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 3ba6_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 XKTGTLTTNQ 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 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.228 55.300 -0.120 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 E N 2.368 122.535 120.200 -0.055 0.000 2.204 2 E HA 0.602 4.964 4.350 0.020 0.000 0.276 2 E C 0.146 176.698 176.600 -0.079 0.000 0.974 2 E CA -0.086 56.177 56.400 -0.228 0.000 0.815 2 E CB 2.055 31.576 29.700 -0.298 0.000 1.119 2 E HN 0.757 nan 8.360 nan 0.000 0.393 3 A N 1.950 124.731 122.820 -0.066 0.000 2.275 3 A HA 0.341 4.673 4.320 0.020 0.000 0.212 3 A C 0.557 178.105 177.584 -0.059 0.000 1.201 3 A CA 0.200 52.227 52.037 -0.018 0.000 0.843 3 A CB 0.296 19.299 19.000 0.005 0.000 0.873 3 A HN 0.460 nan 8.150 nan 0.000 0.492 4 A N -0.168 122.594 122.820 -0.096 0.000 2.337 4 A HA 0.648 4.980 4.320 0.020 0.000 0.329 4 A C -0.039 177.486 177.584 -0.099 0.000 1.146 4 A CA -0.222 51.711 52.037 -0.173 0.000 0.800 4 A CB 0.437 19.366 19.000 -0.118 0.000 1.220 4 A HN 0.748 nan 8.150 nan 0.000 0.472 5 H N -0.899 118.182 119.070 0.017 0.000 3.367 5 H HA 0.239 4.807 4.556 0.020 0.000 0.257 5 H C 0.510 175.854 175.328 0.027 0.000 1.201 5 H CA 0.406 56.464 56.048 0.016 0.000 1.102 5 H CB -0.328 29.449 29.762 0.025 0.000 1.656 5 H HN 0.442 nan 8.280 nan 0.000 0.662 6 S N -0.493 115.098 115.700 -0.181 0.000 2.578 6 S HA 0.309 4.791 4.470 0.020 0.000 0.231 6 S C 0.482 175.074 174.600 -0.013 0.000 0.994 6 S CA -0.695 57.469 58.200 -0.060 0.000 0.956 6 S CB 0.605 63.695 63.200 -0.183 0.000 0.870 6 S HN 0.077 nan 8.310 nan 0.000 0.494 7 K N 2.302 122.698 120.400 -0.006 0.000 2.210 7 K HA 0.519 4.851 4.320 0.020 0.000 0.236 7 K C 0.525 177.153 176.600 0.046 0.000 1.016 7 K CA -0.308 55.992 56.287 0.022 0.000 0.913 7 K CB 1.182 33.698 32.500 0.027 0.000 1.141 7 K HN 0.381 nan 8.250 nan 0.000 0.462 8 S N -1.082 114.648 115.700 0.050 0.000 2.655 8 S HA 0.036 4.517 4.470 0.020 0.000 0.265 8 S C 1.547 176.183 174.600 0.061 0.000 1.240 8 S CA 0.218 58.450 58.200 0.054 0.000 0.986 8 S CB 0.649 63.877 63.200 0.047 0.000 0.985 8 S HN 0.681 nan 8.310 nan 0.000 0.562 9 T N -0.596 113.992 114.554 0.058 0.000 2.622 9 T HA -0.262 4.100 4.350 0.020 0.000 0.266 9 T C 1.636 176.379 174.700 0.073 0.000 1.047 9 T CA 1.720 63.856 62.100 0.060 0.000 1.159 9 T CB -1.394 67.505 68.868 0.051 0.000 0.863 9 T HN 0.872 nan 8.240 nan 0.000 0.422 10 E N 1.753 121.992 120.200 0.064 0.000 2.048 10 E HA -0.295 4.067 4.350 0.020 0.000 0.202 10 E C 2.235 178.889 176.600 0.089 0.000 1.021 10 E CA 1.747 58.187 56.400 0.068 0.000 0.825 10 E CB -0.708 29.023 29.700 0.051 0.000 0.756 10 E HN 0.698 nan 8.360 nan 0.000 0.454 11 E N 0.310 120.559 120.200 0.083 0.000 2.136 11 E HA -0.230 4.132 4.350 0.020 0.000 0.202 11 E C 2.300 178.997 176.600 0.161 0.000 1.019 11 E CA 1.860 58.321 56.400 0.101 0.000 0.819 11 E CB -0.290 29.460 29.700 0.083 0.000 0.739 11 E HN 0.400 nan 8.360 nan 0.000 0.458 12 C N 0.247 119.639 119.300 0.152 0.000 2.476 12 C HA -0.058 4.414 4.460 0.020 0.000 0.278 12 C C 2.621 177.791 174.990 0.300 0.000 1.274 12 C CA 0.158 59.298 59.018 0.203 0.000 1.713 12 C CB -0.865 26.958 27.740 0.139 0.000 2.039 12 C HN 0.402 nan 8.230 nan 0.000 0.484 13 L N 1.167 122.514 121.223 0.206 0.000 2.012 13 L HA -0.214 4.138 4.340 0.020 0.000 0.210 13 L C 2.865 179.869 176.870 0.223 