200 0.000 1.004 148 G CA -0.229 44.414 45.100 -0.760 0.000 0.648 148 G HN 0.613 nan 8.290 nan 0.000 0.491 149 D N 1.556 121.908 120.400 -0.080 0.000 2.341 149 D HA 0.488 5.126 4.640 -0.003 0.000 0.245 149 D C 0.351 176.635 176.300 -0.025 0.000 1.106 149 D CA -0.709 53.282 54.000 -0.015 0.000 0.905 149 D CB 0.904 41.715 40.800 0.017 0.000 1.202 149 D HN 0.134 nan 8.370 nan 0.000 0.426 150 I N 1.446 122.034 120.570 0.029 0.000 2.598 150 I HA 0.054 4.222 4.170 -0.003 0.000 0.284 150 I C 0.116 176.289 176.117 0.094 0.000 1.140 150 I CA 0.007 61.343 61.300 0.060 0.000 1.420 150 I CB 0.705 38.767 38.000 0.103 0.000 1.387 150 I HN 0.205 nan 8.210 nan 0.000 0.553 151 V N 6.093 126.045 119.914 0.064 0.000 2.919 151 V HA 0.548 4.666 4.120 -0.003 0.000 0.316 151 V C -0.224 175.924 176.094 0.091 0.000 1.077 151 V CA -0.886 61.448 62.300 0.056 0.000 0.977 151 V CB 2.048 33.873 31.823 0.004 0.000 1.039 151 V HN 0.708 nan 8.190 nan 0.000 0.441 152 E N 1.262 121.508 120.200 0.076 0.000 2.256 152 E HA 0.719 5.067 4.350 -0.003 0.000 0.268 152 E C -1.609 175.014 176.600 0.038 0.000 0.877 152 E CA -0.495 55.960 56.400 0.092 0.000 0.757 152 E CB 2.297 32.100 29.700 0.172 0.000 1.183 152 E HN 0.644 nan 8.360 nan 0.000 0.418 153 V N -0.056 119.877 119.914 0.031 0.000 3.130 153 V HA 1.057 5.175 4.120 -0.003 0.000 0.310 153 V C -0.749 175.356 176.094 0.018 0.000 1.158 153 V CA -0.476 61.834 62.300 0.016 0.000 1.029 153 V CB 1.307 33.133 31.823 0.005 0.000 1.057 153 V HN 0.837 nan 8.190 nan 0.000 0.436 154 A N 0.609 123.437 122.820 0.013 0.000 2.581 154 A HA 0.784 5.102 4.320 -0.003 0.000 0.290 154 A C 0.644 178.235 177.584 0.011 0.000 1.119 154 A CA 0.120 52.166 52.037 0.014 0.000 0.670 154 A CB 0.971 19.981 19.000 0.017 0.000 1.280 154 A HN 2.109 nan 8.150 nan 0.000 0.425 155 V N 0.560 120.481 119.914 0.011 0.000 2.295 155 V HA -0.347 3.771 4.120 -0.003 0.000 0.261 155 V C 1.787 177.889 176.094 0.013 0.000 1.097 155 V CA 3.892 66.199 62.300 0.012 0.000 1.100 155 V CB -0.697 31.133 31.823 0.012 0.000 0.737 155 V HN 1.703 nan 8.190 nan 0.000 0.458 156 G N -1.310 107.498 108.800 0.013 0.000 2.719 156 G HA2 0.066 4.024 3.960 -0.003 0.000 0.211 156 G HA3 0.066 4.024 3.960 -0.003 0.000 0.211 156 G C 0.273 175.183 174.900 0.016 0.000 1.140 156 G CA 0.353 45.461 45.100 0.014 0.000 0.790 156 G HN 0.626 nan 8.290 nan 0.000 0.529 157 D N 0.696 121.105 120.400 0.014 0.000 2.443 157 D HA 0.078 4.716 4.640 -0.003 0.000 0.234 157 D C 0.233 176.547 176.300 0.023 0.000 1.172 157 D CA 0.553 54.562 54.000 0.015 0.000 0.878 157 D CB 1.154 41.960 40.800 0.010 0.000 1.204 157 D HN 0.192 nan 8.370 nan 0.000 0.453 158 K N 0.957 121.373 120.400 0.028 0.000 2.234 158 K HA 0.251 4.569 4.320 -0.003 0.000 0.277 158 K C -0.851 175.770 176.600 0.035 0.000 1.038 158 K CA -0.713 55.599 56.287 0.042 0.000 0.888 158 K CB 0.844 33.377 32.500 0.055 0.000 1.091 158 K HN 0.102 nan 8.250 nan 0.000 0.467 159 V N 8.331 128.265 119.914 0.034 0.000 2.441 159 V HA -0.008 4.110 4.120 -0.003 0.000 0.279 159 V C -1.122 174.992 176.094 0.032 0.000 0.990 159 V CA -0.838 61.476 62.300 0.023 0.000 1.116 159 V CB 0.596 32.429 31.823 0.016 0.000 0.977 159 V HN 0.890 nan 8.190 nan 0.000 0.470 160 P HA 0.012 nan 4.420 nan 0.000 0.223 160 P C 0.322 177.637 177.300 0.026 0.000 1.151 160 P CA 1.332 64.447 63.100 0.025 0.000 0.787 160 P CB 0.647 32.354 31.700 0.013 0.000 0.788 161 A N -0.861 121.968 122.820 0.015 0.000 2.564 161 A HA 0.460 4.778 4.320 -0.003 0.000 0.291 161 A C -1.602 175.983 177.584 0.002 0.000 1.102 161 A CA -0.623 51.422 52.037 0.012 0.000 0.660 161 A CB 0.189 19.185 19.000 -0.008 0.000 1.283 161 A HN -0.234 nan 8.150 nan 0.000 0.430 162 D N 1.162 121.567 120.400 0.009 0.000 2.344 162 D HA 0.500 5.138 4.640 -0.003 0.000 0.253 162 D C -0.555 175.704 176.300 -0.067 0.000 1.255 162 D CA 0.862 54.858 54.000 -0.007 0.000 0.894 162 D CB 0.162 41.000 40.800 0.063 0.000 1.067 162 D HN 0.384 nan 8.370 nan 0.000 0.492 163 I N 2.108 122.608 120.570 -0.116 0.000 2.441 163 I HA 0.326 4.494 4.170 -0.003 0.000 0.295 163 I C 0.351 176.390 176.117 -0.130 0.000 0.994 163 I CA -1.131 60.103 61.300 -0.111 0.000 1.144 163 I CB 1.668 39.614 38.000 -0.090 0.000 1.314 163 I HN 0.027 nan 8.210 nan 0.000 0.445 164 R N 6.473 126.923 120.500 -0.085 0.000 2.404 164 R HA 0.543 4.881 4.340 -0.003 0.000 0.291 164 R C -1.130 175.140 176.300 -0.049 0.000 1.025 164 R CA -0.181 55.884 56.100 -0.058 0.000 0.991 164 R CB 0.591 30.883 30.300 -0.015 0.000 1.053 164 R HN 0.531 nan 8.270 nan 0.000 0.479 165 I N 6.294 126.839 120.570 -0.042 0.000 2.395 165 I HA 0.070 4.238 4.170 -0.003 0.000 0.289 165 I C 0.752 176.864 176.117 -0.007 0.000 1.023 165 I CA -0.197 61.087 61.300 -0.027 0.000 1.350 165 I CB 1.035 39.019 38.000 -0.026 0.000 1.409 165 I HN 0.638 nan 8.210 nan 0.000 0.507 166 L N 4.281 125.500 121.223 -0.006 0.000 2.286 166 L HA 0.143 4.481 4.340 -0.003 0.000 0.203 166 L C 0.557 177.426 176.870 -0.002 0.000 1.068 166 L CA 0.490 55.329 54.840 -0.001 0.000 0.811 166 L CB 0.071 42.127 42.059 -0.005 0.000 0.989 166 L HN 0.782 nan 8.230 nan 0.000 0.467 167 S N -0.707 114.990 115.700 -0.005 0.000 2.563 167 S HA 0.457 4.925 4.470 -0.003 0.000 0.279 167 S C -0.980 173.619 174.600 -0.001 0.000 1.155 167 S CA -0.744 57.454 58.200 -0.003 0.000 0.928 167 S CB 1.022 64.213 63.200 -0.015 0.000 1.107 167 S HN 0.063 nan 8.310 nan 0.000 0.462 168 I N 4.233 124.807 120.570 0.006 0.000 2.312 168 I HA 0.321 4.489 4.170 -0.003 0.000 0.291 168 I C 0.945 177.065 176.117 0.005 0.000 1.031 168 I CA -0.816 60.488 61.300 0.007 0.000 1.293 168 I CB 1.178 39.187 38.000 0.015 0.000 1.403 168 I HN 0.641 nan 8.210 nan 0.000 0.484 169 K N 3.414 123.817 120.400 0.004 0.000 2.044 169 K HA 0.021 4.339 4.320 -0.003 0.000 0.204 169 K C 1.095 177.698 176.600 0.006 0.000 1.049 169 K CA 0.643 56.932 56.287 0.003 0.000 0.945 169 K CB -0.483 32.020 32.500 0.005 0.000 0.724 169 K HN 0.695 nan 8.250 nan 0.000 0.440 170 S N 0.836 116.541 115.700 0.008 0.000 2.587 170 S HA -0.003 4.465 4.470 -0.003 0.000 0.260 170 S C 1.350 175.956 174.600 0.010 0.000 1.353 170 S CA 0.282 58.487 58.200 0.009 0.000 0.995 170 S CB 0.416 63.621 63.200 0.009 0.000 0.912 170 S HN 0.426 nan 8.310 nan 0.000 0.568 171 T N -3.036 111.525 114.554 0.012 0.000 3.113 171 T HA 0.204 4.552 4.350 -0.003 0.000 0.263 171 T C 0.591 175.304 174.700 0.022 0.000 1.143 171 T CA 0.753 62.862 62.100 0.014 0.000 1.090 171 T CB -0.488 68.389 68.868 0.014 0.000 0.922 171 T HN 0.804 nan 8.240 nan 0.000 0.521 172 T N 0.146 114.710 114.554 0.016 0.000 3.087 172 T HA 0.506 4.854 4.350 -0.003 0.000 0.351 172 T C -2.436 172.261 174.700 -0.006 0.000 1.520 172 T CA -0.816 61.290 62.100 0.010 0.000 1.111 172 T CB 1.505 70.384 68.868 0.018 0.000 1.353 172 T HN 0.211 nan 8.240 nan 0.000 0.481 173 L N 4.330 125.535 121.223 -0.029 0.000 2.341 173 L HA 0.862 5.200 4.340 -0.003 0.000 0.278 173 L C -0.881 175.963 176.870 -0.044 0.000 1.005 173 L CA -0.368 54.453 54.840 -0.033 0.000 0.818 173 L CB 1.277 43.313 42.059 -0.039 0.000 1.259 173 L HN 0.538 nan 8.230 nan 0.000 0.418 174 R N 3.912 124.397 120.500 -0.024 0.000 2.686 174 R HA 0.817 5.155 4.340 -0.003 0.000 0.286 174 R C -1.519 174.776 176.300 -0.007 0.000 0.969 174 R CA -0.775 55.314 56.100 -0.017 0.000 0.898 174 R CB 2.083 32.380 30.300 -0.005 0.000 1.183 174 R HN 0.446 nan 8.270 nan 0.000 0.456 175 V N 0.911 120.825 119.914 -0.001 0.000 2.789 175 V HA 0.264 4.382 4.120 -0.003 0.000 0.311 175 V C -0.511 175.598 176.094 0.026 0.000 1.073 175 V CA -0.930 61.378 62.300 0.013 0.000 0.921 175 V CB 2.569 34.402 31.823 0.016 0.000 1.009 175 V HN 0.565 nan 8.190 nan 0.000 0.426 176 D N 2.764 123.181 120.400 0.029 0.000 2.524 176 D HA 0.215 4.853 4.640 -0.003 0.000 0.222 176 D C 0.364 176.682 176.300 0.031 0.000 1.142 176 D CA -0.207 53.810 54.000 0.029 0.000 0.973 176 D CB 0.734 41.550 40.800 0.027 0.000 1.025 176 D HN 0.590 nan 8.370 nan 0.000 0.519 177 Q N 1.483 121.306 119.800 0.039 0.000 2.642 177 Q HA 0.075 4.413 4.340 -0.003 0.000 0.319 177 Q C 1.162 177.156 176.000 -0.009 0.000 1.030 177 Q CA -0.178 55.646 55.803 0.036 0.000 0.943 177 Q CB 0.129 28.916 28.738 0.081 0.000 1.323 177 Q HN 0.381 nan 8.270 nan 0.000 0.419 178 S N -0.103 115.589 115.700 -0.013 0.000 2.421 178 S HA -0.112 4.356 4.470 -0.003 0.000 0.224 178 S C 1.939 176.505 174.600 -0.056 0.000 1.035 178 S CA 0.436 58.623 58.200 -0.021 0.000 0.953 178 S CB -0.478 62.724 63.200 0.003 0.000 0.810 178 S HN 0.543 nan 8.310 nan 0.000 0.497 179 I N 0.720 121.234 120.570 -0.093 0.000 2.381 179 I HA -0.110 4.058 4.170 -0.003 0.000 0.255 179 I C 2.030 178.010 176.117 -0.228 0.000 1.140 179 I CA 1.272 62.447 61.300 -0.209 0.000 1.404 179 I CB -0.694 37.012 38.000 -0.491 0.000 1.075 179 I HN 0.224 nan 8.210 nan 0.000 0.433 180 L N 0.398 121.514 121.223 -0.178 0.000 2.071 180 L HA -0.057 4.281 4.340 -0.003 0.000 0.201 180 L C 2.710 179.508 176.870 -0.121 0.000 1.076 180 L CA 2.125 56.858 54.840 -0.178 0.000 0.755 180 L CB -0.894 41.041 42.059 -0.208 0.000 0.915 180 L HN 0.546 nan 8.230 nan 0.000 0.445 181 T N -4.812 109.692 114.554 -0.084 0.000 3.039 181 T HA 0.245 4.593 4.350 -0.003 0.000 0.250 181 T C 1.429 176.113 174.700 -0.028 0.000 1.052 181 T CA 0.792 62.862 62.100 -0.051 0.000 1.125 181 T CB 0.968 69.816 68.868 -0.034 0.000 0.908 181 T HN 0.459 nan 8.240 nan 0.000 0.473 182 G N 2.194 110.981 108.800 -0.022 0.000 2.284 182 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.216 182 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.216 182 G C -0.016 174.887 174.900 0.006 0.000 1.009 182 G CA -0.056 45.042 45.100 -0.003 0.000 0.625 182 G HN 0.960 nan 8.290 nan 0.000 0.501 183 E N 1.619 121.822 120.200 0.004 0.000 2.406 183 E HA 0.568 4.916 4.350 -0.003 0.000 0.258 183 E C 0.982 177.589 176.600 0.012 0.000 1.043 183 E CA 0.427 56.833 56.400 0.010 0.000 0.929 183 E CB 1.133 30.840 29.700 0.010 0.000 0.969 183 E HN 0.121 nan 8.360 nan 0.000 0.462 184 S N 2.479 118.188 115.700 0.014 0.000 2.507 184 S HA -0.056 4.412 4.470 -0.003 0.000 0.235 184 S C 0.694 175.303 174.600 0.015 0.000 0.988 184 S CA 0.119 58.328 58.200 0.016 0.000 0.944 184 S CB -0.048 63.162 63.200 0.017 0.000 0.762 184 S HN 0.468 nan 8.310 nan 0.000 0.526 185 V N 3.963 123.885 119.914 0.013 0.000 2.458 185 V HA 0.091 4.210 4.120 -0.003 0.000 0.287 185 V C 0.883 176.989 176.094 0.020 0.000 1.009 185 V CA -0.583 61.725 62.300 0.014 0.000 1.091 185 V CB -0.316 31.513 31.823 0.011 0.000 0.960 185 V HN 0.481 nan 8.190 nan 0.000 0.476 186 S N 5.575 121.286 115.700 0.018 0.000 2.584 186 S HA 0.511 4.979 4.470 -0.003 0.000 0.270 186 S C -0.363 174.250 174.600 0.022 0.000 1.346 186 S CA -0.604 57.608 58.200 0.019 0.000 1.018 186 S CB 1.352 64.560 63.200 0.014 0.000 0.899 186 S HN 0.550 nan 8.310 nan 0.000 0.542 187 V N 2.243 122.169 119.914 0.020 0.000 2.914 187 V HA 0.502 4.620 4.120 -0.003 0.000 0.314 187 V C -0.080 176.004 176.094 -0.017 0.000 1.084 187 V CA -1.045 61.265 62.300 0.017 0.000 0.963 187 V CB 1.642 33.487 31.823 0.036 0.000 1.025 187 V HN 0.924 nan 8.190 nan 0.000 0.432 188 I N 2.954 123.496 120.570 -0.047 0.000 2.365 188 I HA 0.403 4.571 4.170 -0.003 0.000 0.291 188 I C -0.013 175.976 176.117 -0.214 0.000 1.004 188 I CA -0.510 60.712 61.300 -0.130 0.000 1.311 188 I CB 1.030 38.936 38.000 -0.158 0.000 1.401 188 I HN 0.442 nan 8.210 nan 0.000 0.491 189 K N 5.663 125.926 120.400 -0.229 0.000 2.164 189 K HA 0.519 4.837 4.320 -0.003 0.000 0.258 189 K C -0.438 175.979 176.600 -0.305 0.000 0.951 189 K CA -0.697 55.468 56.287 -0.203 0.000 0.844 189 K CB 1.811 34.248 32.500 -0.103 0.000 1.099 189 K HN 0.481 nan 8.250 nan 0.000 0.435 190 H N -0.340 118.749 119.070 0.031 0.000 3.513 190 H HA 0.357 4.911 4.556 -0.003 0.000 0.278 190 H C 0.366 175.704 175.328 0.018 0.000 1.683 190 H CA -0.431 55.640 56.048 0.038 0.000 1.552 190 H CB 1.484 31.285 29.762 0.066 0.000 1.474 190 H HN 0.471 nan 8.280 nan 0.000 0.870 191 T N -0.593 114.070 114.554 0.182 0.000 3.010 191 T HA 0.068 4.416 4.350 -0.003 0.000 0.252 191 T C -0.033 174.701 174.700 0.056 0.000 0.963 191 T CA -0.123 62.027 62.100 0.082 0.000 0.952 191 T CB 0.400 69.301 68.868 0.055 0.000 1.182 191 T HN 0.548 nan 8.240 nan 0.000 0.495 192 E N 3.292 123.520 120.200 0.046 0.000 2.425 192 E HA 0.206 4.554 4.350 -0.003 0.000 0.258 192 E C -2.476 174.144 176.600 0.033 0.000 1.151 192 E CA -1.444 54.966 56.400 0.016 0.000 0.958 192 E CB -0.136 29.552 29.700 -0.019 0.000 0.968 192 E HN 0.224 nan 8.360 nan 0.000 0.451 193 P HA 0.097 nan 4.420 nan 0.000 0.278 193 P C -0.789 176.541 177.300 0.051 0.000 1.266 193 P CA -0.573 62.547 63.100 0.033 0.000 0.807 193 P CB 0.845 32.547 31.700 0.004 0.000 1.094 194 V N 2.567 122.537 119.914 0.093 0.000 2.357 194 V HA 0.161 4.279 4.120 -0.003 0.000 0.284 194 V C -1.425 174.729 176.094 0.100 0.000 1.018 194 V CA -1.616 60.757 62.300 0.122 0.000 0.841 194 V CB 1.030 32.977 31.823 0.207 0.000 0.991 194 V HN 0.471 nan 8.190 nan 0.000 0.437 195 P HA -0.162 nan 4.420 nan 0.000 0.212 195 P C 0.576 177.904 177.300 0.047 0.000 1.178 195 P CA 1.027 64.144 63.100 0.029 0.000 0.915 195 P CB 0.086 31.798 31.700 0.021 0.000 0.788 196 D N -0.833 119.616 120.400 0.082 0.000 2.520 196 D HA -0.062 4.576 4.640 -0.003 0.000 0.243 196 D C -1.631 174.780 176.300 0.184 0.000 1.160 196 D CA -0.683 53.378 54.000 0.102 0.000 0.877 196 D CB 0.691 41.547 40.800 0.094 0.000 1.150 196 D HN 0.077 nan 8.370 nan 0.000 0.494 197 P HA 0.067 nan 4.420 nan 0.000 0.230 197 P C 0.484 177.902 177.300 0.197 0.000 1.168 197 P CA 0.588 63.756 63.100 0.113 0.000 0.793 197 P CB 0.373 32.081 31.700 0.014 0.000 0.851 198 R N -0.307 120.269 120.500 0.127 0.000 2.480 198 R HA 0.418 4.756 4.340 -0.003 0.000 0.277 198 R C 0.404 176.742 176.300 0.064 0.000 1.008 198 R CA -0.367 55.785 56.100 0.085 0.000 1.090 198 R CB 0.051 30.383 30.300 0.053 0.000 1.234 198 R HN 0.057 nan 8.270 nan 0.000 0.549 199 A N 1.495 124.363 122.820 0.079 0.000 2.477 199 A HA 0.244 4.562 4.320 -0.003 0.000 0.246 199 A C 0.799 178.345 177.584 -0.063 0.000 1.078 199 A CA -0.472 51.567 52.037 0.004 0.000 0.770 199 A CB 0.260 19.259 19.000 -0.002 0.000 1.011 199 A HN 0.214 nan 8.150 nan 0.000 0.494 200 V N 1.944 121.838 119.914 -0.033 0.000 2.924 200 V HA 0.110 4.229 4.120 -0.003 0.000 0.305 200 V C 1.188 177.251 176.094 -0.052 0.000 1.073 200 V CA -0.275 61.998 62.300 -0.045 0.000 1.098 200 V CB 0.193 32.003 31.823 -0.021 0.000 1.000 200 V HN 0.877 nan 8.190 nan 0.000 0.484 201 N N 1.903 120.556 118.700 -0.077 0.000 2.069 201 N HA -0.301 4.437 4.740 -0.003 0.000 0.196 201 N C 1.668 177.220 175.510 0.070 0.000 1.024 201 N CA 2.348 55.378 53.050 -0.032 0.000 0.869 201 N CB -0.492 37.733 38.487 -0.437 0.000 1.035 201 N HN 0.971 nan 8.380 nan 0.000 0.434 202 Q N 0.444 120.247 119.800 0.006 0.000 2.173 202 Q HA -0.163 4.175 4.340 -0.003 0.000 0.208 202 Q C 0.231 176.274 176.000 0.072 0.000 0.989 202 Q CA 1.703 57.535 55.803 0.048 0.000 0.872 202 Q CB 0.082 28.841 28.738 0.035 0.000 0.909 202 Q HN 0.332 nan 8.270 nan 0.000 0.420 203 D N -0.459 119.970 120.400 0.048 0.000 2.349 203 D HA 0.028 4.667 4.640 -0.003 0.000 0.214 203 D C -0.408 175.916 176.300 0.039 0.000 1.063 203 D CA 0.248 54.274 54.000 0.044 0.000 0.847 203 D CB 0.283 41.102 40.800 0.031 0.000 0.933 203 D HN 0.192 nan 8.370 nan 0.000 0.513 204 K N 1.598 122.024 120.400 0.043 0.000 2.111 204 K HA 0.140 4.458 4.320 -0.003 0.000 0.249 204 K C 0.982 177.605 176.600 0.039 0.000 1.157 204 K CA 0.012 56.305 56.287 0.011 0.000 1.048 204 K CB 0.686 33.206 32.500 0.033 0.000 1.498 204 K HN -0.027 nan 8.250 nan 0.000 0.344 205 K N 1.017 121.450 120.400 0.055 0.000 2.366 205 K HA -0.083 4.235 4.320 -0.003 0.000 0.198 205 K C 0.871 177.489 176.600 0.029 0.000 1.044 205 K CA 0.862 57.183 56.287 0.057 0.000 0.973 205 K CB 0.098 32.669 32.500 0.119 0.000 0.767 205 K HN 0.446 nan 8.250 nan 0.000 0.475 206 N N -0.037 118.679 118.700 0.026 0.000 2.251 206 N HA 0.057 4.795 4.740 -0.003 0.000 0.217 206 N C -0.253 175.218 175.510 -0.065 0.000 1.124 206 N CA -0.116 52.939 53.050 0.010 0.000 0.843 206 N CB 0.245 38.760 38.487 0.048 0.000 1.024 206 N HN -0.100 nan 8.380 nan 0.000 0.501 207 M N 0.623 120.127 119.600 -0.159 0.000 2.528 207 M HA 0.509 4.987 4.480 -0.003 0.000 0.321 207 M C -1.459 174.514 176.300 -0.544 0.000 1.153 207 M CA -0.982 54.106 55.300 -0.353 0.000 0.951 207 M CB 1.990 34.316 32.600 -0.456 0.000 1.705 207 M HN 0.029 nan 8.290 nan 0.000 0.451 208 L N 4.314 125.212 121.223 -0.541 0.000 2.342 208 L HA 0.491 4.829 4.340 -0.003 0.000 0.276 208 L C -1.339 175.258 176.870 -0.455 0.000 0.997 208 L CA -0.535 54.046 54.840 -0.432 0.000 0.838 208 L CB 0.904 42.848 42.059 -0.191 0.000 1.224 208 L HN 0.554 nan 8.230 nan 0.000 0.416 209 F N 1.014 120.949 119.950 -0.025 0.000 2.427 209 F HA 0.141 4.666 4.527 -0.003 0.000 0.352 209 F C 1.229 177.011 175.800 -0.030 0.000 1.100 209 F CA -0.191 57.790 58.000 -0.032 0.000 1.191 209 F CB 1.292 40.264 39.000 -0.046 0.000 1.128 209 F HN 0.361 nan 8.300 nan 0.000 0.533 210 S N 2.272 118.070 115.700 0.164 0.000 2.571 210 S HA 0.399 4.867 4.470 -0.003 0.000 0.297 210 S C 0.890 175.537 174.600 0.079 0.000 1.234 210 S CA 0.797 59.053 58.200 0.093 0.000 1.120 210 S CB -0.521 62.725 63.200 0.077 0.000 0.923 210 S HN 1.085 nan 8.310 nan 0.000 0.504 211 G N 3.420 112.260 108.800 0.067 0.000 2.905 211 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.196 211 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.196 211 G C 0.370 175.282 174.900 0.021 0.000 1.044 211 G CA 0.130 45.249 45.100 0.032 0.000 0.778 211 G HN 1.288 nan 8.290 nan 0.000 0.474 212 T N 0.783 115.359 114.554 0.036 0.000 2.766 212 T HA 0.561 4.909 4.350 -0.003 0.000 0.295 212 T C 0.062 174.790 174.700 0.047 0.000 1.024 212 T CA 0.251 62.375 62.100 0.040 0.000 1.018 212 T CB 1.199 70.116 68.868 0.080 0.000 1.002 212 T HN 0.356 nan 8.240 nan 0.000 0.532 213 N N 0.566 119.291 118.700 0.042 0.000 2.335 213 N HA 0.368 5.106 4.740 -0.003 0.000 0.304 213 N C -0.730 174.795 175.510 0.026 0.000 1.135 213 N CA -0.816 52.256 53.050 0.036 0.000 0.817 213 N CB 1.237 39.747 38.487 0.039 0.000 1.294 213 N HN 0.493 nan 8.380 nan 0.000 0.497 214 I N 1.820 122.401 120.570 0.019 0.000 2.347 214 I HA 0.088 4.256 4.170 -0.003 0.000 0.294 214 I C 1.585 177.710 176.117 0.013 0.000 1.090 214 I CA -0.188 61.119 61.300 0.011 0.000 1.314 214 I CB -0.218 37.787 38.000 0.008 0.000 1.423 214 I HN 0.619 nan 8.210 nan 0.000 0.503 215 A N 6.192 129.019 122.820 0.012 0.000 1.835 215 A HA 0.277 4.595 4.320 -0.003 0.000 0.215 215 A C 1.086 178.677 177.584 0.011 0.000 1.199 215 A CA 1.405 53.450 52.037 0.013 0.000 0.615 215 A CB -0.038 18.970 19.000 0.012 0.000 0.838 215 A HN 0.746 nan 8.150 nan 0.000 0.444 216 A N -2.487 120.337 122.820 0.007 0.000 2.427 216 A HA 0.661 4.980 4.320 -0.003 0.000 0.298 216 A C 0.220 177.806 177.584 0.004 0.000 1.036 216 A CA 0.233 52.275 52.037 0.007 0.000 0.701 216 A CB 0.648 19.653 19.000 0.009 0.000 1.250 216 A HN 2.274 nan 8.150 nan 0.000 0.412 217 G N 0.565 109.369 108.800 0.007 0.000 2.331 217 G HA2 0.404 4.362 3.960 -0.003 0.000 0.479 217 G HA3 0.404 4.362 3.960 -0.003 0.000 0.479 217 G C -0.854 174.050 174.900 0.008 0.000 1.262 217 G CA -0.212 44.892 45.100 0.006 0.000 1.029 217 G HN 1.340 nan 8.290 nan 0.000 0.487 218 K N -0.690 119.715 120.400 0.008 0.000 2.570 218 K HA 0.724 5.042 4.320 -0.003 0.000 0.256 218 K C -0.643 175.964 176.600 0.011 0.000 0.939 218 K CA 0.021 56.316 56.287 0.013 0.000 0.833 218 K CB 1.474 33.986 32.500 0.019 0.000 1.318 218 K HN 2.129 nan 8.250 nan 0.000 0.433 219 A N 2.817 125.645 122.820 0.013 0.000 2.593 219 A HA 0.774 5.092 4.320 -0.003 0.000 0.290 219 A C -2.204 175.391 177.584 0.019 0.000 1.126 219 A CA -0.748 51.294 52.037 0.009 0.000 0.695 219 A CB 1.583 20.581 19.000 -0.003 0.000 1.290 219 A HN 0.525 nan 8.150 nan 0.000 0.414 220 L N 0.026 121.256 121.223 0.011 0.000 2.362 220 L HA 0.894 5.232 4.340 -0.003 0.000 0.271 220 L C 0.244 177.116 176.870 0.004 0.000 1.002 220 L CA 0.497 55.348 54.840 0.019 0.000 0.818 220 L CB 1.992 44.048 42.059 -0.005 0.000 1.298 220 L HN 1.281 nan 8.230 nan 0.000 0.420 221 G N 3.633 112.437 108.800 0.007 0.000 2.684 221 G HA2 0.498 4.456 3.960 -0.003 0.000 0.290 221 G HA3 0.498 4.456 3.960 -0.003 0.000 0.290 221 G C -2.015 172.872 174.900 -0.020 0.000 1.425 221 G CA -0.581 44.511 45.100 -0.013 0.000 0.822 221 G HN 0.734 nan 8.290 nan 0.000 0.482 222 I N 1.024 121.569 120.570 -0.041 0.000 2.378 222 I HA 0.506 4.674 4.170 -0.003 0.000 0.291 222 I C -0.215 175.815 176.117 -0.145 0.000 0.992 222 I CA -0.921 60.330 61.300 -0.081 0.000 1.154 222 I CB 1.607 39.574 38.000 -0.055 0.000 1.315 222 I HN 0.232 nan 8.210 nan 0.000 0.448 223 V N 8.607 128.397 119.914 -0.208 0.000 2.493 223 V HA 0.035 4.153 4.120 -0.003 0.000 0.292 223 V C 1.119 176.991 176.094 -0.369 0.000 1.016 223 V CA 0.955 63.113 62.300 -0.237 0.000 1.097 223 V CB 0.599 32.295 31.823 -0.212 0.000 0.947 223 V HN 0.998 nan 8.190 nan 0.000 0.479 224 A N 5.128 127.838 122.820 -0.184 0.000 1.884 224 A HA 0.243 4.561 4.320 -0.003 0.000 0.212 224 A C 1.074 178.638 177.584 -0.034 0.000 1.265 224 A CA 1.104 53.103 52.037 -0.062 0.000 0.626 224 A CB 0.014 19.021 19.000 0.012 0.000 0.943 224 A HN 0.796 nan 8.150 nan 0.000 0.466 225 T N -3.990 110.534 114.554 -0.049 0.000 2.907 225 T HA 0.606 4.954 4.350 -0.003 0.000 0.292 225 T C -0.399 174.274 174.700 -0.045 0.000 1.043 225 T CA -0.066 62.003 62.100 -0.051 0.000 1.003 225 T CB 1.775 70.644 68.868 0.002 0.000 1.084 225 T HN 0.210 nan 8.240 nan 0.000 0.483 226 T N -0.690 113.841 114.554 -0.039 0.000 2.718 226 T HA 0.685 5.034 4.350 -0.003 0.000 0.267 226 T C 1.394 176.119 174.700 0.040 0.000 0.957 226 T CA 0.660 62.762 62.100 0.004 0.000 1.025 226 T CB 0.618 69.492 68.868 0.009 0.000 1.355 226 T HN 1.345 nan 8.240 nan 0.000 0.572 227 G N 0.773 109.609 108.800 0.061 0.000 2.699 227 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.408 227 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.408 227 G C 1.291 176.227 174.900 0.059 0.000 1.112 227 G CA 1.263 46.405 45.100 0.069 0.000 0.885 227 G HN 0.880 nan 8.290 nan 0.000 0.690 228 V N 1.077 121.026 119.914 0.059 0.000 3.306 228 V HA 0.018 4.136 4.120 -0.003 0.000 0.264 228 V C 2.734 178.855 176.094 0.044 0.000 1.149 228 V CA 2.329 64.658 62.300 0.049 0.000 1.143 228 V CB 0.289 32.141 31.823 0.048 0.000 0.767 228 V HN 0.597 nan 8.190 nan 0.000 0.476 229 S N -1.204 114.525 115.700 0.049 0.000 2.496 229 S HA -0.032 4.436 4.470 -0.003 0.000 0.224 229 S C 1.192 175.817 174.600 0.042 0.000 0.996 229 S CA 0.637 58.863 58.200 0.044 0.000 0.927 229 S CB -0.090 63.137 63.200 0.045 0.000 0.774 229 S HN 0.645 nan 8.310 nan 0.000 0.524 230 T N 1.556 116.137 114.554 0.046 0.000 2.898 230 T HA 0.072 4.420 4.350 -0.003 0.000 0.301 230 T C 1.282 176.015 174.700 0.056 0.000 1.049 230 T CA -0.354 61.783 62.100 0.063 0.000 1.095 230 T CB 0.462 69.369 68.868 0.066 0.000 0.976 230 T HN -0.016 nan 8.240 nan 0.000 0.539 231 E N 2.443 122.692 120.200 0.081 0.000 2.113 231 E HA -0.176 4.173 4.350 -0.003 0.000 0.210 231 E C 1.870 178.443 176.600 -0.044 0.000 1.040 231 E CA 1.664 58.063 56.400 -0.001 0.000 0.847 231 E CB -0.325 29.329 29.700 -0.077 0.000 0.755 231 E HN 0.751 nan 8.360 nan 0.000 0.459 232 I N 0.004 120.560 120.570 -0.023 0.000 2.546 232 I HA -0.125 4.043 4.170 -0.003 0.000 0.255 232 I C 2.167 178.284 176.117 -0.001 0.000 1.163 232 I CA 0.933 62.212 61.300 -0.035 0.000 1.457 232 I CB -0.171 37.811 38.000 -0.029 0.000 1.092 232 I HN 0.109 nan 8.210 nan 0.000 0.434 233 G N 0.553 109.364 108.800 0.019 0.000 2.443 233 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.219 233 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.219 233 G C 1.686 176.595 174.900 0.016 0.000 1.131 233 G CA 0.322 45.438 45.100 0.027 0.000 0.775 233 G HN 0.296 nan 8.290 nan 0.000 0.547 234 K N 0.131 120.534 120.400 0.005 0.000 2.001 234 K HA 0.041 4.359 4.320 -0.003 0.000 0.208 234 K C 2.390 178.983 176.600 -0.011 0.000 1.048 234 K CA 0.871 57.156 56.287 -0.003 0.000 0.932 234 K CB -0.335 32.157 32.500 -0.013 0.000 0.715 234 K HN 0.282 nan 8.250 nan 0.000 0.437 235 I N 1.274 121.831 120.570 -0.022 0.000 2.087 235 I HA -0.377 3.791 4.170 -0.003 0.000 0.240 235 I C 2.830 178.943 176.117 -0.007 0.000 1.054 235 I CA 1.436 62.722 61.300 -0.024 0.000 1.311 235 I CB -0.426 37.553 38.000 -0.036 0.000 1.024 235 I HN 0.266 nan 8.210 nan 0.000 0.402 236 R N 0.904 121.407 120.500 0.006 0.000 2.133 236 R HA -0.252 4.086 4.340 -0.003 0.000 0.247 236 R C 1.774 178.080 176.300 0.009 0.000 1.151 236 R CA 2.290 58.399 56.100 0.015 0.000 0.971 236 R CB -0.390 29.926 30.300 0.026 0.000 0.866 236 R HN 0.439 nan 8.270 nan 0.000 0.447 237 D N 0.229 120.634 120.400 0.007 0.000 2.097 237 D HA -0.154 4.484 4.640 -0.003 0.000 0.197 237 D C 2.056 178.354 176.300 -0.003 0.000 0.984 237 D CA 1.161 55.164 54.000 0.005 0.000 0.826 237 D CB -0.252 40.551 40.800 0.006 0.000 0.973 237 D HN 0.428 nan 8.370 nan 0.000 0.460 238 Q N -0.045 119.750 119.800 -0.009 0.000 2.061 238 Q HA -0.096 4.242 4.340 -0.003 0.000 0.204 238 Q C 2.326 178.317 176.000 -0.014 0.000 0.984 238 Q CA 1.135 56.928 55.803 -0.017 0.000 0.846 238 Q CB -0.132 28.591 28.738 -0.025 0.000 0.902 238 Q HN 0.322 nan 8.270 nan 0.000 0.421 239 M N -0.473 119.121 119.600 -0.010 0.000 2.374 239 M HA -0.104 4.375 4.480 -0.003 0.000 0.264 239 M C 2.080 178.378 176.300 -0.004 0.000 1.067 239 M CA 1.138 56.434 55.300 -0.007 0.000 1.103 239 M CB -0.052 32.548 32.600 -0.001 0.000 1.402 239 M HN 0.214 nan 8.290 nan 0.000 0.444 240 A N -0.068 122.751 122.820 -0.002 0.000 1.984 240 A HA 0.255 4.574 4.320 -0.003 0.000 0.214 240 A C 2.311 179.893 177.584 -0.004 0.000 1.173 240 A CA 1.095 53.132 52.037 -0.000 0.000 0.673 240 A CB -0.524 18.479 19.000 0.004 0.000 0.830 240 A HN 0.418 nan 8.150 nan 0.000 0.453 241 A N -0.777 122.040 122.820 -0.006 0.000 1.969 241 A HA 0.060 4.378 4.320 -0.003 0.000 0.218 241 A C 1.611 179.187 177.584 -0.013 0.000 1.169 241 A CA 1.562 53.593 52.037 -0.009 0.000 0.635 241 A CB -0.940 18.052 19.000 -0.012 0.000 0.810 241 A HN 0.382 nan 8.150 nan 0.000 0.445 242 T N 0.547 115.093 114.554 -0.015 0.000 2.834 242 T HA 0.334 4.682 4.350 -0.003 0.000 0.298 242 T C -0.431 174.261 174.700 -0.014 0.000 0.966 242 T CA -0.114 61.975 62.100 -0.017 0.000 1.141 242 T CB 0.292 69.148 68.868 -0.019 0.000 0.905 242 T HN 0.390 nan 8.240 nan 0.000 0.535 243 E N 4.037 124.228 120.200 -0.015 0.000 2.158 243 E HA 0.317 4.666 4.350 -0.003 0.000 0.271 243 E C -0.655 175.937 176.600 -0.013 0.000 0.911 243 E CA -0.850 55.543 56.400 -0.012 0.000 0.767 243 E CB 0.804 30.497 29.700 -0.012 0.000 1.120 243 E HN 0.590 nan 8.360 nan 0.000 0.405 244 Q N 3.843 123.637 119.800 -0.011 0.000 2.290 244 Q HA 0.363 4.701 4.340 -0.003 0.000 0.259 244 Q C -0.583 175.411 176.000 -0.009 0.000 0.941 244 Q CA -0.522 55.275 55.803 -0.011 0.000 0.912 244 Q CB 1.112 29.844 28.738 -0.010 0.000 1.244 244 Q HN 0.479 nan 8.270 nan 0.000 0.441 245 D N 2.149 122.544 120.400 -0.010 0.000 2.369 245 D HA 0.103 4.741 4.640 -0.003 0.000 0.241 245 D C -0.144 176.151 176.300 -0.008 0.000 1.271 245 D CA 0.030 54.025 54.000 -0.008 0.000 0.942 245 D CB 0.923 41.718 40.800 -0.008 0.000 1.129 245 D HN 0.420 nan 8.370 nan 0.000 0.476 246 K N 0.059 120.455 120.400 -0.007 0.000 2.118 246 K HA 0.174 4.492 4.320 -0.003 0.000 0.264 246 K C 0.187 176.780 176.600 -0.011 0.000 1.000 246 K CA -0.379 55.905 56.287 -0.006 0.000 0.929 246 K CB 0.771 33.271 32.500 -0.001 0.000 1.021 246 K HN 0.190 nan 8.250 nan 0.000 0.463 247 T N 3.766 118.312 114.554 -0.013 0.000 2.934 247 T HA -0.004 4.344 4.350 -0.003 0.000 0.306 247 T C -1.205 173.479 174.700 -0.028 0.000 1.042 247 T CA -1.330 60.754 62.100 -0.026 0.000 1.145 247 T CB 0.436 69.290 68.868 -0.022 0.000 0.982 247 T HN 0.437 nan 8.240 nan 0.000 0.544 248 P HA -0.142 nan 4.420 nan 0.000 0.218 248 P C 1.574 178.861 177.300 -0.022 0.000 1.146 248 P CA 0.713 63.788 63.100 -0.041 0.000 0.813 248 P CB 0.162 31.818 31.700 -0.073 0.000 0.778 249 L N 0.445 121.650 121.223 -0.029 0.000 2.027 249 L HA -0.132 4.206 4.340 -0.003 0.000 0.206 249 L C 2.632 179.519 176.870 0.028 0.000 1.074 249 L CA 1.858 56.709 54.840 0.019 0.000 0.745 249 L CB -1.652 40.431 42.059 0.039 0.000 0.898 249 L HN -0.113 nan 8.230 nan 0.000 0.433 250 Q N -0.937 118.874 119.800 0.018 0.000 2.181 250 Q HA -0.281 4.058 4.340 -0.003 0.000 0.205 250 Q C 2.190 178.206 176.000 0.026 0.000 0.980 250 Q CA 1.841 57.657 55.803 0.023 0.000 0.862 250 Q CB -0.236 28.509 28.738 0.013 0.000 0.905 250 Q HN 0.666 nan 8.270 nan 0.000 0.429 251 Q N 1.105 120.917 119.800 0.020 0.000 1.941 251 Q HA -0.142 4.196 4.340 -0.003 0.000 0.201 251 Q C 1.900 177.926 176.000 0.043 0.000 0.982 251 Q CA 1.253 57.071 55.803 0.024 0.000 0.839 251 Q CB 0.147 28.894 28.738 0.015 0.000 0.904 251 Q HN 0.193 nan 8.270 nan 0.000 0.427 252 K N 0.209 120.636 120.400 0.045 0.000 2.144 252 K HA -0.224 4.094 4.320 -0.003 0.000 0.209 252 K C 2.085 178.740 176.600 0.092 0.000 1.047 252 K CA 1.453 57.778 56.287 0.063 0.000 0.927 252 K CB -0.316 32.217 32.500 0.055 0.000 0.716 252 K HN 0.263 nan 8.250 nan 0.000 0.454 253 L N 0.881 122.153 121.223 0.082 0.000 2.023 253 L HA -0.178 4.160 4.340 -0.003 0.000 0.205 253 L C 2.047 179.010 176.870 0.155 0.000 1.073 253 L CA 1.084 55.999 54.840 0.125 0.000 0.745 253 L CB -0.580 41.529 42.059 0.082 0.000 0.900 253 L HN 0.143 nan 8.230 nan 0.000 0.435 254 D N 0.136 120.588 120.400 0.087 0.000 2.158 254 D HA -0.262 4.376 4.640 -0.003 0.000 0.197 254 D C 2.002 178.339 176.300 0.061 0.000 0.995 254 D CA 1.468 55.502 54.000 0.057 