0.000 1.073 13 L CA 1.909 56.867 54.840 0.197 0.000 0.748 13 L CB -0.714 41.415 42.059 0.116 0.000 0.891 13 L HN 0.362 nan 8.230 nan 0.000 0.431 14 A N -1.347 121.575 122.820 0.170 0.000 1.969 14 A HA -0.263 4.069 4.320 0.020 0.000 0.218 14 A C 2.141 179.806 177.584 0.134 0.000 1.169 14 A CA 1.098 53.210 52.037 0.125 0.000 0.635 14 A CB -0.873 18.171 19.000 0.073 0.000 0.810 14 A HN 0.503 nan 8.150 nan 0.000 0.445 15 Y N -0.632 119.680 120.300 0.019 0.000 2.102 15 Y HA -0.310 4.252 4.550 0.020 0.000 0.280 15 Y C 1.713 177.483 175.900 -0.216 0.000 1.178 15 Y CA 2.380 60.400 58.100 -0.133 0.000 1.146 15 Y CB -0.225 38.098 38.460 -0.228 0.000 0.968 15 Y HN 0.324 nan 8.280 nan 0.000 0.504 16 F N -0.544 119.642 119.950 0.393 0.000 2.698 16 F HA 0.288 4.827 4.527 0.020 0.000 0.295 16 F C 1.549 177.467 175.800 0.195 0.000 1.124 16 F CA 0.669 58.866 58.000 0.328 0.000 1.426 16 F CB 0.145 39.286 39.000 0.236 0.000 1.120 16 F HN 0.065 nan 8.300 nan 0.000 0.583 17 G N 1.610 110.577 108.800 0.278 0.000 2.452 17 G HA2 -0.101 3.871 3.960 0.020 0.000 0.275 17 G HA3 -0.101 3.871 3.960 0.020 0.000 0.275 17 G C -0.659 174.333 174.900 0.152 0.000 1.131 17 G CA -0.085 45.117 45.100 0.170 0.000 1.031 17 G HN 0.199 nan 8.290 nan 0.000 0.511 18 V N -0.810 119.191 119.914 0.144 0.000 2.769 18 V HA 0.780 4.912 4.120 0.020 0.000 0.312 18 V C 0.620 176.751 176.094 0.063 0.000 1.061 18 V CA -0.786 61.569 62.300 0.093 0.000 0.931 18 V CB 2.147 34.016 31.823 0.077 0.000 1.010 18 V HN 0.505 nan 8.190 nan 0.000 0.433 19 S N 1.531 117.251 115.700 0.034 0.000 2.400 19 S HA 0.121 4.603 4.470 0.020 0.000 0.295 19 S C 1.138 175.739 174.600 0.002 0.000 1.113 19 S CA -0.245 57.962 58.200 0.013 0.000 1.064 19 S CB 0.538 63.735 63.200 -0.006 0.000 0.990 19 S HN 0.968 nan 8.310 nan 0.000 0.502 20 E N 2.981 123.189 120.200 0.013 0.000 2.253 20 E HA -0.280 4.082 4.350 0.020 0.000 0.202 20 E C 1.623 178.217 176.600 -0.011 0.000 1.014 20 E CA 1.826 58.236 56.400 0.018 0.000 0.823 20 E CB 0.022 29.737 29.700 0.026 0.000 0.736 20 E HN 0.806 nan 8.360 nan 0.000 0.478 21 T N -3.722 110.790 114.554 -0.071 0.000 3.022 21 T HA 0.044 4.406 4.350 0.020 0.000 0.250 21 T C 1.737 176.240 174.700 -0.329 0.000 1.060 21 T CA 0.727 62.709 62.100 -0.198 0.000 1.013 21 T CB 0.391 69.162 68.868 -0.162 0.000 0.982 21 T HN 0.209 nan 8.240 nan 0.000 0.508 22 T N -1.504 112.950 114.554 -0.168 0.000 3.038 22 T HA 0.538 4.900 4.350 0.020 0.000 0.244 22 T C 1.346 176.021 174.700 -0.043 0.000 1.016 22 T CA 0.761 62.780 62.100 -0.136 0.000 1.098 22 T CB -0.258 68.566 68.868 -0.073 0.000 0.954 22 T HN 1.290 nan 8.240 nan 0.000 0.469 23 G N 1.553 110.353 108.800 -0.001 0.000 2.746 23 G HA2 0.067 4.039 3.960 0.020 0.000 0.685 23 G HA3 0.067 4.039 3.960 0.020 0.000 0.685 23 G C -0.897 174.011 174.900 0.015 0.000 1.350 23 G CA -0.642 44.477 45.100 0.030 0.000 0.837 23 G HN 0.579 nan 8.290 nan 0.000 0.564 24 L N 1.015 122.234 121.223 -0.006 0.000 2.506 24 L HA 0.424 4.776 4.340 0.020 0.000 0.281 24 L C 1.935 178.816 176.870 0.018 0.000 1.228 24 L CA 1.031 55.866 54.840 -0.008 0.000 0.850 24 L CB 0.350 42.367 42.059 -0.071 0.000 1.110 24 L HN 1.125 nan 8.230 nan 0.000 0.496 25 T N 0.772 115.350 114.554 0.039 0.000 2.869 25 T HA 0.283 4.645 4.350 0.020 0.000 0.295 25 T C -1.734 172.994 174.700 0.048 0.000 0.987 25 T CA -1.692 60.434 62.100 0.043 0.000 1.109 25 T CB 1.039 69.936 68.868 0.048 0.000 0.932 25 T HN 0.457 nan 8.240 nan 0.000 0.518 26 P HA -0.189 nan 4.420 nan 0.000 0.221 26 P C 0.877 178.207 177.300 0.049 0.000 1.153 26 P CA 1.394 64.518 63.100 0.039 0.000 0.858 26 P CB 0.074 31.793 31.700 0.032 0.000 0.783 27 D N -1.936 118.496 120.400 0.054 0.000 2.249 27 D HA -0.082 4.570 4.640 0.020 0.000 0.205 27 D C 1.957 178.317 176.300 0.099 0.000 0.962 27 D CA 0.703 54.740 54.000 0.061 0.000 0.860 27 D CB -0.185 40.644 40.800 0.049 0.000 0.955 27 D HN 0.165 nan 8.370 nan 0.000 0.505 28 Q N -0.468 119.410 119.800 0.130 0.000 2.167 28 Q HA -0.064 4.287 4.340 0.020 0.000 0.202 28 Q C 2.135 178.325 176.000 0.317 0.000 0.970 28 Q CA 0.750 56.703 55.803 0.249 0.000 0.855 28 Q CB 0.308 29.173 28.738 0.212 0.000 0.911 28 Q HN 0.222 nan 8.270 nan 0.000 0.438 29 V N 1.297 121.298 119.914 0.145 0.000 2.283 29 V HA -0.257 3.875 4.120 0.020 0.000 0.243 29 V C 2.268 178.426 176.094 0.108 0.000 1.039 29 V CA 1.889 64.252 62.300 0.104 0.000 1.016 29 V CB -0.478 31.370 31.823 0.041 0.000 0.650 29 V HN 0.317 nan 8.190 nan 0.000 0.449 30 K N -0.044 120.402 120.400 0.078 0.000 2.160 30 K HA -0.245 4.087 4.320 0.020 0.000 0.206 30 K C 2.346 178.976 176.600 0.049 0.000 1.047 30 K CA 1.739 58.056 56.287 0.049 0.000 0.930 30 K CB -0.121 32.402 32.500 0.038 0.000 0.720 30 K HN 0.289 nan 8.250 nan 0.000 0.450 31 R N -0.805 119.743 120.500 0.080 0.000 2.055 31 R HA -0.076 4.276 4.340 0.020 0.000 0.226 31 R C 2.158 178.463 176.300 0.007 0.000 1.135 31 R CA 1.634 57.748 56.100 0.023 0.000 0.959 31 R CB -0.234 30.068 30.300 0.003 0.000 0.854 31 R HN 0.357 nan 8.270 nan 0.000 0.431 32 H N 0.486 119.600 119.070 0.074 0.000 2.422 32 H HA -0.101 4.467 4.556 0.020 0.000 0.298 32 H C 1.965 177.374 175.328 0.135 0.000 1.098 32 H CA 1.498 57.654 56.048 0.181 0.000 1.315 32 H CB -0.091 29.854 29.762 0.306 0.000 1.382 32 H HN 0.134 nan 8.280 nan 0.000 0.523 33 L N 0.264 121.575 121.223 0.148 0.000 1.989 33 L HA -0.199 4.153 4.340 0.020 0.000 0.211 33 L C 2.399 179.253 176.870 -0.028 0.000 1.071 33 L CA 1.375 56.212 54.840 -0.005 0.000 0.749 33 L CB -0.241 41.757 42.059 -0.102 0.000 0.890 33 L HN 0.345 nan 8.230 nan 0.000 0.431 34 E N -0.067 120.114 120.200 -0.033 0.000 2.153 34 E HA -0.265 4.097 4.350 0.020 0.000 0.194 34 E C 2.014 178.560 176.600 -0.090 0.000 0.988 34 E CA 1.180 57.549 56.400 -0.051 0.000 0.811 34 E CB -0.020 29.652 29.700 -0.048 0.000 0.746 34 E HN 0.416 nan 8.360 nan 0.000 0.466 35 K N -1.007 119.295 120.400 -0.163 0.000 2.356 35 K HA -0.039 4.293 4.320 0.020 0.000 0.195 35 K C 0.677 177.049 176.600 -0.380 0.000 1.037 35 K CA 0.445 56.524 56.287 -0.346 0.000 1.014 35 K CB 0.361 32.505 32.500 -0.594 0.000 0.815 35 K HN 0.019 nan 8.250 nan 0.000 0.507 36 Y N -0.392 119.923 120.300 0.025 0.000 2.499 36 Y HA 0.290 4.852 4.550 0.020 0.000 0.253 36 Y C 0.623 176.536 175.900 0.022 0.000 1.105 36 Y CA 0.007 58.134 58.100 0.045 0.000 1.240 36 Y CB 1.136 39.652 38.460 0.094 0.000 1.289 36 Y HN 0.202 nan 8.280 nan 0.000 0.534 37 G N 0.640 109.508 108.800 0.114 0.000 2.915 37 G HA2 -0.291 3.681 3.960 0.020 0.000 0.337 37 G HA3 -0.291 3.681 3.960 0.020 0.000 0.337 37 G C -0.644 174.266 174.900 0.016 0.000 1.477 37 G CA -0.417 44.712 45.100 0.050 0.000 0.916 37 G HN 0.457 nan 8.290 nan 0.000 0.550 38 H N -0.327 118.782 119.070 0.066 0.000 2.771 38 H HA 0.293 4.861 4.556 0.020 0.000 0.364 38 H C 1.147 176.497 175.328 0.037 0.000 1.133 38 H CA 0.834 56.910 56.048 