0.000 0.846 254 D CB -0.091 40.728 40.800 0.031 0.000 0.941 254 D HN 0.445 nan 8.370 nan 0.000 0.456 255 E N -0.395 119.854 120.200 0.083 0.000 2.153 255 E HA -0.182 4.166 4.350 -0.003 0.000 0.194 255 E C 2.007 178.677 176.600 0.117 0.000 0.988 255 E CA 0.420 56.869 56.400 0.082 0.000 0.811 255 E CB -0.142 29.611 29.700 0.088 0.000 0.746 255 E HN 0.180 nan 8.360 nan 0.000 0.466 256 F N 1.059 121.008 119.950 -0.000 0.000 2.084 256 F HA 0.019 4.544 4.527 -0.003 0.000 0.296 256 F C 2.130 177.920 175.800 -0.017 0.000 1.111 256 F CA 2.059 60.055 58.000 -0.006 0.000 1.224 256 F CB -0.908 38.085 39.000 -0.012 0.000 0.991 256 F HN 0.039 nan 8.300 nan 0.000 0.471 257 G N 0.137 108.841 108.800 -0.161 0.000 2.440 257 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.218 257 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.218 257 G C 1.537 176.305 174.900 -0.219 0.000 1.154 257 G CA 0.908 45.847 45.100 -0.268 0.000 0.767 257 G HN 0.360 nan 8.290 nan 0.000 0.552 258 E N 0.351 120.481 120.200 -0.118 0.000 2.097 258 E HA -0.141 4.207 4.350 -0.003 0.000 0.196 258 E C 2.654 179.190 176.600 -0.106 0.000 1.000 258 E CA 1.031 57.380 56.400 -0.084 0.000 0.804 258 E CB -0.171 29.507 29.700 -0.036 0.000 0.740 258 E HN 0.436 nan 8.360 nan 0.000 0.454 259 Q N -0.055 119.666 119.800 -0.132 0.000 2.107 259 Q HA 0.004 4.342 4.340 -0.003 0.000 0.195 259 Q C 2.421 178.292 176.000 -0.215 0.000 0.964 259 Q CA 0.141 55.870 55.803 -0.124 0.000 0.833 259 Q CB -0.622 28.083 28.738 -0.055 0.000 0.910 259 Q HN 0.187 nan 8.270 nan 0.000 0.465 260 L N 1.246 122.210 121.223 -0.430 0.000 2.085 260 L HA -0.273 4.065 4.340 -0.003 0.000 0.218 260 L C 2.430 179.134 176.870 -0.277 0.000 1.080 260 L CA 2.256 56.794 54.840 -0.502 0.000 0.776 260 L CB -0.916 40.637 42.059 -0.843 0.000 0.891 260 L HN 0.199 nan 8.230 nan 0.000 0.437 261 S N -1.206 114.358 115.700 -0.228 0.000 2.345 261 S HA -0.213 4.255 4.470 -0.003 0.000 0.220 261 S C 2.065 176.599 174.600 -0.110 0.000 1.031 261 S CA 1.489 59.599 58.200 -0.149 0.000 0.996 261 S CB -0.199 62.926 63.200 -0.125 0.000 0.882 261 S HN 0.554 nan 8.310 nan 0.000 0.445 262 K N 0.376 120.718 120.400 -0.097 0.000 2.032 262 K HA -0.061 4.258 4.320 -0.003 0.000 0.209 262 K C 2.113 178.675 176.600 -0.065 0.000 1.048 262 K CA 1.543 57.790 56.287 -0.068 0.000 0.927 262 K CB -0.581 31.888 32.500 -0.052 0.000 0.712 262 K HN 0.260 nan 8.250 nan 0.000 0.441 263 V N 2.167 122.034 119.914 -0.077 0.000 2.255 263 V HA -0.292 3.826 4.120 -0.003 0.000 0.247 263 V C 2.264 178.313 176.094 -0.074 0.000 1.051 263 V CA 1.788 64.044 62.300 -0.072 0.000 1.018 263 V CB -0.428 31.347 31.823 -0.081 0.000 0.641 263 V HN 0.293 nan 8.190 nan 0.000 0.445 264 I N 1.064 121.583 120.570 -0.085 0.000 2.091 264 I HA -0.361 3.807 4.170 -0.003 0.000 0.240 264 I C 2.712 178.800 176.117 -0.049 0.000 1.046 264 I CA 2.362 63.619 61.300 -0.071 0.000 1.306 264 I CB -0.707 37.243 38.000 -0.083 0.000 1.018 264 I HN 0.547 nan 8.210 nan 0.000 0.404 265 S N 0.988 116.658 115.700 -0.051 0.000 2.399 265 S HA -0.143 4.325 4.470 -0.003 0.000 0.231 265 S C 1.958 176.544 174.600 -0.023 0.000 1.022 265 S CA 1.009 59.186 58.200 -0.038 0.000 0.983 265 S CB -0.828 62.345 63.200 -0.044 0.000 0.803 265 S HN 0.424 nan 8.310 nan 0.000 0.480 266 L N 0.638 121.844 121.223 -0.028 0.000 2.056 266 L HA 0.022 4.360 4.340 -0.003 0.000 0.207 266 L C 2.647 179.515 176.870 -0.003 0.000 1.078 266 L CA 1.198 56.029 54.840 -0.015 0.000 0.749 266 L CB -0.558 41.485 42.059 -0.028 0.000 0.901 266 L HN 0.309 nan 8.230 nan 0.000 0.433 267 I N -0.626 119.928 120.570 -0.027 0.000 2.163 267 I HA -0.370 3.798 4.170 -0.003 0.000 0.243 267 I C 2.674 178.837 176.117 0.077 0.000 1.085 267 I CA 1.289 62.580 61.300 -0.015 0.000 1.347 267 I CB -0.438 37.536 38.000 -0.042 0.000 1.044 267 I HN 0.412 nan 8.210 nan 0.000 0.408 268 C N 0.115 119.448 119.300 0.054 0.000 2.413 268 C HA -0.133 4.325 4.460 -0.003 0.000 0.277 268 C C 2.873 177.932 174.990 0.116 0.000 1.265 268 C CA 0.557 59.617 59.018 0.070 0.000 1.752 268 C CB -0.920 26.837 27.740 0.029 0.000 1.998 268 C HN 0.374 nan 8.230 nan 0.000 0.489 269 V N 1.357 121.330 119.914 0.099 0.000 2.307 269 V HA -0.186 3.932 4.120 -0.003 0.000 0.245 269 V C 2.714 178.956 176.094 0.246 0.000 1.045 269 V CA 2.189 64.584 62.300 0.158 0.000 1.024 269 V CB -1.367 30.512 31.823 0.094 0.000 0.651 269 V HN 0.596 nan 8.190 nan 0.000 0.449 270 A N 0.046 122.973 122.820 0.178 0.000 1.845 270 A HA -0.179 4.140 4.320 -0.003 0.000 0.215 270 A C 2.422 180.152 177.584 0.244 0.000 1.195 270 A CA 2.192 54.350 52.037 0.201 0.000 0.616 270 A CB -0.965 18.138 19.000 0.171 0.000 0.832 270 A HN 0.272 nan 8.150 nan 0.000 0.443 271 V N -1.680 118.396 119.914 0.270 0.000 2.236 271 V HA -0.350 3.768 4.120 -0.003 0.000 0.255 271 V C 2.235 178.404 176.094 0.125 0.000 1.068 271 V CA 2.566 64.986 62.300 0.200 0.000 1.044 271 V CB -1.112 30.796 31.823 0.141 0.000 0.653 271 V HN 0.883 nan 8.190 nan 0.000 0.448 272 W N 0.263 121.537 121.300 -0.044 0.000 2.325 272 W HA -0.204 4.455 4.660 -0.003 0.000 0.299 272 W C 2.105 178.668 176.519 0.073 0.000 1.215 272 W CA 1.886 59.206 57.345 -0.041 0.000 1.244 272 W CB -0.294 29.161 29.460 -0.008 0.000 1.140 272 W HN 0.220 nan 8.180 nan 0.000 0.523 273 L N 0.258 121.481 121.223 -0.000 0.000 2.217 273 L HA -0.191 4.147 4.340 -0.003 0.000 0.211 273 L C 2.127 178.921 176.870 -0.126 0.000 1.107 273 L CA 0.363 55.087 54.840 -0.192 0.000 0.783 273 L CB -0.688 41.384 42.059 0.022 0.000 0.919 273 L HN -0.023 nan 8.230 nan 0.000 0.442 274 I N -0.596 119.960 120.570 -0.023 0.000 2.617 274 I HA -0.114 4.054 4.170 -0.003 0.000 0.256 274 I C 0.737 176.840 176.117 -0.022 0.000 1.167 274 I CA 1.037 62.334 61.300 -0.004 0.000 1.469 274 I CB -0.812 37.206 38.000 0.030 0.000 1.098 274 I HN 0.269 nan 8.210 nan 0.000 0.436 275 N N 0.589 119.278 118.700 -0.017 0.000 2.660 275 N HA 0.163 4.901 4.740 -0.003 0.000 0.316 275 N C 0.854 176.371 175.510 0.013 0.000 1.774 275 N CA 0.032 53.122 53.050 0.067 0.000 0.946 275 N CB 1.319 40.021 38.487 0.357 0.000 1.322 275 N HN 0.137 nan 8.380 nan 0.000 0.492 276 I N -0.540 119.938 120.570 -0.154 0.000 3.956 276 I HA 0.240 4.409 4.170 -0.003 0.000 0.333 276 I C 1.795 177.917 176.117 0.008 0.000 1.302 276 I CA 0.157 61.362 61.300 -0.159 0.000 1.122 276 I CB 0.235 37.991 38.000 -0.407 0.000 1.013 276 I HN 0.189 nan 8.210 nan 0.000 0.405 277 G N -0.161 108.560 108.800 -0.132 0.000 2.471 277 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.219 277 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.219 277 G C 1.287 176.101 174.900 -0.144 0.000 1.125 277 G CA 0.422 45.433 45.100 -0.148 0.000 0.775 277 G HN 0.514 nan 8.290 nan 0.000 0.548 278 H N -0.595 118.449 119.070 -0.043 0.000 2.570 278 H HA 0.053 4.607 4.556 -0.003 0.000 0.280 278 H C 0.974 176.121 175.328 -0.302 0.000 1.038 278 H CA 0.394 56.343 56.048 -0.165 0.000 1.186 278 H CB -0.095 29.531 29.762 -0.227 0.000 1.339 278 H HN 0.450 nan 8.280 nan 0.000 0.615 279 F N 0.369 120.369 119.950 0.084 0.000 2.720 279 F HA 0.038 4.563 4.527 -0.003 0.000 0.301 279 F C 1.787 177.616 175.800 0.049 0.000 1.103 279 F CA -0.006 58.041 58.000 0.078 0.000 1.291 279 F CB 0.510 39.546 39.000 0.060 0.000 1.086 279 F HN 0.188 nan 8.300 nan 0.000 0.592 280 N N -1.208 117.581 118.700 0.149 0.000 2.159 280 N HA -0.017 4.721 4.740 -0.003 0.000 0.217 280 N C 0.517 176.054 175.510 0.045 0.000 1.223 280 N CA 0.702 53.807 53.050 0.092 0.000 0.896 280 N CB -0.073 38.456 38.487 0.070 0.000 1.064 280 N HN 0.327 nan 8.380 nan 0.000 0.518 281 D N 0.130 120.544 120.400 0.022 0.000 2.457 281 D HA 0.168 4.807 4.640 -0.003 0.000 0.254 281 D C -1.765 174.537 176.300 0.003 0.000 1.097 281 D CA -0.116 53.883 54.000 -0.001 0.000 0.870 281 D CB -1.502 39.276 40.800 -0.037 0.000 1.253 281 D HN -0.004 nan 8.370 nan 0.000 0.500 282 P HA 0.006 nan 4.420 nan 0.000 0.260 282 P C 0.775 178.069 177.300 -0.010 0.000 1.172 282 P CA 0.077 63.188 63.100 0.020 0.000 0.760 282 P CB 1.211 32.934 31.700 0.039 0.000 0.773 283 V N 3.306 123.165 119.914 -0.091 0.000 3.570 283 V HA -0.094 4.024 4.120 -0.003 0.000 0.293 283 V C 0.736 176.461 176.094 -0.616 0.000 1.237 283 V CA 0.605 62.742 62.300 -0.272 0.000 1.226 283 V CB -2.699 28.985 31.823 -0.232 0.000 1.028 283 V HN 0.919 nan 8.190 nan 0.000 0.430 284 H N -1.308 117.774 119.070 0.020 0.000 2.484 284 H HA -0.123 4.431 4.556 -0.003 0.000 0.321 284 H C 0.390 175.744 175.328 0.043 0.000 1.065 284 H CA 0.577 56.631 56.048 0.010 0.000 1.118 284 H CB -1.724 28.024 29.762 -0.022 0.000 1.511 284 H HN 0.481 nan 8.280 nan 0.000 0.403 285 G N -1.202 107.598 108.800 0.000 0.000 2.887 285 G HA2 0.625 4.583 3.960 -0.003 0.000 0.277 285 G HA3 0.625 4.583 3.960 -0.003 0.000 0.277 285 G C 0.341 175.455 174.900 0.357 0.000 1.346 285 G CA -0.788 44.374 45.100 0.103 0.000 1.058 285 G HN 0.761 nan 8.290 nan 0.000 0.535 286 G N -1.427 107.551 108.800 0.296 0.000 2.403 286 G HA2 0.493 4.451 3.960 -0.003 0.000 0.259 286 G HA3 0.493 4.451 3.960 -0.003 0.000 0.259 286 G C 0.692 175.481 174.900 -0.184 0.000 1.244 286 G CA 1.108 46.278 45.100 0.118 0.000 0.849 286 G HN 1.908 nan 8.290 nan 0.000 0.532 287 S N -0.568 114.821 115.700 -0.518 0.000 2.211 287 S HA -0.183 4.285 4.470 -0.003 0.000 0.245 287 S C 0.862 175.232 174.600 -0.383 0.000 1.509 287 S CA 0.751 58.684 58.200 -0.443 0.000 0.986 287 S CB -2.331 60.710 63.200 -0.264 0.000 1.296 287 S HN 1.665 nan 8.310 nan 0.000 0.726 288 W N 3.135 124.366 121.300 -0.114 0.000 2.425 288 W HA 0.388 5.046 4.660 -0.003 0.000 0.277 288 W C 1.052 177.494 176.519 -0.129 0.000 1.231 288 W CA 1.198 58.466 57.345 -0.128 0.000 1.248 288 W CB -0.680 28.731 29.460 -0.082 0.000 1.117 288 W HN 0.570 nan 8.180 nan 0.000 0.568 289 I N -1.248 119.027 120.570 -0.493 0.000 3.856 289 I HA 0.434 4.602 4.170 -0.003 0.000 0.330 289 I C 1.503 177.473 176.117 -0.245 0.000 1.546 289 I CA -0.208 60.959 61.300 -0.221 0.000 1.132 289 I CB 0.049 38.001 38.000 -0.080 0.000 1.157 289 I HN 0.079 nan 8.210 nan 0.000 0.440 290 R N 0.655 120.974 120.500 -0.303 0.000 2.509 290 R HA 0.386 4.724 4.340 -0.003 0.000 0.297 290 R C 1.426 177.586 176.300 -0.233 0.000 0.951 290 R CA 0.575 56.537 56.100 -0.230 0.000 1.103 290 R CB 0.544 30.684 30.300 -0.268 0.000 1.283 290 R HN 0.463 nan 8.270 nan 0.000 0.534 291 G N -0.580 108.055 108.800 -0.275 0.000 2.724 291 G HA2 0.037 3.995 3.960 -0.003 0.000 0.205 291 G HA3 0.037 3.995 3.960 -0.003 0.000 0.205 291 G C 1.230 175.906 174.900 -0.373 0.000 1.112 291 G CA 0.545 45.423 45.100 -0.371 0.000 0.793 291 G HN 0.246 nan 8.290 nan 0.000 0.526 292 A N 1.209 123.870 122.820 -0.266 0.000 1.873 292 A HA 0.085 4.404 4.320 -0.003 0.000 0.215 292 A C 2.255 179.690 177.584 -0.249 0.000 1.186 292 A CA 1.249 53.113 52.037 -0.287 0.000 0.616 292 A CB -0.503 18.326 19.000 -0.285 0.000 0.823 292 A HN 0.381 nan 8.150 nan 0.000 0.442 293 I N -1.647 118.853 120.570 -0.116 0.000 2.399 293 I HA -0.293 3.876 4.170 -0.003 0.000 0.254 293 I C 2.237 178.438 176.117 0.139 0.000 1.146 293 I CA 1.933 63.259 61.300 0.043 0.000 1.412 293 I CB -0.169 37.879 38.000 0.081 0.000 1.076 293 I HN 0.546 nan 8.210 nan 0.000 0.432 294 Y N 1.233 121.487 120.300 -0.077 0.000 2.092 294 Y HA -0.306 4.243 4.550 -0.003 0.000 0.282 294 Y C 2.185 178.176 175.900 0.152 0.000 1.126 294 Y CA 1.871 59.955 58.100 -0.027 0.000 1.111 294 Y CB -0.973 37.361 38.460 -0.210 0.000 0.987 294 Y HN 0.182 nan 8.280 nan 0.000 0.489 295 Y N -1.002 119.357 120.300 0.099 0.000 2.384 295 Y HA -0.227 4.321 4.550 -0.003 0.000 0.289 295 Y C 2.219 178.266 175.900 0.245 0.000 1.152 295 Y CA 0.719 58.864 58.100 0.076 0.000 1.258 295 Y CB -1.120 37.444 38.460 0.173 0.000 0.979 295 Y HN 0.191 nan 8.280 nan 0.000 0.549 296 F N 0.585 120.615 119.950 0.134 0.000 2.147 296 F HA -0.042 4.484 4.527 -0.003 0.000 0.291 296 F C 2.304 178.116 175.800 0.020 0.000 1.093 296 F CA 1.255 59.294 58.000 0.065 0.000 1.263 296 F CB -0.910 38.116 39.000 0.044 0.000 1.036 296 F HN 0.071 nan 8.300 nan 0.000 0.481 297 K N 0.419 120.951 120.400 0.220 0.000 2.362 297 K HA -0.122 4.197 4.320 -0.003 0.000 0.200 297 K C 1.942 178.565 176.600 0.039 0.000 1.046 297 K CA 1.471 57.821 56.287 0.105 0.000 0.952 297 K CB -0.628 31.939 32.500 0.111 0.000 0.753 297 K HN 0.363 nan 8.250 nan 0.000 0.466 298 I N 0.698 121.268 120.570 -0.001 0.000 3.059 298 I HA -0.070 4.098 4.170 -0.003 0.000 0.270 298 I C 2.125 178.235 176.117 -0.012 0.000 1.238 298 I CA 0.327 61.587 61.300 -0.067 0.000 1.478 298 I CB 0.060 37.917 38.000 -0.238 0.000 1.097 298 I HN 0.336 nan 8.210 nan 0.000 0.455 299 A N 0.459 123.292 122.820 0.022 0.000 1.840 299 A HA -0.165 4.153 4.320 -0.003 0.000 0.214 299 A C 2.268 179.837 177.584 -0.025 0.000 1.198 299 A CA 1.769 53.806 52.037 0.000 0.000 0.608 299 A CB -1.162 17.825 19.000 -0.021 0.000 0.839 299 A HN 0.365 nan 8.150 nan 0.000 0.443 300 V N -1.966 117.929 119.914 -0.032 0.000 2.568 300 V HA -0.124 3.994 4.120 -0.003 0.000 0.253 300 V C 2.398 178.480 176.094 -0.020 0.000 1.072 300 V CA 1.974 64.254 62.300 -0.034 0.000 1.084 300 V CB -1.563 30.243 31.823 -0.028 0.000 0.676 300 V HN 0.541 nan 8.190 nan 0.000 0.469 301 A N 0.861 123.675 122.820 -0.010 0.000 1.841 301 A HA -0.092 4.226 4.320 -0.003 0.000 0.214 301 A C 2.168 179.747 177.584 -0.009 0.000 1.195 301 A CA 1.926 53.961 52.037 -0.005 0.000 0.611 301 A CB -0.863 18.135 19.000 -0.003 0.000 0.835 301 A HN 0.599 nan 8.150 nan 0.000 0.443 302 L N -0.122 121.097 121.223 -0.007 0.000 2.064 302 L HA -0.252 4.087 4.340 -0.003 0.000 0.216 302 L C 2.655 179.511 176.870 -0.024 0.000 1.077 302 L CA 2.393 57.230 54.840 -0.006 0.000 0.766 302 L CB -0.657 41.403 42.059 0.000 0.000 0.890 302 L HN 0.417 nan 8.230 nan 0.000 0.435 303 A N -0.923 121.876 122.820 -0.034 0.000 1.832 303 A HA -0.178 4.140 4.320 -0.003 0.000 0.214 303 A C 2.308 179.867 177.584 -0.043 0.000 1.200 303 A CA 2.425 54.433 52.037 -0.048 0.000 0.610 303 A CB -1.484 17.482 19.000 -0.056 0.000 0.842 303 A HN 0.552 nan 8.150 nan 0.000 0.444 304 V N -1.901 117.993 119.914 -0.034 0.000 2.828 304 V HA -0.066 4.052 4.120 -0.003 0.000 0.260 304 V C 2.281 178.360 176.094 -0.025 0.000 1.101 304 V CA 2.127 64.409 62.300 -0.029 0.000 1.123 304 V CB -1.195 30.617 31.823 -0.017 0.000 0.704 304 V HN 0.582 nan 8.190 nan 0.000 0.493 305 A N 0.392 123.199 122.820 -0.022 0.000 1.897 305 A HA 0.291 4.609 4.320 -0.003 0.000 0.215 305 A C 2.480 180.049 177.584 -0.025 0.000 1.181 305 A CA 1.747 53.772 52.037 -0.020 0.000 0.620 305 A CB -0.903 18.090 19.000 -0.010 0.000 0.821 305 A HN 0.981 nan 8.150 nan 0.000 0.443 306 A N -0.377 122.425 122.820 -0.030 0.000 1.929 306 A HA 0.240 4.558 4.320 -0.003 0.000 0.216 306 A C 1.030 178.610 177.584 -0.007 0.000 1.176 306 A CA 0.472 52.489 52.037 -0.033 0.000 0.628 306 A CB -0.345 18.614 19.000 -0.068 0.000 0.816 306 A HN 0.445 nan 8.150 nan 0.000 0.444 307 I N 1.307 121.866 120.570 -0.018 0.000 2.428 307 I HA 0.191 4.359 4.170 -0.003 0.000 0.289 307 I C -2.073 174.048 176.117 0.005 0.000 1.019 307 I CA -2.162 59.143 61.300 0.009 0.000 1.351 307 I CB 1.509 39.492 38.000 -0.029 0.000 1.412 307 I HN 0.075 nan 8.210 nan 0.000 0.513 308 P HA 0.142 nan 4.420 nan 0.000 0.225 308 P C 0.084 177.349 177.300 -0.058 0.000 1.813 308 P CA -0.170 62.907 63.100 -0.039 0.000 1.013 308 P CB 0.420 32.091 31.700 -0.048 0.000 1.961 309 E N 1.764 121.925 120.200 -0.064 0.000 2.172 309 E HA -0.230 4.119 4.350 -0.003 0.000 0.213 309 E C 2.244 178.787 176.600 -0.094 0.000 1.051 309 E CA 2.567 58.922 56.400 -0.076 0.000 0.860 309 E CB -1.035 28.620 29.700 -0.074 0.000 0.755 309 E HN 0.492 nan 8.360 nan 0.000 0.462 310 G N -0.294 108.434 108.800 -0.119 0.000 2.623 310 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.214 310 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.214 310 G C 1.360 176.169 174.900 -0.152 0.000 1.138 310 G CA 0.342 45.357 45.100 -0.142 0.000 0.794 310 G HN 0.166 nan 8.290 nan 0.000 0.535 311 L N 1.940 123.081 121.223 -0.137 0.000 1.991 311 L HA -0.097 4.241 4.340 -0.003 0.000 0.221 311 L C 0.132 176.940 176.870 -0.104 0.000 1.079 311 L CA 2.473 57.238 54.840 -0.125 0.000 0.778 311 L CB -1.270 40.747 42.059 -0.070 0.000 0.893 311 L HN 0.087 nan 8.230 nan 0.000 0.437 312 P HA -0.248 nan 4.420 nan 0.000 0.217 312 P C 1.586 178.845 177.300 -0.069 0.000 1.158 312 P CA 2.491 65.562 63.100 -0.048 0.000 0.887 312 P CB -0.294 31.377 31.700 -0.049 0.000 0.792 313 A N -0.970 121.790 122.820 -0.099 0.000 1.902 313 A HA -0.169 4.149 4.320 -0.003 0.000 0.217 313 A C 2.342 179.837 177.584 -0.148 0.000 1.181 313 A CA 1.916 53.889 52.037 -0.108 0.000 0.623 313 A CB -1.696 17.234 19.000 -0.117 0.000 0.818 313 A HN 0.026 nan 8.150 nan 0.000 0.443 314 V N 0.431 120.205 119.914 -0.233 0.000 2.233 314 V HA -0.311 3.807 4.120 -0.003 0.000 0.247 314 V C 2.427 178.326 176.094 -0.325 0.000 1.050 314 V CA 2.155 64.215 62.300 -0.400 0.000 1.010 314 V CB -0.809 30.587 31.823 -0.712 0.000 0.637 314 V HN 0.584 nan 8.190 nan 0.000 0.444 315 I N 0.808 121.275 120.570 -0.172 0.000 2.053 315 I HA -0.365 3.803 4.170 -0.003 0.000 0.236 315 I C 2.899 179.059 176.117 0.073 0.000 1.038 315 I CA 2.604 63.982 61.300 0.130 0.000 1.304 315 I CB -1.091 37.007 38.000 0.164 0.000 1.023 315 I HN 0.596 nan 8.210 nan 0.000 0.395 316 T N -1.078 113.490 114.554 0.023 0.000 2.624 316 T HA -0.292 4.056 4.350 -0.003 0.000 0.268 316 T C 1.845 176.554 174.700 0.015 0.000 1.041 316 T CA 2.568 64.681 62.100 0.022 0.000 1.159 316 T CB -1.530 67.341 68.868 0.004 0.000 0.863 316 T HN 0.574 nan 8.240 nan 0.000 0.434 317 T N -1.077 113.465 114.554 -0.020 0.000 2.881 317 T HA -0.134 4.215 4.350 -0.003 0.000 0.270 317 T C 2.304 177.016 174.700 0.021 0.000 1.068 317 T CA 1.091 63.182 62.100 -0.015 0.000 1.131 317 T CB -1.421 67.415 68.868 -0.055 0.000 0.871 317 T HN 0.623 nan 8.240 nan 0.000 0.479 318 C N 0.723 120.042 119.300 0.031 0.000 2.489 318 C HA 0.238 4.696 4.460 -0.003 0.000 0.279 318 C C 2.674 177.729 174.990 0.109 0.000 1.266 318 C CA 0.138 59.212 59.018 0.093 0.000 1.707 318 C CB -1.523 26.337 27.740 0.201 0.000 2.059 318 C HN 0.641 nan 8.230 nan 0.000 0.481 319 L N 1.468 122.751 121.223 0.100 0.000 1.990 319 L HA -0.155 4.183 4.340 -0.003 0.000 0.213 319 L C 3.058 179.968 176.870 0.066 0.000 1.072 319 L CA 1.943 56.832 54.840 0.082 0.000 0.755 319 L CB -1.088 41.015 42.059 0.072 0.000 0.889 319 L HN 0.492 nan 8.230 nan 0.000 0.432 320 A N 0.499 123.352 122.820 0.055 0.000 1.859 320 A HA -0.234 4.084 4.320 -0.003 0.000 0.217 320 A C 2.247 179.862 177.584 0.051 0.000 1.198 320 A CA 1.926 53.990 52.037 0.045 0.000 0.629 320 A CB -0.963 18.058 19.000 0.034 0.000 0.830 320 A HN 0.382 nan 8.150 nan 0.000 0.446 321 L N -0.858 120.405 121.223 0.067 0.000 2.013 321 L HA -0.211 4.127 4.340 -0.003 0.000 0.212 321 L C 2.866 179.782 176.870 0.077 0.000 1.073 321 L CA 1.467 56.353 54.840 0.077 0.000 0.753 321 L CB -1.225 40.917 42.059 0.139 0.000 0.890 321 L HN 0.532 nan 8.230 nan 0.000 0.432 322 G N -0.986 107.869 108.800 0.092 0.000 2.418 322 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.217 322 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.217 322 G C 1.563 176.495 174.900 0.054 0.000 1.158 322 G CA 1.245 46.393 45.100 0.080 0.000 0.771 322 G HN 0.269 nan 8.290 nan 0.000 0.545 323 T N 0.822 115.404 114.554 0.048 0.000 2.595 323 T HA -0.144 4.204 4.350 -0.003 0.000 0.264 323 T C 2.491 177.208 174.700 0.029 0.000 1.058 323 T CA 1.480 63.601 62.100 0.034 0.000 1.166 323 T CB -0.222 68.665 68.868 0.033 0.000 0.863 323 T HN 0.296 nan 8.240 nan 0.000 0.415 324 R N 0.533 121.050 120.500 0.029 0.000 2.133 324 R HA -0.134 4.204 4.340 -0.003 0.000 0.247 324 R C 2.637 178.949 176.300 0.020 0.000 1.151 324 R CA 1.446 57.559 56.100 0.021 0.000 0.971 324 R CB -0.274 30.036 30.300 0.018 0.000 0.866 324 R HN 0.322 nan 8.270 nan 0.000 0.447 325 R N 0.840 121.357 120.500 0.028 0.000 2.092 325 R HA -0.089 4.249 4.340 -0.003 0.000 0.226 325 R C 2.386 178.700 176.300 0.023 0.000 1.140 325 R CA 1.868 57.985 56.100 0.028 0.000 0.910 325 R CB -0.224 30.102 30.300 0.043 0.000 0.822 325 R HN 0.118 nan 8.270 nan 0.000 0.433 326 M N 0.265 119.880 119.600 0.024 0.000 2.153 326 M HA -0.279 4.199 4.480 -0.003 0.000 0.253 326 M C 2.392 178.698 176.300 0.011 0.000 1.081 326 M CA 1.998 57.307 55.300 0.016 0.000 1.076 326 M CB -0.519 32.089 32.600 0.014 0.000 1.350 326 M HN 0.381 nan 8.290 nan 0.000 0.401 327 A N 0.346 123.174 122.820 0.013 0.000 1.948 327 A HA -0.200 4.118 4.320 -0.003 0.000 0.220 327 A C 2.140 179.729 177.584 0.009 0.000 1.177 327 A CA 1.864 53.907 52.037 0.010 0.000 0.636 327 A CB -0.582 18.425 19.000 0.012 0.000 0.815 327 A HN 0.491 nan 8.150 nan 0.000 0.449 328 K N -0.422 119.984 120.400 0.010 0.000 2.148 328 K HA -0.065 4.253 4.320 -0.003 0.000 0.204 328 K C 1.094 177.699 176.600 0.008 0.000 1.050 328 K CA 1.241 57.533 56.287 0.009 0.000 0.942 328 K CB -0.088 32.417 32.500 0.010 0.000 0.724 328 K HN 0.380 nan 8.250 nan 0.000 0.446 329 K N 0.855 121.260 120.400 0.008 0.000 2.551 329 K HA 0.074 4.392 4.320 -0.003 0.000 0.204 329 K C -0.227 176.374 176.600 0.002 0.000 1.033 329 K CA -0.050 56.240 56.287 0.005 0.000 1.187 329 K CB 0.222 32.725 32.500 0.004 0.000 0.900 329 K HN 0.127 nan 8.250 nan 0.000 0.499 330 N N -0.621 118.081 118.700 0.003 0.000 2.863 330 N HA -0.176 4.563 4.740 -0.003 0.000 0.245 330 N C -0.516 174.993 175.510 -0.002 0.000 1.001 330 N CA 1.241 54.293 53.050 0.002 0.000 0.901 330 N CB -1.126 37.363 38.487 0.003 0.000 1.124 330 N HN 0.334 nan 8.380 nan 0.000 0.582 331 A N 0.929 123.746 122.820 -0.004 0.000 2.269 331 A HA 0.625 4.944 4.320 -0.003 0.000 0.302 331 A C 0.500 178.084 177.584 -0.001 0.000 1.266 331 A CA -0.320 51.712 52.037 -0.008 0.000 0.894 331 A CB 0.296 19.288 19.000 -0.013 0.000 1.147 331 A HN 0.250 nan 8.150 nan 0.000 0.537 332 I N 3.950 124.520 120.570 -0.000 0.000 2.307 332 I HA 0.197 4.365 4.170 -0.003 0.000 0.287 332 I C -0.195 175.924 176.117 0.003 0.000 1.054 332 I CA -0.438 60.865 61.300 0.004 0.000 1.218 332 I CB 1.334 39.338 38.000 0.006 0.000 1.398 332 I HN 0.386 nan 8.210 nan 0.000 0.475 333 V N 7.958 127.875 119.914 0.006 0.000 2.394 333 V HA 0.329 4.447 4.120 -0.003 0.000 0.282 333 V C 1.087 177.186 176.094 0.009 0.000 1.031 333 V CA -0.221 62.082 62.300 0.005 0.000 0.881 333 V CB 1.345 33.172 31.823 0.006 0.000 0.982 333 V HN 0.744 nan 8.190 nan 0.000 0.451 334 R N 3.393 123.897 120.500 0.007 0.000 2.052 334 R HA 0.088 4.426 4.340 -0.003 0.000 0.224 334 R C 0.781 177.088 176.300 0.012 0.000 1.149 334 R CA 1.197 57.303 56.100 0.009 0.000 0.962 334 R CB -0.251 30.052 30.300 0.006 0.000 0.856 334 R HN 0.772 nan 8.270 nan 0.000 0.433 335 S N 1.320 117.026 115.700 0.009 0.000 2.452 335 S HA 0.218 4.686 4.470 -0.003 0.000 0.284 335 S C 1.325 175.934 174.600 0.015 0.000 1.171 335 S CA -0.607 57.600 58.200 0.012 0.000 1.064 335 S CB 1.197 64.401 63.200 0.007 0.000 0.967 335 S HN 0.156 nan 8.310 nan 0.000 0.484 336 L N 2.275 123.511 121.223 0.022 0.000 2.021 336 L HA -0.084 4.254 4.340 -0.003 0.000 0.215 336 L C -0.636 176.249 176.870 0.026 0.000 1.074 336 L CA 1.446 56.303 54.840 0.028 0.000 0.760 336 L CB -2.063 40.017 42.059 0.035 0.000 0.889 336 L HN 0.458 nan 8.230 nan 0.000 0.433 337 P HA -0.140 nan 4.420 nan 0.000 0.218 337 P C 1.790 179.091 177.300 0.002 0.000 1.146 337 P CA 1.259 64.368 63.100 0.015 0.000 0.813 337 P CB 0.067 31.774 31.700 0.011 0.000 0.778 338 S N -0.756 114.944 115.700 -0.000 0.000 2.359 338 S HA -0.139 4.329 4.470 -0.003 0.000 0.224 338 S C 1.915 176.506 174.600 -0.014 0.000 1.035 338 S CA 1.329 59.522 58.200 -0.010 0.000 1.018 338 S CB -1.254 61.942 63.200 -0.007 0.000 0.876 338 S HN -0.049 nan 8.310 nan 0.000 0.448 339 V N 1.967 121.881 119.914 -0.000 0.000 2.418 339 V HA -0.296 3.822 4.120 -0.003 0.000 0.258 339 V C 2.377 178.464 176.094 -0.011 0.000 1.088 339 V CA 2.242 64.544 62.300 0.004 0.000 1.091 339 V CB -0.723 31.116 31.823 0.027 0.000 0.669 339 V HN 0.550 nan 8.190 nan 0.000 0.461 340 E N 0.691 120.874 120.200 -0.028 0.000 2.006 340 E HA -0.237 4.111 4.350 -0.003 0.000 0.192 340 E C 2.429 178.948 176.600 -0.136 0.000 0.993 340 E CA 2.152 58.492 56.400 -0.100 0.000 0.808 340 E CB -0.295 29.329 29.700 -0.127 0.000 0.764 340 E HN 0.778 nan 8.360 nan 0.000 0.449 341 T N 0.582 115.073 114.554 -0.104 0.000 2.760 341 T HA -0.239 4.109 4.350 -0.003 0.000 0.269 341 T C 2.012 176.671 174.700 -0.068 0.000 1.047 341 T CA 1.486 63.532 62.100 -0.089 0.000 1.139 341 T CB -0.504 68.330 68.868 -0.057 0.000 0.855 341 T HN 0.171 nan 8.240 nan 0.000 0.471 342 L N 2.497 123.689 121.223 -0.052 0.000 1.994 342 L HA 0.238 4.576 4.340 -0.003 0.000 0.208 342 L C 2.721 179.565 176.870 -0.043 0.000 1.071 342 L CA 2.239 57.055 54.840 -0.041 0.000 0.745 342 L CB -1.399 40.642 42.059 -0.030 0.000 0.892 342 L HN 0.372 nan 8.230 nan 0.000 0.431 343 G N -1.754 107.019 108.800 -0.045 0.000 2.615 343 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.213 343 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.213 343 G C 1.025 175.896 174.900 -0.047 0.000 1.135 343 G CA 0.960 46.039 45.100 -0.034 0.000 0.772 343 G HN 0.610 nan 8.290 nan 0.000 0.542 344 C N 0.744 120.004 119.300 -0.067 0.000 3.183 344 C HA 0.256 4.715 4.460 -0.003 0.000 0.285 344 C C 1.524 176.494 174.990 -0.033 0.000 1.313 344 C CA -0.417 58.565 59.018 -0.061 0.000 1.711 344 C CB -1.081 26.601 27.740 -0.097 0.000 2.135 344 C HN 0.494 nan 8.230 nan 0.000 0.651 345 T N -0.122 114.415 114.554 -0.028 0.000 2.800 345 T HA 0.011 4.359 4.350 -0.003 0.000 0.283 345 T C 1.021 175.721 174.700 -0.000 0.000 0.999 345 T CA 1.016 63.108 62.100 -0.014 0.000 1.176 345 T CB 0.930 69.787 68.868 -0.019 0.000 0.973 345 T HN 0.417 nan 8.240 nan 0.000 0.519 346 S N 3.079 118.786 115.700 0.013 0.000 2.371 346 S HA 0.171 4.639 4.470 -0.003 0.000 0.219 346 S C 0.601 175.222 174.600 0.034 0.000 1.040 346 S CA 0.191 58.406 58.200 0.025 0.000 0.958 346 S CB 0.043 63.264 63.200 0.036 0.000 0.860 346 S HN 0.679 nan 8.310 nan 0.000 0.487 347 V N 1.789 121.729 119.914 0.044 0.000 2.769 347 V HA 0.570 4.689 4.120 -0.003 0.000 0.312 347 V C -0.806 175.321 176.094 0.055 0.000 1.061 347 V CA -0.761 61.573 62.300 0.058 0.000 0.931 347 V CB 1.797 33.668 31.823 0.081 0.000 1.010 347 V HN 0.370 nan 8.190 nan 0.000 0.433 348 I N 2.663 123.274 120.570 0.069 0.000 2.439 348 I HA 0.354 4.522 4.170 -0.003 0.000 0.285 348 I C -0.802 175.383 176.117 0.112 0.000 1.021 348 I CA -0.190 61.156 61.300 0.076 0.000 1.091 348 I CB 1.654 39.697 38.000 0.072 0.000 1.242 348 I HN 0.515 nan 8.210 nan 0.000 0.439 349 C N 4.444 123.802 119.300 0.096 0.000 2.246 349 C HA 0.445 4.903 4.460 -0.003 0.000 0.329 349 C C 0.773 175.827 174.990 0.107 0.000 1.221 349 C CA -0.295 58.786 59.018 0.104 0.000 1.697 349 C CB 0.083 27.873 27.740 0.083 0.000 2.312 349 C HN 0.756 nan 8.230 nan 0.000 0.509 350 S N 2.772 118.553 115.700 0.135 0.000 2.472 350 S HA 0.325 4.793 4.470 -0.003 0.000 0.303 350 S C -0.406 174.250 174.600 0.093 0.000 1.099 350 S CA -0.517 57.772 58.200 0.149 0.000 1.077 350 S CB 0.496 63.872 63.200 0.293 0.000 1.031 350 S HN 0.749 nan 8.310 nan 0.000 0.487 351 D N 2.759 123.205 120.400 0.077 0.000 2.382 351 D HA 0.093 4.731 4.640 -0.003 0.000 0.240 351 D C 0.817 177.145 176.300 0.045 0.000 1.146 351 D CA 0.103 54.135 54.000 0.052 0.000 0.897 351 D CB 1.024 41.850 40.800 0.044 0.000 1.197 351 D HN 0.615 nan 8.370 nan 0.000 0.432 352 K N 0.283 120.699 120.400 0.027 0.000 2.049 352 K HA -0.135 4.183 4.320 -0.003 0.000 0.214 352 K C 2.018 178.625 176.600 0.010 0.000 1.026 352 K CA 1.308 57.599 56.287 0.006 0.000 0.954 352 K CB -0.605 31.893 32.500 -0.003 0.000 0.838 352 K HN 0.513 nan 8.250 nan 0.000 0.450 353 T N -1.120 113.441 114.554 0.013 0.000 2.635 353 T HA -0.228 4.120 4.350 -0.003 0.000 0.265 353 T C 1.962 176.676 174.700 0.023 0.000 1.058 353 T CA 2.188 64.298 62.100 0.016 0.000 1.162 353 T CB -1.405 67.475 68.868 0.019 0.000 0.859 353 T HN 0.500 nan 8.240 nan 0.000 0.449 354 G N 0.237 109.056 108.800 0.031 0.000 2.408 354 G HA2 -0.019 3.939 3.960 -0.003 0.000 0.217 354 G HA3 -0.019 3.939 3.960 -0.003 0.000 0.217 354 G C 1.843 176.770 174.900 0.045 0.000 1.150 354 G CA 1.733 46.855 45.100 0.036 0.000 0.776 354 G HN 0.809 nan 8.290 nan 0.000 0.542 355 T N -1.972 112.615 114.554 0.056 0.000 3.114 355 T HA 0.214 4.562 4.350 -0.003 0.000 0.240 355 T C 2.377 177.127 174.700 0.083 0.000 0.983 355 T CA 0.129 62.282 62.100 0.087 0.000 1.151 355 T CB -0.335 68.608 68.868 0.126 0.000 0.974 355 T HN 0.070 nan 8.240 nan 0.000 0.442 356 L N 2.288 123.532 121.223 0.035 0.000 2.093 356 L HA 0.132 4.470 4.340 -0.003 0.000 0.208 356 L C 1.847 178.691 176.870 -0.043 0.000 1.085 356 L CA 1.308 56.113 54.840 -0.058 0.000 0.755 356 L CB -0.698 41.276 42.059 -0.141 0.000 0.904 356 L HN 0.587 nan 8.230 nan 0.000 0.435 357 T N -5.582 108.962 114.554 -0.017 0.000 2.938 357 T HA 0.211 4.559 4.350 -0.003 0.000 0.285 357 T C 0.732 175.433 174.700 0.001 0.000 1.028 357 T CA -0.450 61.641 62.100 -0.015 0.000 1.005 357 T CB 1.759 70.620 68.868 -0.013 0.000 1.157 357 T HN -0.106 nan 8.240 nan 0.000 0.550 358 T N 1.136 115.687 114.554 -0.005 0.000 3.107 358 T HA 0.147 4.495 4.350 -0.003 0.000 0.249 358 T C 0.994 175.698 174.700 0.007 0.000 1.096 358 T CA 0.383 62.481 62.100 -0.003 0.000 1.012 358 T CB -0.684 68.171 68.868 -0.022 0.000 0.977 358 T HN 0.845 nan 8.240 nan 0.000 0.527 359 N N 1.665 120.375 118.700 0.016 0.000 2.708 359 N HA -0.192 4.546 4.740 -0.003 0.000 0.251 359 N C -0.601 174.948 175.510 0.065 0.000 1.123 359 N CA 0.635 53.711 53.050 0.042 0.000 0.739 359 N CB -1.356 37.161 38.487 0.050 0.000 1.113 359 N HN 0.561 nan 