0.046 0.000 1.423 38 H CB 0.523 30.301 29.762 0.027 0.000 1.425 38 H HN 0.621 nan 8.280 nan 0.000 0.606 39 N N 2.597 121.390 118.700 0.154 0.000 2.895 39 N HA 0.011 4.763 4.740 0.020 0.000 0.277 39 N C -1.132 174.417 175.510 0.066 0.000 1.185 39 N CA -0.141 52.956 53.050 0.077 0.000 1.106 39 N CB -0.240 38.269 38.487 0.038 0.000 1.422 39 N HN 0.715 nan 8.380 nan 0.000 0.521 40 E N 0.948 121.187 120.200 0.065 0.000 2.442 40 E HA 0.334 4.696 4.350 0.020 0.000 0.278 40 E C -1.367 175.252 176.600 0.031 0.000 1.082 40 E CA -0.929 55.494 56.400 0.038 0.000 0.861 40 E CB 0.647 30.363 29.700 0.027 0.000 1.462 40 E HN 0.048 nan 8.360 nan 0.000 0.458 41 L N 0.874 122.107 121.223 0.016 0.000 2.325 41 L HA 0.387 4.739 4.340 0.020 0.000 0.278 41 L C -1.779 175.096 176.870 0.008 0.000 1.023 41 L CA -1.984 52.863 54.840 0.012 0.000 0.811 41 L CB 1.209 43.270 42.059 0.003 0.000 1.249 41 L HN 0.532 nan 8.230 nan 0.000 0.431 42 P HA -0.179 nan 4.420 nan 0.000 0.208 42 P C 0.960 178.257 177.300 -0.005 0.000 1.189 42 P CA 1.372 64.475 63.100 0.005 0.000 0.931 42 P CB 0.023 31.727 31.700 0.007 0.000 0.783 43 A N -0.521 122.293 122.820 -0.010 0.000 5.469 43 A HA -0.421 3.911 4.320 0.020 0.000 0.734 43 A C 1.187 178.758 177.584 -0.022 0.000 1.548 43 A CA 2.916 54.942 52.037 -0.019 0.000 2.370 43 A CB -1.717 17.271 19.000 -0.020 0.000 1.612 43 A HN 0.509 nan 8.150 nan 0.000 0.827 44 E N -2.313 117.871 120.200 -0.025 0.000 4.071 44 E HA -0.227 4.135 4.350 0.020 0.000 0.355 44 E C 0.190 176.769 176.600 -0.034 0.000 0.653 44 E CA 1.453 57.838 56.400 -0.026 0.000 1.298 44 E CB -1.203 28.485 29.700 -0.019 0.000 1.712 44 E HN 0.765 nan 8.360 nan 0.000 0.416 45 E N -0.180 119.993 120.200 -0.044 0.000 2.249 45 E HA 0.473 4.835 4.350 0.020 0.000 0.263 45 E C 0.224 176.766 176.600 -0.097 0.000 0.950 45 E CA -0.385 55.978 56.400 -0.062 0.000 0.827 45 E CB 1.396 31.064 29.700 -0.053 0.000 1.220 45 E HN 0.186 nan 8.360 nan 0.000 0.411 46 G N 1.926 110.640 108.800 -0.144 0.000 2.644 46 G HA2 -0.316 3.656 3.960 0.020 0.000 0.326 46 G HA3 -0.316 3.656 3.960 0.020 0.000 0.326 46 G C 0.188 174.987 174.900 -0.169 0.000 0.090 46 G CA 0.562 45.530 45.100 -0.220 0.000 1.192 46 G HN 0.466 nan 8.290 nan 0.000 0.561 47 K N 0.486 120.795 120.400 -0.153 0.000 2.372 47 K HA 0.290 4.622 4.320 0.020 0.000 0.200 47 K C 0.430 176.956 176.600 -0.122 0.000 1.022 47 K CA 0.296 56.514 56.287 -0.114 0.000 1.125 47 K CB 0.496 32.946 32.500 -0.083 0.000 0.855 47 K HN 0.365 nan 8.250 nan 0.000 0.524 48 S N 0.647 116.242 115.700 -0.176 0.000 2.582 48 S HA 0.229 4.711 4.470 0.020 0.000 0.296 48 S C -0.860 173.583 174.600 -0.260 0.000 1.118 48 S CA -0.799 57.302 58.200 -0.165 0.000 0.947 48 S CB 0.924 64.054 63.200 -0.117 0.000 1.131 48 S HN 0.105 nan 8.310 nan 0.000 0.453 49 L N 4.032 125.127 121.223 -0.213 0.000 2.490 49 L HA 0.077 4.429 4.340 0.020 0.000 0.274 49 L C 1.363 178.146 176.870 -0.146 0.000 1.201 49 L CA -0.077 54.617 54.840 -0.242 0.000 0.869 49 L CB 0.260 42.262 42.059 -0.095 0.000 1.123 49 L HN 0.813 nan 8.230 nan 0.000 0.484 50 W N 1.557 122.844 121.300 -0.023 0.000 2.296 50 W HA -0.245 4.427 4.660 0.020 0.000 0.296 50 W C 2.044 178.556 176.519 -0.011 0.000 1.220 50 W CA 1.485 58.812 57.345 -0.029 0.000 1.223 50 W CB -0.304 29.133 29.460 -0.038 0.000 1.139 50 W HN 0.755 nan 8.180 nan 0.000 0.534 51 E N -0.197 120.122 120.200 0.198 0.000 2.076 51 E HA -0.151 4.211 4.350 0.020 