8.380 nan 0.000 0.561 360 Q N 0.190 119.990 119.800 0.000 0.000 2.425 360 Q HA 0.300 4.638 4.340 -0.003 0.000 0.254 360 Q C -0.032 175.921 176.000 -0.078 0.000 1.032 360 Q CA -0.525 55.214 55.803 -0.107 0.000 0.798 360 Q CB 0.940 29.537 28.738 -0.235 0.000 1.210 360 Q HN 0.239 nan 8.270 nan 0.000 0.491 361 M N 1.379 121.037 119.600 0.098 0.000 2.283 361 M HA 0.439 4.917 4.480 -0.003 0.000 0.314 361 M C 0.204 176.574 176.300 0.117 0.000 1.153 361 M CA -0.018 55.361 55.300 0.131 0.000 1.084 361 M CB 1.308 34.022 32.600 0.191 0.000 1.468 361 M HN 0.628 nan 8.290 nan 0.000 0.474 362 S N 0.085 115.821 115.700 0.061 0.000 2.579 362 S HA 0.408 4.876 4.470 -0.003 0.000 0.290 362 S C -1.303 173.298 174.600 0.002 0.000 1.123 362 S CA -1.071 57.151 58.200 0.037 0.000 0.894 362 S CB 0.604 63.794 63.200 -0.017 0.000 1.095 362 S HN 0.355 nan 8.310 nan 0.000 0.450 363 V N 3.239 123.151 119.914 -0.002 0.000 2.470 363 V HA 0.202 4.320 4.120 -0.003 0.000 0.276 363 V C 1.067 177.130 176.094 -0.051 0.000 1.040 363 V CA -0.229 62.056 62.300 -0.025 0.000 1.008 363 V CB 0.183 31.992 31.823 -0.023 0.000 0.990 363 V HN 1.165 nan 8.190 nan 0.000 0.477 364 C N 3.625 122.870 119.300 -0.092 0.000 2.469 364 C HA 0.251 4.709 4.460 -0.003 0.000 0.309 364 C C 1.115 176.008 174.990 -0.162 0.000 1.385 364 C CA -0.107 58.835 59.018 -0.127 0.000 1.890 364 C CB -0.226 27.414 27.740 -0.168 0.000 2.245 364 C HN 0.770 nan 8.230 nan 0.000 0.530 365 K N 0.121 120.358 120.400 -0.271 0.000 2.281 365 K HA 0.750 5.068 4.320 -0.003 0.000 0.242 365 K C -0.957 175.660 176.600 0.029 0.000 0.971 365 K CA -0.122 55.977 56.287 -0.313 0.000 0.834 365 K CB 1.912 33.694 32.500 -1.198 0.000 1.181 365 K HN 0.188 nan 8.250 nan 0.000 0.435 366 M N 1.420 121.217 119.600 0.328 0.000 2.683 366 M HA 0.536 5.014 4.480 -0.003 0.000 0.274 366 M C -1.894 174.785 176.300 0.632 0.000 1.272 366 M CA -0.901 54.596 55.300 0.329 0.000 0.833 366 M CB 2.421 34.990 32.600 -0.051 0.000 1.708 366 M HN 0.664 nan 8.290 nan 0.000 0.463 367 F N 2.048 122.122 119.950 0.207 0.000 2.655 367 F HA 0.602 5.127 4.527 -0.003 0.000 0.324 367 F C -2.378 173.463 175.800 0.068 0.000 1.081 367 F CA -1.389 56.723 58.000 0.188 0.000 1.088 367 F CB 0.298 39.400 39.000 0.170 0.000 1.327 367 F HN 0.455 nan 8.300 nan 0.000 0.522 368 I N 2.549 123.324 120.570 0.342 0.000 2.740 368 I HA 0.624 4.792 4.170 -0.003 0.000 0.303 368 I C -0.510 175.817 176.117 0.350 0.000 1.044 368 I CA -1.333 60.071 61.300 0.173 0.000 1.064 368 I CB 1.999 40.002 38.000 0.005 0.000 1.249 368 I HN 0.449 nan 8.210 nan 0.000 0.433 369 I N 3.652 124.414 120.570 0.320 0.000 2.598 369 I HA -0.033 4.135 4.170 -0.003 0.000 0.284 369 I C 1.071 177.313 176.117 0.208 0.000 1.140 369 I CA 0.649 62.126 61.300 0.296 0.000 1.420 369 I CB 0.116 38.290 38.000 0.290 0.000 1.387 369 I HN 0.858 nan 8.210 nan 0.000 0.553 370 D N 5.629 126.141 120.400 0.185 0.000 2.431 370 D HA 0.025 4.663 4.640 -0.003 0.000 0.235 370 D C 0.436 176.817 176.300 0.135 0.000 0.980 370 D CA 0.580 54.680 54.000 0.166 0.000 0.912 370 D CB 1.059 41.953 40.800 0.156 0.000 1.056 370 D HN 0.579 nan 8.370 nan 0.000 0.494 371 K N 0.358 120.831 120.400 0.121 0.000 2.570 371 K HA 0.374 4.692 4.320 -0.003 0.000 0.256 371 K C -2.128 174.536 176.600 0.107 0.000 0.939 371 K CA -0.631 55.720 56.287 0.106 0.000 0.833 371 K CB 2.339 34.893 32.500 0.090 0.000 1.318 371 K HN -0.179 nan 8.250 nan 0.000 0.433 372 V N 2.684 122.661 119.914 0.105 0.000 2.531 372 V HA 0.522 4.640 4.120 -0.003 0.000 0.301 372 V C -1.320 174.838 176.094 0.107 0.000 1.034 372 V CA -0.557 61.806 62.300 0.103 0.000 0.865 372 V CB 1.734 33.613 31.823 0.094 0.000 0.995 372 V HN 0.894 nan 8.190 nan 0.000 0.424 373 D N 2.757 123.235 120.400 0.130 0.000 2.871 373 D HA 0.551 5.189 4.640 -0.003 0.000 0.209 373 D C 0.457 176.850 176.300 0.156 0.000 1.292 373 D CA 1.006 55.094 54.000 0.147 0.000 0.869 373 D CB 1.938 42.843 40.800 0.174 0.000 1.663 373 D HN 0.925 nan 8.370 nan 0.000 0.557 374 G N 3.887 112.733 108.800 0.077 0.000 2.651 374 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.315 374 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.315 374 G C 0.544 175.372 174.900 -0.121 0.000 1.258 374 G CA 0.781 45.861 45.100 -0.034 0.000 1.002 374 G HN 0.626 nan 8.290 nan 0.000 0.551 375 D N 0.453 120.648 120.400 -0.342 0.000 2.349 375 D HA 0.193 4.831 4.640 -0.003 0.000 0.214 375 D C 0.491 176.637 176.300 -0.257 0.000 1.063 375 D CA 0.104 53.921 54.000 -0.305 0.000 0.847 375 D CB 0.102 40.680 40.800 -0.371 0.000 0.933 375 D HN 0.156 nan 8.370 nan 0.000 0.513 376 F N 1.577 121.528 119.950 0.002 0.000 2.471 376 F HA 0.149 4.674 4.527 -0.003 0.000 0.365 376 F C 0.797 176.601 175.800 0.006 0.000 1.095 376 F CA -0.853 57.148 58.000 0.002 0.000 1.174 376 F CB 0.530 39.534 39.000 0.006 0.000 1.105 376 F HN -0.143 nan 8.300 nan 0.000 0.535 377 C N 3.768 123.167 119.300 0.166 0.000 2.498 377 C HA 0.808 5.267 4.460 -0.003 0.000 0.316 377 C C -0.475 174.560 174.990 0.075 0.000 1.209 377 C CA -0.465 58.610 59.018 0.095 0.000 1.518 377 C CB 0.758 28.522 27.740 0.040 0.000 2.147 377 C HN 0.865 nan 8.230 nan 0.000 0.483 378 S N 6.439 122.181 115.700 0.070 0.000 2.672 378 S HA 0.735 5.203 4.470 -0.003 0.000 0.291 378 S C -0.818 173.817 174.600 0.058 0.000 1.145 378 S CA -0.497 57.734 58.200 0.052 0.000 1.013 378 S CB 0.663 63.899 63.200 0.061 0.000 1.017 378 S HN 0.649 nan 8.310 nan 0.000 0.487 379 L N 3.243 124.475 121.223 0.014 0.000 2.946 379 L HA 0.658 4.997 4.340 -0.003 0.000 0.189 379 L C 0.515 177.444 176.870 0.098 0.000 1.249 379 L CA -0.249 54.614 54.840 0.037 0.000 1.098 379 L CB -0.058 41.897 42.059 -0.173 0.000 2.064 379 L HN 0.898 nan 8.230 nan 0.000 0.522 380 N N -0.865 117.938 118.700 0.172 0.000 2.946 380 N HA 0.161 4.899 4.740 -0.003 0.000 0.213 380 N C -1.485 174.265 175.510 0.400 0.000 1.440 380 N CA -0.176 53.002 53.050 0.213 0.000 0.745 380 N CB 0.561 39.212 38.487 0.273 0.000 1.471 380 N HN 0.473 nan 8.380 nan 0.000 0.569 381 E N 0.950 121.298 120.200 0.246 0.000 2.383 381 E HA 0.323 4.671 4.350 -0.003 0.000 0.264 381 E C -0.529 176.262 176.600 0.318 0.000 1.050 381 E CA 0.298 56.947 56.400 0.415 0.000 0.896 381 E CB 1.214 31.097 29.700 0.305 0.000 0.982 381 E HN 0.295 nan 8.360 nan 0.000 0.424 382 F N -0.374 119.658 119.950 0.138 0.000 2.790 382 F HA 0.489 5.014 4.527 -0.003 0.000 0.337 382 F C 0.092 175.887 175.800 -0.008 0.000 1.163 382 F CA -0.896 57.119 58.000 0.025 0.000 0.997 382 F CB 2.157 41.146 39.000 -0.019 0.000 1.437 382 F HN 0.262 nan 8.300 nan 0.000 0.512 383 S N 0.603 116.416 115.700 0.189 0.000 2.564 383 S HA 0.792 5.260 4.470 -0.003 0.000 0.274 383 S C -1.591 173.044 174.600 0.058 0.000 1.124 383 S CA -0.512 57.717 58.200 0.048 0.000 0.869 383 S CB 2.472 65.671 63.200 -0.002 0.000 1.105 383 S HN 0.324 nan 8.310 nan 0.000 0.472 384 I N 1.487 122.059 120.570 0.003 0.000 2.607 384 I HA 0.371 4.539 4.170 -0.003 0.000 0.290 384 I C -0.343 175.762 176.117 -0.020 0.000 1.129 384 I CA -0.048 61.251 61.300 -0.000 0.000 1.042 384 I CB 2.411 40.403 38.000 -0.013 0.000 1.242 384 I HN 0.509 nan 8.210 nan 0.000 0.421 385 T N 3.696 118.241 114.554 -0.014 0.000 2.867 385 T HA 0.786 5.134 4.350 -0.003 0.000 0.282 385 T C -0.065 174.622 174.700 -0.023 0.000 1.000 385 T CA -0.561 61.527 62.100 -0.020 0.000 1.042 385 T CB 1.443 70.303 68.868 -0.014 0.000 0.973 385 T HN 1.094 nan 8.240 nan 0.000 0.465 386 G N 0.990 109.774 108.800 -0.028 0.000 3.220 386 G HA2 0.063 4.022 3.960 -0.003 0.000 0.636 386 G HA3 0.063 4.022 3.960 -0.003 0.000 0.636 386 G C 0.415 175.290 174.900 -0.042 0.000 1.226 386 G CA -0.076 45.007 45.100 -0.029 0.000 1.177 386 G HN 0.856 nan 8.290 nan 0.000 0.527 387 S N 0.361 116.030 115.700 -0.052 0.000 2.486 387 S HA 0.223 4.692 4.470 -0.003 0.000 0.220 387 S C 1.206 175.723 174.600 -0.138 0.000 1.011 387 S CA 1.413 59.563 58.200 -0.082 0.000 0.921 387 S CB 0.292 63.447 63.200 -0.075 0.000 0.785 387 S HN 0.896 nan 8.310 nan 0.000 0.517 388 T N 1.999 116.492 114.554 -0.101 0.000 2.868 388 T HA 0.296 4.644 4.350 -0.003 0.000 0.292 388 T C 0.206 174.849 174.700 -0.095 0.000 1.028 388 T CA -0.228 61.795 62.100 -0.128 0.000 1.059 388 T CB 0.321 69.194 68.868 0.008 0.000 0.991 388 T HN 0.217 nan 8.240 nan 0.000 0.531 389 Y N 0.726 121.040 120.300 0.022 0.000 2.639 389 Y HA 0.214 4.762 4.550 -0.003 0.000 0.297 389 Y C 1.831 177.670 175.900 -0.102 0.000 1.151 389 Y CA -0.494 57.595 58.100 -0.019 0.000 1.335 389 Y CB -1.308 37.161 38.460 0.014 0.000 0.994 389 Y HN 0.694 nan 8.280 nan 0.000 0.548 390 A N 2.506 125.343 122.820 0.028 0.000 2.587 390 A HA -0.013 4.305 4.320 -0.003 0.000 0.233 390 A C -1.379 176.036 177.584 -0.282 0.000 1.049 390 A CA -0.633 51.271 52.037 -0.222 0.000 0.754 390 A CB -0.189 18.867 19.000 0.092 0.000 0.977 390 A HN 0.164 nan 8.150 nan 0.000 0.509 391 P HA 0.078 nan 4.420 nan 0.000 0.258 391 P C -0.596 176.615 177.300 -0.148 0.000 1.559 391 P CA 0.414 63.350 63.100 -0.274 0.000 0.855 391 P CB -0.278 31.226 31.700 -0.327 0.000 1.594 392 E N 0.386 120.525 120.200 -0.101 0.000 2.129 392 E HA 0.636 4.985 4.350 -0.003 0.000 0.268 392 E C 0.429 177.012 176.600 -0.029 0.000 0.900 392 E CA -0.734 55.641 56.400 -0.041 0.000 0.755 392 E CB 1.630 31.329 29.700 -0.002 0.000 1.117 392 E HN 0.141 nan 8.360 nan 0.000 0.410 393 G N 2.255 111.041 108.800 -0.022 0.000 2.320 393 G HA2 0.169 4.127 3.960 -0.003 0.000 0.297 393 G HA3 0.169 4.127 3.960 -0.003 0.000 0.297 393 G C -1.562 173.333 174.900 -0.008 0.000 1.344 393 G CA -0.807 44.284 45.100 -0.015 0.000 0.851 393 G HN 0.334 nan 8.290 nan 0.000 0.567 394 E N -0.936 119.264 120.200 0.000 0.000 2.340 394 E HA 0.547 4.895 4.350 -0.003 0.000 0.273 394 E C -0.874 175.743 176.600 0.029 0.000 0.891 394 E CA -0.790 55.618 56.400 0.014 0.000 0.757 394 E CB 3.058 32.767 29.700 0.015 0.000 1.231 394 E HN 0.343 nan 8.360 nan 0.000 0.439 395 V N 3.443 123.389 119.914 0.054 0.000 2.509 395 V HA 0.452 4.570 4.120 -0.003 0.000 0.284 395 V C 0.044 176.210 176.094 0.121 0.000 1.047 395 V CA -0.317 62.048 62.300 0.108 0.000 0.952 395 V CB 0.669 32.578 31.823 0.142 0.000 0.988 395 V HN 0.422 nan 8.190 nan 0.000 0.469 396 L N 3.765 125.056 121.223 0.114 0.000 2.393 396 L HA 0.683 5.021 4.340 -0.003 0.000 0.260 396 L C -0.643 176.170 176.870 -0.095 0.000 1.002 396 L CA -0.866 53.987 54.840 0.022 0.000 0.818 396 L CB 2.378 44.437 42.059 0.000 0.000 1.369 396 L HN 0.521 nan 8.230 nan 0.000 0.412 397 K N 2.013 122.292 120.400 -0.203 0.000 2.535 397 K HA 0.365 4.683 4.320 -0.003 0.000 0.253 397 K C -0.685 175.812 176.600 -0.172 0.000 0.953 397 K CA -0.390 55.689 56.287 -0.348 0.000 0.863 397 K CB 0.703 32.853 32.500 -0.583 0.000 1.111 397 K HN 0.724 nan 8.250 nan 0.000 0.431 398 N N 3.841 122.468 118.700 -0.123 0.000 2.815 398 N HA -0.164 4.574 4.740 -0.003 0.000 0.249 398 N C -1.018 174.460 175.510 -0.053 0.000 1.114 398 N CA 1.399 54.405 53.050 -0.073 0.000 0.717 398 N CB -1.096 37.351 38.487 -0.066 0.000 1.074 398 N HN 0.974 nan 8.380 nan 0.000 0.555 399 D N -2.197 118.172 120.400 -0.051 0.000 3.079 399 D HA -0.212 4.427 4.640 -0.003 0.000 0.214 399 D C 0.237 176.522 176.300 -0.025 0.000 1.145 399 D CA 1.815 55.796 54.000 -0.033 0.000 0.958 399 D CB -1.038 39.746 40.800 -0.027 0.000 1.117 399 D HN 0.839 nan 8.370 nan 0.000 0.416 400 K N 0.456 120.837 120.400 -0.032 0.000 2.213 400 K HA 0.535 4.853 4.320 -0.003 0.000 0.270 400 K C -2.693 173.905 176.600 -0.005 0.000 1.002 400 K CA -1.641 54.635 56.287 -0.017 0.000 0.868 400 K CB 1.986 34.474 32.500 -0.019 0.000 1.093 400 K HN -0.177 nan 8.250 nan 0.000 0.454 401 P HA -0.028 nan 4.420 nan 0.000 0.264 401 P C -0.517 176.813 177.300 0.050 0.000 1.179 401 P CA 0.325 63.442 63.100 0.028 0.000 0.763 401 P CB 0.643 32.357 31.700 0.023 0.000 0.806 402 I N 1.293 121.914 120.570 0.085 0.000 2.894 402 I HA 0.359 4.527 4.170 -0.003 0.000 0.302 402 I C 0.496 176.705 176.117 0.154 0.000 1.188 402 I CA -1.148 60.238 61.300 0.144 0.000 1.014 402 I CB 3.083 41.210 38.000 0.212 0.000 1.242 402 I HN 0.216 nan 8.210 nan 0.000 0.430 403 R N 2.453 123.055 120.500 0.169 0.000 2.287 403 R HA 0.312 4.651 4.340 -0.003 0.000 0.327 403 R C 0.629 177.043 176.300 0.190 0.000 1.109 403 R CA -0.062 56.111 56.100 0.122 0.000 1.013 403 R CB 0.876 31.215 30.300 0.066 0.000 1.126 403 R HN 0.804 nan 8.270 nan 0.000 0.503 404 S N 2.755 118.544 115.700 0.148 0.000 2.393 404 S HA -0.262 4.206 4.470 -0.003 0.000 0.234 404 S C 1.925 176.597 174.600 0.120 0.000 1.064 404 S CA 1.705 59.979 58.200 0.123 0.000 1.088 404 S CB -0.387 62.795 63.200 -0.030 0.000 0.939 404 S HN 0.900 nan 8.310 nan 0.000 0.448 405 G N 1.508 110.304 108.800 -0.006 0.000 2.599 405 G HA2 -0.352 3.606 3.960 -0.003 0.000 0.219 405 G HA3 -0.352 3.606 3.960 -0.003 0.000 0.219 405 G C 1.193 176.053 174.900 -0.067 0.000 1.193 405 G CA 1.323 46.361 45.100 -0.103 0.000 0.778 405 G HN 0.599 nan 8.290 nan 0.000 0.589 406 Q N -0.607 119.158 119.800 -0.059 0.000 2.404 406 Q HA -0.088 4.250 4.340 -0.003 0.000 0.214 406 Q C -0.041 175.717 176.000 -0.404 0.000 0.992 406 Q CA 0.517 56.175 55.803 -0.242 0.000 0.899 406 Q CB -0.156 28.370 28.738 -0.354 0.000 0.921 406 Q HN 0.540 nan 8.270 nan 0.000 0.453 407 F N -0.482 119.458 119.950 -0.015 0.000 2.492 407 F HA 0.176 4.701 4.527 -0.003 0.000 0.327 407 F C 0.931 176.693 175.800 -0.063 0.000 1.079 407 F CA -0.987 57.012 58.000 -0.002 0.000 0.967 407 F CB 1.320 40.354 39.000 0.056 0.000 1.169 407 F HN -0.205 nan 8.300 nan 0.000 0.472 408 D N 1.761 122.237 120.400 0.125 0.000 2.232 408 D HA -0.024 4.615 4.640 -0.003 0.000 0.220 408 D C 2.288 178.596 176.300 0.012 0.000 0.982 408 D CA 1.289 55.310 54.000 0.034 0.000 0.892 408 D CB -0.676 40.146 40.800 0.036 0.000 1.040 408 D HN 0.791 nan 8.370 nan 0.000 0.463 409 G N 2.102 110.926 108.800 0.040 0.000 2.663 409 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.222 409 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.222 409 G C 1.803 176.644 174.900 -0.098 0.000 1.146 409 G CA 1.047 46.134 45.100 -0.021 0.000 0.764 409 G HN 0.227 nan 8.290 nan 0.000 0.608 410 L N 0.700 121.864 121.223 -0.099 0.000 2.017 410 L HA -0.127 4.211 4.340 -0.003 0.000 0.208 410 L C 3.205 179.962 176.870 -0.188 0.000 1.073 410 L CA 1.424 56.146 54.840 -0.197 0.000 0.745 410 L CB -1.002 40.924 42.059 -0.223 0.000 0.894 410 L HN 0.313 nan 8.230 nan 0.000 0.432 411 V N -1.770 118.041 119.914 -0.171 0.000 2.370 411 V HA -0.328 3.791 4.120 -0.003 0.000 0.252 411 V C 2.143 178.145 176.094 -0.154 0.000 1.068 411 V CA 2.334 64.496 62.300 -0.230 0.000 1.061 411 V CB -0.569 31.104 31.823 -0.251 0.000 0.656 411 V HN 0.562 nan 8.190 nan 0.000 0.455 412 E N 0.055 120.173 120.200 -0.137 0.000 2.021 412 E HA -0.114 4.234 4.350 -0.003 0.000 0.189 412 E C 2.234 178.692 176.600 -0.236 0.000 0.980 412 E CA 1.177 57.479 56.400 -0.164 0.000 0.803 412 E CB -0.237 29.395 29.700 -0.114 0.000 0.766 412 E HN 0.662 nan 8.360 nan 0.000 0.449 413 L N 0.703 121.792 121.223 -0.224 0.000 2.064 413 L HA -0.310 4.029 4.340 -0.003 0.000 0.216 413 L C 2.323 179.052 176.870 -0.235 0.000 1.077 413 L CA 2.049 56.740 54.840 -0.249 0.000 0.766 413 L CB -0.322 41.580 42.059 -0.261 0.000 0.890 413 L HN 0.240 nan 8.230 nan 0.000 0.435 414 A N -0.498 122.194 122.820 -0.214 0.000 1.841 414 A HA -0.228 4.090 4.320 -0.003 0.000 0.214 414 A C 2.376 179.845 177.584 -0.191 0.000 1.195 414 A CA 2.393 54.322 52.037 -0.181 0.000 0.611 414 A CB -1.371 17.532 19.000 -0.161 0.000 0.835 414 A HN 0.642 nan 8.150 nan 0.000 0.443 415 T N -0.915 113.508 114.554 -0.219 0.000 2.759 415 T HA -0.154 4.194 4.350 -0.003 0.000 0.269 415 T C 1.819 176.234 174.700 -0.475 0.000 1.042 415 T CA 1.616 63.542 62.100 -0.290 0.000 1.140 415 T CB -0.720 67.951 68.868 -0.327 0.000 0.864 415 T HN 0.363 nan 8.240 nan 0.000 0.455 416 I N 1.021 121.259 120.570 -0.554 0.000 2.142 416 I HA -0.151 4.017 4.170 -0.003 0.000 0.240 416 I C 2.863 178.832 176.117 -0.246 0.000 1.078 416 I CA 1.141 62.137 61.300 -0.506 0.000 1.343 416 I CB -0.748 37.045 38.000 -0.345 0.000 1.046 416 I HN 0.367 nan 8.210 nan 0.000 0.405 417 C N 1.001 120.182 119.300 -0.198 0.000 2.410 417 C HA -0.090 4.368 4.460 -0.003 0.000 0.281 417 C C 2.982 177.908 174.990 -0.107 0.000 1.318 417 C CA 0.899 59.839 59.018 -0.130 0.000 1.776 417 C CB -1.403 26.264 27.740 -0.123 0.000 1.942 417 C HN 0.599 nan 8.230 nan 0.000 0.508 418 A N -0.600 122.144 122.820 -0.127 0.000 2.081 418 A HA 0.263 4.581 4.320 -0.003 0.000 0.214 418 A C 1.865 179.413 177.584 -0.060 0.000 1.158 418 A CA 0.855 52.841 52.037 -0.086 0.000 0.724 418 A CB -0.163 18.790 19.000 -0.078 0.000 0.826 418 A HN 0.605 nan 8.150 nan 0.000 0.463 419 L N -2.350 118.829 121.223 -0.073 0.000 2.672 419 L HA 0.171 4.509 4.340 -0.003 0.000 0.236 419 L C 1.197 178.103 176.870 0.060 0.000 1.092 419 L CA 0.021 54.872 54.840 0.019 0.000 0.887 419 L CB 0.652 42.773 42.059 0.103 0.000 1.168 419 L HN 0.354 nan 8.230 nan 0.000 0.502 420 C N 1.734 121.050 119.300 0.028 0.000 2.306 420 C HA 0.341 4.800 4.460 -0.003 0.000 0.341 420 C C 0.281 175.280 174.990 0.015 0.000 1.381 420 C CA -0.362 58.686 59.018 0.050 0.000 1.784 420 C CB -1.780 25.997 27.740 0.062 0.000 2.555 420 C HN 0.314 nan 8.230 nan 0.000 0.565 421 N N 0.802 119.504 118.700 0.003 0.000 2.410 421 N HA 0.245 4.983 4.740 -0.003 0.000 0.287 421 N C -0.780 174.726 175.510 -0.006 0.000 1.044 421 N CA -0.054 52.987 53.050 -0.014 0.000 0.881 421 N CB 1.403 39.869 38.487 -0.034 0.000 1.405 421 N HN 0.280 nan 8.380 nan 0.000 0.490 422 D N 1.219 121.614 120.400 -0.008 0.000 2.491 422 D HA 0.220 4.858 4.640 -0.003 0.000 0.228 422 D C -0.242 176.048 176.300 -0.017 0.000 1.183 422 D CA 0.239 54.238 54.000 -0.002 0.000 0.827 422 D CB 0.585 41.390 40.800 0.008 0.000 0.989 422 D HN 0.317 nan 8.370 nan 0.000 0.494 423 S N -0.585 115.095 115.700 -0.034 0.000 2.823 423 S HA 0.786 5.254 4.470 -0.003 0.000 0.316 423 S C -0.095 174.476 174.600 -0.049 0.000 1.116 423 S CA -0.618 57.551 58.200 -0.052 0.000 0.911 423 S CB 2.108 65.256 63.200 -0.087 0.000 1.276 423 S HN 0.232 nan 8.310 nan 0.000 0.565 424 S N -0.540 115.122 115.700 -0.062 0.000 2.611 424 S HA 0.583 5.052 4.470 -0.003 0.000 0.270 424 S C -1.691 172.880 174.600 -0.047 0.000 1.131 424 S CA -0.944 57.230 58.200 -0.043 0.000 0.826 424 S CB 0.186 63.377 63.200 -0.015 0.000 1.095 424 S HN 0.498 nan 8.310 nan 0.000 0.461 425 L N 0.951 122.165 121.223 -0.015 0.000 2.334 425 L HA 0.849 5.187 4.340 -0.003 0.000 0.270 425 L C -0.762 176.165 176.870 0.095 0.000 1.018 425 L CA -0.519 54.337 54.840 0.028 0.000 0.811 425 L CB 1.618 43.686 42.059 0.014 0.000 1.271 425 L HN 0.933 nan 8.230 nan 0.000 0.443 426 D N -0.020 120.486 120.400 0.177 0.000 2.736 426 D HA 0.393 5.031 4.640 -0.003 0.000 0.223 426 D C -1.783 174.722 176.300 0.341 0.000 1.231 426 D CA -0.371 53.752 54.000 0.204 0.000 0.818 426 D CB 1.929 42.796 40.800 0.111 0.000 1.587 426 D HN 0.200 nan 8.370 nan 0.000 0.463 427 F N 3.324 123.352 119.950 0.131 0.000 2.449 427 F HA 0.511 5.036 4.527 -0.003 0.000 0.342 427 F C -0.797 174.991 175.800 -0.021 0.000 1.127 427 F CA -0.821 57.198 58.000 0.032 0.000 0.975 427 F CB 0.890 39.873 39.000 -0.028 0.000 1.146 427 F HN 0.383 nan 8.300 nan 0.000 0.444 428 N N 3.090 121.373 118.700 -0.695 0.000 2.487 428 N HA 0.328 5.066 4.740 -0.003 0.000 0.292 428 N C -0.042 174.936 175.510 -0.887 0.000 1.108 428 N CA -0.474 52.231 53.050 -0.574 0.000 0.956 428 N CB 1.342 39.650 38.487 -0.299 0.000 1.176 428 N HN 0.452 nan 8.380 nan 0.000 0.484 429 E N -0.211 119.690 120.200 -0.498 0.000 2.102 429 E HA -0.075 4.273 4.350 -0.003 0.000 0.190 429 E C 1.631 178.086 176.600 -0.243 0.000 0.971 429 E CA 1.649 57.829 56.400 -0.366 0.000 0.821 429 E CB -0.914 28.683 29.700 -0.173 0.000 0.777 429 E HN 0.889 nan 8.360 nan 0.000 0.460 430 T N 0.936 115.378 114.554 -0.186 0.000 2.624 430 T HA -0.300 4.048 4.350 -0.003 0.000 0.266 430 T C 1.403 176.033 174.700 -0.116 0.000 1.050 430 T CA 2.055 64.083 62.100 -0.121 0.000 1.163 430 T CB -0.389 68.421 68.868 -0.097 0.000 0.861 430 T HN 0.347 nan 8.240 nan 0.000 0.443 431 K N 0.894 121.203 120.400 -0.152 0.000 2.646 431 K HA 0.530 4.848 4.320 -0.003 0.000 0.206 431 K C 1.240 177.758 176.600 -0.137 0.000 1.069 431 K CA -0.079 56.142 56.287 -0.111 0.000 1.067 431 K CB 0.080 32.537 32.500 -0.072 0.000 0.807 431 K HN 0.407 nan 8.250 nan 0.000 0.482 432 G N 1.379 110.029 108.800 -0.250 0.000 2.439 432 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.305 432 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.305 432 G C 0.045 174.936 174.900 -0.015 0.000 0.966 432 G CA 0.711 45.668 45.100 -0.239 0.000 0.890 432 G HN 0.263 nan 8.290 nan 0.000 0.513 433 V N -0.663 119.160 119.914 -0.151 0.000 2.815 433 V HA 0.525 4.643 4.120 -0.003 0.000 0.314 433 V C -0.056 176.099 176.094 0.102 0.000 1.064 433 V CA -1.445 60.877 62.300 0.036 0.000 0.952 433 V CB 1.689 33.536 31.823 0.041 0.000 1.020 433 V HN 0.169 nan 8.190 nan 0.000 0.439 434 Y N 2.104 122.592 120.300 0.314 0.000 2.436 434 Y HA 0.333 4.881 4.550 -0.003 0.000 0.343 434 Y C 0.769 176.803 175.900 0.223 0.000 1.008 434 Y CA -0.121 58.160 58.100 0.302 0.000 1.241 434 Y CB 0.312 38.913 38.460 0.235 0.000 1.153 434 Y HN 0.577 nan 8.280 nan 0.000 0.521 435 E N 3.225 123.627 120.200 0.337 0.000 2.179 435 E HA 0.221 4.569 4.350 -0.003 0.000 0.275 435 E C -0.563 176.142 176.600 0.175 0.000 0.945 435 E CA -1.183 55.361 56.400 0.239 0.000 0.792 435 E CB 1.923 31.699 29.700 0.127 0.000 1.125 435 E HN 0.450 nan 8.360 nan 0.000 0.397 436 K N 1.655 122.139 120.400 0.139 0.000 2.380 436 K HA 0.045 4.364 4.320 -0.003 0.000 0.267 436 K C -0.037 176.530 176.600 -0.055 0.000 0.990 436 K CA -0.015 56.190 56.287 -0.136 0.000 0.946 436 K CB 0.696 33.049 32.500 -0.244 0.000 0.937 436 K HN 0.325 nan 8.250 nan 0.000 0.491 437 V N 2.401 122.259 119.914 -0.094 0.000 3.134 437 V HA 0.124 4.242 4.120 -0.003 0.000 0.222 437 V C 1.463 177.525 176.094 -0.052 0.000 1.247 437 V CA 0.926 63.201 62.300 -0.043 0.000 1.281 437 V CB -0.253 31.555 31.823 -0.024 0.000 1.169 437 V HN 1.028 nan 8.190 nan 0.000 0.512 438 G N -0.157 108.599 108.800 -0.074 0.000 2.913 438 G HA2 0.073 4.031 3.960 -0.003 0.000 0.145 438 G HA3 0.073 4.031 3.960 -0.003 0.000 0.145 438 G C 0.048 174.905 174.900 -0.072 0.000 1.801 438 G CA 0.104 45.167 45.100 -0.061 0.000 1.033 438 G HN 0.425 nan 8.290 nan 0.000 0.495 439 E N -0.593 119.561 120.200 -0.077 0.000 2.248 439 E HA 0.499 4.847 4.350 -0.003 0.000 0.272 439 E C 1.431 177.967 176.600 -0.106 0.000 1.008 439 E CA -0.175 56.182 56.400 -0.071 0.000 0.856 439 E CB 1.667 31.333 29.700 -0.058 0.000 1.120 439 E HN 0.323 nan 8.360 nan 0.000 0.397 440 A N 2.455 125.234 122.820 -0.068 0.000 1.884 440 A HA -0.282 4.036 4.320 -0.003 0.000 0.219 440 A C 2.180 179.742 177.584 -0.036 0.000 1.197 440 A CA 2.826 54.843 52.037 -0.035 0.000 0.637 440 A CB -1.491 17.545 19.000 0.061 0.000 0.827 440 A HN 0.825 nan 8.150 nan 0.000 0.450 441 T N -2.354 112.178 114.554 -0.037 0.000 2.995 441 T HA -0.061 4.287 4.350 -0.003 0.000 0.269 441 T C 1.526 176.192 174.700 -0.058 0.000 1.091 441 T CA 1.635 63.714 62.100 -0.035 0.000 1.128 441 T CB -0.258 68.576 68.868 -0.058 0.000 0.891 441 T HN 0.657 nan 8.240 nan 0.000 0.492 442 E N 0.366 120.514 120.200 -0.087 0.000 2.099 442 E HA 0.002 4.350 4.350 -0.003 0.000 0.191 442 E C 2.270 178.798 176.600 -0.120 0.000 0.962 442 E CA 1.009 57.356 56.400 -0.088 0.000 0.826 442 E CB -0.366 29.287 29.700 -0.079 0.000 0.788 442 E HN 0.455 nan 8.360 nan 0.000 0.461 443 T N 0.184 114.623 114.554 -0.192 0.000 3.052 443 T HA -0.101 4.247 4.350 -0.003 0.000 0.270 443 T C 1.475 175.996 174.700 -0.299 0.000 1.147 443 T CA 1.092 63.013 62.100 -0.298 0.000 1.089 443 T CB -0.104 68.466 68.868 -0.497 0.000 0.875 443 T HN 0.217 nan 8.240 nan 0.000 0.541 444 A N 0.753 123.482 122.820 -0.153 0.000 1.881 444 A HA 0.338 4.656 4.320 -0.003 0.000 0.210 444 A C 2.196 179.771 177.584 -0.015 0.000 1.239 444 A CA 0.447 52.492 52.037 0.013 0.000 0.629 444 A CB -0.654 18.403 19.000 0.095 0.000 0.906 444 A HN 0.506 nan 8.150 nan 0.000 0.460 445 L N 0.941 122.141 121.223 -0.038 0.000 2.197 445 L HA -0.229 4.109 4.340 -0.003 0.000 0.215 445 L C 2.868 179.702 176.870 -0.059 0.000 1.095 445 L CA 1.877 56.688 54.840 -0.049 0.000 0.764 445 L CB -1.054 40.970 42.059 -0.057 0.000 0.897 445 L HN 0.707 nan 8.230 nan 0.000 0.436 446 T N -5.299 109.216 114.554 -0.065 0.000 2.857 446 T HA -0.134 4.214 4.350 -0.003 0.000 0.266 446 T C 1.804 176.468 174.700 -0.060 0.000 1.048 446 T CA 1.477 63.538 62.100 -0.065 0.000 1.139 446 T CB -0.536 68.289 68.868 -0.071 0.000 0.874 446 T HN 0.168 nan 8.240 nan 0.000 0.455 447 T N 2.367 116.892 114.554 -0.049 0.000 2.833 447 T HA 0.038 4.386 4.350 -0.003 0.000 0.269 447 T C 1.750 176.424 174.700 -0.044 0.000 1.054 447 T CA 1.091 63.167 62.100 -0.040 0.000 1.135 447 T CB -0.528 68.355 68.868 0.025 0.000 0.869 447 T HN 0.231 nan 8.240 nan 0.000 0.466 448 L N 2.398 123.597 121.223 -0.040 0.000 2.042 448 L HA -0.071 4.267 4.340 -0.003 0.000 0.210 448 L C 2.568 179.399 176.870 -0.065 0.000 1.076 448 L CA 1.670 56.480 54.840 -0.051 0.000 0.749 448 L CB -0.987 41.037 42.059 -0.057 0.000 0.893 448 L HN 0.282 nan 8.230 nan 0.000 0.432 449 V N -2.973 116.901 119.914 -0.067 0.000 2.323 449 V HA -0.138 3.980 4.120 -0.003 0.000 0.244 449 V C 2.412 178.474 176.094 -0.054 0.000 1.041 449 V CA 1.459 63.719 62.300 -0.066 0.000 1.025 449 V CB -0.938 30.849 31.823 -0.059 0.000 0.656 449 V HN 0.395 nan 8.190 nan 0.000 0.451 450 E N 1.369 121.535 120.200 -0.056 0.000 2.048 450 E HA -0.260 4.088 4.350 -0.003 0.000 0.202 450 E C 2.209 178.778 176.600 -0.053 0.000 1.021 450 E CA 2.267 58.633 56.400 -0.057 0.000 0.825 450 E CB -0.570 29.078 29.700 -0.086 0.000 0.756 450 E HN 0.714 nan 8.360 nan 0.000 0.454 451 K N 0.202 120.568 120.400 -0.057 0.000 2.218 451 K HA -0.112 4.206 4.320 -0.003 0.000 0.205 451 K C 1.556 178.136 176.600 -0.033 0.000 1.046 451 K CA 1.302 57.562 56.287 -0.044 0.000 0.933 451 K CB -0.263 32.212 32.500 -0.042 0.000 0.728 451 K HN 0.276 nan 8.250 nan 0.000 0.454 452 M N 1.003 120.577 119.600 -0.043 0.000 3.106 452 M HA 0.225 4.703 4.480 -0.003 0.000 0.213 452 M C -1.043 175.226 176.300 -0.052 0.000 1.117 452 M CA -0.892 54.381 55.300 -0.046 0.000 0.900 452 M CB 0.093 32.647 32.600 -0.077 0.000 1.339 452 M HN -0.172 nan 8.290 nan 0.000 0.542 453 N N 0.411 119.093 118.700 -0.029 0.000 2.394 453 N HA 0.060 4.799 4.740 -0.003 0.000 0.288 453 N C 0.560 176.037 175.510 -0.056 0.000 1.272 453 N CA -0.256 52.784 53.050 -0.016 0.000 1.004 453 N CB 0.299 38.796 38.487 0.017 0.000 1.393 453 N HN 0.396 nan 8.380 nan 0.000 0.488 454 V N 0.615 120.443 119.914 -0.144 0.000 2.439 454 V HA -0.261 3.857 4.120 -0.003 0.000 0.253 454 V C 0.463 176.229 176.094 -0.547 0.000 1.074 454 V CA 1.560 63.635 62.300 -0.375 0.000 1.076 454 V CB -0.891 30.604 31.823 -0.548 0.000 0.664 454 V HN 0.618 nan 8.190 nan 0.000 0.461 455 F N 0.210 120.153 119.950 -0.012 0.000 2.942 455 F HA 0.412 4.938 4.527 -0.003 0.000 0.324 455 F C 0.670 176.467 175.800 -0.006 0.000 1.265 455 F CA -1.188 56.806 58.000 -0.009 0.000 1.255 455 F CB -0.768 38.223 39.000 -0.014 0.000 1.048 455 F HN 0.086 nan 8.300 nan 0.000 0.512 456 N N 1.745 120.499 118.700 0.089 0.000 2.882 456 N HA -0.236 4.502 4.740 -0.003 0.000 0.310 456 N C 0.206 175.762 175.510 0.078 0.000 1.127 456 N CA 0.958 54.045 53.050 0.063 0.000 0.773 456 N CB -0.090 38.423 38.487 0.044 0.000 1.007 456 N HN 0.403 nan 8.380 nan 0.000 0.594 457 T N -0.666 113.928 114.554 0.066 0.000 2.924 457 T HA 0.233 4.581 4.350 -0.003 0.000 0.291 457 T C 1.258 175.977 174.700 0.031 0.000 1.045 457 T CA -0.791 61.340 62.100 0.052 0.000 1.015 457 T CB 1.544 70.445 68.868 0.056 0.000 1.103 457 T HN 0.425 nan 8.240 nan 0.000 0.496 458 E N 2.540 122.754 120.200 0.023 0.000 2.557 458 E HA -0.158 4.190 4.350 -0.003 0.000 0.342 458 E C 1.774 178.381 176.600 0.011 0.000 0.840 458 E CA 2.488 58.897 56.400 0.015 0.000 1.962 458 E CB -1.167 28.540 29.700 0.012 0.000 0.849 458 E HN 1.553 nan 8.360 nan 0.000 0.579 459 V N -1.826 118.093 119.914 0.008 0.000 0.392 459 V HA -0.343 3.775 4.120 -0.003 0.000 0.092 459 V C 2.041 178.136 176.094 0.001 0.000 2.721 459 V CA 2.323 64.625 62.300 0.004 0.000 3.803 459 V CB -1.938 29.885 31.823 -0.000 0.000 1.060 459 V HN 0.648 nan 8.190 nan 0.000 1.116 460 R N 2.284 122.784 120.500 0.001 0.000 2.328 460 R HA 0.148 4.487 4.340 -0.003 0.000 0.207 460 R C 1.060 177.360 176.300 0.001 0.000 1.056 460 R CA 1.534 57.633 56.100 -0.001 0.000 1.016 460 R CB -0.818 29.482 30.300 0.001 0.000 0.872 460 R HN 0.776 nan 8.270 nan 0.000 0.471 461 N N 0.961 119.663 118.700 0.003 0.000 2.279 461 N HA 0.207 4.945 4.740 -0.003 0.000 0.226 461 N C -0.543 174.970 175.510 0.005 0.000 1.126 461 N CA 0.158 53.210 53.050 0.004 0.000 0.846 461 N CB 0.713 39.203 38.487 0.006 0.000 1.050 461 N HN 0.196 nan 8.380 nan 0.000 0.502 462 L N 0.114 121.339 121.223 0.004 0.000 2.371 462 L HA 0.441 4.779 4.340 -0.003 0.000 0.262 462 L C 0.522 177.393 176.870 0.002 0.000 1.006 462 L CA -1.038 53.806 54.840 0.007 0.000 0.818 462 L CB 1.834 43.898 42.059 0.009 0.000 1.354 462 L HN -0.079 nan 8.230 nan 0.000 0.415 463 S N -0.006 115.699 115.700 0.009 0.000 2.589 463 S HA 0.170 4.638 4.470 -0.003 0.000 0.265 463 S C 0.724 175.315 174.600 -0.015 0.000 1.342 463 S CA -0.565 57.637 58.200 0.003 0.000 1.005 463 S CB 1.061 64.279 63.200 0.030 0.000 0.909 463 S HN 0.669 nan 8.310 nan 0.000 0.555 464 K N 0.266 120.611 120.400 -0.092 0.000 2.147 464 K HA -0.031 4.287 4.320 -0.003 0.000 0.205 464 K C 1.325 177.909 176.600 -0.026 0.000 1.049 464 K CA 1.145 57.305 56.287 -0.212 0.000 0.936 464 K CB -0.519 31.468 32.500 -0.854 0.000 0.722 464 K HN 0.509 nan 8.250 nan 0.000 0.446 465 V N 1.197 121.182 119.914 0.118 0.000 3.623 465 V HA -0.073 4.045 4.120 -0.003 0.000 0.274 465 V C 1.539 177.718 176.094 0.140 0.000 1.244 465 V CA 1.108 63.550 62.300 0.236 0.000 1.182 465 V CB -0.689 31.279 31.823 0.242 0.000 0.925 465 V HN 0.351 nan 8.190 nan 0.000 0.462 466 E N 0.206 120.463 120.200 0.093 0.000 2.489 466 E HA 0.020 4.368 4.350 -0.003 0.000 0.208 466 E C 2.082 178.709 176.600 0.046 0.000 0.814 466 E CA -0.133 56.304 56.400 0.062 0.000 1.348 466 E CB 0.312 30.038 29.700 0.043 0.000 1.334 466 E HN 0.320 nan 8.360 nan 0.000 0.672 467 R N 1.318 121.842 120.500 0.040 0.000 2.115 467 R HA 0.057 4.395 4.340 -0.003 0.000 0.230 467 R C 1.942 178.236 176.300 -0.009 0.000 1.111 467 R CA 1.788 57.895 56.100 0.012 0.000 0.976 467 R CB -0.546 29.756 30.300 0.004 0.000 0.870 467 R HN 0.185 nan 8.270 nan 0.000 0.445 468 A N 0.514 123.355 122.820 0.034 0.000 1.883 468 A HA -0.127 4.191 4.320 -0.003 0.000 0.217 468 A C 0.845 178.419 177.584 -0.017 0.000 1.186 468 A CA 1.801 53.831 52.037 -0.012 0.000 0.624 468 A CB -0.289 18.798 19.000 0.146 0.000 0.822 468 A HN 0.477 nan 8.150 nan 0.000 0.444 469 N N -0.946 117.764 118.700 0.017 0.000 2.598 469 N HA 0.442 5.180 4.740 -0.003 0.000 0.309 469 N C 0.016 175.530 175.510 0.007 0.000 1.645 469 N CA 0.680 53.734 53.050 0.007 0.000 0.936 469 N CB 1.063 39.562 38.487 0.020 0.000 1.323 469 N HN 0.398 nan 8.380 nan 0.000 0.497 470 A N -1.115 121.706 122.820 0.001 0.000 2.503 470 A HA 0.255 4.574 4.320 -0.003 0.000 0.263 470 A C 1.301 178.889 177.584 0.006 0.000 1.258 470 A CA -0.105 51.935 52.037 0.005 0.000 0.936 470 A CB -0.010 18.995 19.000 0.008 0.000 1.070 470 A HN 0.403 nan 8.150 nan 0.000 0.522 471 C N -1.561 117.740 119.300 0.002 0.000 3.449 471 C HA 0.201 4.659 4.460 -0.003 0.000 0.404 471 C C 2.195 177.193 174.990 0.014 0.000 1.383 471 C CA 0.154 59.181 59.018 0.014 0.000 1.936 471 C CB -0.375 27.366 27.740 0.003 0.000 2.738 471 C HN 0.669 nan 8.230 nan 0.000 0.663 472 N N 1.726 120.424 118.700 -0.002 0.000 2.148 472 N HA -0.097 4.641 4.740 -0.003 0.000 0.186 472 N C 1.986 177.496 175.510 -0.001 0.000 1.031 472 N CA 1.870 54.916 53.050 -0.008 0.000 0.848 472 N CB -0.351 38.126 38.487 -0.018 0.000 1.005 472 N HN 0.584 nan 8.380 nan 0.000 0.427 473 S N 1.445 117.146 115.700 0.001 0.000 2.389 473 S HA -0.211 4.257 4.470 -0.003 0.000 0.231 473 S C 2.368 176.966 174.600 -0.003 0.000 1.052 473 S CA 2.244 60.445 58.200 0.002 0.000 1.053 473 S CB -1.377 61.825 63.200 0.005 0.000 0.886 473 S HN 0.260 nan 8.310 nan 0.000 0.456 474 V N 1.231 121.144 119.914 -0.002 0.000 2.261 474 V HA -0.107 4.011 4.120 -0.003 0.000 0.246 474 V C 2.337 178.413 176.094 -0.029 0.000 1.047 474 V CA 1.945 64.235 62.300 -0.017 0.000 1.015 474 V CB -1.115 30.707 31.823 -0.001 0.000 0.642 474 V HN 0.577 nan 8.190 nan 0.000 0.446 475 I N 0.076 120.646 120.570 -0.001 0.000 2.454 475 I HA -0.156 4.012 4.170 -0.003 0.000 0.254 475 I C 3.013 179.126 176.117 -0.006 0.000 1.156 475 I CA 1.647 62.947 61.300 -0.001 0.000 1.433 475 I CB -0.495 37.516 38.000 0.019 0.000 1.082 475 I HN 0.281 nan 8.210 nan 0.000 0.432 476 R N 0.707 121.206 120.500 -0.003 0.000 2.189 476 R HA -0.126 4.212 4.340 -0.003 0.000 0.223 476 R C 1.537 177.840 176.300 0.005 0.000 1.092 476 R CA 0.883 56.987 56.100 0.007 0.000 0.989 476 R CB -0.160 30.144 30.300 0.007 0.000 0.876 476 R HN 0.534 nan 8.270 nan 0.000 0.457 477 Q N 0.071 119.865 119.800 -0.011 0.000 2.280 477 Q HA 0.147 4.485 4.340 -0.003 0.000 0.201 477 Q C 1.208 177.190 176.000 -0.030 0.000 0.890 477 Q CA 0.109 55.901 55.803 -0.017 0.000 0.947 477 Q CB 0.630 29.354 28.738 -0.023 0.000 1.081 477 Q HN 0.330 nan 8.270 nan 0.000 0.502 478 L N -0.829 120.375 121.223 -0.032 0.000 2.590 478 L HA 0.293 4.631 4.340 -0.003 0.000 0.227 478 L C 0.436 177.305 176.870 -0.001 0.000 1.099 478 L CA 0.292 55.105 54.840 -0.044 0.000 0.872 478 L CB 0.310 42.317 42.059 -0.086 0.000 1.088 478 L HN 0.209 nan 8.230 nan 0.000 0.479 479 M N -0.193 119.423 119.600 0.027 0.000 2.618 479 M HA 0.399 4.878 4.480 -0.003 0.000 0.281 479 M C -1.359 174.967 176.300 0.042 0.000 1.267 479 M CA -0.627 54.704 55.300 0.052 0.000 0.845 479 M CB 2.559 35.237 32.600 0.129 0.000 1.732 479 M HN -0.297 nan 8.290 nan 0.000 0.461 480 K N 1.275 121.697 120.400 0.035 0.000 2.323 480 K HA 0.339 4.657 4.320 -0.003 0.000 0.259 480 K C -0.858 175.762 176.600 0.034 0.000 0.947 480 K CA -0.254 56.054 56.287 0.034 0.000 0.819 480 K CB 1.300 33.819 32.500 0.032 0.000 1.109 480 K HN 0.509 nan 8.250 nan 0.000 0.429 481 K N 4.339 124.764 120.400 0.040 0.000 2.167 481 K HA 0.022 4.340 4.320 -0.003 0.000 0.275 481 K C 0.210 176.840 176.600 0.049 0.000 1.103 481 K CA -0.038 56.270 56.287 0.034 0.000 0.963 481 K CB 0.441 32.969 32.500 0.046 0.000 1.243 481 K HN 0.606 nan 8.250 nan 0.000 0.407 482 E N 2.572 122.794 120.200 0.036 0.000 2.077 482 E HA -0.136 4.212 4.350 -0.003 0.000 0.193 482 E C 0.303 177.054 176.600 0.252 0.000 0.989 482 E CA 1.193 57.661 56.400 0.113 0.000 0.800 482 E CB -0.233 29.535 29.700 0.114 0.000 0.746 482 E HN 0.565 nan 8.360 nan 0.000 0.452 483 F N -3.080 116.932 119.950 0.103 0.000 3.069 483 F HA 0.358 4.883 4.527 -0.003 0.000 0.333 483 F C -0.918 174.949 175.800 0.112 0.000 1.111 483 F CA -1.013 57.036 58.000 0.081 0.000 0.868 483 F CB 1.000 40.028 39.000 0.047 0.000 1.409 483 F HN -0.241 nan 8.300 nan 0.000 0.450 484 T N 0.832 115.598 114.554 0.354 0.000 2.906 484 T HA 0.723 5.071 4.350 -0.003 0.000 0.295 484 T C -1.582 173.268 174.700 0.251 0.000 1.061 484 T CA -0.843 61.377 62.100 0.200 0.000 1.000 484 T CB 1.658 70.589 68.868 0.105 0.000 1.103 484 T HN 0.882 nan 8.240 nan 0.000 0.486 485 L N 4.572 125.857 121.223 0.104 0.000 2.360 485 L HA 0.371 4.710 4.340 -0.003 0.000 0.265 485 L C 1.018 177.683 176.870 -0.341 0.000 1.066 485 L CA -1.025 53.663 54.840 -0.254 0.000 0.929 485 L CB 0.576 42.613 42.059 -0.036 0.000 1.306 485 L HN 0.801 nan 8.230 nan 0.000 0.434 486 E N 2.308 122.336 120.200 -0.287 0.000 2.537 486 E HA -0.197 4.151 4.350 -0.003 0.000 0.269 486 E C -0.672 175.881 176.600 -0.079 0.000 1.038 486 E CA -0.002 56.331 56.400 -0.113 0.000 0.977 486 E CB 0.772 30.445 29.700 -0.046 0.000 0.973 486 E HN 0.307 nan 8.360 nan 0.000 0.456 487 F N 2.213 122.131 119.950 -0.053 0.000 2.495 487 F HA 0.157 4.683 4.527 -0.003 0.000 0.365 487 F C -0.096 175.709 175.800 0.008 0.000 1.090 487 F CA 0.172 58.164 58.000 -0.013 0.000 1.235 487 F CB 0.532 39.535 39.000 0.004 0.000 1.119 487 F HN 0.454 nan 8.300 nan 0.000 0.562 488 S N 5.949 121.099 115.700 -0.916 0.000 2.594 488 S HA 0.429 4.897 4.470 -0.003 0.000 0.296 488 S C 0.516 174.615 174.600 -0.836 0.000 1.124 488 S CA -1.078 56.764 58.200 -0.596 0.000 1.011 488 S CB 1.856 64.930 63.200 -0.210 0.000 1.016 488 S HN 0.831 nan 8.310 nan 0.000 0.485 489 R N 1.443 121.655 120.500 -0.479 0.000 2.332 489 R HA -0.154 4.184 4.340 -0.003 0.000 0.239 489 R C 1.485 177.702 176.300 -0.139 0.000 1.160 489 R CA 1.852 57.823 56.100 -0.215 0.000 1.020 489 R CB -0.388 29.934 30.300 0.036 0.000 0.859 489 R HN 0.889 nan 8.270 nan 0.000 0.478 490 D N 0.782 121.094 120.400 -0.147 0.000 2.085 490 D HA -0.211 4.427 4.640 -0.003 0.000 0.199 490 D C 1.545 177.805 176.300 -0.067 0.000 0.981 490 D CA 1.126 55.086 54.000 -0.066 0.000 0.834 490 D CB -0.354 40.423 40.800 -0.038 0.000 0.992 490 D HN 0.342 nan 8.370 nan 0.000 0.457 491 R N 0.523 120.957 120.500 -0.111 0.000 2.334 491 R HA 0.081 4.419 4.340 -0.003 0.000 0.220 491 R C 0.017 176.287 176.300 -0.051 0.000 0.917 491 R CA -0.461 55.606 56.100 -0.056 0.000 1.073 491 R CB -0.135 30.154 30.300 -0.019 0.000 1.056 491 R HN -0.217 nan 8.270 nan 0.000 0.506 492 K N 1.926 122.244 120.400 -0.136 0.000 4.166 492 K HA -0.235 4.083 4.320 -0.003 0.000 0.276 492 K C -0.742 176.070 176.600 0.354 0.000 0.808 492 K CA 1.544 57.924 56.287 0.154 0.000 0.717 492 K CB -1.605 31.038 32.500 0.237 0.000 1.774 492 K HN 0.809 nan 8.250 nan 0.000 0.427 493 S N -1.360 114.547 115.700 0.345 0.000 2.690 493 S HA 0.632 5.100 4.470 -0.003 0.000 0.264 493 S C -0.804 173.989 174.600 0.321 0.000 1.040 493 S CA -0.629 57.800 58.200 0.383 0.000 0.869 493 S CB 1.839 65.157 63.200 0.197 0.000 1.132 493 S HN 0.636 nan 8.310 nan 0.000 0.474 494 M N 0.218 119.958 119.600 0.232 0.000 2.813 494 M HA 0.879 5.357 4.480 -0.003 0.000 0.270 494 M C -1.608 174.762 176.300 0.117 0.000 1.267 494 M CA -0.330 55.061 55.300 0.152 0.000 0.822 494 M CB 1.788 34.491 32.600 0.173 0.000 1.671 494 M HN 1.686 nan 8.290 nan 0.000 0.468 495 S N 0.519 116.273 115.700 0.090 0.000 2.552 495 S HA 0.758 5.226 4.470 -0.003 0.000 0.272 495 S C -1.128 173.508 174.600 0.059 0.000 1.150 495 S CA -0.375 57.879 58.200 0.090 0.000 0.849 495 S CB 1.446 64.709 63.200 0.105 0.000 1.113 495 S HN 1.617 nan 8.310 nan 0.000 0.458 496 V N -0.091 119.839 119.914 0.026 0.000 2.604 496 V HA 0.694 4.812 4.120 -0.003 0.000 0.305 496 V C -0.983 174.971 176.094 -0.233 0.000 1.043 496 V CA -0.942 61.330 62.300 -0.046 0.000 0.888 496 V CB 1.073 32.916 31.823 0.034 0.000 0.995 496 V HN 0.993 nan 8.190 nan 0.000 0.429 497 Y N 3.569 123.538 120.300 -0.553 0.000 2.365 497 Y HA 0.643 5.191 4.550 -0.003 0.000 0.340 497 Y C 0.102 175.691 175.900 -0.519 0.000 1.016 497 Y CA 0.002 57.659 58.100 -0.738 0.000 1.196 497 Y CB 0.795 38.271 38.460 -1.640 0.000 1.167 497 Y HN 0.971 nan 8.280 nan 0.000 0.509 498 C N 3.607 122.553 119.300 -0.590 0.000 2.707 498 C HA 0.764 5.222 4.460 -0.003 0.000 0.313 498 C C -0.499 174.360 174.990 -0.218 0.000 1.209 498 C CA -0.995 57.853 59.018 -0.282 0.000 1.635 498 C CB 1.101 28.690 27.740 -0.252 0.000 2.206 498 C HN 0.865 nan 8.230 nan 0.000 0.485 499 S N 1.844 117.514 115.700 -0.049 0.000 2.542 499 S HA 0.803 5.271 4.470 -0.003 0.000 0.293 499 S C -2.914 171.682 174.600 -0.006 0.000 1.089 499 S CA -0.983 57.209 58.200 -0.013 0.000 0.961 499 S CB 1.954 65.185 63.200 0.052 0.000 1.062 499 S HN 0.627 nan 8.310 nan 0.000 0.483 500 P HA 0.348 nan 4.420 nan 0.000 0.293 500 P C -0.844 176.460 177.300 0.007 0.000 1.298 500 P CA -0.517 62.587 63.100 0.006 0.000 0.757 500 P CB 0.398 32.099 31.700 0.002 0.000 1.262 501 A N 0.176 122.997 122.820 0.002 0.000 2.260 501 A HA 0.311 4.629 4.320 -0.003 0.000 0.312 501 A C 0.424 178.005 177.584 -0.005 0.000 1.321 501 A CA -0.745 51.290 52.037 -0.002 0.000 0.928 501 A CB -0.470 18.524 19.000 -0.011 0.000 1.158 501 A HN 0.499 nan 8.150 nan 0.000 0.542 502 K N 2.538 122.938 120.400 -0.001 0.000 2.547 502 K HA -0.032 4.286 4.320 -0.003 0.000 0.275 502 K C 0.729 177.326 176.600 -0.006 0.000 1.001 502 K CA 1.012 57.299 56.287 -0.001 0.000 1.111 502 K CB -0.228 32.272 32.500 0.001 0.000 0.832 502 K HN 1.902 nan 8.250 nan 0.000 0.485 503 S N 0.100 115.796 115.700 -0.006 0.000 2.675 503 S HA -0.305 4.163 4.470 -0.003 0.000 0.258 503 S C 1.185 175.777 174.600 -0.013 0.000 1.282 503 S CA 1.623 59.818 58.200 -0.008 0.000 1.471 503 S CB -2.434 60.762 63.200 -0.007 0.000 1.848 503 S HN 1.210 nan 8.310 nan 0.000 0.655 504 S N 0.440 116.129 115.700 -0.018 0.000 2.475 504 S HA 0.396 4.865 4.470 -0.003 0.000 0.224 504 S C 1.280 175.863 174.600 -0.028 0.000 1.042 504 S CA 0.074 58.257 58.200 -0.029 0.000 0.935 504 S CB 0.061 63.237 63.200 -0.041 0.000 0.801 504 S HN 0.511 nan 8.310 nan 0.000 0.509 505 R N 0.422 120.912 120.500 -0.018 0.000 2.548 505 R HA 0.429 4.767 4.340 -0.003 0.000 0.449 505 R C 0.154 176.455 176.300 0.001 0.000 0.928 505 R CA 0.509 56.604 56.100 -0.007 0.000 1.107 505 R CB 0.062 30.358 30.300 -0.006 0.000 1.557 505 R HN 0.402 nan 8.270 nan 0.000 0.584 506 A N 0.718 123.537 122.820 -0.002 0.000 2.416 506 A HA 0.370 4.689 4.320 -0.003 0.000 0.252 506 A C 1.801 179.383 177.584 -0.002 0.000 1.353 506 A CA 0.736 52.772 52.037 -0.002 0.000 0.996 506 A CB -0.270 18.729 19.000 -0.002 0.000 0.961 506 A HN 0.273 nan 8.150 nan 0.000 0.523 507 A N -0.704 122.116 122.820 0.001 0.000 1.873 507 A HA -0.078 4.240 4.320 -0.003 0.000 0.218 507 A C 1.761 179.343 177.584 -0.004 0.000 1.193 507 A CA 2.376 54.414 52.037 0.001 0.000 0.629 507 A CB -0.331 18.674 19.000 0.007 0.000 0.826 507 A HN 0.683 nan 8.150 nan 0.000 0.447 508 V N -2.519 117.390 119.914 -0.008 0.000 3.548 508 V HA 0.415 4.533 4.120 -0.003 0.000 0.279 508 V C 1.516 177.593 176.094 -0.027 0.000 1.446 508 V CA 0.621 62.910 62.300 -0.018 0.000 1.023 508 V CB -0.623 31.186 31.823 -0.023 0.000 0.820 508 V HN 1.231 nan 8.190 nan 0.000 0.438 509 G N 1.585 110.369 108.800 -0.026 0.000 2.556 509 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.283 509 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.283 509 G C -0.051 174.798 174.900 -0.084 0.000 1.177 509 G CA 0.189 45.269 45.100 -0.035 0.000 0.978 509 G HN 0.491 nan 8.290 nan 0.000 0.554 510 N N 2.139 120.791 118.700 -0.080 0.000 2.160 510 N HA 0.204 4.942 4.740 -0.003 0.000 0.283 510 N C 0.400 175.693 175.510 -0.362 0.000 1.363 510 N CA 0.920 53.862 53.050 -0.180 0.000 0.848 510 N CB 0.278 38.759 38.487 -0.011 0.000 1.127 510 N HN 0.507 nan 8.380 nan 0.000 0.493 511 K N 1.737 121.790 120.400 -0.578 0.000 2.306 511 K HA 0.525 4.843 4.320 -0.003 0.000 0.236 511 K C -0.117 175.887 176.600 -0.994 0.000 1.013 511 K CA -0.593 55.267 56.287 -0.711 0.000 0.857 511 K CB 1.764 33.785 32.500 -0.797 0.000 1.214 511 K HN 0.414 nan 8.250 nan 0.000 0.449 512 M N 1.920 121.033 119.600 -0.812 0.000 2.124 512 M HA 0.326 4.804 4.480 -0.003 0.000 0.280 512 M C -1.541 174.522 176.300 -0.395 0.000 0.954 512 M CA -0.623 54.311 55.300 -0.610 0.000 0.958 512 M CB 0.880 33.289 32.600 -0.319 0.000 1.611 512 M HN 0.307 nan 8.290 nan 0.000 0.449 513 F N 3.707 123.588 119.950 -0.114 0.000 2.313 513 F HA 0.454 4.979 4.527 -0.003 0.000 0.369 513 F C 0.033 175.812 175.800 -0.035 0.000 1.109 513 F CA -0.960 56.997 58.000 -0.071 0.000 1.132 513 F CB 0.754 39.707 39.000 -0.077 0.000 1.291 513 F HN 0.190 nan 8.300 nan 0.000 0.496 514 V N 5.756 125.772 119.914 0.170 0.000 2.483 514 V HA 0.702 4.820 4.120 -0.003 0.000 0.295 514 V C -0.691 175.457 176.094 0.090 0.000 1.035 514 V CA -0.538 61.834 62.300 0.120 0.000 0.896 514 V CB 1.547 33.439 31.823 0.115 0.000 0.986 514 V HN 0.802 nan 8.190 nan 0.000 0.447 515 K N 5.119 125.572 120.400 0.088 0.000 2.426 515 K HA 0.989 5.307 4.320 -0.003 0.000 0.251 515 K C -0.429 176.237 176.600 0.110 0.000 0.941 515 K CA -0.254 56.073 56.287 0.067 0.000 0.808 515 K CB 2.424 34.942 32.500 0.030 0.000 1.265 515 K HN 1.197 nan 8.250 nan 0.000 0.432 516 G N 0.227 109.091 108.800 0.107 0.000 2.321 516 G HA2 0.450 4.408 3.960 -0.003 0.000 0.296 516 G HA3 0.450 4.408 3.960 -0.003 0.000 0.296 516 G C -1.496 173.481 174.900 0.129 0.000 1.287 516 G CA -0.613 44.582 45.100 0.158 0.000 0.846 516 G HN 0.764 nan 8.290 nan 0.000 0.508 517 A N 0.323 123.239 122.820 0.160 0.000 2.531 517 A HA 0.538 4.857 4.320 -0.003 0.000 0.236 517 A C -0.799 176.848 177.584 0.105 0.000 1.062 517 A CA 0.336 52.446 52.037 0.122 0.000 0.760 517 A CB 0.042 19.125 19.000 0.138 0.000 0.995 517 A HN 0.351 nan 8.150 nan 0.000 0.501 518 P HA -0.171 nan 4.420 nan 0.000 0.215 518 P C 0.913 178.245 177.300 0.053 0.000 1.153 518 P CA 1.662 64.807 63.100 0.075 0.000 0.853 518 P CB 0.158 31.893 31.700 0.059 0.000 0.788 519 E N -0.271 119.958 120.200 0.048 0.000 2.013 519 E HA -0.185 4.163 4.350 -0.003 0.000 0.202 519 E C 2.303 178.926 176.600 0.038 0.000 1.018 519 E CA 1.879 58.299 56.400 0.034 0.000 0.834 519 E CB -1.764 27.961 29.700 0.041 0.000 0.770 519 E HN 0.178 nan 8.360 nan 0.000 0.459 520 G N 1.105 109.940 108.800 0.058 0.000 2.679 520 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.217 520 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.217 520 G C 1.822 176.759 174.900 0.062 0.000 1.267 520 G CA 2.584 47.720 45.100 0.060 0.000 0.799 520 G HN 0.299 nan 8.290 nan 0.000 0.606 521 V N 0.361 120.326 119.914 0.086 0.000 2.220 521 V HA -0.305 3.813 4.120 -0.003 0.000 0.250 521 V C 2.761 178.907 176.094 0.087 0.000 1.056 521 V CA 2.324 64.684 62.300 0.100 0.000 1.016 521 V CB -1.026 30.877 31.823 0.135 0.000 0.639 521 V HN 0.434 nan 8.190 nan 0.000 0.446 522 I N 0.887 121.498 120.570 0.069 0.000 2.229 522 I HA -0.294 3.875 4.170 -0.003 0.000 0.250 522 I C 2.561 178.674 176.117 -0.006 0.000 1.096 522 I CA 2.238 63.544 61.300 0.009 0.000 1.358 522 I CB -0.807 37.140 38.000 -0.088 0.000 1.047 522 I HN 0.441 nan 8.210 nan 0.000 0.422 523 D N 0.899 121.300 120.400 0.001 0.000 2.097 523 D HA -0.142 4.496 4.640 -0.003 0.000 0.197 523 D C 1.960 178.258 176.300 -0.004 0.000 0.984 523 D CA 1.173 55.168 54.000 -0.008 0.000 0.826 523 D CB -0.343 40.457 40.800 -0.000 0.000 0.973 523 D HN 0.368 nan 8.370 nan 0.000 0.460 524 R N -0.263 120.249 120.500 0.020 0.000 2.346 524 R HA 0.082 4.420 4.340 -0.003 0.000 0.208 524 R C -0.092 176.222 176.300 0.023 0.000 1.052 524 R CA -0.141 55.974 56.100 0.025 0.000 1.116 524 R CB -0.334 29.996 30.300 0.051 0.000 1.003 524 R HN 0.061 nan 8.270 nan 0.000 0.482 525 C N 0.930 120.236 119.300 0.010 0.000 2.281 525 C HA 0.282 4.740 4.460 -0.003 0.000 0.325 525 C C 0.912 175.842 174.990 -0.100 0.000 1.282 525 C CA -0.892 58.132 59.018 0.010 0.000 1.640 525 C CB 0.706 28.497 27.740 0.086 0.000 2.288 525 C HN 0.494 nan 8.230 nan 0.000 0.507 526 N N 1.386 119.930 118.700 -0.259 0.000 2.205 526 N HA 0.177 4.915 4.740 -0.003 0.000 0.201 526 N C -0.997 174.012 175.510 -0.835 0.000 1.128 526 N CA 0.405 53.112 53.050 -0.571 0.000 0.867 526 N CB 0.569 38.577 38.487 -0.799 0.000 0.996 526 N HN 0.693 nan 8.380 nan 0.000 0.503 527 Y N -0.919 119.425 120.300 0.072 0.000 2.638 527 Y HA 0.454 5.002 4.550 -0.003 0.000 0.335 527 Y C -0.332 175.640 175.900 0.120 0.000 1.155 527 Y CA -1.577 56.570 58.100 0.079 0.000 1.046 527 Y CB 1.251 39.751 38.460 0.067 0.000 1.303 527 Y HN -0.274 nan 8.280 nan 0.000 0.460 528 V N -0.658 119.434 119.914 0.298 0.000 2.577 528 V HA 0.656 4.774 4.120 -0.003 0.000 0.303 528 V C -0.701 175.519 176.094 0.210 0.000 1.042 528 V CA -1.188 61.279 62.300 0.277 0.000 0.872 528 V CB 1.786 33.762 31.823 0.255 0.000 0.998 528 V HN 0.831 nan 8.190 nan 0.000 0.423 529 R N 3.244 123.843 120.500 0.165 0.000 2.216 529 R HA 0.580 4.918 4.340 -0.003 0.000 0.332 529 R C -0.162 176.201 176.300 0.104 0.000 1.056 529 R CA -0.374 55.788 56.100 0.103 0.000 0.901 529 R CB 1.524 31.855 30.300 0.052 0.000 1.039 529 R HN 0.985 nan 8.270 nan 0.000 0.456 530 V N 2.527 122.503 119.914 0.102 0.000 2.125 530 V HA 0.405 4.524 4.120 -0.003 0.000 0.263 530 V C 0.541 176.688 176.094 0.089 0.000 1.365 530 V CA -0.274 62.090 62.300 0.107 0.000 1.276 530 V CB 0.030 31.915 31.823 0.104 0.000 1.350 530 V HN 0.924 nan 8.190 nan 0.000 0.487 531 G N 2.741 111.591 108.800 0.083 0.000 2.622 531 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.173 531 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.173 531 G C 0.381 175.313 174.900 0.054 0.000 0.190 531 G CA 0.720 45.865 45.100 0.074 0.000 1.082 531 G HN 2.176 nan 8.290 nan 0.000 0.505 532 T N -0.442 114.135 114.554 0.039 0.000 3.639 532 T HA 0.023 4.371 4.350 -0.003 0.000 0.386 532 T C 0.563 175.280 174.700 0.029 0.000 0.764 532 T CA 2.809 64.928 62.100 0.032 0.000 1.954 532 T CB -1.461 67.425 68.868 0.030 0.000 1.755 532 T HN 2.925 nan 8.240 nan 0.000 0.715 533 T N 0.288 114.860 114.554 0.030 0.000 3.013 533 T HA 0.467 4.815 4.350 -0.003 0.000 0.359 533 T C -1.618 173.101 174.700 0.031 0.000 1.845 533 T CA -0.478 61.637 62.100 0.024 0.000 1.075 533 T CB 1.383 70.270 68.868 0.031 0.000 1.727 533 T HN 0.654 nan 8.240 nan 0.000 0.503 534 R N 2.269 122.777 120.500 0.013 0.000 2.807 534 R HA 0.894 5.232 4.340 -0.003 0.000 0.276 534 R C -1.737 174.586 176.300 0.039 0.000 0.979 534 R CA -0.652 55.461 56.100 0.023 0.000 0.928 534 R CB 2.041 32.309 30.300 -0.054 0.000 1.191 534 R HN 0.542 nan 8.270 nan 0.000 0.471 535 V N 3.533 123.509 119.914 0.105 0.000 2.971 535 V HA 0.464 4.583 4.120 -0.003 0.000 0.309 535 V C -2.378 173.854 176.094 0.230 0.000 1.130 535 V CA -1.818 60.558 62.300 0.128 0.000 0.964 535 V CB 2.249 34.136 31.823 0.107 0.000 1.029 535 V HN 0.821 nan 8.190 nan 0.000 0.427 536 P HA 0.098 nan 4.420 nan 0.000 0.268 536 P C -0.313 177.067 177.300 0.133 0.000 1.204 536 P CA -0.217 63.047 63.100 0.275 0.000 0.768 536 P CB 0.618 32.432 31.700 0.190 0.000 0.842 537 M N 4.027 123.665 119.600 0.064 0.000 2.246 537 M HA 0.129 4.607 4.480 -0.003 0.000 0.327 537 M C -0.268 176.034 176.300 0.003 0.000 1.090 537 M CA 1.488 56.800 55.300 0.019 0.000 1.087 537 M CB -0.072 32.503 32.600 -0.041 0.000 1.587 537 M HN 0.541 nan 8.290 nan 0.000 0.444 538 T N 1.662 116.215 114.554 -0.003 0.000 2.894 538 T HA 0.593 4.941 4.350 -0.003 0.000 0.309 538 T C 0.835 175.517 174.700 -0.029 0.000 1.208 538 T CA -0.662 61.431 62.100 -0.012 0.000 1.016 538 T CB 1.132 70.000 68.868 0.001 0.000 1.192 538 T HN 0.835 nan 8.240 nan 0.000 0.491 539 G N 2.398 111.178 108.800 -0.034 0.000 2.808 539 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.225 539 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.225 539 G C -0.259 174.612 174.900 -0.048 0.000 1.210 539 G CA 1.750 46.825 45.100 -0.042 0.000 0.777 539 G HN 0.744 nan 8.290 nan 0.000 0.640 540 P HA -0.096 nan 4.420 nan 0.000 0.211 540 P C 2.114 179.384 177.300 -0.051 0.000 1.179 540 P CA 2.293 65.361 63.100 -0.052 0.000 0.910 540 P CB -0.585 31.081 31.700 -0.057 0.000 0.785 541 V N 0.938 120.831 119.914 -0.035 0.000 2.453 541 V HA -0.240 3.879 4.120 -0.003 0.000 0.252 541 V C 2.869 178.919 176.094 -0.074 0.000 1.068 541 V CA 2.192 64.473 62.300 -0.032 0.000 1.070 541 V CB -1.504 30.323 31.823 0.006 0.000 0.664 541 V HN 0.192 nan 8.190 nan 0.000 0.461 542 K N -0.245 120.106 120.400 -0.082 0.000 2.057 542 K HA -0.170 4.148 4.320 -0.003 0.000 0.206 542 K C 2.236 178.767 176.600 -0.115 0.000 1.050 542 K CA 1.217 57.434 56.287 -0.117 0.000 0.935 542 K CB -0.017 32.426 32.500 -0.094 0.000 0.715 542 K HN 0.376 nan 8.250 nan 0.000 0.439 543 E N 1.049 121.196 120.200 -0.089 0.000 2.072 543 E HA -0.186 4.162 4.350 -0.003 0.000 0.191 543 E C 1.834 178.373 176.600 -0.102 0.000 0.985 543 E CA 1.096 57.445 56.400 -0.084 0.000 0.801 543 E CB -0.143 29.516 29.700 -0.068 0.000 0.750 543 E HN 0.114 nan 8.360 nan 0.000 0.452 544 K N 1.092 121.429 120.400 -0.106 0.000 2.063 544 K HA -0.061 4.257 4.320 -0.003 0.000 0.208 544 K C 2.067 178.551 176.600 -0.193 0.000 1.048 544 K CA 0.908 57.112 56.287 -0.139 0.000 0.928 544 K CB -0.514 31.915 32.500 -0.118 0.000 0.713 544 K HN 0.090 nan 8.250 nan 0.000 0.442 545 I N 0.255 120.733 120.570 -0.153 0.000 2.099 545 I HA -0.321 3.847 4.170 -0.003 0.000 0.239 545 I C 2.159 178.220 176.117 -0.092 0.000 1.066 545 I CA 1.330 62.575 61.300 -0.092 0.000 1.324 545 I CB -0.305 37.528 38.000 -0.279 0.000 1.037 545 I HN 0.104 nan 8.210 nan 0.000 0.401 546 L N 0.371 121.520 121.223 -0.123 0.000 2.017 546 L HA -0.231 4.108 4.340 -0.003 0.000 0.208 546 L C 2.906 179.718 176.870 -0.097 0.000 1.073 546 L CA 1.801 56.585 54.840 -0.094 0.000 0.745 546 L CB -0.937 41.073 42.059 -0.082 0.000 0.894 546 L HN 0.415 nan 8.230 nan 0.000 0.432 547 S N 0.039 115.671 115.700 -0.113 0.000 2.368 547 S HA -0.215 4.253 4.470 -0.003 0.000 0.226 547 S C 1.915 176.426 174.600 -0.149 0.000 1.044 547 S CA 1.802 59.936 58.200 -0.110 0.000 1.062 547 S CB -1.150 61.982 63.200 -0.113 0.000 0.931 547 S HN 0.183 nan 8.310 nan 0.000 0.440 548 V N 2.200 121.955 119.914 -0.266 0.000 2.469 548 V HA -0.115 4.003 4.120 -0.003 0.000 0.251 548 V C 2.559 178.384 176.094 -0.448 0.000 1.064 548 V CA 1.486 63.523 62.300 -0.440 0.000 1.066 548 V CB -0.872 30.472 31.823 -0.799 0.000 0.667 548 V HN 0.494 nan 8.190 nan 0.000 0.461 549 I N 0.148 120.572 120.570 -0.244 0.000 2.394 549 I HA -0.206 3.962 4.170 -0.003 0.000 0.251 549 I C 2.410 178.542 176.117 0.026 0.000 1.136 549 I CA 1.707 62.957 61.300 -0.083 0.000 1.425 549 I CB -0.870 37.120 38.000 -0.016 0.000 1.079 549 I HN 0.387 nan 8.210 nan 0.000 0.425 550 K N 0.974 121.372 120.400 -0.002 0.000 2.062 550 K HA -0.189 4.129 4.320 -0.003 0.000 0.205 550 K C 2.131 178.779 176.600 0.081 0.000 1.051 550 K CA 1.135 57.444 56.287 0.036 0.000 0.941 550 K CB -0.029 32.476 32.500 0.007 0.000 0.719 550 K HN 0.196 nan 8.250 nan 0.000 0.440 551 E N -0.356 119.892 120.200 0.080 0.000 2.058 551 E HA -0.218 4.130 4.350 -0.003 0.000 0.194 551 E C 1.502 178.279 176.600 0.295 0.000 0.997 551 E CA 1.392 57.883 56.400 0.152 0.000 0.801 551 E CB -0.120 29.668 29.700 0.146 0.000 0.746 551 E HN 0.408 nan 8.360 nan 0.000 0.450 552 W N 0.037 121.361 121.300 0.040 0.000 2.392 552 W HA 0.031 4.689 4.660 -0.003 0.000 0.279 552 W C 2.142 178.685 176.519 0.040 0.000 1.225 552 W CA 1.358 58.733 57.345 0.051 0.000 1.233 552 W CB -0.647 28.865 29.460 0.087 0.000 1.122 552 W HN 0.211 nan 8.180 nan 0.000 0.561 553 G N -2.630 106.327 108.800 0.262 0.000 3.192 553 G HA2 0.095 4.053 3.960 -0.003 0.000 0.239 553 G HA3 0.095 4.053 3.960 -0.003 0.000 0.239 553 G C 1.105 176.065 174.900 0.100 0.000 1.084 553 G CA 0.704 45.898 45.100 0.156 0.000 0.784 553 G HN 0.147 nan 8.290 nan 0.000 0.540 554 T N -0.256 114.357 114.554 0.097 0.000 3.019 554 T HA 0.278 4.626 4.350 -0.003 0.000 0.247 554 T C 1.602 176.335 174.700 0.054 0.000 0.992 554 T CA 0.376 62.512 62.100 0.060 0.000 1.036 554 T CB 0.506 69.401 68.868 0.046 0.000 1.063 554 T HN 0.284 nan 8.240 nan 0.000 0.476 555 G N 0.793 109.638 108.800 0.075 0.000 2.716 555 G HA2 0.169 4.127 3.960 -0.003 0.000 0.251 555 G HA3 0.169 4.127 3.960 -0.003 0.000 0.251 555 G C 0.681 175.603 174.900 0.037 0.000 1.224 555 G CA -0.469 44.666 45.100 0.059 0.000 0.891 555 G HN 0.269 nan 8.290 nan 0.000 0.561 556 R N -0.575 119.937 120.500 0.021 0.000 2.261 556 R HA -0.115 4.223 4.340 -0.003 0.000 0.236 556 R C 1.450 177.745 176.300 -0.008 0.000 1.141 556 R CA 1.600 57.703 56.100 0.005 0.000 1.001 556 R CB -0.172 30.127 30.300 -0.002 0.000 0.866 556 R HN 0.633 nan 8.270 nan 0.000 0.468 557 D N 0.330 120.724 120.400 -0.011 0.000 2.144 557 D HA -0.120 4.518 4.640 -0.003 0.000 0.200 557 D C 0.326 176.610 176.300 -0.027 0.000 0.978 557 D CA 1.859 55.831 54.000 -0.046 0.000 0.833 557 D CB -0.237 40.507 40.800 -0.092 0.000 0.961 557 D HN 0.412 nan 8.370 nan 0.000 0.470 558 T N -0.685 113.876 114.554 0.010 0.000 3.287 558 T HA -0.225 4.124 4.350 -0.003 0.000 0.428 558 T C 0.063 174.774 174.700 0.018 0.000 0.770 558 T CA 0.226 62.339 62.100 0.022 0.000 2.165 558 T CB -2.449 66.424 68.868 0.009 0.000 1.677 558 T HN 0.139 nan 8.240 nan 0.000 0.633 559 L N 0.136 121.385 121.223 0.044 0.000 2.330 559 L HA 0.655 4.993 4.340 -0.003 0.000 0.271 559 L C 0.854 177.780 176.870 0.094 0.000 1.013 559 L CA -1.365 53.502 54.840 0.045 0.000 0.816 559 L CB 1.749 43.815 42.059 0.012 0.000 1.287 559 L HN 0.344 nan 8.230 nan 0.000 0.435 560 R N 1.076 121.622 120.500 0.075 0.000 2.229 560 R HA 0.455 4.793 4.340 -0.003 0.000 0.328 560 R C -1.416 174.952 176.300 0.114 0.000 1.009 560 R CA -0.467 55.681 56.100 0.081 0.000 0.864 560 R CB 0.738 31.065 30.300 0.045 0.000 1.085 560 R HN 0.677 nan 8.270 nan 0.000 0.453 561 C N 6.060 125.443 119.300 0.137 0.000 2.319 561 C HA 0.411 4.869 4.460 -0.003 0.000 0.335 561 C C 0.143 175.192 174.990 0.098 0.000 1.274 561 C CA -0.859 58.254 59.018 0.158 0.000 1.806 561 C CB 0.274 28.134 27.740 0.200 0.000 2.329 561 C HN 0.688 nan 8.230 nan 0.000 0.524 562 L N 3.495 124.764 121.223 0.078 0.000 2.335 562 L HA 0.410 4.748 4.340 -0.003 0.000 0.268 562 L C 0.791 177.683 176.870 0.037 0.000 1.037 562 L CA -0.045 54.823 54.840 0.046 0.000 0.895 562 L CB 0.237 42.304 42.059 0.015 0.000 1.266 562 L HN 0.863 nan 8.230 nan 0.000 0.439 563 A N 4.756 127.623 122.820 0.078 0.000 2.546 563 A HA 0.396 4.714 4.320 -0.003 0.000 0.243 563 A C -0.062 177.549 177.584 0.045 0.000 1.063 563 A CA 0.221 52.338 52.037 0.133 0.000 0.757 563 A CB 0.125 19.274 19.000 0.248 0.000 0.991 563 A HN 0.668 nan 8.150 nan 0.000 0.503 564 L N 1.951 123.103 121.223 -0.118 0.000 2.322 564 L HA 0.718 5.056 4.340 -0.003 0.000 0.281 564 L C 0.393 177.129 176.870 -0.222 0.000 1.014 564 L CA -0.284 54.454 54.840 -0.169 0.000 0.815 564 L CB 1.529 43.450 42.059 -0.231 0.000 1.247 564 L HN 0.859 nan 8.230 nan 0.000 0.421 565 A N 1.867 124.654 122.820 -0.055 0.000 2.569 565 A HA 0.924 5.242 4.320 -0.003 0.000 0.290 565 A C -0.587 177.047 177.584 0.083 0.000 1.136 565 A CA -0.470 51.566 52.037 -0.001 0.000 0.710 565 A CB 2.284 21.338 19.000 0.091 0.000 1.303 565 A HN 0.641 nan 8.150 nan 0.000 0.413 566 T N -1.385 113.234 114.554 0.109 0.000 2.909 566 T HA 0.649 4.997 4.350 -0.003 0.000 0.299 566 T C -0.762 173.987 174.700 0.080 0.000 1.073 566 T CA -0.657 61.532 62.100 0.149 0.000 0.999 566 T CB 1.593 70.614 68.868 0.256 0.000 1.098 566 T HN 0.753 nan 8.240 nan 0.000 0.477 567 R N 2.091 122.595 120.500 0.007 0.000 2.233 567 R HA 0.215 4.554 4.340 -0.003 0.000 0.334 567 R C 0.187 176.461 176.300 -0.044 0.000 1.037 567 R CA -0.498 55.609 56.100 0.012 0.000 0.920 567 R CB 0.214 30.516 30.300 0.003 0.000 1.137 567 R HN 0.713 nan 8.270 nan 0.000 0.492 568 D N 1.323 121.724 120.400 0.002 0.000 2.116 568 D HA -0.151 4.488 4.640 -0.003 0.000 0.193 568 D C 0.613 176.881 176.300 -0.053 0.000 0.998 568 D CA 1.861 55.843 54.000 -0.030 0.000 0.836 568 D CB 0.268 41.054 40.800 -0.024 0.000 0.951 568 D HN 0.565 nan 8.370 nan 0.000 0.449 569 T N -0.348 114.193 114.554 -0.021 0.000 3.250 569 T HA 0.379 4.727 4.350 -0.003 0.000 0.391 569 T C -2.533 172.167 174.700 0.000 0.000 1.502 569 T CA -1.728 60.362 62.100 -0.016 0.000 1.320 569 T CB 1.948 70.819 68.868 0.005 0.000 1.102 569 T HN -0.129 nan 8.240 nan 0.000 0.610 570 P HA 0.282 nan 4.420 nan 0.000 0.271 570 P C -2.235 175.107 