0.000 0.190 51 E C 2.293 178.946 176.600 0.088 0.000 0.979 51 E CA 0.408 56.888 56.400 0.133 0.000 0.807 51 E CB -0.133 29.633 29.700 0.110 0.000 0.761 51 E HN -0.036 nan 8.360 nan 0.000 0.454 52 L N 1.113 122.363 121.223 0.045 0.000 1.997 52 L HA -0.212 4.140 4.340 0.020 0.000 0.216 52 L C 2.619 179.507 176.870 0.030 0.000 1.074 52 L CA 1.370 56.223 54.840 0.023 0.000 0.763 52 L CB -1.331 40.717 42.059 -0.018 0.000 0.890 52 L HN 0.133 nan 8.230 nan 0.000 0.434 53 V N 0.014 119.942 119.914 0.023 0.000 2.453 53 V HA -0.302 3.830 4.120 0.020 0.000 0.252 53 V C 2.585 178.699 176.094 0.034 0.000 1.068 53 V CA 1.124 63.437 62.300 0.021 0.000 1.070 53 V CB -0.458 31.381 31.823 0.026 0.000 0.664 53 V HN 0.305 nan 8.190 nan 0.000 0.461 54 I N 0.104 120.717 120.570 0.071 0.000 2.264 54 I HA -0.188 3.994 4.170 0.020 0.000 0.248 54 I C 1.754 177.929 176.117 0.096 0.000 1.111 54 I CA 1.216 62.572 61.300 0.093 0.000 1.382 54 I CB -1.076 37.019 38.000 0.158 0.000 1.060 54 I HN 0.349 nan 8.210 nan 0.000 0.418 55 E N 1.598 121.867 120.200 0.114 0.000 3.004 55 E HA -0.135 4.227 4.350 0.020 0.000 0.228 55 E C 1.138 177.757 176.600 0.032 0.000 1.416 55 E CA 0.092 56.574 56.400 0.136 0.000 1.352 55 E CB -0.586 29.175 29.700 0.102 0.000 1.283 55 E HN 0.239 nan 8.360 nan 0.000 0.429 56 Q N -0.597 119.138 119.800 -0.107 0.000 2.373 56 Q HA 0.085 4.437 4.340 0.020 0.000 0.206 56 Q C -0.253 175.515 176.000 -0.387 0.000 0.942 56 Q CA 0.145 55.817 55.803 -0.219 0.000 0.953 56 Q CB -0.025 28.567 28.738 -0.243 0.000 1.022 56 Q HN 0.292 nan 8.270 nan 0.000 0.502 57 F N -0.020 119.942 119.950 0.020 0.000 2.266 57 F HA 0.159 4.698 4.527 0.020 0.000 0.306 57 F C 1.864 177.673 175.800 0.015 0.000 1.016 57 F CA -0.376 57.634 58.000 0.018 0.000 1.127 57 F CB 0.089 39.099 39.000 0.017 0.000 1.735 57 F HN 0.083 nan 8.300 nan 0.000 0.540 58 E N -0.694 119.648 120.200 0.237 0.000 4.005 58 E HA -0.245 4.117 4.350 0.020 0.000 0.349 58 E C -0.068 176.581 176.600 0.080 0.000 0.635 58 E CA 1.000 57.473 56.400 0.123 0.000 1.238 58 E CB -0.936 28.824 29.700 0.099 0.000 1.698 58 E HN 0.626 nan 8.360 nan 0.000 0.418 59 D N -0.310 120.136 120.400 0.076 0.000 2.289 59 D HA 0.123 4.774 4.640 0.020 0.000 0.266 59 D C 1.841 178.172 176.300 0.052 0.000 1.243 59 D CA 0.662 54.691 54.000 0.048 0.000 1.019 59 D CB 0.125 40.941 40.800 0.028 0.000 1.126 59 D HN 0.258 nan 8.370 nan 0.000 0.541 60 L N -1.620 119.629 121.223 0.044 0.000 2.042 60 L HA 0.088 4.440 4.340 0.020 0.000 0.204 60 L C 2.153 179.051 176.870 0.047 0.000 1.130 60 L CA 0.385 55.250 54.840 0.042 0.000 0.779 60 L CB -0.929 41.153 42.059 0.038 0.000 0.918 60 L HN 0.141 nan 8.230 nan 0.000 0.450 61 L N 0.654 121.906 121.223 0.049 0.000 2.749 61 L HA -0.008 4.344 4.340 0.020 0.000 0.245 61 L C 1.806 178.714 176.870 0.063 0.000 1.156 61 L CA -0.190 54.680 54.840 0.050 0.000 0.890 61 L CB -0.356 41.736 42.059 0.056 0.000 1.036 61 L HN 0.249 nan 8.230 nan 0.000 0.441 62 V N -0.952 119.008 119.914 0.076 0.000 3.085 62 V HA -0.000 4.132 4.120 0.020 0.000 0.245 62 V C 2.397 178.570 176.094 0.132 0.000 1.114 62 V CA 0.601 62.969 62.300 0.113 0.000 1.108 62 V CB -0.046 31.852 31.823 0.125 0.000 0.798 62 V HN 0.396 nan 8.190 nan 0.000 0.471 63 R N 0.101 120.662 120.500 0.101 0.000 2.115 63 R HA -0.051 4.301 4.340 0.020 0.000 0.230 63 R C 2.174 178.509 176.300 0.057 0.000 1.111 63 R CA 1.216 57.363 56.100 0.079 0.000 0.976 63 R CB -0.244 30.092 30.300 0.059 0.000 0.870 63 R HN 0.356 nan 8.270 nan 0.000 0.445 64 I N 0.832 121.432 120.570 0.050 0.000 2.090 64 I HA -0.262 3.920 4.170 0.020 0.000 0.236 64 I C 2.204 178.342 176.117 0.037 0.000 1.064 64 I CA 1.431 62.751 61.300 0.034 0.000 1.324 64 I CB -0.876 37.138 38.000 0.023 0.000 1.044 64 I HN 0.128 nan 8.210 nan 0.000 0.399 65 L N 0.006 121.259 121.223 0.050 0.000 2.261 65 L HA -0.189 4.163 4.340 0.020 0.000 0.216 65 L C 2.361 179.271 176.870 0.067 0.000 1.114 65 L CA 1.090 55.964 54.840 0.056 0.000 0.777 65 L CB -0.846 41.256 42.059 0.071 0.000 0.910 65 L HN 0.181 nan 8.230 nan 0.000 0.440 66 L N -1.286 119.982 121.223 0.075 0.000 2.027 66 L HA -0.177 4.175 4.340 0.020 0.000 0.206 66 L C 2.247 179.133 176.870 0.028 0.000 1.074 66 L CA 1.579 56.450 54.840 0.051 0.000 0.745 66 L CB -0.544 41.542 42.059 0.046 0.000 0.898 66 L HN 0.222 nan 8.230 nan 0.000 0.433 67 L N -0.637 120.603 121.223 0.029 0.000 2.072 67 L HA 0.038 4.390 4.340 0.020 0.000 0.205 67 L C 2.452 179.341 176.870 0.031 0.000 1.079 67 L CA 1.777 56.633 54.840 0.026 0.000 0.752 67 L CB -0.885 41.190 42.059 0.026 0.000 0.906 67 L HN 0.217 nan 8.230 nan 0.000 0.436 68 A N -0.420 122.414 122.820 0.023 0.000 2.084 68 A HA -0.166 4.166 4.320 0.020 0.000 0.221 68 A C 2.374 179.971 177.584 0.023 0.000 1.161 68 A CA 1.760 53.801 52.037 0.006 0.000 0.653 68 A CB -0.977 18.016 19.000 -0.012 0.000 0.802 68 A HN 0.578 nan 8.150 nan 0.000 0.457 69 A N -1.456 121.391 122.820 0.044 0.000 1.970 69 A HA -0.023 4.309 4.320 0.020 0.000 0.216 69 A C 2.241 179.878 177.584 0.087 0.000 1.170 69 A CA 1.285 53.363 52.037 0.067 0.000 0.645 69 A CB -1.041 18.007 19.000 0.080 0.000 0.816 69 A HN 0.569 nan 8.150 nan 0.000 0.447 70 C N 0.218 119.561 119.300 0.073 0.000 2.436 70 C HA -0.123 4.348 4.460 0.020 0.000 0.277 70 C C 2.686 177.748 174.990 0.120 0.000 1.241 70 C CA 0.999 60.081 59.018 0.106 0.000 1.721 70 C CB -1.357 26.419 27.740 0.060 0.000 2.043 70 C HN 0.770 nan 8.230 nan 0.000 0.472 71 I N -0.127 120.489 120.570 0.076 0.000 2.179 71 I HA -0.149 4.033 4.170 0.020 0.000 0.242 71 I C 2.236 178.377 176.117 0.041 0.000 1.088 71 I CA 2.071 63.413 61.300 0.070 0.000 1.357 71 I CB -0.997 37.079 38.000 0.126 0.000 1.051 71 I HN 0.101 nan 8.210 nan 0.000 0.409 72 S N 0.406 116.126 115.700 0.033 0.000 2.547 72 S HA -0.055 4.427 4.470 0.020 0.000 0.235 72 S C 1.463 176.045 174.600 -0.030 0.000 0.980 72 S CA 0.988 59.180 58.200 -0.014 0.000 0.941 72 S CB -0.582 62.605 63.200 -0.022 0.000 0.763 72 S HN 0.635 nan 8.310 nan 0.000 0.532 73 F N 0.924 120.796 119.950 -0.129 0.000 2.619 73 F HA 0.175 4.714 4.527 0.020 0.000 0.293 73 F C 1.648 177.357 175.800 -0.152 0.000 1.119 73 F CA 0.333 58.243 58.000 -0.151 0.000 1.445 73 F CB 0.048 39.019 39.000 -0.048 0.000 1.119 73 F HN -0.021 nan 8.300 nan 0.000 0.573 74 V N 0.473 120.220 119.914 -0.277 0.000 2.535 74 V HA -0.189 3.943 4.120 0.020 0.000 0.246 74 V C 2.379 178.205 176.094 -0.447 0.000 1.045 74 V CA 1.271 63.288 62.300 -0.472 0.000 1.058 74 V CB -0.616 30.992 31.823 -0.359 0.000 0.689 74 V HN 0.277 nan 8.190 nan 0.000 0.461 75 L N 0.545 121.631 121.223 -0.228 0.000 2.141 75 L HA -0.100 4.252 4.340 0.020 0.000 0.209 75 L C 2.615 179.391 176.870 -0.155 0.000 1.094 75 L CA 1.530 56.307 54.840 -0.105 0.000 0.763 75 L CB -0.716 41.340 42.059 -0.005 0.000 0.908 75 L HN 0.394 nan 8.230 nan 0.000 0.437 76 A N -1.122 121.500 