177.300 0.070 0.000 1.244 570 P CA -1.063 62.037 63.100 0.000 0.000 0.793 570 P CB -0.011 31.617 31.700 -0.119 0.000 0.984 571 P HA 0.142 nan 4.420 nan 0.000 0.275 571 P C -0.288 177.075 177.300 0.105 0.000 1.270 571 P CA -0.142 63.013 63.100 0.091 0.000 0.791 571 P CB 0.604 32.357 31.700 0.088 0.000 1.089 572 K N 0.201 120.639 120.400 0.063 0.000 2.237 572 K HA 0.118 4.436 4.320 -0.003 0.000 0.270 572 K C 1.625 178.225 176.600 -0.001 0.000 1.015 572 K CA -0.201 56.117 56.287 0.051 0.000 0.949 572 K CB 0.712 33.227 32.500 0.025 0.000 0.976 572 K HN 0.342 nan 8.250 nan 0.000 0.472 573 R N 2.482 122.961 120.500 -0.035 0.000 2.097 573 R HA -0.219 4.120 4.340 -0.003 0.000 0.236 573 R C 1.921 178.137 176.300 -0.141 0.000 1.135 573 R CA 2.312 58.316 56.100 -0.160 0.000 0.934 573 R CB -0.121 30.068 30.300 -0.184 0.000 0.846 573 R HN 0.790 nan 8.270 nan 0.000 0.431 574 E N 0.544 120.691 120.200 -0.088 0.000 2.333 574 E HA -0.216 4.132 4.350 -0.003 0.000 0.200 574 E C 0.149 176.707 176.600 -0.069 0.000 1.010 574 E CA 1.248 57.603 56.400 -0.076 0.000 0.841 574 E CB -0.195 29.478 29.700 -0.045 0.000 0.757 574 E HN 0.480 nan 8.360 nan 0.000 0.508 575 E N 0.498 120.661 120.200 -0.061 0.000 2.335 575 E HA 0.263 4.611 4.350 -0.003 0.000 0.191 575 E C 0.047 176.610 176.600 -0.062 0.000 1.077 575 E CA 0.068 56.447 56.400 -0.035 0.000 1.010 575 E CB -0.159 29.541 29.700 0.000 0.000 1.141 575 E HN 0.399 nan 8.360 nan 0.000 0.452 576 M N 0.524 120.038 119.600 -0.144 0.000 2.267 576 M HA 0.244 4.722 4.480 -0.003 0.000 0.289 576 M C -0.677 175.523 176.300 -0.167 0.000 1.043 576 M CA -0.732 54.419 55.300 -0.249 0.000 0.928 576 M CB 2.917 35.181 32.600 -0.560 0.000 1.613 576 M HN -0.308 nan 8.290 nan 0.000 0.450 577 V N 4.979 124.892 119.914 -0.001 0.000 2.267 577 V HA 0.142 4.260 4.120 -0.003 0.000 0.254 577 V C 1.073 177.112 176.094 -0.090 0.000 1.144 577 V CA -0.265 61.998 62.300 -0.061 0.000 0.992 577 V CB -0.445 31.346 31.823 -0.054 0.000 1.199 577 V HN 0.850 nan 8.190 nan 0.000 0.493 578 L N 1.986 123.115 121.223 -0.157 0.000 2.700 578 L HA 0.021 4.360 4.340 -0.003 0.000 0.240 578 L C 1.336 178.258 176.870 0.087 0.000 1.162 578 L CA 0.556 55.348 54.840 -0.081 0.000 0.874 578 L CB -0.523 41.294 42.059 -0.403 0.000 1.001 578 L HN 0.722 nan 8.230 nan 0.000 0.447 579 D N -1.341 119.051 120.400 -0.013 0.000 2.469 579 D HA -0.012 4.626 4.640 -0.003 0.000 0.213 579 D C 0.036 176.209 176.300 -0.212 0.000 1.135 579 D CA -0.146 53.873 54.000 0.032 0.000 0.834 579 D CB 0.195 41.031 40.800 0.061 0.000 1.009 579 D HN 0.337 nan 8.370 nan 0.000 0.507 580 D N 0.813 121.016 120.400 -0.328 0.000 2.469 580 D HA 0.069 4.707 4.640 -0.003 0.000 0.251 580 D C 1.083 177.087 176.300 -0.493 0.000 1.173 580 D CA -0.516 53.256 54.000 -0.380 0.000 0.882 580 D CB 1.749 42.415 40.800 -0.223 0.000 1.129 580 D HN -0.088 nan 8.370 nan 0.000 0.549 581 S N 2.439 117.909 115.700 -0.383 0.000 2.402 581 S HA -0.310 4.158 4.470 -0.003 0.000 0.233 581 S C 1.807 176.331 174.600 -0.126 0.000 1.030 581 S CA 1.496 59.683 58.200 -0.021 0.000 1.003 581 S CB -0.772 62.567 63.200 0.232 0.000 0.813 581 S HN 0.559 nan 8.310 nan 0.000 0.477 582 S N 2.885 118.474 115.700 -0.185 0.000 2.387 582 S HA -0.178 4.291 4.470 -0.003 0.000 0.230 582 S C 1.851 176.267 174.600 -0.305 0.000 1.035 582 S CA 1.177 59.273 58.200 -0.175 0.000 1.014 582 S CB -0.651 62.461 63.200 -0.146 0.000 0.836 582 S HN 0.676 nan 8.310 nan 0.000 0.466 583 R N -0.109 120.059 120.500 -0.553 0.000 2.280 583 R HA 0.163 4.501 4.340 -0.003 0.000 0.207 583 R C 1.575 177.226 176.300 -1.083 0.000 1.043 583 R CA 0.797 56.381 56.100 -0.860 0.000 1.006 583 R CB -0.480 29.176 30.300 -1.073 0.000 0.885 583 R HN 0.398 nan 8.270 nan 0.000 0.467 584 F N 0.943 120.678 119.950 -0.359 0.000 2.069 584 F HA -0.237 4.288 4.527 -0.003 0.000 0.298 584 F C 2.485 178.262 175.800 -0.038 0.000 1.113 584 F CA 1.333 59.292 58.000 -0.067 0.000 1.214 584 F CB -0.561 38.474 39.000 0.057 0.000 0.978 584 F HN -0.033 nan 8.300 nan 0.000 0.474 585 M N 0.016 119.671 119.600 0.091 0.000 2.144 585 M HA -0.257 4.221 4.480 -0.003 0.000 0.260 585 M C 2.355 178.668 176.300 0.022 0.000 1.067 585 M CA 1.869 57.205 55.300 0.060 0.000 1.095 585 M CB -0.375 32.235 32.600 0.015 0.000 1.365 585 M HN 0.316 nan 8.290 nan 0.000 0.406 586 E N -0.532 119.611 120.200 -0.096 0.000 2.106 586 E HA -0.216 4.133 4.350 -0.003 0.000 0.192 586 E C 1.518 178.157 176.600 0.064 0.000 0.984 586 E CA 1.274 57.622 56.400 -0.087 0.000 0.806 586 E CB -0.129 29.429 29.700 -0.237 0.000 0.750 586 E HN 0.560 nan 8.360 nan 0.000 0.458 587 Y N 1.028 121.373 120.300 0.075 0.000 2.373 587 Y HA 0.073 4.621 4.550 -0.003 0.000 0.293 587 Y C 0.736 176.713 175.900 0.128 0.000 1.129 587 Y CA 0.628 58.799 58.100 0.118 0.000 1.226 587 Y CB 0.015 38.587 38.460 0.187 0.000 1.000 587 Y HN 0.025 nan 8.280 nan 0.000 0.549 588 E N 0.925 121.294 120.200 0.283 0.000 2.127 588 E HA 0.246 4.594 4.350 -0.003 0.000 0.262 588 E C 0.056 176.736 176.600 0.133 0.000 1.144 588 E CA -0.204 56.313 56.400 0.195 0.000 1.144 588 E CB 0.145 29.958 29.700 0.188 0.000 1.297 588 E HN 0.240 nan 8.360 nan 0.000 0.469 589 T N -2.075 112.552 114.554 0.121 0.000 2.754 589 T HA 0.286 4.634 4.350 -0.003 0.000 0.296 589 T C -0.209 174.539 174.700 0.081 0.000 1.205 589 T CA -0.820 61.331 62.100 0.084 0.000 1.009 589 T CB 1.435 70.343 68.868 0.066 0.000 1.368 589 T HN 0.114 nan 8.240 nan 0.000 0.509 590 D N -0.085 120.343 120.400 0.046 0.000 2.697 590 D HA -0.123 4.515 4.640 -0.003 0.000 0.238 590 D C -0.471 175.893 176.300 0.107 0.000 1.152 590 D CA 0.663 54.689 54.000 0.044 0.000 0.666 590 D CB -1.546 39.311 40.800 0.096 0.000 1.037 590 D HN 0.649 nan 8.370 nan 0.000 0.423 591 L N -0.393 120.877 121.223 0.078 0.000 2.431 591 L HA 0.621 4.959 4.340 -0.003 0.000 0.260 591 L C 1.134 178.120 176.870 0.194 0.000 1.098 591 L CA -0.276 54.645 54.840 0.135 0.000 0.800 591 L CB 1.523 43.651 42.059 0.115 0.000 1.210 591 L HN 0.275 nan 8.230 nan 0.000 0.465 592 T N -1.480 113.205 114.554 0.219 0.000 2.847 592 T HA 0.360 4.708 4.350 -0.003 0.000 0.291 592 T C -0.640 174.176 174.700 0.194 0.000 0.998 592 T CA -0.507 61.746 62.100 0.256 0.000 0.967 592 T CB 0.585 69.603 68.868 0.251 0.000 0.954 592 T HN 0.266 nan 8.240 nan 0.000 0.441 593 F N 5.142 125.138 119.950 0.077 0.000 2.578 593 F HA 0.369 4.894 4.527 -0.003 0.000 0.381 593 F C 1.091 176.906 175.800 0.024 0.000 1.069 593 F CA -0.051 57.970 58.000 0.035 0.000 1.231 593 F CB 0.831 39.846 39.000 0.026 0.000 1.086 593 F HN 0.540 nan 8.300 nan 0.000 0.564 594 V N 2.909 122.353 119.914 -0.783 0.000 3.477 594 V HA 0.718 4.836 4.120 -0.003 0.000 0.297 594 V C 0.456 176.067 176.094 -0.804 0.000 1.433 594 V CA 0.330 62.293 62.300 -0.562 0.000 1.052 594 V CB -0.325 31.323 31.823 -0.291 0.000 0.895 594 V HN 1.340 nan 8.190 nan 0.000 0.438 595 G N 0.033 107.820 108.800 -1.688 0.000 2.317 595 G HA2 0.433 4.391 3.960 -0.003 0.000 0.445 595 G HA3 0.433 4.391 3.960 -0.003 0.000 0.445 595 G C -1.100 173.295 174.900 -0.842 0.000 1.486 595 G CA -0.025 44.392 45.100 -1.138 0.000 0.991 595 G HN 1.445 nan 8.290 nan 0.000 0.660 596 V N -1.669 117.852 119.914 -0.656 0.000 2.994 596 V HA 0.958 5.076 4.120 -0.003 0.000 0.318 596 V C -0.295 175.689 176.094 -0.183 0.000 1.085 596 V CA -1.033 61.072 62.300 -0.325 0.000 0.998 596 V CB 1.901 33.561 31.823 -0.272 0.000 1.063 596 V HN 1.394 nan 8.190 nan 0.000 0.447 597 V N 2.057 121.979 119.914 0.014 0.000 2.709 597 V HA 0.854 4.972 4.120 -0.003 0.000 0.308 597 V C 0.538 176.763 176.094 0.218 0.000 1.062 597 V CA 0.310 62.681 62.300 0.119 0.000 0.901 597 V CB 1.828 33.654 31.823 0.004 0.000 1.003 597 V HN 1.393 nan 8.190 nan 0.000 0.425 598 G N 4.910 113.870 108.800 0.267 0.000 2.420 598 G HA2 0.845 4.803 3.960 -0.003 0.000 0.331 598 G HA3 0.845 4.803 3.960 -0.003 0.000 0.331 598 G C -0.825 174.090 174.900 0.025 0.000 1.168 598 G CA -0.686 44.524 45.100 0.184 0.000 0.936 598 G HN 0.729 nan 8.290 nan 0.000 0.479 599 M N 0.666 120.278 119.600 0.020 0.000 2.575 599 M HA 0.777 5.255 4.480 -0.003 0.000 0.284 599 M C -2.078 174.216 176.300 -0.010 0.000 1.253 599 M CA -1.145 54.151 55.300 -0.006 0.000 0.861 599 M CB 2.388 34.997 32.600 0.015 0.000 1.733 599 M HN 0.465 nan 8.290 nan 0.000 0.462 600 L N 1.357 122.568 121.223 -0.021 0.000 2.365 600 L HA 0.669 5.007 4.340 -0.003 0.000 0.273 600 L C -1.643 175.218 176.870 -0.015 0.000 1.000 600 L CA 0.203 55.029 54.840 -0.023 0.000 0.819 600 L CB 1.970 44.002 42.059 -0.046 0.000 1.284 600 L HN 0.797 nan 8.230 nan 0.000 0.418 601 D N 6.024 126.418 120.400 -0.010 0.000 2.472 601 D HA 0.394 5.032 4.640 -0.003 0.000 0.234 601 D C -2.529 173.759 176.300 -0.021 0.000 1.088 601 D CA -1.792 52.203 54.000 -0.009 0.000 0.882 601 D CB 1.221 42.023 40.800 0.003 0.000 1.037 601 D HN 0.337 nan 8.370 nan 0.000 0.520 602 P HA 0.202 nan 4.420 nan 0.000 0.271 602 P C -2.567 174.714 177.300 -0.033 0.000 1.233 602 P CA -1.150 61.929 63.100 -0.035 0.000 0.764 602 P CB 0.624 32.299 31.700 -0.041 0.000 0.825 603 P HA 0.094 nan 4.420 nan 0.000 0.270 603 P C 0.319 177.600 177.300 -0.032 0.000 1.227 603 P CA 0.207 63.279 63.100 -0.045 0.000 0.788 603 P CB 0.490 32.155 31.700 -0.059 0.000 0.926 604 R N 1.481 121.966 120.500 -0.025 0.000 2.531 604 R HA 0.184 4.522 4.340 -0.003 0.000 0.273 604 R C 1.548 177.847 176.300 -0.002 0.000 1.070 604 R CA -0.486 55.611 56.100 -0.004 0.000 1.112 604 R CB 0.478 30.790 30.300 0.021 0.000 1.049 604 R HN 0.458 nan 8.270 nan 0.000 0.508 605 K N 1.887 122.290 120.400 0.004 0.000 2.000 605 K HA -0.246 4.072 4.320 -0.003 0.000 0.218 605 K C 1.498 178.109 176.600 0.019 0.000 1.053 605 K CA 2.001 58.291 56.287 0.006 0.000 0.946 605 K CB -0.093 32.411 32.500 0.007 0.000 0.723 605 K HN 0.478 nan 8.250 nan 0.000 0.446 606 E N 1.046 121.268 120.200 0.037 0.000 2.267 606 E HA -0.128 4.220 4.350 -0.003 0.000 0.197 606 E C 1.944 178.598 176.600 0.090 0.000 0.998 606 E CA 0.658 57.094 56.400 0.061 0.000 0.830 606 E CB -0.489 29.254 29.700 0.072 0.000 0.751 606 E HN 0.076 nan 8.360 nan 0.000 0.491 607 V N 0.786 120.739 119.914 0.066 0.000 2.237 607 V HA -0.320 3.798 4.120 -0.003 0.000 0.245 607 V C 2.160 178.242 176.094 -0.019 0.000 1.046 607 V CA 1.878 64.191 62.300 0.022 0.000 1.007 607 V CB -0.458 31.305 31.823 -0.100 0.000 0.638 607 V HN 0.317 nan 8.190 nan 0.000 0.445 608 M N 0.338 119.920 119.600 -0.030 0.000 2.103 608 M HA -0.220 4.258 4.480 -0.003 0.000 0.255 608 M C 2.229 178.530 176.300 0.001 0.000 1.074 608 M CA 2.512 57.795 55.300 -0.029 0.000 1.090 608 M CB -1.910 30.678 32.600 -0.019 0.000 1.325 608 M HN 0.495 nan 8.290 nan 0.000 0.403 609 G N -1.047 107.769 108.800 0.028 0.000 2.396 609 G HA2 -0.098 3.860 3.960 -0.003 0.000 0.214 609 G HA3 -0.098 3.860 3.960 -0.003 0.000 0.214 609 G C 1.670 176.616 174.900 0.077 0.000 1.166 609 G CA 0.847 45.972 45.100 0.042 0.000 0.793 609 G HN 0.491 nan 8.290 nan 0.000 0.533 610 S N 0.922 116.701 115.700 0.132 0.000 2.383 610 S HA -0.112 4.356 4.470 -0.003 0.000 0.229 610 S C 2.260 177.017 174.600 0.262 0.000 1.030 610 S CA 0.897 59.231 58.200 0.223 0.000 1.002 610 S CB -0.171 63.271 63.200 0.404 0.000 0.829 610 S HN 0.247 nan 8.310 nan 0.000 0.467 611 I N 1.540 122.223 120.570 0.189 0.000 2.361 611 I HA -0.157 4.011 4.170 -0.003 0.000 0.251 611 I C 2.570 178.727 176.117 0.065 0.000 1.133 611 I CA 1.370 62.725 61.300 0.091 0.000 1.413 611 I CB -1.309 36.645 38.000 -0.075 0.000 1.073 611 I HN 0.315 nan 8.210 nan 0.000 0.424 612 Q N 1.175 121.005 119.800 0.050 0.000 2.049 612 Q HA -0.072 4.266 4.340 -0.003 0.000 0.198 612 Q C 2.303 178.328 176.000 0.042 0.000 0.971 612 Q CA 1.286 57.110 55.803 0.034 0.000 0.833 612 Q CB -0.323 28.430 28.738 0.024 0.000 0.896 612 Q HN 0.428 nan 8.270 nan 0.000 0.434 613 L N -0.401 120.854 121.223 0.053 0.000 1.997 613 L HA -0.357 3.981 4.340 -0.003 0.000 0.216 613 L C 2.499 179.394 176.870 0.042 0.000 1.074 613 L CA 1.686 56.552 54.840 0.043 0.000 0.763 613 L CB -0.783 41.302 42.059 0.044 0.000 0.890 613 L HN 0.409 nan 8.230 nan 0.000 0.434 614 C N -0.622 118.715 119.300 0.062 0.000 2.401 614 C HA -0.193 4.265 4.460 -0.003 0.000 0.276 614 C C 2.855 177.869 174.990 0.039 0.000 1.233 614 C CA 0.736 59.788 59.018 0.056 0.000 1.753 614 C CB -1.226 26.574 27.740 0.100 0.000 2.029 614 C HN 0.449 nan 8.230 nan 0.000 0.478 615 R N 0.972 121.493 120.500 0.034 0.000 2.070 615 R HA -0.128 4.210 4.340 -0.003 0.000 0.232 615 R C 1.814 178.125 176.300 0.019 0.000 1.138 615 R CA 1.858 57.971 56.100 0.021 0.000 0.936 615 R CB -0.622 29.688 30.300 0.016 0.000 0.839 615 R HN 0.508 nan 8.270 nan 0.000 0.429 616 D N 0.834 121.246 120.400 0.020 0.000 2.133 616 D HA -0.170 4.468 4.640 -0.003 0.000 0.195 616 D C 1.673 177.983 176.300 0.017 0.000 0.997 616 D CA 1.727 55.737 54.000 0.017 0.000 0.840 616 D CB -0.291 40.520 40.800 0.018 0.000 0.947 616 D HN 0.307 nan 8.370 nan 0.000 0.452 617 A N -0.160 122.671 122.820 0.019 0.000 2.209 617 A HA 0.284 4.602 4.320 -0.003 0.000 0.212 617 A C 1.836 179.430 177.584 0.016 0.000 1.158 617 A CA 1.270 53.318 52.037 0.017 0.000 0.742 617 A CB -0.524 18.486 19.000 0.016 0.000 0.790 617 A HN 0.297 nan 8.150 nan 0.000 0.472 618 G N -0.805 108.005 108.800 0.017 0.000 2.225 618 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.267 618 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.267 618 G C 0.039 174.949 174.900 0.017 0.000 1.024 618 G CA 0.549 45.659 45.100 0.015 0.000 0.784 618 G HN 0.539 nan 8.290 nan 0.000 0.507 619 I N 0.317 120.900 120.570 0.021 0.000 2.312 619 I HA 0.328 4.496 4.170 -0.003 0.000 0.290 619 I C 0.944 177.081 176.117 0.033 0.000 1.008 619 I CA -0.882 60.433 61.300 0.025 0.000 1.226 619 I CB 1.205 39.218 38.000 0.022 0.000 1.371 619 I HN 0.170 nan 8.210 nan 0.000 0.468 620 R N 5.081 125.600 120.500 0.033 0.000 2.582 620 R HA 0.569 4.907 4.340 -0.003 0.000 0.271 620 R C -1.244 175.083 176.300 0.047 0.000 1.078 620 R CA -0.268 55.850 56.100 0.030 0.000 1.127 620 R CB 1.152 31.469 30.300 0.029 0.000 1.038 620 R HN 0.439 nan 8.270 nan 0.000 0.500 621 V N 5.709 125.639 119.914 0.027 0.000 2.638 621 V HA 0.415 4.533 4.120 -0.003 0.000 0.306 621 V C -0.456 175.628 176.094 -0.017 0.000 1.052 621 V CA -0.653 61.677 62.300 0.050 0.000 0.885 621 V CB 1.904 33.777 31.823 0.084 0.000 0.999 621 V HN 0.648 nan 8.190 nan 0.000 0.424 622 I N 5.050 125.639 120.570 0.031 0.000 2.436 622 I HA 0.489 4.657 4.170 -0.003 0.000 0.289 622 I C -0.162 175.974 176.117 0.032 0.000 1.010 622 I CA -0.410 60.899 61.300 0.015 0.000 1.098 622 I CB 1.866 39.938 38.000 0.121 0.000 1.266 622 I HN 0.541 nan 8.210 nan 0.000 0.434 623 M N 7.113 126.695 119.600 -0.029 0.000 2.277 623 M HA 0.560 5.038 4.480 -0.003 0.000 0.350 623 M C -1.373 174.972 176.300 0.075 0.000 1.180 623 M CA -0.179 55.117 55.300 -0.007 0.000 1.103 623 M CB 1.209 33.765 32.600 -0.073 0.000 1.577 623 M HN 0.513 nan 8.290 nan 0.000 0.459 624 I N 4.369 124.987 120.570 0.080 0.000 2.466 624 I HA 0.403 4.571 4.170 -0.003 0.000 0.289 624 I C 0.061 176.216 176.117 0.062 0.000 1.026 624 I CA -0.361 61.001 61.300 0.103 0.000 1.078 624 I CB 2.200 40.248 38.000 0.080 0.000 1.249 624 I HN 0.830 nan 8.210 nan 0.000 0.429 625 T N 0.914 115.507 114.554 0.066 0.000 2.550 625 T HA 0.614 4.962 4.350 -0.003 0.000 0.256 625 T C 0.462 175.193 174.700 0.051 0.000 0.866 625 T CA 0.017 62.145 62.100 0.047 0.000 1.163 625 T CB 1.611 70.502 68.868 0.038 0.000 1.460 625 T HN 0.570 nan 8.240 nan 0.000 0.498 626 G N -0.346 108.482 108.800 0.046 0.000 4.000 626 G HA2 0.259 4.217 3.960 -0.003 0.000 0.260 626 G HA3 0.259 4.217 3.960 -0.003 0.000 0.260 626 G C -0.359 174.572 174.900 0.051 0.000 1.047 626 G CA -0.292 44.839 45.100 0.051 0.000 0.860 626 G HN 0.659 nan 8.290 nan 0.000 0.464 627 D N 1.681 122.109 120.400 0.047 0.000 2.345 627 D HA 0.097 4.735 4.640 -0.003 0.000 0.247 627 D C 0.322 176.655 176.300 0.055 0.000 1.108 627 D CA -0.135 53.893 54.000 0.047 0.000 0.894 627 D CB 1.170 41.994 40.800 0.040 0.000 1.203 627 D HN 0.472 nan 8.370 nan 0.000 0.430 628 N N 0.736 119.470 118.700 0.057 0.000 2.353 628 N HA -0.105 4.633 4.740 -0.003 0.000 0.248 628 N C 0.965 176.506 175.510 0.051 0.000 1.240 628 N CA -0.260 52.825 53.050 0.058 0.000 0.862 628 N CB 1.265 39.787 38.487 0.058 0.000 1.086 628 N HN 0.350 nan 8.380 nan 0.000 0.453 629 K N 2.090 122.520 120.400 0.049 0.000 2.049 629 K HA -0.287 4.031 4.320 -0.003 0.000 0.219 629 K C 2.019 178.635 176.600 0.026 0.000 1.056 629 K CA 2.222 58.531 56.287 0.037 0.000 0.946 629 K CB -0.985 31.533 32.500 0.029 0.000 0.723 629 K HN 0.801 nan 8.250 nan 0.000 0.453 630 G N -0.386 108.428 108.800 0.024 0.000 2.556 630 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.220 630 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.220 630 G C 1.473 176.391 174.900 0.029 0.000 1.156 630 G CA 1.807 46.918 45.100 0.019 0.000 0.766 630 G HN 0.440 nan 8.290 nan 0.000 0.583 631 T N 1.249 115.828 114.554 0.041 0.000 2.851 631 T HA 0.199 4.548 4.350 -0.003 0.000 0.262 631 T C 2.832 177.557 174.700 0.042 0.000 1.043 631 T CA 1.333 63.460 62.100 0.045 0.000 1.140 631 T CB -0.422 68.477 68.868 0.051 0.000 0.872 631 T HN 0.431 nan 8.240 nan 0.000 0.446 632 A N 1.802 124.648 122.820 0.043 0.000 1.881 632 A HA -0.178 4.140 4.320 -0.003 0.000 0.219 632 A C 2.227 179.847 177.584 0.060 0.000 1.215 632 A CA 1.813 53.876 52.037 0.044 0.000 0.648 632 A CB -1.104 17.925 19.000 0.048 0.000 0.832 632 A HN 0.512 nan 8.150 nan 0.000 0.455 633 I N -0.488 120.126 120.570 0.073 0.000 2.091 633 I HA -0.379 3.790 4.170 -0.003 0.000 0.239 633 I C 3.049 179.232 176.117 0.110 0.000 1.061 633 I CA 1.423 62.796 61.300 0.120 0.000 1.317 633 I CB -0.592 37.423 38.000 0.026 0.000 1.031 633 I HN 0.427 nan 8.210 nan 0.000 0.401 634 A N 1.163 124.017 122.820 0.057 0.000 1.903 634 A HA -0.254 4.064 4.320 -0.003 0.000 0.219 634 A C 2.235 179.844 177.584 0.041 0.000 1.191 634 A CA 2.216 54.280 52.037 0.045 0.000 0.638 634 A CB -1.121 17.901 19.000 0.037 0.000 0.823 634 A HN 0.511 nan 8.150 nan 0.000 0.451 635 I N -1.102 119.487 120.570 0.031 0.000 2.394 635 I HA -0.265 3.903 4.170 -0.003 0.000 0.251 635 I C 2.433 178.544 176.117 -0.010 0.000 1.136 635 I CA 0.858 62.161 61.300 0.005 0.000 1.425 635 I CB -0.655 37.343 38.000 -0.004 0.000 1.079 635 I HN 0.371 nan 8.210 nan 0.000 0.425 636 C N 0.887 120.197 119.300 0.017 0.000 2.435 636 C HA -0.080 4.378 4.460 -0.003 0.000 0.279 636 C C 3.002 177.999 174.990 0.012 0.000 1.321 636 C CA 0.798 59.799 59.018 -0.028 0.000 1.752 636 C CB -1.093 26.653 27.740 0.010 0.000 1.959 636 C HN 0.418 nan 8.230 nan 0.000 0.500 637 R N 0.064 120.621 120.500 0.095 0.000 2.073 637 R HA -0.045 4.293 4.340 -0.003 0.000 0.229 637 R C 2.459 178.775 176.300 0.026 0.000 1.120 637 R CA 0.639 56.793 56.100 0.090 0.000 0.967 637 R CB -0.416 29.934 30.300 0.083 0.000 0.862 637 R HN 0.461 nan 8.270 nan 0.000 0.436 638 R N 1.817 122.321 120.500 0.006 0.000 2.241 638 R HA -0.094 4.244 4.340 -0.003 0.000 0.224 638 R C 1.913 178.193 176.300 -0.033 0.000 1.101 638 R CA 1.187 57.279 56.100 -0.013 0.000 0.995 638 R CB 0.002 30.292 30.300 -0.016 0.000 0.870 638 R HN 0.378 nan 8.270 nan 0.000 0.463 639 I N -5.785 114.753 120.570 -0.053 0.000 4.035 639 I HA 0.389 4.558 4.170 -0.003 0.000 0.321 639 I C 1.025 177.091 176.117 -0.085 0.000 1.289 639 I CA 0.650 61.898 61.300 -0.086 0.000 1.236 639 I CB 1.022 38.937 38.000 -0.142 0.000 1.076 639 I HN 0.112 nan 8.210 nan 0.000 0.418 640 G N 1.650 110.410 108.800 -0.065 0.000 2.211 640 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.201 640 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.201 640 G C 0.732 175.578 174.900 -0.090 0.000 0.997 640 G CA 0.230 45.298 45.100 -0.053 0.000 0.652 640 G HN 0.212 nan 8.290 nan 0.000 0.500 641 I N 0.163 120.627 120.570 -0.177 0.000 2.163 641 I HA 0.076 4.244 4.170 -0.003 0.000 0.243 641 I C 1.376 177.290 176.117 -0.339 0.000 1.085 641 I CA 1.392 62.491 61.300 -0.335 0.000 1.347 641 I CB -0.953 36.721 38.000 -0.543 0.000 1.044 641 I HN 0.126 nan 8.210 nan 0.000 0.408 642 F N -0.050 119.869 119.950 -0.053 0.000 2.541 642 F HA 0.619 5.144 4.527 -0.003 0.000 0.331 642 F C 1.038 176.814 175.800 -0.041 0.000 1.057 642 F CA -1.392 56.578 58.000 -0.050 0.000 0.975 642 F CB 0.704 39.669 39.000 -0.059 0.000 1.246 642 F HN -0.171 nan 8.300 nan 0.000 0.484 643 G N 0.172 109.090 108.800 0.198 0.000 2.448 643 G HA2 0.251 4.209 3.960 -0.003 0.000 0.285 643 G HA3 0.251 4.209 3.960 -0.003 0.000 0.285 643 G C 0.488 175.422 174.900 0.056 0.000 1.176 643 G CA -0.381 44.770 45.100 0.085 0.000 0.852 643 G HN 0.736 nan 8.290 nan 0.000 0.530 644 E N 0.705 120.924 120.200 0.031 0.000 2.130 644 E HA -0.156 4.192 4.350 -0.003 0.000 0.196 644 E C 0.739 177.335 176.600 -0.007 0.000 0.998 644 E CA 1.100 57.508 56.400 0.014 0.000 0.806 644 E CB 0.160 29.864 29.700 0.006 0.000 0.738 644 E HN 0.466 nan 8.360 nan 0.000 0.459 645 N N 0.581 119.273 118.700 -0.014 0.000 2.238 645 N HA 0.040 4.778 4.740 -0.003 0.000 0.235 645 N C -0.299 175.181 175.510 -0.050 0.000 1.209 645 N CA 0.010 53.040 53.050 -0.032 0.000 0.879 645 N CB 0.857 39.330 38.487 -0.024 0.000 1.136 645 N HN 0.188 nan 8.380 nan 0.000 0.517 646 E N 1.173 121.341 120.200 -0.054 0.000 2.392 646 E HA 0.021 4.369 4.350 -0.003 0.000 0.259 646 E C -0.407 176.096 176.600 -0.162 0.000 1.108 646 E CA -0.141 56.213 56.400 -0.077 0.000 0.916 646 E CB 0.871 30.554 29.700 -0.030 0.000 0.989 646 E HN -0.066 nan 8.360 nan 0.000 0.432 647 E N 1.920 122.025 120.200 -0.158 0.000 2.259 647 E HA 0.143 4.491 4.350 -0.003 0.000 0.281 647 E C -0.237 176.174 176.600 -0.316 0.000 1.027 647 E CA -0.128 56.155 56.400 -0.195 0.000 0.838 647 E CB 1.739 31.363 29.700 -0.126 0.000 1.066 647 E HN 0.328 nan 8.360 nan 0.000 0.401 648 V N 2.472 122.148 119.914 -0.397 0.000 3.398 648 V HA 0.065 4.183 4.120 -0.003 0.000 0.298 648 V C 1.624 177.480 176.094 -0.397 0.000 1.496 648 V CA 0.551 62.508 62.300 -0.572 0.000 1.044 648 V CB 0.427 31.662 31.823 -0.979 0.000 0.880 648 V HN 0.687 nan 8.190 nan 0.000 0.443 649 A N 2.021 124.677 122.820 -0.273 0.000 1.896 649 A HA -0.311 4.007 4.320 -0.003 0.000 0.220 649 A C 1.895 179.307 177.584 -0.287 0.000 1.206 649 A CA 2.582 54.484 52.037 -0.226 0.000 0.647 649 A CB -0.504 18.416 19.000 -0.134 0.000 0.828 649 A HN 0.723 nan 8.150 nan 0.000 0.455 650 D N -1.505 118.768 120.400 -0.211 0.000 2.340 650 D HA -0.014 4.625 4.640 -0.003 0.000 0.220 650 D C 1.447 177.620 176.300 -0.211 0.000 1.039 650 D CA 0.341 54.256 54.000 -0.142 0.000 0.866 650 D CB -0.254 40.545 40.800 -0.003 0.000 0.913 650 D HN 0.579 nan 8.370 nan 0.000 0.523 651 R N -0.067 120.259 120.500 -0.291 0.000 2.365 651 R HA 0.436 4.774 4.340 -0.003 0.000 0.223 651 R C 0.292 176.495 176.300 -0.161 0.000 0.899 651 R CA 0.114 56.143 56.100 -0.118 0.000 1.059 651 R CB 1.186 31.535 30.300 0.081 0.000 1.086 651 R HN 0.081 nan 8.270 nan 0.000 0.522 652 A N 0.637 123.164 122.820 -0.488 0.000 2.408 652 A HA 0.636 4.955 4.320 -0.003 0.000 0.295 652 A C -1.576 175.619 177.584 -0.650 0.000 1.040 652 A CA -0.594 51.195 52.037 -0.414 0.000 0.707 652 A CB 0.813 19.744 19.000 -0.115 0.000 1.235 652 A HN 0.083 nan 8.150 nan 0.000 0.418 653 Y N -0.092 120.097 120.300 -0.186 0.000 2.598 653 Y HA 0.755 5.303 4.550 -0.003 0.000 0.340 653 Y C 0.892 176.831 175.900 0.065 0.000 1.038 653 Y CA -0.563 57.528 58.100 -0.015 0.000 1.100 653 Y CB 2.212 40.738 38.460 0.109 0.000 1.281 653 Y HN 0.571 nan 8.280 nan 0.000 0.488 654 T N -0.075 114.655 114.554 0.293 0.000 2.895 654 T HA 0.363 4.711 4.350 -0.003 0.000 0.283 654 T C 1.242 176.051 174.700 0.181 0.000 1.014 654 T CA 0.080 62.296 62.100 0.194 0.000 1.037 654 T CB 1.042 69.996 68.868 0.143 0.000 1.006 654 T HN 0.901 nan 8.240 nan 0.000 0.468 655 G N 2.936 111.775 108.800 0.065 0.000 2.547 655 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.221 655 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.221 655 G C 1.586 176.542 174.900 0.093 0.000 1.140 655 G CA 1.347 46.378 45.100 -0.116 0.000 0.760 655 G HN 0.603 nan 8.290 nan 0.000 0.583 656 R N 0.887 121.482 120.500 0.159 0.000 2.055 656 R HA 0.043 4.381 4.340 -0.003 0.000 0.228 656 R C 2.488 178.899 176.300 0.184 0.000 1.143 656 R CA 1.868 58.075 56.100 0.179 0.000 0.945 656 R CB -1.056 29.324 30.300 0.134 0.000 0.841 656 R HN 0.508 nan 8.270 nan 0.000 0.429 657 E N -0.498 119.813 120.200 0.184 0.000 2.108 657 E HA -0.271 4.077 4.350 -0.003 0.000 0.203 657 E C 1.817 178.521 176.600 0.174 0.000 1.022 657 E CA 1.773 58.284 56.400 0.185 0.000 0.823 657 E CB -0.452 29.401 29.700 0.255 0.000 0.744 657 E HN 0.296 nan 8.360 nan 0.000 0.456 658 F N 2.196 122.176 119.950 0.050 0.000 2.154 658 F HA -0.238 4.287 4.527 -0.003 0.000 0.301 658 F C 1.773 177.600 175.800 0.045 0.000 1.087 658 F CA 1.755 59.751 58.000 -0.006 0.000 1.274 658 F CB -0.025 38.969 39.000 -0.011 0.000 1.009 658 F HN -0.033 nan 8.300 nan 0.000 0.485 659 D N -0.213 120.309 120.400 0.202 0.000 2.123 659 D HA -0.165 4.473 4.640 -0.003 0.000 0.200 659 D C 1.541 177.841 176.300 0.001 0.000 0.976 659 D CA 1.381 55.452 54.000 0.117 0.000 0.831 659 D CB -0.592 40.322 40.800 0.189 0.000 0.974 659 D HN 0.373 nan 8.370 nan 0.000 0.469 660 D N 0.650 121.062 120.400 0.021 0.000 2.403 660 D HA -0.035 4.604 4.640 -0.003 0.000 0.227 660 D C 0.825 177.092 176.300 -0.054 0.000 0.995 660 D CA 0.411 54.410 54.000 -0.002 0.000 0.928 660 D CB 0.342 41.158 40.800 0.026 0.000 0.887 660 D HN 0.267 nan 8.370 nan 0.000 0.529 661 L N 1.351 122.494 121.223 -0.133 0.000 2.352 661 L HA 0.346 4.684 4.340 -0.003 0.000 0.269 661 L C -2.110 174.644 176.870 -0.194 0.000 1.034 661 L CA -1.979 52.747 54.840 -0.190 0.000 0.806 661 L CB 1.557 43.424 42.059 -0.321 0.000 1.244 661 L HN -0.251 nan 8.230 nan 0.000 0.447 662 P HA 0.160 nan 4.420 nan 0.000 0.282 662 P C 0.755 177.969 177.300 -0.143 0.000 1.249 662 P CA -0.500 62.530 63.100 -0.117 0.000 0.806 662 P CB 1.182 32.835 31.700 -0.079 0.000 0.984 663 L N 1.484 122.661 121.223 -0.077 0.000 2.283 663 L HA -0.306 4.032 4.340 -0.003 0.000 0.217 663 L C 2.356 179.189 176.870 -0.061 0.000 1.104 663 L CA 2.004 56.834 54.840 -0.017 0.000 0.772 663 L CB -1.127 40.963 42.059 0.051 0.000 0.899 663 L HN 0.440 nan 8.230 nan 0.000 0.439 664 A N 0.203 122.976 122.820 -0.078 0.000 1.823 664 A HA -0.192 4.126 4.320 -0.003 0.000 0.214 664 A C 2.231 179.737 177.584 -0.131 0.000 1.225 664 A CA 1.351 53.345 52.037 -0.072 0.000 0.604 664 A CB -0.635 18.339 19.000 -0.043 0.000 0.878 664 A HN 0.312 nan 8.150 nan 0.000 0.450 665 E N -0.029 120.088 120.200 -0.138 0.000 2.130 665 E HA -0.268 4.080 4.350 -0.003 0.000 0.196 665 E C 2.054 178.487 176.600 -0.279 0.000 0.998 665 E CA 2.013 58.318 56.400 -0.158 0.000 0.806 665 E CB -0.516 29.100 29.700 -0.141 0.000 0.738 665 E HN 0.631 nan 8.360 nan 0.000 0.459 666 Q N 0.025 119.568 119.800 -0.427 0.000 2.062 666 Q HA -0.277 4.061 4.340 -0.003 0.000 0.209 666 Q C 2.344 177.915 176.000 -0.716 0.000 0.996 666 Q CA 2.610 57.979 55.803 -0.723 0.000 0.859 666 Q CB -0.213 28.047 28.738 -0.795 0.000 0.920 666 Q HN 0.264 nan 8.270 nan 0.000 0.415 667 R N -0.202 119.835 120.500 -0.771 0.000 2.080 667 R HA -0.191 4.147 4.340 -0.003 0.000 0.236 667 R C 2.056 178.337 176.300 -0.032 0.000 1.137 667 R CA 1.675 57.437 56.100 -0.563 0.000 0.943 667 R CB -0.074 30.096 30.300 -0.218 0.000 0.846 667 R HN 0.249 nan 8.270 nan 0.000 0.431 668 E N 0.569 120.779 120.200 0.017 0.000 2.021 668 E HA -0.235 4.113 4.350 -0.003 0.000 0.200 668 E C 1.981 178.653 176.600 0.121 0.000 1.015 668 E CA 1.511 57.982 56.400 0.119 0.000 0.824 668 E CB -0.737 28.997 29.700 0.057 0.000 0.762 668 E HN 0.475 nan 8.360 nan 0.000 0.454 669 A N 1.082 123.937 122.820 0.057 0.000 1.969 669 A HA -0.332 3.986 4.320 -0.003 0.000 0.223 669 A C 2.713 180.461 177.584 0.274 0.000 1.218 669 A CA 2.243 54.368 52.037 0.147 0.000 0.667 669 A CB -1.286 17.595 19.000 -0.198 0.000 0.826 669 A HN 0.425 nan 8.150 nan 0.000 0.472 670 C N -0.614 118.857 119.300 0.285 0.000 2.453 670 C HA -0.085 4.373 4.460 -0.003 0.000 0.277 670 C C 2.799 177.960 174.990 0.285 0.000 1.262 670 C CA 1.128 60.368 59.018 0.371 0.000 1.718 670 C CB -1.327 26.661 27.740 0.415 0.000 2.031 670 C HN 0.827 nan 8.230 nan 0.000 0.480 671 R N 1.991 122.643 120.500 0.253 0.000 2.241 671 R HA -0.123 4.215 4.340 -0.003 0.000 0.224 671 R C 1.898 178.213 176.300 0.024 0.000 1.101 671 R CA 1.737 57.879 56.100 0.070 0.000 0.995 671 R CB -0.471 29.615 30.300 -0.356 0.000 0.870 671 R HN 0.739 nan 8.270 nan 0.000 0.463 672 R N 0.310 120.856 120.500 0.077 0.000 2.225 672 R HA 0.354 4.692 4.340 -0.003 0.000 0.194 672 R C 0.620 176.971 176.300 0.085 0.000 0.949 672 R CA 0.274 56.413 56.100 0.064 0.000 1.088 672 R CB 0.029 30.368 30.300 0.065 0.000 1.106 672 R HN 0.087 nan 8.270 nan 0.000 0.566 673 A N 0.572 123.462 122.820 0.117 0.000 2.466 673 A HA 0.245 4.563 4.320 -0.003 0.000 0.238 673 A C 0.419 177.978 177.584 -0.041 0.000 1.074 673 A CA 0.026 52.081 52.037 0.029 0.000 0.774 673 A CB 0.352 19.341 19.000 -0.018 0.000 1.015 673 A HN 0.592 nan 8.150 nan 0.000 0.498 674 C N -0.362 118.876 119.300 -0.103 0.000 3.785 674 C HA 0.384 4.842 4.460 -0.003 0.000 0.312 674 C C 0.296 175.126 174.990 -0.267 0.000 1.566 674 C CA -0.117 58.776 59.018 -0.208 0.000 1.837 674 C CB -1.071 26.425 27.740 -0.406 0.000 2.826 674 C HN 0.901 nan 8.230 nan 0.000 0.667 675 C N 1.506 120.654 119.300 -0.253 0.000 2.599 675 C HA 0.719 5.177 4.460 -0.003 0.000 0.354 675 C C -1.644 173.179 174.990 -0.278 0.000 1.092 675 C CA -0.478 58.437 59.018 -0.171 0.000 1.280 675 C CB -0.655 27.089 27.740 0.007 0.000 1.829 675 C HN 0.393 nan 8.230 nan 0.000 0.454 676 F N 5.025 124.978 119.950 0.005 0.000 2.402 676 F HA 0.599 5.124 4.527 -0.003 0.000 0.355 676 F C 1.017 176.807 175.800 -0.017 0.000 1.123 676 F CA 0.205 58.193 58.000 -0.019 0.000 1.021 676 F CB 1.589 40.531 39.000 -0.096 0.000 1.160 676 F HN 0.862 nan 8.300 nan 0.000 0.451 677 A N 4.994 127.915 122.820 0.168 0.000 2.037 677 A HA 0.043 4.361 4.320 -0.003 0.000 0.200 677 A C 0.835 178.476 177.584 0.095 0.000 1.230 677 A CA 0.808 52.910 52.037 0.108 0.000 0.695 677 A CB -0.171 18.885 19.000 0.092 0.000 0.883 677 A HN 0.689 nan 8.150 nan 0.000 0.502 678 R N -0.676 119.876 120.500 0.087 0.000 2.332 678 R HA 0.476 4.814 4.340 -0.003 0.000 0.306 678 R C -1.558 174.783 176.300 0.068 0.000 1.117 678 R CA -0.311 55.836 56.100 0.078 0.000 1.108 678 R CB 1.375 31.726 30.300 0.086 0.000 1.126 678 R HN 0.239 nan 8.270 nan 0.000 0.548 679 V N 3.181 123.124 119.914 0.048 0.000 2.432 679 V HA 0.108 4.226 4.120 -0.003 0.000 0.275 679 V C 0.422 176.629 176.094 0.187 0.000 1.043 679 V CA -0.235 62.085 62.300 0.034 0.000 0.925 679 V CB 1.455 33.229 31.823 -0.082 0.000 0.985 679 V HN 0.646 nan 8.190 nan 0.000 0.466 680 E N 6.036 126.518 120.200 0.470 0.000 2.312 680 E HA 0.282 4.630 4.350 -0.003 0.000 0.259 680 E C -1.627 175.000 176.600 0.045 0.000 1.122 680 E CA -1.426 55.103 56.400 0.214 0.000 0.922 680 E CB 0.642 30.432 29.700 0.150 0.000 1.109 680 E HN 0.420 nan 8.360 nan 0.000 0.442 681 P HA -0.408 nan 4.420 nan 0.000 0.225 681 P C 1.319 178.551 177.300 -0.113 0.000 0.810 681 P CA 2.658 65.705 63.100 -0.089 0.000 1.060 681 P CB -0.216 31.421 31.700 -0.106 0.000 0.728 682 S N -2.843 112.750 115.700 -0.179 0.000 2.419 682 S HA -0.261 4.207 4.470 -0.003 0.000 0.233 682 S C 1.815 176.338 174.600 -0.127 0.000 1.016 682 S CA 1.271 59.377 58.200 -0.156 0.000 0.974 682 S CB -1.525 61.578 63.200 -0.162 0.000 0.786 682 S HN 0.179 nan 8.310 nan 0.000 0.492 683 H N 2.271 121.302 119.070 -0.066 0.000 2.297 683 H HA -0.123 4.431 4.556 -0.003 0.000 0.289 683 H C 2.133 177.325 175.328 -0.228 0.000 1.105 683 H CA 2.038 57.985 56.048 -0.168 0.000 1.219 683 H CB -0.583 29.023 29.762 -0.260 0.000 1.351 683 H HN 0.528 nan 8.280 nan 0.000 0.481 684 K N -0.010 120.355 120.400 -0.058 0.000 1.988 684 K HA -0.174 4.144 4.320 -0.003 0.000 0.221 684 K C 2.561 179.120 176.600 -0.069 0.000 1.053 684 K CA 1.610 57.843 56.287 -0.090 0.000 0.959 684 K CB -0.371 32.095 32.500 -0.057 0.000 0.728 684 K HN 0.064 nan 8.250 nan 0.000 0.447 685 S N 0.766 116.432 115.700 -0.056 0.000 2.372 685 S HA -0.215 4.253 4.470 -0.003 0.000 0.227 685 S C 1.767 176.329 174.600 -0.063 0.000 1.044 685 S CA 1.759 59.925 58.200 -0.056 0.000 1.050 685 S CB -0.107 63.057 63.200 -0.060 0.000 0.901 685 S HN 0.235 nan 8.310 nan 0.000 0.447 686 K N 0.370 120.745 120.400 -0.042 0.000 2.032 686 K HA -0.046 4.272 4.320 -0.003 0.000 0.209 686 K C 2.046 178.644 176.600 -0.003 0.000 1.048 686 K CA 1.681 57.944 56.287 -0.040 0.000 0.927 686 K CB -0.393 32.208 32.500 0.168 0.000 0.712 686 K HN 0.435 nan 8.250 nan 0.000 0.441 687 I N 0.995 121.603 120.570 0.064 0.000 2.335 687 I HA -0.262 3.907 4.170 -0.003 0.000 0.251 687 I C 2.104 178.284 176.117 0.106 0.000 1.129 687 I CA 1.032 62.406 61.300 0.123 0.000 1.402 687 I CB -0.282 37.648 38.000 -0.117 0.000 1.069 687 I HN -0.049 nan 8.210 nan 0.000 0.424 688 V N 0.427 120.352 119.914 0.018 0.000 2.809 688 V HA -0.196 3.922 4.120 -0.003 0.000 0.256 688 V C 2.288 178.374 176.094 -0.013 0.000 1.080 688 V CA 1.517 63.825 62.300 0.014 0.000 1.102 688 V CB -0.567 31.249 31.823 -0.011 0.000 0.705 688 V HN 0.429 nan 8.190 nan 0.000 0.475 689 E N -0.732 119.411 120.200 -0.095 0.000 2.076 689 E HA -0.150 4.198 4.350 -0.003 0.000 0.190 689 E C 2.131 178.641 176.600 -0.150 0.000 0.979 689 E CA 1.152 57.439 56.400 -0.188 0.000 0.807 689 E CB -0.101 29.383 29.700 -0.361 0.000 0.761 689 E HN 0.685 nan 8.360 nan 0.000 0.454 690 Y N 0.526 120.849 120.300 0.038 0.000 2.373 690 Y HA -0.056 4.493 4.550 -0.003 0.000 0.293 690 Y C 2.025 177.963 175.900 0.064 0.000 1.129 690 Y CA 0.651 58.766 58.100 0.026 0.000 1.226 690 Y CB -0.144 38.395 38.460 0.131 0.000 1.000 690 Y HN -0.003 nan 8.280 nan 0.000 0.549 691 L N -0.503 120.876 121.223 0.260 0.000 2.554 691 L HA -0.062 4.276 4.340 -0.003 0.000 0.226 691 L C 1.693 178.662 176.870 0.164 0.000 1.137 691 L CA 0.713 55.703 54.840 0.249 0.000 0.863 691 L CB -0.218 41.961 42.059 0.200 0.000 0.985 691 L HN 0.276 nan 8.230 nan 0.000 0.451 692 Q N -0.809 119.043 119.800 0.087 0.000 2.396 692 Q HA -0.026 4.313 4.340 -0.003 0.000 0.220 692 Q C 2.355 178.365 176.000 0.018 0.000 0.900 692 Q CA 0.933 56.763 55.803 0.045 0.000 0.925 692 Q CB 0.437 29.177 28.738 0.004 0.000 1.065 692 Q HN 0.521 nan 8.270 nan 0.000 0.535 693 S N -0.268 115.408 115.700 -0.039 0.000 2.423 693 S HA -0.115 4.353 4.470 -0.003 0.000 0.231 693 S C 1.107 175.624 174.600 -0.138 0.000 1.014 693 S CA 0.736 58.855 58.200 -0.135 0.000 0.965 693 S CB -0.262 62.792 63.200 -0.243 0.000 0.785 693 S HN 0.320 nan 8.310 nan 0.000 0.495 694 Y N 2.377 122.725 120.300 0.080 0.000 2.537 694 Y HA 0.271 4.819 4.550 -0.003 0.000 0.303 694 Y C 0.232 176.161 175.900 0.050 0.000 1.176 694 Y CA -1.281 56.859 58.100 0.066 0.000 1.273 694 Y CB -0.804 37.702 38.460 0.076 0.000 1.110 694 Y HN 0.177 nan 8.280 nan 0.000 0.518 695 D N 0.430 120.919 120.400 0.148 0.000 2.811 695 D HA -0.245 4.393 4.640 -0.003 0.000 0.231 695 D C -0.232 176.123 176.300 0.092 0.000 1.157 695 D CA 0.811 54.867 54.000 0.094 0.000 0.716 695 D CB -0.858 39.989 40.800 0.078 0.000 1.077 695 D HN 0.513 nan 8.370 nan 0.000 0.428 696 E N -0.070 120.199 120.200 0.115 0.000 2.249 696 E HA 0.257 4.605 4.350 -0.003 0.000 0.280 696 E C 0.698 177.335 176.600 0.061 0.000 1.016 696 E CA -0.799 55.656 56.400 0.092 0.000 0.830 696 E CB 1.149 30.921 29.700 0.120 0.000 1.081 696 E HN 0.039 nan 8.360 nan 0.000 0.395 697 I N 3.488 124.081 120.570 0.038 0.000 2.406 697 I HA 0.016 4.184 4.170 -0.003 0.000 0.293 697 I C 0.737 176.869 176.117 0.025 0.000 1.101 697 I CA 0.457 61.769 61.300 0.019 0.000 1.334 697 I CB -0.171 37.828 38.000 -0.002 0.000 1.421 697 I HN 0.407 nan 8.210 nan 0.000 0.513 698 T N 4.831 119.402 114.554 0.028 0.000 2.912 698 T HA 0.829 5.177 4.350 -0.003 0.000 0.288 698 T C -0.484 174.228 174.700 0.020 0.000 1.030 698 T CA -0.603 61.517 62.100 0.034 0.000 1.020 698 T CB 1.891 70.793 68.868 0.056 0.000 1.056 698 T HN 0.645 nan 8.240 nan 0.000 0.480 699 A N 4.922 127.756 122.820 0.022 0.000 2.330 699 A HA 0.821 5.139 4.320 -0.003 0.000 0.327 699 A C -0.402 177.197 177.584 0.024 0.000 1.155 699 A CA -0.889 51.155 52.037 0.012 0.000 0.803 699 A CB 1.042 20.040 19.000 -0.003 0.000 1.208 699 A HN 0.798 nan 8.150 nan 0.000 0.477 700 M N 1.413 121.023 119.600 0.016 0.000 2.662 700 M HA 0.589 5.067 4.480 -0.003 0.000 0.310 700 M C 0.055 176.366 176.300 0.018 0.000 1.204 700 M CA -0.179 55.133 55.300 0.019 0.000 0.891 700 M CB 2.119 34.724 32.600 0.008 0.000 1.732 700 M HN 0.967 nan 8.290 nan 0.000 0.467 701 T N -1.278 113.290 114.554 0.024 0.000 2.887 701 T HA 0.996 5.344 4.350 -0.003 0.000 0.292 701 T C -0.166 174.545 174.700 0.019 0.000 1.087 701 T CA -0.410 61.705 62.100 0.025 0.000 1.009 701 T CB 2.473 71.367 68.868 0.043 0.000 1.203 701 T HN 1.065 nan 8.240 nan 0.000 0.518 702 G N 0.055 108.865 108.800 0.017 0.000 2.353 702 G HA2 0.389 4.347 3.960 -0.003 0.000 0.308 702 G HA3 0.389 4.347 3.960 -0.003 0.000 0.308 702 G C -0.833 174.074 174.900 0.010 0.000 1.418 702 G CA 0.130 45.237 45.100 0.011 0.000 0.966 702 G HN 1.010 nan 8.290 nan 0.000 0.638 703 D N -1.272 119.132 120.400 0.006 0.000 2.410 703 D HA 0.211 4.849 4.640 -0.003 0.000 0.275 703 D C 1.008 177.311 176.300 0.005 0.000 1.152 703 D CA 0.811 54.817 54.000 0.010 0.000 0.825 703 D CB 0.347 41.157 40.800 0.016 0.000 1.312 703 D HN 1.000 nan 8.370 nan 0.000 0.532 704 G N 0.985 109.778 108.800 -0.011 0.000 2.504 704 G HA2 0.330 4.288 3.960 -0.003 0.000 0.288 704 G HA3 0.330 4.288 3.960 -0.003 0.000 0.288 704 G C 0.921 175.797 174.900 -0.040 0.000 1.182 704 G CA -0.219 44.863 45.100 -0.031 0.000 0.894 704 G HN 0.002 nan 8.290 nan 0.000 0.521 705 V N 0.891 120.765 119.914 -0.068 0.000 2.688 705 V HA -0.198 3.920 4.120 -0.003 0.000 0.256 705 V C 2.389 178.440 176.094 -0.072 0.000 1.084 705 V CA 2.168 64.429 62.300 -0.065 0.000 1.103 705 V CB -0.621 31.126 31.823 -0.126 0.000 0.688 705 V HN 0.673 nan 8.190 nan 0.000 0.480 706 N N 0.932 119.579 118.700 -0.089 0.000 2.137 706 N HA -0.152 4.586 4.740 -0.003 0.000 0.190 706 N C 1.205 176.678 175.510 -0.062 0.000 1.017 706 N CA 1.969 54.966 53.050 -0.089 0.000 0.859 706 N CB -0.341 38.091 38.487 -0.092 0.000 1.002 706 N HN 0.625 nan 8.380 nan 0.000 0.428 707 D N -0.075 120.299 120.400 -0.044 0.000 2.340 707 D HA 0.180 4.818 4.640 -0.003 0.000 0.217 707 D C 1.485 177.772 176.300 -0.023 0.000 1.081 707 D CA -0.029 53.952 54.000 -0.031 0.000 0.842 707 D CB 0.112 40.899 40.800 -0.020 0.000 0.934 707 D HN 0.127 nan 8.370 nan 0.000 0.511 708 A N 2.707 125.514 122.820 -0.021 0.000 1.883 708 A HA -0.124 4.194 4.320 -0.003 0.000 0.217 708 A C 0.051 177.626 177.584 -0.014 0.000 1.186 708 A CA 1.202 53.234 52.037 -0.009 0.000 0.624 708 A CB -1.394 17.606 19.000 -0.000 0.000 0.822 708 A HN 0.192 nan 8.150 nan 0.000 0.444 709 P HA -0.155 nan 4.420 nan 0.000 0.218 709 P C 1.505 178.788 177.300 -0.027 0.000 1.148 709 P CA 1.993 65.077 63.100 -0.026 0.000 0.822 709 P CB -0.103 31.576 31.700 -0.034 0.000 0.784 710 A N 0.338 123.141 122.820 -0.028 0.000 1.874 710 A HA -0.048 4.270 4.320 -0.003 0.000 0.214 710 A C 2.475 180.048 177.584 -0.018 0.000 1.189 710 A CA 0.959 52.980 52.037 -0.027 0.000 0.615 710 A CB -1.475 17.508 19.000 -0.029 0.000 0.830 710 A HN 0.087 nan 8.150 nan 0.000 0.443 711 L N -0.581 120.634 121.223 -0.013 0.000 2.127 711 L HA -0.213 4.126 4.340 -0.003 0.000 0.211 711 L C 2.600 179.466 176.870 -0.008 0.000 1.089 711 L CA 1.943 56.778 54.840 -0.007 0.000 0.757 711 L CB -0.487 41.570 42.059 -0.003 0.000 0.899 711 L HN 0.453 nan 8.230 nan 0.000 0.434 712 K N 0.670 121.065 120.400 -0.010 0.000 2.116 712 K HA -0.176 4.142 4.320 -0.003 0.000 0.203 712 K C 2.233 178.826 176.600 -0.012 0.000 1.052 712 K CA 1.024 57.306 56.287 -0.009 0.000 0.952 712 K CB 0.126 32.620 32.500 -0.009 0.000 0.729 712 K HN 0.083 nan 8.250 nan 0.000 0.446 713 K N 0.381 120.771 120.400 -0.017 0.000 2.296 713 K HA 0.045 4.363 4.320 -0.003 0.000 0.200 713 K C 0.195 176.786 176.600 -0.015 0.000 1.048 713 K CA 0.352 56.628 56.287 -0.020 0.000 0.966 713 K CB 0.071 32.553 32.500 -0.029 0.000 0.754 713 K HN 0.148 nan 8.250 nan 0.000 0.466 714 A N 1.229 124.043 122.820 -0.010 0.000 2.406 714 A HA 0.025 4.344 4.320 -0.003 0.000 0.243 714 A C 0.534 178.115 177.584 -0.005 0.000 1.082 714 A CA -0.168 51.867 52.037 -0.003 0.000 0.786 714 A CB 0.376 19.376 19.000 0.000 0.000 1.029 714 A HN 0.312 nan 8.150 nan 0.000 0.495 715 E N -0.232 119.967 120.200 -0.002 0.000 2.150 715 E HA -0.030 4.318 4.350 -0.003 0.000 0.193 715 E C -0.424 176.170 176.600 -0.010 0.000 0.985 715 E CA 1.291 57.687 56.400 -0.007 0.000 0.814 715 E CB -0.120 29.576 29.700 -0.007 0.000 0.752 715 E HN 0.533 nan 8.360 nan 0.000 0.466 716 I N -0.056 120.509 120.570 -0.008 0.000 2.649 716 I HA 0.260 4.428 4.170 -0.003 0.000 0.275 716 I C 0.090 176.202 176.117 -0.007 0.000 1.153 716 I CA -0.450 60.843 61.300 -0.011 0.000 1.069 716 I CB 1.675 39.665 38.000 -0.016 0.000 1.227 716 I HN -0.133 nan 8.210 nan 0.000 0.505 717 G N 5.812 114.609 108.800 -0.006 0.000 2.398 717 G HA2 0.547 4.505 3.960 -0.003 0.000 0.246 717 G HA3 0.547 4.505 3.960 -0.003 0.000 0.246 717 G C -0.245 174.653 174.900 -0.003 0.000 1.289 717 G CA -0.109 44.989 45.100 -0.003 0.000 0.869 717 G HN 0.467 nan 8.290 nan 0.000 0.543 718 I N 1.870 122.439 120.570 -0.001 0.000 2.389 718 I HA 0.471 4.639 4.170 -0.003 0.000 0.288 718 I C 0.594 176.714 176.117 0.005 0.000 0.999 718 I CA -0.648 60.651 61.300 -0.002 0.000 1.129 718 I CB 1.846 39.841 38.000 -0.007 0.000 1.288 718 I HN 0.580 nan 8.210 nan 0.000 0.444 719 A N 7.474 130.297 122.820 0.006 0.000 2.269 719 A HA 0.867 5.185 4.320 -0.003 0.000 0.327 719 A C -0.288 177.304 177.584 0.013 0.000 1.112 719 A CA -0.686 51.357 52.037 0.011 0.000 0.865 719 A CB 1.054 20.061 19.000 0.012 0.000 1.227 719 A HN 0.592 nan 8.150 nan 0.000 0.498 720 M N 0.837 120.448 119.600 0.017 0.000 2.367 720 M HA 0.282 4.760 4.480 -0.003 0.000 0.339 720 M C 1.537 177.848 176.300 0.019 0.000 1.177 720 M CA -0.179 55.133 55.300 0.020 0.000 1.068 720 M CB 0.813 33.428 32.600 0.024 0.000 1.602 720 M HN 0.906 nan 8.290 nan 0.000 0.457 721 G N 1.089 109.900 108.800 0.018 0.000 2.446 721 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.217 721 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.217 721 G C 1.092 176.003 174.900 0.019 0.000 1.168 721 G CA 1.198 46.308 45.100 0.017 0.000 0.771 721 G HN 0.742 nan 8.290 nan 0.000 0.551 722 S N 0.530 116.243 115.700 0.022 0.000 2.710 722 S HA 0.449 4.917 4.470 -0.003 0.000 0.224 722 S C 1.134 175.749 174.600 0.026 0.000 0.948 722 S CA 0.078 58.293 58.200 0.024 0.000 0.949 722 S CB 0.158 63.374 63.200 0.026 0.000 0.778 722 S HN 0.503 nan 8.310 nan 0.000 0.498 723 G N 1.614 110.429 108.800 0.025 0.000 2.563 723 G HA2 0.475 4.433 3.960 -0.003 0.000 0.283 723 G HA3 0.475 4.433 3.960 -0.003 0.000 0.283 723 G C 0.203 175.123 174.900 0.033 0.000 1.309 723 G CA -0.182 44.934 45.100 0.027 0.000 1.022 723 G HN 0.462 nan 8.290 nan 0.000 0.501 724 T N -3.131 111.447 114.554 0.040 0.000 2.754 724 T HA 0.461 4.809 4.350 -0.003 0.000 0.286 724 T C 1.647 176.385 174.700 0.064 0.000 0.997 724 T CA 0.435 62.573 62.100 0.063 0.000 0.982 724 T CB 1.249 70.165 68.868 0.081 0.000 1.027 724 T HN 0.828 nan 8.240 nan 0.000 0.529 725 A N 0.424 123.293 122.820 0.082 0.000 1.897 725 A HA 0.111 4.429 4.320 -0.003 0.000 0.215 725 A C 2.436 180.055 177.584 0.058 0.000 1.181 725 A CA 1.229 53.297 52.037 0.051 0.000 0.620 725 A CB -1.170 17.843 19.000 0.022 0.000 0.821 725 A HN 0.695 nan 8.150 nan 0.000 0.443 726 V N 0.135 120.117 119.914 0.112 0.000 2.287 726 V HA -0.282 3.837 4.120 -0.003 0.000 0.248 726 V C 3.086 179.216 176.094 0.060 0.000 1.053 726 V CA 1.983 64.346 62.300 0.105 0.000 1.027 726 V CB -1.314 30.624 31.823 0.191 0.000 0.646 726 V HN 0.611 nan 8.190 nan 0.000 0.447 727 A N -0.114 122.738 122.820 0.053 0.000 1.892 727 A HA -0.312 4.006 4.320 -0.003 0.000 0.218 727 A C 2.274 179.871 177.584 0.023 0.000 1.188 727 A CA 2.411 54.465 52.037 0.029 0.000 0.631 727 A CB -0.518 18.496 19.000 0.024 0.000 0.822 727 A HN 0.583 nan 8.150 nan 0.000 0.447 728 K N -0.741 119.674 120.400 0.025 0.000 2.009 728 K HA -0.126 4.192 4.320 -0.003 0.000 0.210 728 K C 2.059 178.667 176.600 0.012 0.000 1.049 728 K CA 1.911 58.208 56.287 0.016 0.000 0.929 728 K CB -0.658 31.852 32.500 0.016 0.000 0.714 728 K HN 0.667 nan 8.250 nan 0.000 0.440 729 T N 0.010 114.573 114.554 0.014 0.000 2.946 729 T HA -0.087 4.261 4.350 -0.003 0.000 0.271 729 T C 1.788 176.493 174.700 0.008 0.000 1.104 729 T CA 1.138 63.242 62.100 0.008 0.000 1.114 729 T CB -0.174 68.697 68.868 0.006 0.000 0.867 729 T HN 0.235 nan 8.240 nan 0.000 0.513 730 A N 1.378 124.206 122.820 0.012 0.000 2.308 730 A HA 0.462 4.780 4.320 -0.003 0.000 0.217 730 A C 1.345 178.932 177.584 0.004 0.000 1.216 730 A CA -0.089 51.953 52.037 0.008 0.000 0.864 730 A CB -0.034 18.972 19.000 0.010 0.000 0.902 730 A HN 0.556 nan 8.150 nan 0.000 0.499 731 S N -1.174 114.529 115.700 0.005 0.000 2.593 731 S HA 0.544 5.012 4.470 -0.003 0.000 0.297 731 S C 0.164 174.764 174.600 0.000 0.000 1.112 731 S CA -0.440 57.762 58.200 0.002 0.000 1.043 731 S CB 1.649 64.851 63.200 0.004 0.000 1.054 731 S HN 0.120 nan 8.310 nan 0.000 0.516 732 E N 0.686 120.885 120.200 -0.003 0.000 2.158 732 E HA 0.227 4.575 4.350 -0.003 0.000 0.191 732 E C 0.469 177.067 176.600 -0.003 0.000 0.982 732 E CA 0.773 57.171 56.400 -0.004 0.000 0.823 732 E CB 0.102 29.798 29.700 -0.007 0.000 0.766 732 E HN 0.731 nan 8.360 nan 0.000 0.468 733 M N -0.427 119.170 119.600 -0.005 0.000 2.691 733 M HA 0.478 4.956 4.480 -0.003 0.000 0.293 733 M C -1.682 174.616 176.300 -0.003 0.000 1.259 733 M CA -0.929 54.367 55.300 -0.006 0.000 0.827 733 M CB 2.156 34.748 32.600 -0.014 0.000 1.753 733 M HN -0.291 nan 8.290 nan 0.000 0.465 734 V N 4.007 123.920 119.914 -0.003 0.000 2.559 734 V HA 0.283 4.401 4.120 -0.003 0.000 0.289 734 V C -0.602 175.492 176.094 0.000 0.000 1.036 734 V CA -0.654 61.646 62.300 0.001 0.000 0.887 734 V CB 1.674 33.501 31.823 0.005 0.000 1.022 734 V HN 0.775 nan 8.190 nan 0.000 0.442 735 L N 4.040 125.263 121.223 -0.000 0.000 2.536 735 L HA 0.234 4.573 4.340 -0.003 0.000 0.282 735 L C 1.905 178.780 176.870 0.008 0.000 1.174 735 L CA 0.072 54.913 54.840 0.000 0.000 0.989 735 L CB -0.021 42.038 42.059 0.002 0.000 1.311 735 L HN 0.793 nan 8.230 nan 0.000 0.455 736 A N 2.903 125.727 122.820 0.007 0.000 2.042 736 A HA -0.228 4.091 4.320 -0.003 0.000 0.222 736 A C 1.699 179.292 177.584 0.013 0.000 1.167 736 A CA 2.080 54.123 52.037 0.010 0.000 0.649 736 A CB -0.347 18.658 19.000 0.009 0.000 0.809 736 A HN 0.886 nan 8.150 nan 0.000 0.457 737 D N -2.799 117.610 120.400 0.014 0.000 2.440 737 D HA 0.079 4.718 4.640 -0.003 0.000 0.216 737 D C -0.260 176.056 176.300 0.026 0.000 1.150 737 D CA 0.554 54.565 54.000 0.019 0.000 0.832 737 D CB -0.299 40.511 40.800 0.018 0.000 0.992 737 D HN 0.251 nan 8.370 nan 0.000 0.502 738 D N 0.189 120.604 120.400 0.026 0.000 3.041 738 D HA -0.220 4.418 4.640 -0.003 0.000 0.214 738 D C 0.024 176.355 176.300 0.052 0.000 1.153 738 D CA 0.805 54.827 54.000 0.035 0.000 0.972 738 D CB -1.423 39.399 40.800 0.037 0.000 1.126 738 D HN 0.376 nan 8.370 nan 0.000 0.400 739 N N 0.139 118.869 118.700 0.050 0.000 2.420 739 N HA 0.028 4.766 4.740 -0.003 0.000 0.262 739 N C 1.016 176.588 175.510 0.104 0.000 1.144 739 N CA -0.055 53.043 53.050 0.080 0.000 0.952 739 N CB 0.089 38.614 38.487 0.063 0.000 1.081 739 N HN 0.053 nan 8.380 nan 0.000 0.480 740 F N 4.368 124.319 119.950 0.001 0.000 2.063 740 F HA -0.386 4.139 4.527 -0.003 0.000 0.298 740 F C 2.404 178.204 175.800 -0.000 0.000 1.105 740 F CA 2.575 60.574 58.000 -0.001 0.000 1.215 740 F CB -0.582 38.415 39.000 -0.005 0.000 0.972 740 F HN 0.647 nan 8.300 nan 0.000 0.483 741 S N -0.698 115.098 115.700 0.159 0.000 2.381 741 S HA -0.347 4.122 4.470 -0.003 0.000 0.230 741 S C 1.951 176.483 174.600 -0.114 0.000 1.052 741 S CA 2.184 60.402 58.200 0.030 0.000 1.068 741 S CB -1.704 61.558 63.200 0.104 0.000 0.918 741 S HN 0.568 nan 8.310 nan 0.000 0.448 742 T N 2.568 117.080 114.554 -0.069 0.000 2.760 742 T HA -0.041 4.307 4.350 -0.003 0.000 0.269 742 T C 1.632 176.257 174.700 -0.126 0.000 1.047 742 T CA 1.624 63.682 62.100 -0.069 0.000 1.139 742 T CB -0.588 68.258 68.868 -0.036 0.000 0.855 742 T HN 0.452 nan 8.240 nan 0.000 0.471 743 I N 0.299 120.732 120.570 -0.228 0.000 2.090 743 I HA -0.182 3.986 4.170 -0.003 0.000 0.236 743 I C 2.480 178.447 176.117 -0.250 0.000 1.064 743 I CA 1.086 62.225 61.300 -0.267 0.000 1.324 743 I CB -0.628 37.116 38.000 -0.427 0.000 1.044 743 I HN 0.081 nan 8.210 nan 0.000 0.399 744 V N 1.272 120.974 119.914 -0.354 0.000 2.220 744 V HA -0.406 3.712 4.120 -0.003 0.000 0.250 744 V C 2.750 178.776 176.094 -0.113 0.000 1.056 744 V CA 2.302 64.473 62.300 -0.215 0.000 1.016 744 V CB -1.295 30.419 31.823 -0.182 0.000 0.639 744 V HN 0.587 nan 8.190 nan 0.000 0.446 745 A N 0.007 122.773 122.820 -0.091 0.000 1.906 745 A HA -0.374 3.944 4.320 -0.003 0.000 0.222 745 A C 2.419 179.980 177.584 -0.039 0.000 1.282 745 A CA 3.553 55.563 52.037 -0.046 0.000 0.675 745 A CB -1.265 17.714 19.000 -0.035 0.000 0.838 745 A HN 0.772 nan 8.150 nan 0.000 0.469 746 A N -1.175 121.612 122.820 -0.054 0.000 1.865 746 A HA -0.043 4.275 4.320 -0.003 0.000 0.217 746 A C 2.224 179.787 177.584 -0.035 0.000 1.191 746 A CA 2.010 54.024 52.037 -0.039 0.000 0.623 746 A CB -1.239 17.732 19.000 -0.048 0.000 0.826 746 A HN 0.663 nan 8.150 nan 0.000 0.444 747 V N 0.212 120.093 119.914 -0.055 0.000 2.439 747 V HA -0.335 3.783 4.120 -0.003 0.000 0.253 747 V C 2.528 178.609 176.094 -0.021 0.000 1.074 747 V CA 2.602 64.876 62.300 -0.044 0.000 1.076 747 V CB -0.691 31.097 31.823 -0.059 0.000 0.664 747 V HN 0.803 nan 8.190 nan 0.000 0.461 748 E N -0.511 119.678 120.200 -0.018 0.000 2.028 748 E HA -0.195 4.153 4.350 -0.003 0.000 0.190 748 E C 2.288 178.897 176.600 0.014 0.000 0.984 748 E CA 0.896 57.296 56.400 -0.000 0.000 0.800 748 E CB -0.071 29.628 29.700 -0.001 0.000 0.758 748 E HN 0.513 nan 8.360 nan 0.000 0.448 749 E N 0.031 120.239 120.200 0.013 0.000 2.130 749 E HA -0.173 4.175 4.350 -0.003 0.000 0.196 749 E C 1.991 178.613 176.600 0.035 0.000 0.998 749 E CA 1.176 57.592 56.400 0.028 0.000 0.806 749 E CB -0.456 29.259 29.700 0.025 0.000 0.738 749 E HN 0.454 nan 8.360 nan 0.000 0.459 750 G N 0.813 109.627 108.800 0.023 0.000 2.422 750 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.218 750 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.218 750 G C 1.695 176.626 174.900 0.052 0.000 1.146 750 G CA 0.471 45.588 45.100 0.028 0.000 0.769 750 G HN 0.202 nan 8.290 nan 0.000 0.547 751 R N 0.207 120.734 120.500 0.044 0.000 2.148 751 R HA 0.171 4.510 4.340 -0.003 0.000 0.223 751 R C 2.909 179.256 176.300 0.078 0.000 1.088 751 R CA 0.840 56.980 56.100 0.066 0.000 0.985 751 R CB -0.140 30.184 30.300 0.041 0.000 0.880 751 R HN 0.364 nan 8.270 nan 0.000 0.451 752 A N 1.398 124.253 122.820 0.058 0.000 1.855 752 A HA -0.070 4.248 4.320 -0.003 0.000 0.213 752 A C 2.013 179.624 177.584 0.045 0.000 1.195 752 A CA 0.737 52.802 52.037 0.047 0.000 0.610 752 A CB -0.228 18.800 19.000 0.048 0.000 0.837 752 A HN 0.021 nan 8.150 nan 0.000 0.444 753 I N -1.138 119.470 120.570 0.063 0.000 2.091 753 I HA -0.273 3.895 4.170 -0.003 0.000 0.239 753 I C 2.430 178.567 176.117 0.034 0.000 1.061 753 I CA 1.909 63.245 61.300 0.060 0.000 1.317 753 I CB -1.615 36.433 38.000 0.081 0.000 1.031 753 I HN 0.513 nan 8.210 nan 0.000 0.401 754 Y N 2.565 122.827 120.300 -0.063 0.000 2.069 754 Y HA -0.327 4.221 4.550 -0.003 0.000 0.278 754 Y C 2.559 178.377 175.900 -0.137 0.000 1.175 754 Y CA 1.910 59.948 58.100 -0.103 0.000 1.134 754 Y CB -0.733 37.685 38.460 -0.070 0.000 0.965 754 Y HN 0.259 nan 8.280 nan 0.000 0.498 755 N N 0.605 119.212 118.700 -0.155 0.000 2.021 755 N HA -0.238 4.501 4.740 -0.003 0.000 0.198 755 N C 1.431 176.759 175.510 -0.303 0.000 1.041 755 N CA 1.871 54.780 53.050 -0.235 0.000 0.862 755 N CB -0.809 37.629 38.487 -0.082 0.000 1.048 755 N HN 0.439 nan 8.380 nan 0.000 0.427 756 N N 0.823 119.395 118.700 -0.214 0.000 2.084 756 N HA -0.135 4.604 4.740 -0.003 0.000 0.190 756 N C 1.807 177.032 175.510 -0.475 0.000 1.030 756 N CA 0.778 53.698 53.050 -0.217 0.000 0.849 756 N CB -0.494 37.938 38.487 -0.091 0.000 1.012 756 N HN 0.346 nan 8.380 nan 0.000 0.423 757 M N 1.282 120.517 119.600 -0.609 0.000 2.082 757 M HA -0.258 4.220 4.480 -0.003 0.000 0.258 757 M C 2.082 177.576 176.300 -1.344 0.000 1.071 757 M CA 1.802 56.360 55.300 -1.237 0.000 1.103 757 M CB -0.123 32.150 32.600 -0.545 0.000 1.307 757 M HN 0.045 nan 8.290 nan 0.000 0.409 758 K N -0.428 119.400 120.400 -0.954 0.000 2.077 758 K HA -0.285 4.033 4.320 -0.003 0.000 0.213 758 K C 1.933 178.225 176.600 -0.513 0.000 1.051 758 K CA 2.094 57.901 56.287 -0.801 0.000 0.929 758 K CB -0.182 31.772 32.500 -0.910 0.000 0.715 758 K HN 0.480 nan 8.250 nan 0.000 0.451 759 Q N 0.102 119.644 119.800 -0.431 0.000 2.016 759 Q HA -0.152 4.186 4.340 -0.003 0.000 0.200 759 Q C 2.123 178.070 176.000 -0.089 0.000 0.978 759 Q CA 1.747 57.424 55.803 -0.211 0.000 0.833 759 Q CB -0.568 28.084 28.738 -0.144 0.000 0.895 759 Q HN 0.593 nan 8.270 nan 0.000 0.427 760 F N -0.306 119.595 119.950 -0.082 0.000 2.408 760 F HA -0.032 4.493 4.527 -0.003 0.000 0.300 760 F C 1.821 177.599 175.800 -0.037 0.000 1.090 760 F CA 0.313 58.308 58.000 -0.008 0.000 1.427 760 F CB -1.082 37.895 39.000 -0.039 0.000 1.070 760 F HN -0.058 nan 8.300 nan 0.000 0.549 761 I N 0.865 121.509 120.570 0.122 0.000 2.193 761 I HA -0.191 3.977 4.170 -0.003 0.000 0.240 761 I C 2.640 178.696 176.117 -0.102 0.000 1.084 761 I CA 1.257 62.586 61.300 0.048 0.000 1.365 761 I CB -0.530 37.382 38.000 -0.147 0.000 1.064 761 I HN -0.021 nan 8.210 nan 0.000 0.410 762 R N -0.312 120.097 120.500 -0.151 0.000 2.105 762 R HA -0.240 4.098 4.340 -0.003 0.000 0.239 762 R C 2.328 178.454 176.300 -0.290 0.000 1.135 762 R CA 1.740 57.683 56.100 -0.262 0.000 0.967 762 R CB -0.707 29.505 30.300 -0.147 0.000 0.861 762 R HN 0.335 nan 8.270 nan 0.000 0.442 763 Y N 1.961 122.134 120.300 -0.212 0.000 2.034 763 Y HA -0.242 4.306 4.550 -0.003 0.000 0.269 763 Y C 1.942 177.725 175.900 -0.195 0.000 1.125 763 Y CA 1.491 59.491 58.100 -0.167 0.000 1.097 763 Y CB -0.853 37.578 38.460 -0.049 0.000 0.978 763 Y HN -0.107 nan 8.280 nan 0.000 0.480 764 L N -0.183 120.808 121.223 -0.388 0.000 1.997 764 L HA -0.325 4.013 4.340 -0.003 0.000 0.216 764 L C 2.613 179.272 176.870 -0.350 0.000 1.074 764 L CA 1.617 56.170 54.840 -0.480 0.000 0.763 764 L CB -0.988 40.892 42.059 -0.297 0.000 0.890 764 L HN 0.308 nan 8.230 nan 0.000 0.434 765 I N 0.453 120.835 120.570 -0.313 0.000 2.113 765 I HA -0.353 3.815 4.170 -0.003 0.000 0.242 765 I C 2.964 178.903 176.117 -0.297 0.000 1.064 765 I CA 2.207 63.318 61.300 -0.314 0.000 1.320 765 I CB -1.182 36.563 38.000 -0.425 0.000 1.028 765 I HN 0.489 nan 8.210 nan 0.000 0.406 766 S N 1.281 116.724 115.700 -0.429 0.000 2.369 766 S HA -0.268 4.200 4.470 -0.003 0.000 0.225 766 S C 2.284 176.761 174.600 -0.205 0.000 1.043 766 S CA 2.503 60.463 58.200 -0.399 0.000 1.074 766 S CB -1.130 61.686 63.200 -0.640 0.000 0.962 766 S HN 0.612 nan 8.310 nan 0.000 0.433 767 S N 3.169 118.740 115.700 -0.215 0.000 2.359 767 S HA -0.283 4.185 4.470 -0.003 0.000 0.222 767 S C 1.756 176.283 174.600 -0.123 0.000 1.038 767 S CA 1.790 59.897 58.200 -0.155 0.000 1.051 767 S CB -1.609 61.451 63.200 -0.233 0.000 0.944 767 S HN 0.642 nan 8.310 nan 0.000 0.433 768 N N 1.027 119.643 118.700 -0.139 0.000 2.242 768 N HA -0.089 4.649 4.740 -0.003 0.000 0.191 768 N C 1.512 176.990 175.510 -0.053 0.000 1.005 768 N CA 1.326 54.329 53.050 -0.079 0.000 0.877 768 N CB -0.496 37.963 38.487 -0.046 0.000 0.983 768 N HN 0.354 nan 8.380 nan 0.000 0.439 769 V N -0.408 119.463 119.914 -0.072 0.000 2.323 769 V HA -0.103 4.015 4.120 -0.003 0.000 0.244 769 V C 2.307 178.372 176.094 -0.048 0.000 1.041 769 V CA 2.068 64.331 62.300 -0.063 0.000 1.025 769 V CB -1.042 30.724 31.823 -0.095 0.000 0.656 769 V HN 0.441 nan 8.190 nan 0.000 0.451 770 G N -0.706 108.068 108.800 -0.042 0.000 2.408 770 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.217 770 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.217 770 G C 1.410 176.300 174.900 -0.017 0.000 1.150 770 G CA 0.732 45.819 45.100 -0.021 0.000 0.776 770 G HN 0.562 nan 8.290 nan 0.000 0.542 771 E N 0.075 120.259 120.200 -0.027 0.000 2.097 771 E HA -0.141 4.207 4.350 -0.003 0.000 0.196 771 E C 2.693 179.292 176.600 -0.002 0.000 1.000 771 E CA 1.259 57.648 56.400 -0.019 0.000 0.804 771 E CB -0.224 29.459 29.700 -0.029 0.000 0.740 771 E HN 0.331 nan 8.360 nan 0.000 0.454 772 V N 1.084 120.995 119.914 -0.005 0.000 2.427 772 V HA -0.221 3.897 4.120 -0.003 0.000 0.248 772 V C 2.408 178.534 176.094 0.054 0.000 1.051 772 V CA 1.217 63.524 62.300 0.011 0.000 1.048 772 V CB -0.363 31.449 31.823 -0.018 0.000 0.666 772 V HN 0.119 nan 8.190 nan 0.000 0.456 773 V N -0.507 119.431 119.914 0.040 0.000 2.252 773 V HA -0.373 3.746 4.120 -0.003 0.000 0.249 773 V C 2.606 178.784 176.094 0.140 0.000 1.056 773 V CA 2.340 64.698 62.300 0.097 0.000 1.022 773 V CB -0.956 30.897 31.823 0.050 0.000 0.641 773 V HN 0.799 nan 8.190 nan 0.000 0.445 774 C N 0.577 119.914 119.300 0.062 0.000 2.359 774 C HA -0.234 4.224 4.460 -0.003 0.000 0.279 774 C C 2.604 177.627 174.990 0.055 0.000 1.191 774 C CA 1.573 60.612 59.018 0.034 0.000 1.764 774 C CB -1.168 26.573 27.740 0.002 0.000 2.026 774 C HN 0.543 nan 8.230 nan 0.000 0.442 775 I N 0.705 121.310 120.570 0.058 0.000 2.236 775 I HA -0.167 4.001 4.170 -0.003 0.000 0.249 775 I C 2.292 178.478 176.117 0.116 0.000 1.102 775 I CA 1.914 63.251 61.300 0.061 0.000 1.365 775 I CB -1.866 36.164 38.000 0.051 0.000 1.051 775 I HN 0.506 nan 8.210 nan 0.000 0.420 776 F N 1.818 121.767 119.950 -0.003 0.000 2.000 776 F HA -0.183 4.343 4.527 -0.003 0.000 0.295 776 F C 2.450 178.267 175.800 0.028 0.000 1.159 776 F CA 1.526 59.533 58.000 0.011 0.000 1.171 776 F CB -0.885 38.120 39.000 0.009 0.000 0.971 776 F HN -0.117 nan 8.300 nan 0.000 0.479 777 L N -0.069 121.086 121.223 -0.113 0.000 2.011 777 L HA -0.402 3.936 4.340 -0.003 0.000 0.225 777 L C 2.518 179.293 176.870 -0.158 0.000 1.084 777 L CA 2.361 57.066 54.840 -0.225 0.000 0.791 777 L CB -1.560 40.471 42.059 -0.046 0.000 0.898 777 L HN 0.305 nan 8.230 nan 0.000 0.440 778 T N -1.078 113.440 114.554 -0.060 0.000 2.751 778 T HA -0.284 4.064 4.350 -0.003 0.000 0.268 778 T C 1.532 176.258 174.700 0.044 0.000 1.045 778 T CA 1.771 63.862 62.100 -0.016 0.000 1.142 778 T CB -0.074 68.792 68.868 -0.004 0.000 0.851 778 T HN 0.550 nan 8.240 nan 0.000 0.474 779 A N -0.499 122.317 122.820 -0.005 0.000 2.115 779 A HA 0.639 4.957 4.320 -0.003 0.000 0.211 779 A C 2.393 179.980 177.584 0.006 0.000 1.169 779 A CA 1.025 53.107 52.037 0.075 0.000 0.787 779 A CB -0.417 18.600 19.000 0.028 0.000 0.858 779 A HN 0.493 nan 8.150 nan 0.000 0.474 780 A N -0.159 122.503 122.820 -0.264 0.000 2.016 780 A HA 0.191 4.509 4.320 -0.003 0.000 0.217 780 A C 1.970 179.475 177.584 -0.131 0.000 1.162 780 A CA 1.106 52.934 52.037 -0.348 0.000 0.662 780 A CB -0.357 18.117 19.000 -0.877 0.000 0.812 780 A HN 0.432 nan 8.150 nan 0.000 0.450 781 L N -2.416 118.760 121.223 -0.079 0.000 2.253 781 L HA 0.272 4.610 4.340 -0.003 0.000 0.205 781 L C 1.972 178.868 176.870 0.044 0.000 1.078 781 L CA 0.825 55.665 54.840 -0.000 0.000 0.805 781 L CB -0.225 41.834 42.059 0.001 0.000 0.963 781 L HN 0.523 nan 8.230 nan 0.000 0.459 782 G N 0.189 109.049 108.800 0.100 0.000 2.253 782 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.209 782 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.209 782 G C 0.097 175.132 174.900 0.226 0.000 0.997 782 G CA -0.078 45.126 45.100 0.173 0.000 0.640 782 G HN 0.105 nan 8.290 nan 0.000 0.496 783 L N 2.904 124.172 121.223 0.075 0.000 2.605 783 L HA 0.364 4.703 4.340 -0.003 0.000 0.296 783 L C -1.548 175.267 176.870 -0.091 0.000 1.255 783 L CA -0.249 54.552 54.840 -0.065 0.000 0.879 783 L CB 0.022 42.001 42.059 -0.134 0.000 1.124 783 L HN 0.074 nan 8.230 nan 0.000 0.507 784 P HA -0.012 nan 4.420 nan 0.000 0.267 784 P C -1.034 176.128 177.300 -0.230 0.000 1.200 784 P CA -0.062 62.662 63.100 -0.628 0.000 0.772 784 P CB 0.255 31.368 31.700 -0.978 0.000 0.855 785 E N 1.465 121.639 120.200 -0.043 0.000 2.820 785 E HA -0.117 4.231 4.350 -0.003 0.000 0.251 785 E C 0.901 177.448 176.600 -0.089 0.000 0.944 785 E CA 0.198 56.588 56.400 -0.018 0.000 0.955 785 E CB 0.253 29.971 29.700 0.030 0.000 0.904 785 E HN 0.440 nan 8.360 nan 0.000 0.513 786 A N 4.779 127.551 122.820 -0.079 0.000 1.984 786 A HA 0.096 4.415 4.320 -0.003 0.000 0.214 786 A C 0.633 178.183 177.584 -0.057 0.000 1.173 786 A CA 0.637 52.618 52.037 -0.093 0.000 0.673 786 A CB 0.371 19.323 19.000 -0.081 0.000 0.830 786 A HN 0.487 nan 8.150 nan 0.000 0.453 787 L N 0.153 121.358 121.223 -0.029 0.000 2.445 787 L HA 0.481 4.820 4.340 -0.003 0.000 0.262 787 L C -1.186 175.688 176.870 0.007 0.000 0.974 787 L CA -0.628 54.209 54.840 -0.006 0.000 0.822 787 L CB 2.285 44.344 42.059 -0.000 0.000 1.339 787 L HN 0.023 nan 8.230 nan 0.000 0.409 788 I N 2.680 123.263 120.570 0.021 0.000 2.460 788 I HA 0.304 4.472 4.170 -0.003 0.000 0.298 788 I C -1.530 174.604 176.117 0.029 0.000 0.989 788 I CA -2.283 59.026 61.300 0.016 0.000 1.173 788 I CB 1.814 39.810 38.000 -0.006 0.000 1.338 788 I HN 0.319 nan 8.210 nan 0.000 0.456 789 P HA -0.198 nan 4.420 nan 0.000 0.217 789 P C 1.773 179.102 177.300 0.048 0.000 1.158 789 P CA 1.436 64.550 63.100 0.024 0.000 0.887 789 P CB 0.235 31.942 31.700 0.012 0.000 0.792 790 V N 0.032 119.960 119.914 0.023 0.000 2.215 790 V HA -0.380 3.738 4.120 -0.003 0.000 0.249 790 V C 2.468 178.688 176.094 0.210 0.000 1.054 790 V CA 2.472 64.793 62.300 0.035 0.000 1.012 790 V CB -1.911 29.792 31.823 -0.200 0.000 0.639 790 V HN 0.214 nan 8.190 nan 0.000 0.448 791 Q N 0.267 120.220 119.800 0.254 0.000 2.012 791 Q HA -0.261 4.077 4.340 -0.003 0.000 0.211 791 Q C 2.298 178.474 176.000 0.294 0.000 1.009 791 Q CA 2.353 58.409 55.803 0.421 0.000 0.866 791 Q CB -0.760 28.156 28.738 0.297 0.000 0.945 791 Q HN 0.550 nan 8.270 nan 0.000 0.414 792 L N 0.545 121.863 121.223 0.159 0.000 1.991 792 L HA -0.297 4.041 4.340 -0.003 0.000 0.221 792 L C 2.609 179.537 176.870 0.098 0.000 1.079 792 L CA 1.408 56.303 54.840 0.092 0.000 0.778 792 L CB -0.857 41.229 42.059 0.045 0.000 0.893 792 L HN 0.293 nan 8.230 nan 0.000 0.437 793 L N -1.053 120.238 121.223 0.113 0.000 1.957 793 L HA -0.362 3.976 4.340 -0.003 0.000 0.228 793 L C 2.500 179.450 176.870 0.133 0.000 1.086 793 L CA 2.243 57.142 54.840 0.097 0.000 0.796 793 L CB -0.925 41.204 42.059 0.117 0.000 0.900 793 L HN 0.592 nan 8.230 nan 0.000 0.439 794 W N 0.658 122.005 121.300 0.079 0.000 2.257 794 W HA -0.326 4.332 4.660 -0.003 0.000 0.325 794 W C 2.082 178.615 176.519 0.023 0.000 1.296 794 W CA 2.484 59.875 57.345 0.077 0.000 1.297 794 W CB -0.572 28.970 29.460 0.138 0.000 1.131 794 W HN 0.037 nan 8.180 nan 0.000 0.492 795 V N 2.153 122.099 119.914 0.053 0.000 2.220 795 V HA -0.418 3.700 4.120 -0.003 0.000 0.242 795 V C 2.316 178.296 176.094 -0.190 0.000 1.041 795 V CA 2.573 64.817 62.300 -0.093 0.000 0.990 795 V CB -1.456 30.363 31.823 -0.008 0.000 0.634 795 V HN 0.154 nan 8.190 nan 0.000 0.452 796 N N 0.159 118.780 118.700 -0.132 0.000 2.242 796 N HA -0.194 4.544 4.740 -0.003 0.000 0.191 796 N C 1.615 177.009 175.510 -0.193 0.000 1.005 796 N CA 1.550 54.502 53.050 -0.163 0.000 0.877 796 N CB -0.418 37.998 38.487 -0.119 0.000 0.983 796 N HN 0.464 nan 8.380 nan 0.000 0.439 797 L N -0.464 120.632 121.223 -0.211 0.000 2.200 797 L HA 0.029 4.367 4.340 -0.003 0.000 0.200 797 L C 1.823 178.492 176.870 -0.333 0.000 1.072 797 L CA 0.550 55.250 54.840 -0.234 0.000 0.787 797 L CB 0.053 42.002 42.059 -0.183 0.000 0.957 797 L HN -0.041 nan 8.230 nan 0.000 0.459 798 V N -1.816 117.778 119.914 -0.534 0.000 3.204 798 V HA -0.093 4.025 4.120 -0.003 0.000 0.218 798 V C 2.406 178.226 176.094 -0.456 0.000 1.159 798 V CA 1.124 63.049 62.300 -0.624 0.000 1.282 798 V CB -0.737 30.356 31.823 -1.216 0.000 1.225 798 V HN 0.431 nan 8.190 nan 0.000 0.509 799 T N -1.000 113.231 114.554 -0.538 0.000 2.792 799 T HA -0.313 4.035 4.350 -0.003 0.000 0.268 799 T C 1.161 175.793 174.700 -0.113 0.000 1.059 799 T CA 2.558 64.535 62.100 -0.205 0.000 1.136 799 T CB -0.486 68.328 68.868 -0.089 0.000 0.846 799 T HN 0.457 nan 8.240 nan 0.000 0.489 800 D N 0.369 120.668 120.400 -0.167 0.000 2.388 800 D HA 0.291 4.929 4.640 -0.003 0.000 0.208 800 D C 2.257 178.494 176.300 -0.105 0.000 1.035 800 D CA 0.657 54.585 54.000 -0.121 0.000 0.875 800 D CB -0.378 40.286 40.800 -0.226 0.000 0.984 800 D HN 0.484 nan 8.370 nan 0.000 0.508 801 G N 0.753 109.453 108.800 -0.166 0.000 2.404 801 G HA2 -0.155 3.804 3.960 -0.003 0.000 0.214 801 G HA3 -0.155 3.804 3.960 -0.003 0.000 0.214 801 G C 1.578 176.403 174.900 -0.124 0.000 1.189 801 G CA 0.330 45.326 45.100 -0.173 0.000 0.789 801 G HN 0.204 nan 8.290 nan 0.000 0.533 802 L N 1.484 122.647 121.223 -0.101 0.000 2.021 802 L HA -0.117 4.221 4.340 -0.003 0.000 0.215 802 L C 0.356 177.220 176.870 -0.011 0.000 1.074 802 L CA 1.768 56.575 54.840 -0.055 0.000 0.760 802 L CB -1.496 40.546 42.059 -0.029 0.000 0.889 802 L HN 0.256 nan 8.230 nan 0.000 0.433 803 P HA -0.150 nan 4.420 nan 0.000 0.219 803 P C 1.377 178.697 177.300 0.033 0.000 1.150 803 P CA 1.860 64.993 63.100 0.054 0.000 0.814 803 P CB 0.099 31.862 31.700 0.105 0.000 0.787 804 A N 0.805 123.686 122.820 0.100 0.000 1.835 804 A HA -0.177 4.141 4.320 -0.003 0.000 0.215 804 A C 2.515 179.971 177.584 -0.214 0.000 1.199 804 A CA 2.949 55.009 52.037 0.039 0.000 0.615 804 A CB -2.075 16.867 19.000 -0.097 0.000 0.838 804 A HN 0.321 nan 8.150 nan 0.000 0.444 805 T N -0.975 113.382 114.554 -0.329 0.000 2.946 805 T HA 0.017 4.365 4.350 -0.003 0.000 0.271 805 T C 1.716 176.143 174.700 -0.454 0.000 1.104 805 T CA 1.948 63.803 62.100 -0.409 0.000 1.114 805 T CB -0.473 68.219 68.868 -0.293 0.000 0.867 805 T HN 0.575 nan 8.240 nan 0.000 0.513 806 A N 1.457 124.136 122.820 -0.234 0.000 1.854 806 A HA 0.236 4.554 4.320 -0.003 0.000 0.214 806 A C 2.358 179.825 177.584 -0.195 0.000 1.192 806 A CA 1.208 53.173 52.037 -0.120 0.000 0.611 806 A CB -0.895 18.155 19.000 0.084 0.000 0.832 806 A HN 0.558 nan 8.150 nan 0.000 0.442 807 L N 0.023 121.180 121.223 -0.110 0.000 2.351 807 L HA -0.177 4.161 4.340 -0.003 0.000 0.220 807 L C 2.567 179.384 176.870 -0.088 0.000 1.127 807 L CA 0.644 55.451 54.840 -0.055 0.000 0.786 807 L CB -0.663 41.385 42.059 -0.018 0.000 0.914 807 L HN 0.525 nan 8.230 nan 0.000 0.443 808 G N -0.062 108.574 108.800 -0.273 0.000 2.462 808 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.220 808 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.220 808 G C 0.924 175.652 174.900 -0.287 0.000 1.121 808 G CA 0.292 45.217 45.100 -0.292 0.000 0.758 808 G HN 0.342 nan 8.290 nan 0.000 0.559 809 F N 0.777 120.814 119.950 0.145 0.000 2.664 809 F HA 0.328 4.853 4.527 -0.003 0.000 0.301 809 F C 0.518 176.398 175.800 0.133 0.000 1.126 809 F CA -1.824 56.275 58.000 0.164 0.000 1.373 809 F CB -1.012 38.161 39.000 0.289 0.000 1.042 809 F HN -0.137 nan 8.300 nan 0.000 0.535 810 N N 4.227 123.019 118.700 0.153 0.000 2.374 810 N HA -0.009 4.730 4.740 -0.003 0.000 0.269 810 N C -2.264 173.299 175.510 0.089 0.000 1.310 810 N CA -0.906 52.197 53.050 0.088 0.000 0.877 810 N CB 0.045 38.542 38.487 0.016 0.000 1.096 810 N HN 0.030 nan 8.380 nan 0.000 0.484 811 P HA -0.011 nan 4.420 nan 0.000 0.264 811 P C -2.567 174.758 177.300 0.042 0.000 1.179 811 P CA -0.640 62.498 63.100 0.064 0.000 0.763 811 P CB -0.135 31.589 31.700 0.041 0.000 0.806 812 P HA 0.224 nan 4.420 nan 0.000 0.279 812 P C -0.130 177.181 177.300 0.019 0.000 1.239 812 P CA -0.130 62.989 63.100 0.030 0.000 0.789 812 P CB 0.401 32.124 31.700 0.038 0.000 0.933 813 D N 0.870 121.277 120.400 0.012 0.000 2.346 813 D HA 0.010 4.648 4.640 -0.003 0.000 0.236 813 D C 1.458 177.765 176.300 0.012 0.000 1.259 813 D CA 0.096 54.100 54.000 0.008 0.000 0.898 813 D CB 0.601 41.404 40.800 0.005 0.000 1.178 813 D HN 0.286 nan 8.370 nan 0.000 0.457 814 L N 0.216 121.445 121.223 0.009 0.000 2.298 814 L HA -0.030 4.308 4.340 -0.003 0.000 0.209 814 L C 1.444 178.321 176.870 0.011 0.000 1.084 814 L CA 0.515 55.361 54.840 0.011 0.000 0.816 814 L CB -0.123 41.941 42.059 0.009 0.000 0.967 814 L HN 0.377 nan 8.230 nan 0.000 0.460 815 D N 0.305 120.711 120.400 0.010 0.000 2.336 815 D HA -0.008 4.630 4.640 -0.003 0.000 0.228 815 D C 1.664 177.972 176.300 0.013 0.000 1.120 815 D CA 0.016 54.022 54.000 0.010 0.000 0.839 815 D CB -0.195 40.610 40.800 0.008 0.000 0.932 815 D HN 0.351 nan 8.370 nan 0.000 0.509 816 I N -0.454 120.126 120.570 0.015 0.000 2.315 816 I HA -0.245 3.923 4.170 -0.003 0.000 0.251 816 I C 1.906 178.034 176.117 0.019 0.000 1.125 816 I CA 0.963 62.274 61.300 0.019 0.000 1.392 816 I CB -0.446 37.566 38.000 0.022 0.000 1.065 816 I HN 0.003 nan 8.210 nan 0.000 0.424 817 M N -0.168 119.442 119.600 0.016 0.000 2.453 817 M HA 0.083 4.561 4.480 -0.003 0.000 0.239 817 M C 0.431 176.740 176.300 0.015 0.000 1.151 817 M CA 0.735 56.045 55.300 0.015 0.000 0.989 817 M CB -0.404 32.205 32.600 0.015 0.000 1.548 817 M HN 0.214 nan 8.290 nan 0.000 0.479 818 D N 0.032 120.440 120.400 0.014 0.000 2.433 818 D HA 0.163 4.801 4.640 -0.003 0.000 0.211 818 D C 0.359 176.667 176.300 0.013 0.000 1.114 818 D CA 0.118 54.125 54.000 0.013 0.000 0.837 818 D CB 1.294 42.100 40.800 0.010 0.000 0.984 818 D HN 0.254 nan 8.370 nan 0.000 0.505 819 R N 1.893 122.402 120.500 0.015 0.000 2.514 819 R HA 0.316 4.654 4.340 -0.003 0.000 0.301 819 R C -2.345 173.965 176.300 0.017 0.000 0.962 819 R CA -1.600 54.510 56.100 0.016 0.000 0.882 819 R CB 1.917 32.228 30.300 0.019 0.000 1.143 819 R HN -0.081 nan 8.270 nan 0.000 0.452 820 P HA -0.026 nan 4.420 nan 0.000 0.270 820 P C -2.480 174.830 177.300 0.018 0.000 1.221 820 P CA -0.770 62.339 63.100 0.016 0.000 0.788 820 P CB -0.197 31.513 31.700 0.016 0.000 0.904 821 P HA 0.094 nan 4.420 nan 0.000 0.269 821 P C 0.143 177.450 177.300 0.013 0.000 1.215 821 P CA -0.017 63.090 63.100 0.011 0.000 0.780 821 P CB 0.607 32.310 31.700 0.005 0.000 0.898 822 R N 1.558 122.065 120.500 0.011 0.000 2.643 822 R HA 0.151 4.489 4.340 -0.003 0.000 0.270 822 R C 0.301 176.603 176.300 0.003 0.000 1.061 822 R CA -0.168 55.943 56.100 0.018 0.000 1.107 822 R CB 0.176 30.494 30.300 0.031 0.000 0.999 822 R HN 0.475 nan 8.270 nan 0.000 0.460 823 S N 3.627 119.337 115.700 0.017 0.000 2.548 823 S HA 0.186 4.654 4.470 -0.003 0.000 0.277 823 S C -1.705 172.894 174.600 -0.001 0.000 1.315 823 S CA -1.579 56.629 58.200 0.013 0.000 1.050 823 S CB 1.216 64.431 63.200 0.025 0.000 0.918 823 S HN 0.555 nan 8.310 nan 0.000 0.497 824 P HA 0.007 nan 4.420 nan 0.000 0.218 824 P C 0.358 177.655 177.300 -0.005 0.000 1.149 824 P CA 1.031 64.112 63.100 -0.031 0.000 0.817 824 P CB 0.123 31.807 31.700 -0.028 0.000 0.785 825 K N 0.070 120.477 120.400 0.012 0.000 2.591 825 K HA -0.001 4.318 4.320 -0.003 0.000 0.197 825 K C 0.455 177.078 176.600 0.037 0.000 1.026 825 K CA 0.090 56.392 56.287 0.025 0.000 1.127 825 K CB -0.275 32.241 32.500 0.027 0.000 0.871 825 K HN 0.301 nan 8.250 nan 0.000 0.507 826 E N 2.647 122.872 120.200 0.043 0.000 2.194 826 E HA 0.101 4.449 4.350 -0.003 0.000 0.284 826 E C -2.340 174.305 176.600 0.076 0.000 1.035 826 E CA -2.283 54.154 56.400 0.062 0.000 0.836 826 E CB 0.827 30.572 29.700 0.074 0.000 1.070 826 E HN -0.027 nan 8.360 nan 0.000 0.401 827 P HA 0.060 nan 4.420 nan 0.000 0.284 827 P C 0.704 178.054 177.300 0.083 0.000 1.253 827 P CA -0.178 62.971 63.100 0.081 0.000 0.800 827 P CB 1.271 33.023 31.700 0.086 0.000 0.961 828 L N 1.986 123.249 121.223 0.067 0.000 2.046 828 L HA -0.024 4.315 4.340 -0.003 0.000 0.208 828 L C 1.047 177.947 176.870 0.051 0.000 1.077 828 L CA 1.567 56.426 54.840 0.032 0.000 0.747 828 L CB -0.287 41.753 42.059 -0.031 0.000 0.896 828 L HN 0.372 nan 8.230 nan 0.000 0.432 829 I N -0.680 119.939 120.570 0.081 0.000 2.478 829 I HA 0.257 4.425 4.170 -0.003 0.000 0.287 829 I C -0.406 175.846 176.117 0.225 0.000 1.042 829 I CA -0.124 61.263 61.300 0.145 0.000 1.067 829 I CB 1.870 39.938 38.000 0.113 0.000 1.233 829 I HN 0.021 nan 8.210 nan 0.000 0.431 830 S N 3.406 119.248 115.700 0.237 0.000 2.703 830 S HA 0.888 5.356 4.470 -0.003 0.000 0.273 830 S C 0.076 174.804 174.600 0.214 0.000 1.178 830 S CA -0.304 58.041 58.200 0.242 0.000 0.838 830 S CB 1.075 64.357 63.200 0.137 0.000 1.178 830 S HN 1.346 nan 8.310 nan 0.000 0.494 831 G N 1.221 110.104 108.800 0.139 0.000 2.581 831 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.291 831 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.291 831 G C 0.757 175.796 174.900 0.231 0.000 1.277 831 G CA 0.600 45.779 45.100 0.131 0.000 0.959 831 G HN 1.470 nan 8.290 nan 0.000 0.554 832 W N -0.167 121.140 121.300 0.013 0.000 2.424 832 W HA -0.020 4.638 4.660 -0.003 0.000 0.264 832 W C 2.119 178.710 176.519 0.120 0.000 1.229 832 W CA 1.754 59.124 57.345 0.041 0.000 1.208 832 W CB -0.127 29.281 29.460 -0.086 0.000 1.127 832 W HN 0.440 nan 8.180 nan 0.000 0.588 833 L N 0.361 121.663 121.223 0.131 0.000 2.131 833 L HA -0.049 4.289 4.340 -0.003 0.000 0.206 833 L C 2.321 179.180 176.870 -0.018 0.000 1.087 833 L CA 1.757 56.582 54.840 -0.024 0.000 0.767 833 L CB -1.480 40.631 42.059 0.087 0.000 0.917 833 L HN -0.043 nan 8.230 nan 0.000 0.441 834 F N -0.747 119.206 119.950 0.005 0.000 2.095 834 F HA -0.318 4.207 4.527 -0.003 0.000 0.298 834 F C 2.264 178.035 175.800 -0.048 0.000 1.104 834 F CA 1.954 59.978 58.000 0.040 0.000 1.232 834 F CB -0.413 38.627 39.000 0.066 0.000 0.987 834 F HN 0.194 nan 8.300 nan 0.000 0.475 835 F N 1.271 121.251 119.950 0.050 0.000 2.126 835 F HA -0.179 4.346 4.527 -0.003 0.000 0.299 835 F C 2.449 177.986 175.800 -0.438 0.000 1.096 835 F CA 1.772 59.648 58.000 -0.208 0.000 1.255 835 F CB -0.522 38.194 39.000 -0.473 0.000 0.997 835 F HN -0.163 nan 8.300 nan 0.000 0.479 836 R N -1.085 119.053 120.500 -0.602 0.000 2.070 836 R HA -0.207 4.131 4.340 -0.003 0.000 0.232 836 R C 2.070 178.051 176.300 -0.533 0.000 1.138 836 R CA 2.138 57.838 56.100 -0.668 0.000 0.936 836 R CB -0.942 28.927 30.300 -0.718 0.000 0.839 836 R HN 0.319 nan 8.270 nan 0.000 0.429 837 Y N -0.138 119.993 120.300 -0.282 0.000 2.571 837 Y HA -0.078 4.470 4.550 -0.003 0.000 0.294 837 Y C 2.078 177.792 175.900 -0.311 0.000 1.141 837 Y CA 0.513 58.465 58.100 -0.246 0.000 1.308 837 Y CB -0.302 38.026 38.460 -0.219 0.000 1.002 837 Y HN 0.094 nan 8.280 nan 0.000 0.551 838 M N 0.268 119.685 119.600 -0.304 0.000 2.132 838 M HA -0.044 4.434 4.480 -0.003 0.000 0.263 838 M C 2.180 178.295 176.300 -0.308 0.000 1.065 838 M CA 1.807 56.909 55.300 -0.329 0.000 1.122 838 M CB -0.465 31.937 32.600 -0.330 0.000 1.365 838 M HN 0.135 nan 8.290 nan 0.000 0.411 839 A N 0.804 123.355 122.820 -0.449 0.000 1.823 839 A HA -0.042 4.276 4.320 -0.003 0.000 0.214 839 A C 1.972 179.476 177.584 -0.134 0.000 1.225 839 A CA 1.613 53.440 52.037 -0.349 0.000 0.604 839 A CB -1.065 17.644 19.000 -0.485 0.000 0.878 839 A HN 0.505 nan 8.150 nan 0.000 0.450 840 I N 0.400 120.903 120.570 -0.113 0.000 2.132 840 I HA -0.362 3.806 4.170 -0.003 0.000 0.238 840 I C 2.679 178.848 176.117 0.086 0.000 1.012 840 I CA 2.148 63.461 61.300 0.021 0.000 1.288 840 I CB -2.247 35.790 38.000 0.062 0.000 0.997 840 I HN 0.399 nan 8.210 nan 0.000 0.402 841 G N 0.587 109.406 108.800 0.032 0.000 2.553 841 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.218 841 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.218 841 G C 1.742 176.653 174.900 0.018 0.000 1.195 841 G CA 1.374 46.482 45.100 0.014 0.000 0.779 841 G HN 0.567 nan 8.290 nan 0.000 0.577 842 G N -0.495 108.304 108.800 -0.003 0.000 2.517 842 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.222 842 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.222 842 G C 1.594 176.518 174.900 0.040 0.000 1.109 842 G CA 1.313 46.418 45.100 0.009 0.000 0.746 842 G HN 0.488 nan 8.290 nan 0.000 0.576 843 Y N 1.182 121.459 120.300 -0.039 0.000 2.130 843 Y HA -0.073 4.475 4.550 -0.003 0.000 0.287 843 Y C 2.887 178.780 175.900 -0.012 0.000 1.124 843 Y CA 1.793 59.878 58.100 -0.024 0.000 1.118 843 Y CB -0.713 37.730 38.460 -0.028 0.000 0.994 843 Y HN 0.105 nan 8.280 nan 0.000 0.497 844 V N 0.126 120.036 119.914 -0.007 0.000 2.380 844 V HA -0.207 3.911 4.120 -0.003 0.000 0.251 844 V C 2.160 178.178 176.094 -0.125 0.000 1.063 844 V CA 2.525 64.777 62.300 -0.080 0.000 1.055 844 V CB -1.591 30.247 31.823 0.025 0.000 0.657 844 V HN 0.495 nan 8.190 nan 0.000 0.455 845 G N -0.947 107.808 108.800 -0.075 0.000 2.470 845 G HA2 -0.011 3.947 3.960 -0.003 0.000 0.220 845 G HA3 -0.011 3.947 3.960 -0.003 0.000 0.220 845 G C 1.612 176.466 174.900 -0.078 0.000 1.121 845 G CA 1.087 46.159 45.100 -0.047 0.000 0.766 845 G HN 0.968 nan 8.290 nan 0.000 0.553 846 A N 0.888 123.617 122.820 -0.152 0.000 1.871 846 A HA 0.563 4.882 4.320 -0.003 0.000 0.211 846 A C 2.778 180.225 177.584 -0.228 0.000 1.207 846 A CA 1.566 53.505 52.037 -0.163 0.000 0.620 846 A CB -0.812 18.083 19.000 -0.175 0.000 0.860 846 A HN 0.627 nan 8.150 nan 0.000 0.450 847 A N 0.375 122.946 122.820 -0.415 0.000 1.859 847 A HA -0.203 4.115 4.320 -0.003 0.000 0.217 847 A C 2.488 179.958 177.584 -0.190 0.000 1.198 847 A CA 3.277 55.085 52.037 -0.382 0.000 0.629 847 A CB -1.739 16.949 19.000 -0.520 0.000 0.830 847 A HN 0.747 nan 8.150 nan 0.000 0.446 848 T N -1.772 112.691 114.554 -0.151 0.000 2.545 848 T HA -0.194 4.154 4.350 -0.003 0.000 0.261 848 T C 1.705 176.364 174.700 -0.068 0.000 1.097 848 T CA 2.044 64.090 62.100 -0.089 0.000 1.189 848 T CB -1.311 67.517 68.868 -0.068 0.000 0.863 848 T HN 0.148 nan 8.240 nan 0.000 0.405 849 V N 2.504 122.379 119.914 -0.065 0.000 2.250 849 V HA -0.146 3.972 4.120 -0.003 0.000 0.250 849 V C 3.142 179.217 176.094 -0.031 0.000 1.060 849 V CA 2.178 64.446 62.300 -0.054 0.000 1.030 849 V CB -1.775 30.021 31.823 -0.046 0.000 0.643 849 V HN 0.785 nan 8.190 nan 0.000 0.445 850 G N -0.523 108.259 108.800 -0.030 0.000 2.529 850 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.219 850 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.219 850 G C 1.779 176.734 174.900 0.091 0.000 1.177 850 G CA 1.532 46.642 45.100 0.017 0.000 0.773 850 G HN 0.679 nan 8.290 nan 0.000 0.573 851 A N 1.214 124.056 122.820 0.037 0.000 1.865 851 A HA 0.152 4.470 4.320 -0.003 0.000 0.217 851 A C 2.893 180.636 177.584 0.265 0.000 1.191 851 A CA 2.854 54.951 52.037 0.101 0.000 0.623 851 A CB -1.079 17.906 19.000 -0.025 0.000 0.826 851 A HN 1.007 nan 8.150 nan 0.000 0.444 852 A N -0.256 122.632 122.820 0.113 0.000 1.865 852 A HA 0.103 4.421 4.320 -0.003 0.000 0.217 852 A C 2.544 180.191 177.584 0.104 0.000 1.191 852 A CA 2.498 54.579 52.037 0.074 0.000 0.623 852 A CB -1.198 17.750 19.000 -0.086 0.000 0.826 852 A HN 1.234 nan 8.150 nan 0.000 0.444 853 A N -1.719 121.112 122.820 0.018 0.000 1.972 853 A HA -0.154 4.164 4.320 -0.003 0.000 0.219 853 A C 1.915 179.659 177.584 0.267 0.000 1.169 853 A CA 1.622 53.664 52.037 0.008 0.000 0.635 853 A CB -0.882 18.115 19.000 -0.004 0.000 0.810 853 A HN 0.916 nan 8.150 nan 0.000 0.446 854 W N -0.608 120.783 121.300 0.152 0.000 2.333 854 W HA -0.231 4.428 4.660 -0.003 0.000 0.316 854 W C 1.984 178.677 176.519 0.291 0.000 1.215 854 W CA 1.901 59.367 57.345 0.201 0.000 1.278 854 W CB -0.833 28.703 29.460 0.126 0.000 1.154 854 W HN 0.465 nan 8.180 nan 0.000 0.486 855 W N 0.324 121.672 121.300 0.080 0.000 2.313 855 W HA -0.293 4.366 4.660 -0.003 0.000 0.293 855 W C 1.990 178.485 176.519 -0.040 0.000 1.216 855 W CA 2.565 59.807 57.345 -0.172 0.000 1.223 855 W CB -0.855 28.690 29.460 0.143 0.000 1.138 855 W HN -0.058 nan 8.180 nan 0.000 0.535 856 F N 0.146 120.126 119.950 0.049 0.000 2.074 856 F HA 0.028 4.553 4.527 -0.003 0.000 0.293 856 F C 1.654 177.311 175.800 -0.237 0.000 1.116 856 F CA 1.546 59.502 58.000 -0.074 0.000 1.212 856 F CB -1.229 37.825 39.000 0.091 0.000 0.998 856 F HN -0.234 nan 8.300 nan 0.000 0.471 857 M N -2.642 116.996 119.600 0.063 0.000 2.227 857 M HA 0.413 4.892 4.480 -0.003 0.000 0.335 857 M C -1.103 175.186 176.300 -0.018 0.000 1.053 857 M CA -0.609 54.654 55.300 -0.061 0.000 0.973 857 M CB 1.871 34.503 32.600 0.053 0.000 1.623 857 M HN 0.300 nan 8.290 nan 0.000 0.434 858 Y N -0.349 119.797 120.300 -0.257 0.000 4.911 858 Y HA -0.148 4.400 4.550 -0.003 0.000 0.278 858 Y C 0.297 175.907 175.900 -0.484 0.000 0.869 858 Y CA 0.694 58.645 58.100 -0.249 0.000 1.736 858 Y CB -1.845 36.571 38.460 -0.074 0.000 1.151 858 Y HN 1.018 nan 8.280 nan 0.000 0.489 859 A N 0.680 123.128 122.820 -0.619 0.000 2.304 859 A HA 0.625 4.943 4.320 -0.003 0.000 0.301 859 A C 0.699 177.971 177.584 -0.520 0.000 1.132 859 A CA -0.361 51.184 52.037 -0.820 0.000 0.819 859 A CB 0.556 18.837 19.000 -1.198 0.000 1.094 859 A HN 0.335 nan 8.150 nan 0.000 0.492 860 E N 0.726 120.709 120.200 -0.361 0.000 2.349 860 E HA 0.094 4.442 4.350 -0.003 0.000 0.201 860 E C -0.831 175.627 176.600 -0.238 0.000 1.087 860 E CA 0.070 56.333 56.400 -0.228 0.000 1.128 860 E CB 0.176 29.821 29.700 -0.092 0.000 1.188 860 E HN 0.565 nan 8.360 nan 0.000 0.445 861 D N -0.001 120.155 120.400 -0.408 0.000 2.881 861 D HA 0.142 4.780 4.640 -0.003 0.000 0.325 861 D C 0.253 176.207 176.300 -0.576 0.000 1.621 861 D CA -0.054 53.751 54.000 -0.325 0.000 0.785 861 D CB 1.293 42.042 40.800 -0.084 0.000 1.233 861 D HN 0.257 nan 8.370 nan 0.000 0.447 862 G N 2.238 110.620 108.800 -0.697 0.000 2.465 862 G HA2 -0.058 3.900 3.960 -0.003 0.000 0.230 862 G HA3 -0.058 3.900 3.960 -0.003 0.000 0.230 862 G C -2.764 171.623 174.900 -0.856 0.000 1.324 862 G CA -0.938 43.677 45.100 -0.808 0.000 0.878 862 G HN -0.033 nan 8.290 nan 0.000 0.497 863 P HA 0.382 nan 4.420 nan 0.000 0.272 863 P C 0.931 177.976 177.300 -0.426 0.000 1.225 863 P CA 1.264 64.083 63.100 -0.470 0.000 0.800 863 P CB 0.715 32.215 31.700 -0.332 0.000 0.894 864 G N -1.475 107.140 108.800 -0.307 0.000 2.687 864 G HA2 0.394 4.352 3.960 -0.003 0.000 0.291 864 G HA3 0.394 4.352 3.960 -0.003 0.000 0.291 864 G C -1.215 173.621 174.900 -0.106 0.000 1.420 864 G CA -0.698 44.282 45.100 -0.200 0.000 0.796 864 G HN 0.321 nan 8.290 nan 0.000 0.485 865 V N 1.905 121.807 119.914 -0.020 0.000 2.450 865 V HA 0.053 4.171 4.120 -0.003 0.000 0.264 865 V C 2.052 178.171 176.094 0.041 0.000 0.996 865 V CA 1.226 63.535 62.300 0.016 0.000 1.138 865 V CB -0.159 31.694 31.823 0.051 0.000 1.051 865 V HN 0.993 nan 8.190 nan 0.000 0.470 866 T N 0.920 115.471 114.554 -0.004 0.000 3.163 866 T HA -0.130 4.218 4.350 -0.003 0.000 0.260 866 T C 1.157 175.942 174.700 0.143 0.000 1.156 866 T CA 0.782 62.862 62.100 -0.034 0.000 1.072 866 T CB -0.345 68.386 68.868 -0.227 0.000 0.937 866 T HN 0.541 nan 8.240 nan 0.000 0.528 867 Y N 0.553 120.854 120.300 0.002 0.000 2.466 867 Y HA 0.240 4.788 4.550 -0.003 0.000 0.272 867 Y C 1.310 177.286 175.900 0.128 0.000 1.169 867 Y CA -0.693 57.428 58.100 0.036 0.000 1.285 867 Y CB -0.317 38.137 38.460 -0.009 0.000 1.078 867 Y HN 0.557 nan 8.280 nan 0.000 0.523 868 H N -2.177 116.943 119.070 0.082 0.000 3.636 868 H HA -0.218 4.336 4.556 -0.003 0.000 0.179 868 H C 1.607 176.915 175.328 -0.033 0.000 0.968 868 H CA 0.972 57.036 56.048 0.026 0.000 1.220 868 H CB -0.970 28.791 29.762 -0.002 0.000 1.023 868 H HN 0.181 nan 8.280 nan 0.000 0.366 869 Q N 0.324 120.153 119.800 0.049 0.000 2.297 869 Q HA -0.105 4.233 4.340 -0.003 0.000 0.208 869 Q C 2.444 178.316 176.000 -0.214 0.000 0.981 869 Q CA 1.387 57.153 55.803 -0.062 0.000 0.876 869 Q CB -0.471 28.282 28.738 0.024 0.000 0.921 869 Q HN 0.681 nan 8.270 nan 0.000 0.446 870 L N 1.057 122.226 121.223 -0.090 0.000 2.211 870 L HA -0.217 4.121 4.340 -0.003 0.000 0.216 870 L C 1.669 178.446 176.870 -0.155 0.000 1.092 870 L CA 2.125 56.967 54.840 0.004 0.000 0.767 870 L CB -1.181 40.953 42.059 0.124 0.000 0.894 870 L HN 0.093 nan 8.230 nan 0.000 0.437 871 T N -0.365 113.950 114.554 -0.398 0.000 2.822 871 T HA -0.192 4.156 4.350 -0.003 0.000 0.270 871 T C 1.009 175.484 174.700 -0.376 0.000 1.064 871 T CA 1.866 63.714 62.100 -0.420 0.000 1.131 871 T CB -0.636 67.908 68.868 -0.540 0.000 0.858 871 T HN 0.622 nan 8.240 nan 0.000 0.483 872 H N 0.401 119.430 119.070 -0.068 0.000 2.488 872 H HA 0.234 4.788 4.556 -0.003 0.000 0.294 872 H C 1.430 176.568 175.328 -0.316 0.000 1.088 872 H CA -0.749 55.190 56.048 -0.182 0.000 1.086 872 H CB -1.016 28.682 29.762 -0.107 0.000 1.569 872 H HN 0.572 nan 8.280 nan 0.000 0.548 873 F N 0.132 119.804 119.950 -0.463 0.000 2.346 873 F HA -0.204 4.321 4.527 -0.003 0.000 0.301 873 F C 1.874 177.326 175.800 -0.580 0.000 1.070 873 F CA 0.644 58.071 58.000 -0.954 0.000 1.407 873 F CB -0.372 37.500 39.000 -1.880 0.000 1.072 873 F HN -0.043 nan 8.300 nan 0.000 0.543 874 M N 0.844 119.677 119.600 -1.279 0.000 2.108 874 M HA -0.156 4.322 4.480 -0.003 0.000 0.261 874 M C 0.850 176.911 176.300 -0.397 0.000 1.066 874 M CA 1.396 56.143 55.300 -0.921 0.000 1.107 874 M CB -1.308 30.805 32.600 -0.811 0.000 1.356 874 M HN 0.342 nan 8.290 nan 0.000 0.406 875 Q N -0.535 119.108 119.800 -0.262 0.000 2.553 875 Q HA 0.107 4.445 4.340 -0.003 0.000 0.221 875 Q C 0.648 176.646 176.000 -0.004 0.000 1.219 875 Q CA -0.473 55.281 55.803 -0.083 0.000 0.955 875 Q CB 0.907 29.642 28.738 -0.006 0.000 1.399 875 Q HN 0.365 nan 8.270 nan 0.000 0.551 876 c N 0.611 119.226 118.600 0.025 0.000 2.857 876 c HA 0.019 4.587 4.570 -0.003 0.000 0.328 876 c C 2.229 176.362 174.090 0.073 0.000 1.957 876 c CA 0.505 56.888 56.329 0.090 0.000 2.134 876 c CB 0.383 43.041 42.510 0.247 0.000 1.814 876 c HN 0.721 nan 8.230 nan 0.000 0.703 877 T N 1.139 115.745 114.554 0.087 0.000 2.977 877 T HA -0.123 4.225 4.350 -0.003 0.000 0.271 877 T C 1.240 175.994 174.700 0.090 0.000 1.105 877 T CA 1.838 64.003 62.100 0.108 0.000 1.116 877 T CB -0.242 68.669 68.868 0.072 0.000 0.878 877 T HN 0.637 nan 8.240 nan 0.000 0.509 878 E N 2.050 122.286 120.200 0.060 0.000 1.993 878 E HA -0.088 4.260 4.350 -0.003 0.000 0.198 878 E C 0.491 177.145 176.600 0.090 0.000 0.999 878 E CA 1.102 57.531 56.400 0.048 0.000 0.850 878 E CB -0.050 29.665 29.700 0.026 0.000 0.796 878 E HN 0.216 nan 8.360 nan 0.000 0.482 879 D N 0.411 120.892 120.400 0.135 0.000 2.767 879 D HA -0.001 4.637 4.640 -0.003 0.000 0.241 879 D C 0.689 177.116 176.300 0.211 0.000 1.187 879 D CA -0.004 54.104 54.000 0.181 0.000 0.999 879 D CB 0.124 41.071 40.800 0.244 0.000 1.042 879 D HN 0.333 nan 8.370 nan 0.000 0.510 880 H N 2.445 121.564 119.070 0.082 0.000 2.289 880 H HA -0.106 4.448 4.556 -0.003 0.000 0.294 880 H C -1.007 174.350 175.328 0.048 0.000 1.095 880 H CA 1.341 57.424 56.048 0.058 0.000 1.256 880 H CB -0.443 29.335 29.762 0.027 0.000 1.359 880 H HN 0.234 nan 8.280 nan 0.000 0.487 881 P HA -0.060 nan 4.420 nan 0.000 0.247 881 P C 0.138 177.461 177.300 0.038 0.000 1.225 881 P CA 0.859 64.033 63.100 0.123 0.000 0.768 881 P CB -1.030 30.709 31.700 0.066 0.000 1.020 882 H N -0.255 118.806 119.070 -0.016 0.000 2.553 882 H HA 0.141 4.695 4.556 -0.003 0.000 0.222 882 H C -0.238 175.205 175.328 0.193 0.000 1.779 882 H CA -0.591 55.457 56.048 -0.001 0.000 1.241 882 H CB -0.915 28.906 29.762 0.099 0.000 1.647 882 H HN -0.135 nan 8.280 nan 0.000 0.523 883 F N -0.309 119.610 119.950 -0.052 0.000 2.619 883 F HA -0.325 4.200 4.527 -0.002 0.000 0.425 883 F C 1.575 177.295 175.800 -0.133 0.000 0.575 883 F CA 0.994 58.927 58.000 -0.113 0.000 1.289 883 F CB -0.982 37.914 39.000 -0.174 0.000 1.859 883 F HN 0.447 nan 8.300 nan 0.000 0.280 884 E N 0.528 120.716 120.200 -0.019 0.000 2.047 884 E HA -0.040 4.308 4.350 -0.003 0.000 0.191 884 E C 2.531 179.031 176.600 -0.165 0.000 0.987 884 E CA 1.354 57.674 56.400 -0.133 0.000 0.799 884 E CB -0.897 28.622 29.700 -0.301 0.000 0.752 884 E HN 0.578 nan 8.360 nan 0.000 0.449 885 G N 1.204 109.931 108.800 -0.121 0.000 2.650 885 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.246 885 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.246 885 G C 0.700 175.611 174.900 0.018 0.000 0.999 885 G CA 1.736 46.834 45.100 -0.003 0.000 0.671 885 G HN 0.238 nan 8.290 nan 0.000 0.579 886 L N -0.898 120.265 121.223 -0.098 0.000 2.267 886 L HA 0.489 4.827 4.340 -0.003 0.000 0.264 886 L C 0.369 177.197 176.870 -0.071 0.000 1.021 886 L CA -1.104 53.695 54.840 -0.068 0.000 0.861 886 L CB 0.547 42.532 42.059 -0.123 0.000 1.443 886 L HN -0.000 nan 8.230 nan 0.000 0.475 887 D N 0.401 120.767 120.400 -0.057 0.000 2.502 887 D HA -0.082 4.556 4.640 -0.003 0.000 0.249 887 D C -0.436 175.795 176.300 -0.116 0.000 1.188 887 D CA 0.162 54.135 54.000 -0.045 0.000 0.890 887 D CB 0.709 41.466 40.800 -0.072 0.000 1.140 887 D HN 0.397 nan 8.370 nan 0.000 0.505 888 c N 4.742 123.324 118.600 -0.029 0.000 3.247 888 c HA 0.151 4.720 4.570 -0.003 0.000 0.573 888 c C 1.445 175.554 174.090 0.031 0.000 1.106 888 c CA -0.196 56.133 56.329 -0.000 0.000 1.209 888 c CB -1.453 41.111 42.510 0.090 0.000 1.460 888 c HN 0.706 nan 8.230 nan 0.000 0.634 889 E N -0.422 119.722 120.200 -0.094 0.000 2.436 889 E HA 0.054 4.402 4.350 -0.003 0.000 0.167 889 E C 1.323 177.862 176.600 -0.101 0.000 0.898 889 E CA -0.133 56.261 56.400 -0.010 0.000 1.354 889 E CB 0.172 29.881 29.700 0.014 0.000 1.442 889 E HN 0.353 nan 8.360 nan 0.000 0.671 890 I N 1.151 121.517 120.570 -0.340 0.000 2.567 890 I HA -0.169 3.999 4.170 -0.003 0.000 0.257 890 I C 1.537 177.509 176.117 -0.242 0.000 1.184 890 I CA 1.203 62.301 61.300 -0.337 0.000 1.451 890 I CB -1.061 36.614 38.000 -0.542 0.000 1.089 890 I HN 0.195 nan 8.210 nan 0.000 0.441 891 F N 1.372 121.365 119.950 0.072 0.000 2.171 891 F HA -0.149 4.376 4.527 -0.003 0.000 0.300 891 F C 2.281 178.203 175.800 0.204 0.000 1.090 891 F CA 0.875 59.029 58.000 0.256 0.000 1.293 891 F CB -0.967 38.144 39.000 0.185 0.000 1.013 891 F HN 0.177 nan 8.300 nan 0.000 0.486 892 E N 0.552 120.911 120.200 0.265 0.000 2.485 892 E HA 0.176 4.525 4.350 -0.003 0.000 0.194 892 E C 0.677 177.318 176.600 0.068 0.000 1.098 892 E CA -0.158 56.333 56.400 0.152 0.000 0.878 892 E CB -0.168 29.605 29.700 0.121 0.000 0.939 892 E HN 0.237 nan 8.360 nan 0.000 0.503 893 A N 2.414 125.275 122.820 0.068 0.000 2.520 893 A HA 0.042 4.360 4.320 -0.003 0.000 0.235 893 A C -1.255 176.229 177.584 -0.167 0.000 1.065 893 A CA -0.861 51.129 52.037 -0.077 0.000 0.764 893 A CB 0.185 19.081 19.000 -0.173 0.000 1.002 893 A HN 0.034 nan 8.150 nan 0.000 0.502 894 P HA -0.067 nan 4.420 nan 0.000 0.217 894 P C 0.861 177.961 177.300 -0.335 0.000 1.153 894 P CA 0.975 63.952 63.100 -0.204 0.000 0.843 894 P CB 0.115 31.736 31.700 -0.132 0.000 0.794 895 E N 1.606 121.485 120.200 -0.534 0.000 2.085 895 E HA -0.134 4.215 4.350 -0.003 0.000 0.194 895 E C -0.575 175.553 176.600 -0.787 0.000 0.994 895 E CA 1.439 57.434 56.400 -0.674 0.000 0.801 895 E CB -2.696 26.548 29.700 -0.760 0.000 0.743 895 E HN 0.379 nan 8.360 nan 0.000 0.453 896 P HA -0.126 nan 4.420 nan 0.000 0.218 896 P C 1.794 178.966 177.300 -0.213 0.000 1.148 896 P CA 1.405 64.251 63.100 -0.423 0.000 0.822 896 P CB -0.180 31.483 31.700 -0.062 0.000 0.784 897 M N -0.496 118.970 119.600 -0.223 0.000 2.156 897 M HA -0.066 4.413 4.480 -0.003 0.000 0.264 897 M C 2.447 178.678 176.300 -0.116 0.000 1.067 897 M CA 2.273 57.494 55.300 -0.132 0.000 1.131 897 M CB -1.356 31.189 32.600 -0.093 0.000 1.368 897 M HN 0.000 nan 8.290 nan 0.000 0.416 898 T N -0.251 114.206 114.554 -0.162 0.000 3.025 898 T HA -0.102 4.246 4.350 -0.003 0.000 0.270 898 T C 1.623 176.213 174.700 -0.182 0.000 1.126 898 T CA 0.810 62.816 62.100 -0.157 0.000 1.105 898 T CB 0.071 68.810 68.868 -0.215 0.000 0.884 898 T HN 0.123 nan 8.240 nan 0.000 0.522 899 M N 1.262 120.770 119.600 -0.153 0.000 2.100 899 M HA 0.315 4.793 4.480 -0.003 0.000 0.254 899 M C 2.979 179.221 176.300 -0.097 0.000 1.106 899 M CA 1.605 56.839 55.300 -0.109 0.000 1.127 899 M CB -1.701 30.930 32.600 0.052 0.000 1.263 899 M HN 0.418 nan 8.290 nan 0.000 0.427 900 A N 0.194 122.979 122.820 -0.057 0.000 2.104 900 A HA -0.220 4.098 4.320 -0.003 0.000 0.223 900 A C 2.220 179.769 177.584 -0.059 0.000 1.164 900 A CA 1.818 53.821 52.037 -0.056 0.000 0.659 900 A CB -1.046 17.922 19.000 -0.054 0.000 0.808 900 A HN 0.567 nan 8.150 nan 0.000 0.465 901 L N -1.654 119.532 121.223 -0.062 0.000 2.221 901 L HA 0.022 4.360 4.340 -0.003 0.000 0.202 901 L C 2.458 179.277 176.870 -0.085 0.000 1.074 901 L CA 1.408 56.217 54.840 -0.051 0.000 0.795 901 L CB -0.090 41.961 42.059 -0.014 0.000 0.960 901 L HN 0.243 nan 8.230 nan 0.000 0.458 902 S N -0.730 114.916 115.700 -0.089 0.000 2.419 902 S HA -0.175 4.293 4.470 -0.003 0.000 0.233 902 S C 1.827 176.406 174.600 -0.035 0.000 1.016 902 S CA 1.294 59.457 58.200 -0.061 0.000 0.974 902 S CB -0.185 62.867 63.200 -0.246 0.000 0.786 902 S HN 0.413 nan 8.310 nan 0.000 0.492 903 V N 1.458 121.332 119.914 -0.067 0.000 2.515 903 V HA -0.087 4.031 4.120 -0.003 0.000 0.250 903 V C 1.927 178.025 176.094 0.008 0.000 1.058 903 V CA 1.317 63.603 62.300 -0.024 0.000 1.064 903 V CB -0.255 31.533 31.823 -0.059 0.000 0.675 903 V HN 0.406 nan 8.190 nan 0.000 0.461 904 L N -0.411 120.801 121.223 -0.019 0.000 1.982 904 L HA -0.031 4.307 4.340 -0.003 0.000 0.206 904 L C 2.420 179.295 176.870 0.008 0.000 1.078 904 L CA 2.351 57.186 54.840 -0.008 0.000 0.749 904 L CB -0.821 41.221 42.059 -0.027 0.000 0.894 904 L HN 0.161 nan 8.230 nan 0.000 0.436 905 V N 0.255 120.147 119.914 -0.037 0.000 2.223 905 V HA -0.477 3.641 4.120 -0.003 0.000 0.253 905 V C 2.727 178.863 176.094 0.071 0.000 1.061 905 V CA 3.072 65.353 62.300 -0.032 0.000 1.035 905 V CB -1.735 29.971 31.823 -0.194 0.000 0.653 905 V HN 0.823 nan 8.190 nan 0.000 0.454 906 T N -1.140 113.492 114.554 0.129 0.000 2.665 906 T HA -0.243 4.106 4.350 -0.003 0.000 0.268 906 T C 1.794 176.576 174.700 0.137 0.000 1.035 906 T CA 2.147 64.352 62.100 0.175 0.000 1.151 906 T CB -0.716 68.296 68.868 0.240 0.000 0.862 906 T HN 0.400 nan 8.240 nan 0.000 0.438 907 I N 1.040 121.683 120.570 0.121 0.000 2.423 907 I HA -0.148 4.021 4.170 -0.003 0.000 0.254 907 I C 2.812 179.008 176.117 0.132 0.000 1.151 907 I CA 1.347 62.724 61.300 0.129 0.000 1.421 907 I CB -0.297 37.781 38.000 0.130 0.000 1.079 907 I HN 0.292 nan 8.210 nan 0.000 0.431 908 E N 0.108 120.385 120.200 0.127 0.000 2.075 908 E HA -0.062 4.286 4.350 -0.003 0.000 0.190 908 E C 2.136 178.861 176.600 0.208 0.000 0.969 908 E CA 0.804 57.315 56.400 0.185 0.000 0.815 908 E CB -0.195 29.580 29.700 0.125 0.000 0.776 908 E HN 0.302 nan 8.360 nan 0.000 0.457 909 M N 0.207 119.897 119.600 0.151 0.000 2.530 909 M HA -0.133 4.345 4.480 -0.003 0.000 0.261 909 M C 2.199 178.545 176.300 0.077 0.000 1.067 909 M CA 0.691 56.061 55.300 0.116 0.000 1.071 909 M CB -1.385 31.286 32.600 0.118 0.000 1.405 909 M HN 0.145 nan 8.290 nan 0.000 0.478 910 C N -0.029 119.326 119.300 0.092 0.000 2.611 910 C HA 0.005 4.463 4.460 -0.003 0.000 0.283 910 C C 2.582 177.600 174.990 0.047 0.000 1.340 910 C CA 0.633 59.690 59.018 0.064 0.000 1.716 910 C CB -0.882 26.906 27.740 0.079 0.000 2.134 910 C HN 0.561 nan 8.230 nan 0.000 0.526 911 N N 1.032 119.793 118.700 0.101 0.000 2.348 911 N HA -0.087 4.652 4.740 -0.003 0.000 0.185 911 N C 1.514 177.032 175.510 0.015 0.000 1.019 911 N CA 1.480 54.604 53.050 0.124 0.000 0.880 911 N CB -0.102 38.523 38.487 0.230 0.000 0.965 911 N HN 0.510 nan 8.380 nan 0.000 0.437 912 A N 0.515 123.266 122.820 -0.115 0.000 1.851 912 A HA -0.134 4.185 4.320 -0.003 0.000 0.216 912 A C 2.167 179.538 177.584 -0.354 0.000 1.195 912 A CA 1.391 53.044 52.037 -0.639 0.000 0.622 912 A CB -0.941 17.802 19.000 -0.428 0.000 0.831 912 A HN 0.354 nan 8.150 nan 0.000 0.444 913 L N -0.075 121.048 121.223 -0.166 0.000 2.127 913 L HA -0.195 4.143 4.340 -0.003 0.000 0.211 913 L C 1.752 178.568 176.870 -0.091 0.000 1.089 913 L CA 1.183 55.956 54.840 -0.112 0.000 0.757 913 L CB -0.800 41.220 42.059 -0.065 0.000 0.899 913 L HN 0.379 nan 8.230 nan 0.000 0.434 914 N N -0.469 118.197 118.700 -0.057 0.000 2.609 914 N HA -0.084 4.654 4.740 -0.003 0.000 0.190 914 N C 1.521 177.024 175.510 -0.012 0.000 1.157 914 N CA 0.801 53.838 53.050 -0.022 0.000 0.918 914 N CB 0.138 38.633 38.487 0.015 0.000 0.978 914 N HN 0.262 nan 8.380 nan 0.000 0.448 915 S N 0.192 115.859 115.700 -0.055 0.000 2.524 915 S HA 0.258 4.726 4.470 -0.003 0.000 0.215 915 S C 1.776 176.336 174.600 -0.067 0.000 0.986 915 S CA -0.393 57.783 58.200 -0.040 0.000 0.911 915 S CB 0.506 63.661 63.200 -0.076 0.000 0.805 915 S HN 0.198 nan 8.310 nan 0.000 0.501 916 L N 1.200 122.370 121.223 -0.087 0.000 2.351 916 L HA -0.005 4.333 4.340 -0.003 0.000 0.220 916 L C 0.907 177.741 176.870 -0.060 0.000 1.127 916 L CA 0.681 55.473 54.840 -0.080 0.000 0.786 916 L CB 0.014 42.017 42.059 -0.094 0.000 0.914 916 L HN 0.189 nan 8.230 nan 0.000 0.443 917 S N -2.127 113.545 115.700 -0.046 0.000 2.537 917 S HA 0.128 4.597 4.470 -0.003 0.000 0.271 917 S C 0.373 174.968 174.600 -0.008 0.000 1.148 917 S CA -0.773 57.409 58.200 -0.031 0.000 0.868 917 S CB 1.648 64.827 63.200 -0.035 0.000 1.115 917 S HN 0.193 nan 8.310 nan 0.000 0.461 918 E N 1.781 121.982 120.200 0.002 0.000 2.158 918 E HA 0.041 4.389 4.350 -0.003 0.000 0.191 918 E C 0.158 176.776 176.600 0.029 0.000 0.982 918 E CA 0.950 57.364 56.400 0.023 0.000 0.823 918 E CB 0.084 29.800 29.700 0.027 0.000 0.766 918 E HN 0.592 nan 8.360 nan 0.000 0.468 919 N N -0.148 118.565 118.700 0.021 0.000 2.167 919 N HA 0.066 4.804 4.740 -0.003 0.000 0.234 919 N C -1.312 174.207 175.510 0.014 0.000 1.312 919 N CA -0.097 52.970 53.050 0.028 0.000 0.861 919 N CB 1.165 39.670 38.487 0.030 0.000 1.217 919 N HN -0.059 nan 8.380 nan 0.000 0.504 920 Q N 0.402 120.203 119.800 0.001 0.000 2.307 920 Q HA 0.308 4.646 4.340 -0.003 0.000 0.262 920 Q C 0.025 176.019 176.000 -0.010 0.000 0.961 920 Q CA -0.305 55.493 55.803 -0.008 0.000 0.882 920 Q CB 1.762 30.485 28.738 -0.025 0.000 1.264 920 Q HN 0.125 nan 8.270 nan 0.000 0.446 921 S N 2.165 117.868 115.700 0.006 0.000 2.569 921 S HA 0.078 4.546 4.470 -0.003 0.000 0.274 921 S C 1.304 175.878 174.600 -0.043 0.000 1.353 921 S CA -0.297 57.906 58.200 0.004 0.000 1.023 921 S CB 0.387 63.607 63.200 0.034 0.000 0.876 921 S HN 0.691 nan 8.310 nan 0.000 0.540 922 L N 3.484 124.671 121.223 -0.061 0.000 2.291 922 L HA -0.095 4.243 4.340 -0.003 0.000 0.214 922 L C 2.445 179.224 176.870 -0.152 0.000 1.120 922 L CA 1.236 56.002 54.840 -0.124 0.000 0.799 922 L CB -0.485 41.502 42.059 -0.120 0.000 0.925 922 L HN 0.851 nan 8.230 nan 0.000 0.446 923 M N -1.661 117.891 119.600 -0.080 0.000 2.460 923 M HA -0.152 4.326 4.480 -0.003 0.000 0.263 923 M C 2.126 178.390 176.300 -0.059 0.000 1.071 923 M CA 1.526 56.792 55.300 -0.056 0.000 1.096 923 M CB -0.351 32.245 32.600 -0.007 0.000 1.408 923 M HN 0.080 nan 8.290 nan 0.000 0.463 924 R N 0.660 121.120 120.500 -0.067 0.000 2.102 924 R HA 0.307 4.645 4.340 -0.003 0.000 0.208 924 R C 0.575 176.812 176.300 -0.105 0.000 1.131 924 R CA 0.316 56.383 56.100 -0.056 0.000 1.054 924 R CB 0.483 30.766 30.300 -0.029 0.000 0.954 924 R HN 0.343 nan 8.270 nan 0.000 0.465 925 M N 3.984 123.503 119.600 -0.135 0.000 2.901 925 M HA 0.312 4.790 4.480 -0.003 0.000 0.294 925 M C -2.362 173.755 176.300 -0.304 0.000 1.255 925 M CA -2.044 53.148 55.300 -0.181 0.000 1.274 925 M CB 1.696 34.222 32.600 -0.122 0.000 1.173 925 M HN -0.010 nan 8.290 nan 0.000 0.525 926 P HA 0.034 nan 4.420 nan 0.000 0.266 926 P C -2.205 174.625 177.300 -0.783 0.000 1.193 926 P CA -0.553 61.982 63.100 -0.942 0.000 0.770 926 P CB -0.051 30.507 31.700 -1.903 0.000 0.836 927 P HA -0.143 nan 4.420 nan 0.000 0.219 927 P C 1.068 178.285 177.300 -0.139 0.000 1.146 927 P CA 1.683 64.632 63.100 -0.251 0.000 0.808 927 P CB -0.512 31.131 31.700 -0.096 0.000 0.779 928 W N -0.625 120.655 121.300 -0.032 0.000 3.077 928 W HA 0.183 4.841 4.660 -0.003 0.000 0.245 928 W C 1.226 177.711 176.519 -0.057 0.000 1.316 928 W CA -0.204 57.111 57.345 -0.051 0.000 1.537 928 W CB -1.873 27.556 29.460 -0.052 0.000 1.131 928 W HN -0.327 nan 8.180 nan 0.000 0.695 929 V N 1.747 121.572 119.914 -0.148 0.000 2.720 929 V HA -0.215 3.903 4.120 -0.003 0.000 0.256 929 V C 0.775 176.859 176.094 -0.017 0.000 1.082 929 V CA 1.885 64.139 62.300 -0.076 0.000 1.101 929 V CB -1.001 30.735 31.823 -0.145 0.000 0.693 929 V HN 0.406 nan 8.190 nan 0.000 0.479 930 N N -0.468 118.222 118.700 -0.016 0.000 2.549 930 N HA 0.281 5.019 4.740 -0.003 0.000 0.281 930 N C 0.320 175.805 175.510 -0.041 0.000 1.084 930 N CA -0.330 52.717 53.050 -0.005 0.000 0.862 930 N CB 1.616 40.136 38.487 0.055 0.000 1.333 930 N HN 0.097 nan 8.380 nan 0.000 0.523 931 I N 1.808 122.253 120.570 -0.209 0.000 2.439 931 I HA -0.137 4.031 4.170 -0.003 0.000 0.251 931 I C 1.274 177.288 176.117 -0.171 0.000 1.139 931 I CA 0.861 62.002 61.300 -0.264 0.000 1.438 931 I CB 0.041 37.752 38.000 -0.481 0.000 1.085 931 I HN 0.548 nan 8.210 nan 0.000 0.427 932 W N 0.518 121.886 121.300 0.113 0.000 2.338 932 W HA -0.254 4.404 4.660 -0.003 0.000 0.304 932 W C 2.440 179.025 176.519 0.110 0.000 1.212 932 W CA -0.080 57.349 57.345 0.141 0.000 1.264 932 W CB -0.472 29.159 29.460 0.286 0.000 1.142 932 W HN 0.113 nan 8.180 nan 0.000 0.512 933 L N 0.596 121.991 121.223 0.287 0.000 2.043 933 L HA -0.222 4.116 4.340 -0.003 0.000 0.212 933 L C 2.078 179.017 176.870 0.114 0.000 1.075 933 L CA 1.936 56.864 54.840 0.147 0.000 0.752 933 L CB -0.948 41.147 42.059 0.061 0.000 0.891 933 L HN 0.049 nan 8.230 nan 0.000 0.432 934 L N -1.364 119.920 121.223 0.102 0.000 2.068 934 L HA -0.016 4.323 4.340 -0.003 0.000 0.204 934 L C 2.571 179.508 176.870 0.112 0.000 1.076 934 L CA 1.037 55.929 54.840 0.087 0.000 0.753 934 L CB -1.477 40.627 42.059 0.075 0.000 0.910 934 L HN 0.422 nan 8.230 nan 0.000 0.439 935 G N 0.274 109.165 108.800 0.151 0.000 2.469 935 G HA2 -0.330 3.629 3.960 -0.003 0.000 0.220 935 G HA3 -0.330 3.629 3.960 -0.003 0.000 0.220 935 G C 1.814 176.833 174.900 0.198 0.000 1.136 935 G CA 1.319 46.541 45.100 0.203 0.000 0.759 935 G HN 0.517 nan 8.290 nan 0.000 0.562 936 S N 0.564 116.387 115.700 0.204 0.000 2.362 936 S HA 0.036 4.504 4.470 -0.003 0.000 0.221 936 S C 2.317 176.984 174.600 0.111 0.000 1.032 936 S CA 0.799 59.088 58.200 0.148 0.000 0.973 936 S CB -0.448 62.834 63.200 0.137 0.000 0.849 936 S HN 0.306 nan 8.310 nan 0.000 0.465 937 I N 1.783 122.414 120.570 0.102 0.000 2.181 937 I HA -0.311 3.857 4.170 -0.003 0.000 0.247 937 I C 2.588 178.764 176.117 0.099 0.000 1.081 937 I CA 1.397 62.753 61.300 0.093 0.000 1.340 937 I CB -0.832 37.215 38.000 0.079 0.000 1.036 937 I HN 0.439 nan 8.210 nan 0.000 0.417 938 C N -0.005 119.349 119.300 0.089 0.000 2.446 938 C HA -0.129 4.329 4.460 -0.003 0.000 0.277 938 C C 2.712 177.755 174.990 0.089 0.000 1.275 938 C CA 0.353 59.415 59.018 0.074 0.000 1.727 938 C CB -0.965 26.808 27.740 0.056 0.000 2.010 938 C HN 0.540 nan 8.230 nan 0.000 0.486 939 L N 1.361 122.643 121.223 0.097 0.000 2.131 939 L HA -0.087 4.252 4.340 -0.003 0.000 0.210 939 L C 2.376 179.321 176.870 0.126 0.000 1.092 939 L CA 1.984 56.885 54.840 0.101 0.000 0.759 939 L CB -0.835 41.277 42.059 0.089 0.000 0.903 939 L HN 0.228 nan 8.230 nan 0.000 0.435 940 S N -0.971 114.804 115.700 0.125 0.000 2.371 940 S HA -0.081 4.387 4.470 -0.003 0.000 0.224 940 S C 1.886 176.635 174.600 0.248 0.000 1.029 940 S CA 1.284 59.574 58.200 0.149 0.000 0.978 940 S CB -0.215 63.045 63.200 0.101 0.000 0.833 940 S HN 0.344 nan 8.310 nan 0.000 0.466 941 M N 2.294 122.037 119.600 0.237 0.000 2.084 941 M HA -0.100 4.378 4.480 -0.003 0.000 0.259 941 M C 2.591 179.125 176.300 0.389 0.000 1.072 941 M CA 1.972 57.475 55.300 0.339 0.000 1.107 941 M CB -2.072 30.656 32.600 0.214 0.000 1.299 941 M HN 0.480 nan 8.290 nan 0.000 0.413 942 S N 0.403 116.230 115.700 0.212 0.000 2.380 942 S HA -0.197 4.271 4.470 -0.003 0.000 0.229 942 S C 2.138 176.917 174.600 0.299 0.000 1.043 942 S CA 1.521 59.833 58.200 0.187 0.000 1.038 942 S CB -1.182 62.075 63.200 0.095 0.000 0.872 942 S HN 0.504 nan 8.310 nan 0.000 0.456 943 L N 0.923 122.333 121.223 0.312 0.000 2.017 943 L HA -0.177 4.161 4.340 -0.003 0.000 0.208 943 L C 2.941 180.063 176.870 0.421 0.000 1.073 943 L CA 2.168 57.234 54.840 0.377 0.000 0.745 943 L CB -0.861 41.472 42.059 0.456 0.000 0.894 943 L HN 0.568 nan 8.230 nan 0.000 0.432 944 H N -0.278 119.009 119.070 0.362 0.000 2.289 944 H HA -0.266 4.288 4.556 -0.003 0.000 0.296 944 H C 2.247 177.663 175.328 0.145 0.000 1.091 944 H CA 2.112 58.320 56.048 0.267 0.000 1.274 944 H CB -0.127 29.823 29.762 0.313 0.000 1.364 944 H HN 0.227 nan 8.280 nan 0.000 0.490 945 F N 0.135 120.119 119.950 0.056 0.000 2.408 945 F HA -0.152 4.374 4.527 -0.003 0.000 0.300 945 F C 2.365 178.219 175.800 0.091 0.000 1.090 945 F CA 0.354 58.377 58.000 0.037 0.000 1.427 945 F CB 0.006 39.124 39.000 0.196 0.000 1.070 945 F HN 0.214 nan 8.300 nan 0.000 0.549 946 L N 0.774 122.121 121.223 0.206 0.000 2.179 946 L HA -0.072 4.266 4.340 -0.003 0.000 0.208 946 L C 2.107 178.931 176.870 -0.077 0.000 1.096 946 L CA 1.438 56.342 54.840 0.107 0.000 0.779 946 L CB -0.641 41.482 42.059 0.106 0.000 0.922 946 L HN 0.272 nan 8.230 nan 0.000 0.443 947 I N -3.983 116.442 120.570 -0.241 0.000 2.761 947 I HA -0.144 4.024 4.170 -0.003 0.000 0.261 947 I C 1.790 177.679 176.117 -0.380 0.000 1.198 947 I CA 1.046 62.066 61.300 -0.467 0.000 1.482 947 I CB -0.370 37.116 38.000 -0.857 0.000 1.100 947 I HN 0.185 nan 8.210 nan 0.000 0.445 948 L N -0.431 120.573 121.223 -0.364 0.000 2.168 948 L HA -0.004 4.334 4.340 -0.003 0.000 0.203 948 L C 2.352 178.963 176.870 -0.431 0.000 1.078 948 L CA 0.973 55.536 54.840 -0.461 0.000 0.780 948 L CB -0.562 41.075 42.059 -0.704 0.000 0.939 948 L HN 0.150 nan 8.230 nan 0.000 0.451 949 Y N -0.223 120.044 120.300 -0.055 0.000 2.420 949 Y HA 0.035 4.584 4.550 -0.003 0.000 0.292 949 Y C 1.457 177.352 175.900 -0.008 0.000 1.119 949 Y CA -0.282 57.817 58.100 -0.002 0.000 1.229 949 Y CB -0.355 38.135 38.460 0.051 0.000 1.026 949 Y HN -0.189 nan 8.280 nan 0.000 0.554 950 V N 0.998 120.965 119.914 0.087 0.000 3.566 950 V HA -0.134 3.984 4.120 -0.003 0.000 0.301 950 V C 1.046 177.154 176.094 0.024 0.000 1.105 950 V CA 0.527 62.857 62.300 0.049 0.000 1.142 950 V CB 0.736 32.563 31.823 0.006 0.000 1.107 950 V HN 0.274 nan 8.190 nan 0.000 0.481 951 D N 0.943 121.358 120.400 0.025 0.000 2.338 951 D HA 0.076 4.714 4.640 -0.003 0.000 0.224 951 D C -0.695 175.615 176.300 0.016 0.000 0.967 951 D CA 0.799 54.810 54.000 0.019 0.000 0.896 951 D CB -0.690 40.125 40.800 0.025 0.000 1.028 951 D HN 0.430 nan 8.370 nan 0.000 0.493 952 P HA -0.048 nan 4.420 nan 0.000 0.214 952 P C 1.893 179.221 177.300 0.047 0.000 1.162 952 P CA 0.739 63.856 63.100 0.029 0.000 0.879 952 P CB 0.043 31.760 31.700 0.029 0.000 0.786 953 L N -0.693 120.547 121.223 0.028 0.000 1.997 953 L HA -0.180 4.159 4.340 -0.003 0.000 0.216 953 L C -0.306 176.638 176.870 0.123 0.000 1.074 953 L CA 2.348 57.211 54.840 0.038 0.000 0.763 953 L CB -2.482 39.487 42.059 -0.149 0.000 0.890 953 L HN 0.063 nan 8.230 nan 0.000 0.434 954 P HA -0.248 nan 4.420 nan 0.000 0.216 954 P C 1.846 179.216 177.300 0.117 0.000 1.153 954 P CA 1.637 64.753 63.100 0.026 0.000 0.858 954 P CB -0.080 31.590 31.700 -0.050 0.000 0.789 955 M N -0.979 118.668 119.600 0.079 0.000 2.106 955 M HA -0.185 4.293 4.480 -0.003 0.000 0.259 955 M C 1.780 178.103 176.300 0.038 0.000 1.068 955 M CA 2.011 57.339 55.300 0.047 0.000 1.100 955 M CB -0.586 32.030 32.600 0.026 0.000 1.351 955 M HN -0.148 nan 8.290 nan 0.000 0.404 956 I N -0.652 119.956 120.570 0.063 0.000 2.567 956 I HA -0.216 3.952 4.170 -0.003 0.000 0.257 956 I C 0.802 176.706 176.117 -0.355 0.000 1.184 956 I CA 0.919 62.128 61.300 -0.151 0.000 1.451 956 I CB -0.269 37.578 38.000 -0.255 0.000 1.089 956 I HN 0.214 nan 8.210 nan 0.000 0.441 957 F N 0.348 120.262 119.950 -0.061 0.000 3.103 957 F HA 0.347 4.872 4.527 -0.003 0.000 0.165 957 F C 0.755 176.506 175.800 -0.082 0.000 1.556 957 F CA -0.903 57.056 58.000 -0.069 0.000 0.907 957 F CB -0.103 38.840 39.000 -0.094 0.000 1.988 957 F HN -0.350 nan 8.300 nan 0.000 0.364 958 K N 0.677 121.178 120.400 0.169 0.000 2.245 958 K HA 0.629 4.947 4.320 -0.003 0.000 0.234 958 K C -1.248 175.311 176.600 -0.069 0.000 1.021 958 K CA -0.671 55.613 56.287 -0.006 0.000 0.898 958 K CB 1.913 34.384 32.500 -0.048 0.000 1.163 958 K HN 0.317 nan 8.250 nan 0.000 0.459 959 L N 0.961 122.110 121.223 -0.123 0.000 2.454 959 L HA 0.277 4.615 4.340 -0.003 0.000 0.256 959 L C -0.027 176.727 176.870 -0.195 0.000 1.136 959 L CA -0.077 54.680 54.840 -0.138 0.000 0.804 959 L CB 0.626 42.619 42.059 -0.111 0.000 1.181 959 L HN 0.593 nan 8.230 nan 0.000 0.469 960 K N 1.037 121.315 120.400 -0.204 0.000 2.285 960 K HA 0.391 4.709 4.320 -0.003 0.000 0.255 960 K C -0.479 176.013 176.600 -0.180 0.000 1.000 960 K CA 0.097 56.225 56.287 -0.266 0.000 0.887 960 K CB 0.067 32.417 32.500 -0.250 0.000 0.997 960 K HN 0.718 nan 8.250 nan 0.000 0.510 961 A N 1.005 123.727 122.820 -0.163 0.000 2.282 961 A HA 0.416 4.734 4.320 -0.003 0.000 0.319 961 A C -0.946 176.699 177.584 0.102 0.000 1.121 961 A CA -0.617 51.354 52.037 -0.110 0.000 0.836 961 A CB 0.642 19.406 19.000 -0.394 0.000 1.146 961 A HN 0.497 nan 8.150 nan 0.000 0.494 962 L N 2.501 123.805 121.223 0.134 0.000 2.407 962 L HA 0.284 4.623 4.340 -0.003 0.000 0.261 962 L C -0.358 176.688 176.870 0.294 0.000 1.108 962 L CA -0.679 54.284 54.840 0.205 0.000 0.995 962 L CB -0.116 42.051 42.059 0.180 0.000 1.349 962 L HN 0.720 nan 8.230 nan 0.000 0.423 963 D N 3.699 124.354 120.400 0.425 0.000 2.571 963 D HA -0.054 4.584 4.640 -0.003 0.000 0.231 963 D C 1.040 177.525 176.300 0.309 0.000 1.133 963 D CA 0.210 54.505 54.000 0.492 0.000 0.862 963 D CB 0.709 41.737 40.800 0.380 0.000 1.179 963 D HN 0.625 nan 8.370 nan 0.000 0.474 964 L N 0.025 121.432 121.223 0.307 0.000 4.610 964 L HA -0.321 4.018 4.340 -0.003 0.000 0.397 964 L C 1.435 178.420 176.870 0.191 0.000 0.806 964 L CA 1.574 56.540 54.840 0.210 0.000 2.169 964 L CB -1.943 40.209 42.059 0.155 0.000 1.402 964 L HN 0.759 nan 8.230 nan 0.000 0.603 965 T N -6.417 108.268 114.554 0.217 0.000 2.980 965 T HA 0.189 4.537 4.350 -0.003 0.000 0.252 965 T C 1.227 176.091 174.700 0.273 0.000 0.962 965 T CA 0.357 62.587 62.100 0.216 0.000 0.932 965 T CB 0.599 69.582 68.868 0.192 0.000 1.188 965 T HN 0.357 nan 8.240 nan 0.000 0.500 966 Q N -0.884 119.068 119.800 0.255 0.000 2.532 966 Q HA 0.272 4.610 4.340 -0.003 0.000 0.247 966 Q C 1.580 177.626 176.000 0.077 0.000 0.872 966 Q CA -0.103 55.833 55.803 0.221 0.000 0.963 966 Q CB 0.206 29.059 28.738 0.192 0.000 1.159 966 Q HN 0.454 nan 8.270 nan 0.000 0.598 967 W N 1.670 123.040 121.300 0.116 0.000 2.355 967 W HA -0.093 4.565 4.660 -0.003 0.000 0.309 967 W C 1.830 178.386 176.519 0.061 0.000 1.206 967 W CA 0.975 58.378 57.345 0.097 0.000 1.284 967 W CB 0.019 29.561 29.460 0.137 0.000 1.145 967 W HN 0.070 nan 8.180 nan 0.000 0.502 968 L N -0.398 121.011 121.223 0.311 0.000 2.187 968 L HA -0.265 4.073 4.340 -0.003 0.000 0.213 968 L C 2.358 179.267 176.870 0.065 0.000 1.100 968 L CA 0.929 55.880 54.840 0.184 0.000 0.765 968 L CB -0.726 41.417 42.059 0.141 0.000 0.904 968 L HN 0.100 nan 8.230 nan 0.000 0.437 969 M N -0.165 119.418 119.600 -0.030 0.000 2.086 969 M HA -0.153 4.325 4.480 -0.003 0.000 0.261 969 M C 2.156 178.325 176.300 -0.217 0.000 1.067 969 M CA 1.839 56.977 55.300 -0.271 0.000 1.116 969 M CB -0.431 31.789 32.600 -0.633 0.000 1.348 969 M HN -0.054 nan 8.290 nan 0.000 0.407 970 V N 0.496 120.332 119.914 -0.130 0.000 2.278 970 V HA -0.337 3.782 4.120 -0.003 0.000 0.251 970 V C 2.469 178.592 176.094 0.048 0.000 1.062 970 V CA 2.263 64.523 62.300 -0.066 0.000 1.038 970 V CB -0.996 30.786 31.823 -0.068 0.000 0.646 970 V HN 0.569 nan 8.190 nan 0.000 0.447 971 L N 0.280 121.584 121.223 0.136 0.000 2.056 971 L HA -0.179 4.159 4.340 -0.003 0.000 0.207 971 L C 2.483 179.396 176.870 0.073 0.000 1.078 971 L CA 1.912 56.835 54.840 0.138 0.000 0.749 971 L CB -0.775 41.383 42.059 0.165 0.000 0.901 971 L HN 0.454 nan 8.230 nan 0.000 0.433 972 K N 0.074 120.491 120.400 0.029 0.000 2.574 972 K HA -0.034 4.284 4.320 -0.003 0.000 0.193 972 K C 1.511 178.115 176.600 0.006 0.000 1.035 972 K CA 1.026 57.318 56.287 0.008 0.000 0.982 972 K CB -0.061 32.425 32.500 -0.022 0.000 0.795 972 K HN 0.383 nan 8.250 nan 0.000 0.491 973 I N 0.847 121.421 120.570 0.007 0.000 3.194 973 I HA -0.137 4.032 4.170 -0.003 0.000 0.271 973 I C 2.204 178.412 176.117 0.152 0.000 1.150 973 I CA 0.488 61.805 61.300 0.029 0.000 1.440 973 I CB 0.043 38.002 38.000 -0.070 0.000 1.276 973 I HN 0.249 nan 8.210 nan 0.000 0.457 974 S N 2.068 117.845 115.700 0.128 0.000 2.317 974 S HA -0.053 4.415 4.470 -0.003 0.000 0.212 974 S C 2.045 176.733 174.600 0.147 0.000 1.030 974 S CA 0.559 58.864 58.200 0.175 0.000 0.970 974 S CB -1.141 62.144 63.200 0.142 0.000 0.928 974 S HN 0.277 nan 8.310 nan 0.000 0.451 975 L N 2.078 123.364 121.223 0.105 0.000 2.113 975 L HA -0.152 4.186 4.340 -0.003 0.000 0.221 975 L C -0.690 176.195 176.870 0.025 0.000 1.084 975 L CA 1.647 56.526 54.840 0.066 0.000 0.787 975 L CB -2.189 39.907 42.059 0.063 0.000 0.893 975 L HN 0.298 nan 8.230 nan 0.000 0.440 976 P HA -0.128 nan 4.420 nan 0.000 0.223 976 P C 1.824 179.011 177.300 -0.188 0.000 1.144 976 P CA 0.869 63.935 63.100 -0.057 0.000 0.783 976 P CB 0.051 31.744 31.700 -0.011 0.000 0.771 977 V N -0.338 119.474 119.914 -0.169 0.000 2.295 977 V HA -0.254 3.864 4.120 -0.003 0.000 0.246 977 V C 2.278 178.292 176.094 -0.133 0.000 1.049 977 V CA 1.620 63.777 62.300 -0.239 0.000 1.024 977 V CB -1.021 30.778 31.823 -0.040 0.000 0.648 977 V HN 0.085 nan 8.190 nan 0.000 0.447 978 I N 0.786 121.322 120.570 -0.057 0.000 2.113 978 I HA -0.301 3.867 4.170 -0.003 0.000 0.242 978 I C 2.605 178.692 176.117 -0.049 0.000 1.057 978 I CA 2.066 63.345 61.300 -0.035 0.000 1.314 978 I CB -1.153 36.838 38.000 -0.015 0.000 1.022 978 I HN 0.434 nan 8.210 nan 0.000 0.408 979 G N 1.071 109.833 108.800 -0.063 0.000 2.459 979 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.217 979 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.217 979 G C 1.633 176.492 174.900 -0.067 0.000 1.183 979 G CA 0.899 45.964 45.100 -0.058 0.000 0.776 979 G HN 0.317 nan 8.290 nan 0.000 0.552 980 L N 0.975 122.121 121.223 -0.128 0.000 2.103 980 L HA -0.166 4.172 4.340 -0.003 0.000 0.215 980 L C 2.038 178.868 176.870 -0.067 0.000 1.080 980 L CA 2.818 57.577 54.840 -0.134 0.000 0.764 980 L CB -0.747 41.148 42.059 -0.274 0.000 0.890 980 L HN 0.283 nan 8.230 nan 0.000 0.435 981 D N -1.161 119.202 120.400 -0.063 0.000 2.084 981 D HA -0.158 4.480 4.640 -0.003 0.000 0.199 981 D C 2.034 178.351 176.300 0.029 0.000 0.981 981 D CA 1.080 55.063 54.000 -0.028 0.000 0.841 981 D CB -0.010 40.773 40.800 -0.028 0.000 0.997 981 D HN 0.298 nan 8.370 nan 0.000 0.454 982 E N 0.277 120.491 120.200 0.023 0.000 2.136 982 E HA -0.220 4.128 4.350 -0.003 0.000 0.202 982 E C 2.381 179.050 176.600 0.115 0.000 1.019 982 E CA 0.815 57.249 56.400 0.057 0.000 0.819 982 E CB -0.445 29.268 29.700 0.022 0.000 0.739 982 E HN 0.502 nan 8.360 nan 0.000 0.458 983 I N 0.581 121.200 120.570 0.082 0.000 2.113 983 I HA -0.295 3.873 4.170 -0.003 0.000 0.238 983 I C 2.610 178.877 176.117 0.249 0.000 1.070 983 I CA 1.045 62.418 61.300 0.122 0.000 1.332 983 I CB -0.445 37.593 38.000 0.064 0.000 1.044 983 I HN 0.047 nan 8.210 nan 0.000 0.402 984 L N 0.435 121.796 121.223 0.231 0.000 2.079 984 L HA -0.232 4.106 4.340 -0.003 0.000 0.210 984 L C 2.629 179.757 176.870 0.430 0.000 1.081 984 L CA 1.488 56.560 54.840 0.386 0.000 0.752 984 L CB -0.581 41.599 42.059 0.200 0.000 0.896 984 L HN 0.241 nan 8.230 nan 0.000 0.433 985 K N -0.390 120.166 120.400 0.259 0.000 2.002 985 K HA -0.213 4.105 4.320 -0.003 0.000 0.209 985 K C 2.047 178.760 176.600 0.187 0.000 1.048 985 K CA 1.546 57.956 56.287 0.204 0.000 0.930 985 K CB -0.349 32.225 32.500 0.125 0.000 0.714 985 K HN 0.081 nan 8.250 nan 0.000 0.438 986 F N 2.057 122.050 119.950 0.071 0.000 2.271 986 F HA -0.201 4.324 4.527 -0.003 0.000 0.302 986 F C 1.428 177.236 175.800 0.014 0.000 1.063 986 F CA 0.962 58.983 58.000 0.035 0.000 1.362 986 F CB 0.006 39.024 39.000 0.030 0.000 1.060 986 F HN -0.024 nan 8.300 nan 0.000 0.521 987 I N 0.536 121.160 120.570 0.090 0.000 3.241 987 I HA -0.134 4.035 4.170 -0.003 0.000 0.280 987 I C 2.301 178.231 176.117 -0.312 0.000 1.320 987 I CA 1.026 62.247 61.300 -0.132 0.000 1.413 987 I CB -2.363 35.550 38.000 -0.144 0.000 1.060 987 I HN 0.276 nan 8.210 nan 0.000 0.500 988 A N 0.600 123.286 122.820 -0.223 0.000 2.132 988 A HA -0.011 4.307 4.320 -0.003 0.000 0.213 988 A C 2.427 179.881 177.584 -0.216 0.000 1.154 988 A CA 0.375 52.308 52.037 -0.174 0.000 0.753 988 A CB -0.147 18.805 19.000 -0.081 0.000 0.826 988 A HN 0.280 nan 8.150 nan 0.000 0.469 989 R N -0.269 119.999 120.500 -0.388 0.000 2.112 989 R HA 0.071 4.409 4.340 -0.003 0.000 0.216 989 R C 1.037 177.144 176.300 -0.321 0.000 1.080 989 R CA 0.798 56.654 56.100 -0.405 0.000 0.996 989 R CB -0.133 29.764 30.300 -0.672 0.000 0.902 989 R HN 0.390 nan 8.270 nan 0.000 0.449 990 N N -0.035 118.467 118.700 -0.329 0.000 2.571 990 N HA -0.096 4.642 4.740 -0.003 0.000 0.189 990 N C -0.114 175.325 175.510 -0.117 0.000 1.154 990 N CA 0.687 53.624 53.050 -0.189 0.000 0.907 990 N CB 0.223 38.628 38.487 -0.137 0.000 0.977 990 N HN 0.125 nan 8.380 nan 0.000 0.449 991 Y N -0.247 119.893 120.300 -0.267 0.000 2.853 991 Y HA 0.345 4.893 4.550 -0.003 0.000 0.332 991 Y C 1.058 176.853 175.900 -0.175 0.000 1.229 991 Y CA -0.636 57.324 58.100 -0.233 0.000 1.177 991 Y CB 0.411 38.696 38.460 -0.291 0.000 1.435 991 Y HN -0.273 nan 8.280 nan 0.000 0.659 992 L N 0.216 120.825 121.223 -1.023 0.000 2.638 992 L HA 0.277 4.615 4.340 -0.003 0.000 0.232 992 L C -0.149 176.559 176.870 -0.269 0.000 1.099 992 L CA 0.169 54.655 54.840 -0.589 0.000 0.883 992 L CB 0.105 41.764 42.059 -0.668 0.000 1.136 992 L HN 0.487 nan 8.230 nan 0.000 0.492 993 E N 0.557 120.724 120.200 -0.055 0.000 2.331 993 E HA 0.459 4.807 4.350 -0.003 0.000 0.272 993 E C -0.010 176.594 176.600 0.007 0.000 1.036 993 E CA -0.164 56.267 56.400 0.051 0.000 0.864 993 E CB 1.520 31.331 29.700 0.185 0.000 1.035 993 E HN 0.166 nan 8.360 nan 0.000 0.408 994 G N 0.000 108.796 108.800 -0.007 0.000 5.446 994 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 994 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 994 G CA 0.000 45.088 45.100 -0.019 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925