122.820 -0.329 0.000 2.067 76 A HA -0.194 4.138 4.320 0.020 0.000 0.217 76 A C 2.101 179.422 177.584 -0.438 0.000 1.156 76 A CA 0.383 52.102 52.037 -0.530 0.000 0.683 76 A CB -0.578 17.790 19.000 -1.054 0.000 0.808 76 A HN 0.633 nan 8.150 nan 0.000 0.455 77 W N -0.555 120.414 121.300 -0.552 0.000 2.523 77 W HA 0.074 4.746 4.660 0.020 0.000 0.278 77 W C 0.254 176.757 176.519 -0.027 0.000 1.236 77 W CA 0.658 57.794 57.345 -0.348 0.000 1.306 77 W CB -0.130 28.975 29.460 -0.591 0.000 1.101 77 W HN 0.370 nan 8.180 nan 0.000 0.577 78 F N 1.171 121.177 119.950 0.094 0.000 2.713 78 F HA 0.148 4.687 4.527 0.020 0.000 0.294 78 F C 0.205 175.996 175.800 -0.016 0.000 1.152 78 F CA -0.095 57.938 58.000 0.053 0.000 1.385 78 F CB -0.141 38.899 39.000 0.066 0.000 0.981 78 F HN -0.240 nan 8.300 nan 0.000 0.514 79 E N 2.627 122.891 120.200 0.107 0.000 2.102 79 E HA 0.112 4.474 4.350 0.020 0.000 0.263 79 E C -0.552 176.056 176.600 0.013 0.000 0.894 79 E CA -0.507 55.917 56.400 0.040 0.000 0.746 79 E CB 0.736 30.428 29.700 -0.013 0.000 1.129 79 E HN 0.371 nan 8.360 nan 0.000 0.416 80 E N 3.296 123.502 120.200 0.010 0.000 2.134 80 E HA 0.652 5.014 4.350 0.020 0.000 0.278 80 E C -0.137 176.457 176.600 -0.010 0.000 0.959 80 E CA -1.035 55.360 56.400 -0.008 0.000 0.783 80 E CB 1.786 31.476 29.700 -0.017 0.000 1.095 80 E HN 0.516 nan 8.360 nan 0.000 0.399 81 G N 2.130 110.923 108.800 -0.011 0.000 2.387 81 G HA2 0.060 4.031 3.960 0.020 0.000 0.294 81 G HA3 0.060 4.031 3.960 0.020 0.000 0.294 81 G C -0.257 174.636 174.900 -0.012 0.000 1.509 81 G CA -0.725 44.368 45.100 -0.012 0.000 0.806 81 G HN 0.341 nan 8.290 nan 0.000 0.546 82 E N 0.309 120.501 120.200 -0.014 0.000 2.512 82 E HA 0.037 4.399 4.350 0.020 0.000 0.195 82 E C 0.248 176.841 176.600 -0.013 0.000 1.083 82 E CA 0.482 56.873 56.400 -0.015 0.000 0.873 82 E CB 0.413 30.103 29.700 -0.016 0.000 0.897 82 E HN 0.526 nan 8.360 nan 0.000 0.514 83 E N 0.598 120.792 120.200 -0.010 0.000 3.105 83 E HA 0.059 4.420 4.350 0.020 0.000 0.219 83 E C 0.034 176.635 176.600 0.002 0.000 1.064 83 E CA -0.045 56.349 56.400 -0.010 0.000 1.342 83 E CB 0.235 29.927 29.700 -0.014 0.000 1.295 83 E HN 0.070 nan 8.360 nan 0.000 0.438 84 T N -1.637 112.927 114.554 0.017 0.000 3.535 84 T HA 0.221 4.583 4.350 0.020 0.000 0.238 84 T C 0.931 175.712 174.700 0.135 0.000 0.909 84 T CA -0.065 62.071 62.100 0.059 0.000 0.928 84 T CB -0.318 68.581 68.868 0.051 0.000 1.134 84 T HN 0.065 nan 8.240 nan 0.000 0.627 85 I N -0.453 120.170 120.570 0.090 0.000 4.881 85 I HA 0.141 4.323 4.170 0.020 0.000 0.319 85 I C 1.846 177.985 176.117 0.037 0.000 1.205 85 I CA 0.382 61.755 61.300 0.122 0.000 1.368 85 I CB 0.035 38.060 38.000 0.043 0.000 1.484 85 I HN 0.150 nan 8.210 nan 0.000 0.486 86 T N 1.297 115.820 114.554 -0.051 0.000 2.996 86 T HA -0.051 4.310 4.350 0.020 0.000 0.271 86 T C 1.618 176.242 174.700 -0.126 0.000 1.126 86 T CA 1.313 63.329 62.100 -0.140 0.000 1.103 86 T CB -0.315 68.461 68.868 -0.153 0.000 0.870 86 T HN 0.415 nan 8.240 nan 0.000 0.528 87 A N -0.394 122.366 122.820 -0.100 0.000 2.095 87 A HA 0.333 4.665 4.320 0.020 0.000 0.212 87 A C 1.559 178.967 177.584 -0.293 0.000 1.162 87 A CA 0.246 52.167 52.037 -0.193 0.000 0.753 87 A CB -0.323 18.532 19.000 -0.240 0.000 0.840 87 A HN 0.473 nan 8.150 nan 0.000 0.468 88 F N -1.207 118.674 119.950 -0.115 0.000 2.619 88 F HA 0.058 4.597 4.527 0.020 0.000 0.293 88 F C 2.141 177.765 175.800 -0.294 0.000 1.119 88 F CA 0.538 58.432 58.000 -0.176 0.000 1.445 88 F CB 0.118 39.030 39.000 -0.146 0.000 1.119 88 F HN 0.020 nan 8.300 nan 0.000 0.573 89 V N 0.154 120.051 119.914 -0.028 0.000 2.358 89 V HA -0.265 3.867 4.120 0.020 0.000 0.246 89 V C 2.053 178.155 176.094 0.013 0.000 1.047 89 V CA 1.890 64.179 62.300 -0.019 0.000 1.035 89 V CB -0.470 31.301 31.823 -0.087 0.000 0.658 89 V HN 0.304 nan 8.190 nan 0.000 0.452 90 E N 0.180 120.358 120.200 -0.036 0.000 2.065 90 E HA -0.246 4.115 4.350 0.020 0.000 0.201 90 E C -0.396 176.246 176.600 0.070 0.000 1.016 90 E CA 1.998 58.407 56.400 0.014 0.000 0.818 90 E CB -1.304 28.372 29.700 -0.041 0.000 0.749 90 E HN 0.539 nan 8.360 nan 0.000 0.453 91 P HA -0.136 nan 4.420 nan 0.000 0.228 91 P C 0.345 177.893 177.300 0.412 0.000 1.151 91 P CA 1.224 64.391 63.100 0.112 0.000 0.770 91 P CB -0.056 31.649 31.700 0.008 0.000 0.786 92 F N -2.619 117.408 119.950 0.128 0.000 2.682 92 F HA 0.094 4.633 4.527 0.020 0.000 0.308 92 F C 1.401 177.296 175.800 0.160 0.000 1.093 92 F CA -0.271 57.809 58.000 0.133 0.000 1.244 92 F CB 0.594 39.681 39.000 0.144 0.000 1.052 92 F HN -0.306 nan 8.300 nan 0.000 0.573 93 V N -0.013 120.109 119.914 0.346 0.000 3.590 93 V HA -0.043 4.089 4.120 0.020 0.000 0.265 93 V C 1.616 177.831 176.094 0.203 0.000 1.239 93 V CA 0.793 63.273 62.300 0.301 0.000 1.117 93 V CB 0.094 32.134 31.823 0.362 0.000 0.818 93 V HN 0.300 nan 8.190 nan 0.000 0.451 94 I N -0.997 119.689 120.570 0.194 0.000 2.685 94 I HA -0.001 4.180 4.170 0.020 0.000 0.251 94 I C 2.132 178.338 176.117 0.148 0.000 1.102 94 I CA 0.574 61.960 61.300 0.143 0.000 1.442 94 I CB -0.183 37.890 38.000 0.121 0.000 1.194 94 I HN 0.203 nan 8.210 nan 0.000 0.448 95 L N 0.629 121.958 121.223 0.177 0.000 2.127 95 L HA -0.217 4.134 4.340 0.020 0.000 0.211 95 L C 2.352 179.297 176.870 0.124 0.000 1.089 95 L CA 1.639 56.567 54.840 0.146 0.000 0.757 95 L CB -0.805 41.324 42.059 0.118 0.000 0.899 95 L HN 0.198 nan 8.230 nan 0.000 0.434 96 L N -0.834 120.463 121.223 0.124 0.000 1.994 96 L HA -0.230 4.122 4.340 0.020 0.000 0.208 96 L C 2.337 179.253 176.870 0.077 0.000 1.071 96 L CA 1.683 56.578 54.840 0.092 0.000 0.745 96 L CB -0.537 41.592 42.059 0.115 0.000 0.892 96 L HN 0.236 nan 8.230 nan 0.000 0.431 97 I N -1.248 119.365 120.570 0.073 0.000 2.226 97 I HA -0.323 3.859 4.170 0.020 0.000 0.245 97 I C 2.280 178.436 176.117 0.065 0.000 1.100 97 I CA 1.303 62.634 61.300 0.052 0.000 1.374 97 I CB 0.011 38.034 38.000 0.039 0.000 1.057 97 I HN 0.279 nan 8.210 nan 0.000 0.413 98 L N 0.506 121.790 121.223 0.102 0.000 2.013 98 L HA -0.283 4.069 4.340 0.020 0.000 0.212 98 L C 2.606 179.530 176.870 0.091 0.000 1.073 98 L CA 1.287 56.203 54.840 0.126 0.000 0.753 98 L CB -0.725 41.501 42.059 0.279 0.000 0.890 98 L HN 0.293 nan 8.230 nan 0.000 0.432 99 I N 0.244 120.896 120.570 0.136 0.000 2.179 99 I HA -0.245 3.937 4.170 0.020 0.000 0.242 99 I C 2.893 179.043 176.117 0.054 0.000 1.088 99 I CA 1.662 63.032 61.300 0.117 0.000 1.357 99 I CB -1.586 36.474 38.000 0.100 0.000 1.051 99 I HN 0.175 nan 8.210 nan 0.000 0.409 100 A N 1.107 123.954 122.820 0.045 0.000 1.883 100 A HA -0.234 4.098 4.320 0.020 0.000 0.217 100 A C 2.161 179.756 177.584 0.017 0.000 1.186 100 A CA 2.020 54.076 52.037 0.031 0.000 0.624 100 A CB -0.780 18.234 19.000 0.023 0.000 0.822 100 A HN 0.402 nan 8.150 nan 0.000 0.444 101 N N 0.357 119.061 118.700 0.005 0.000 2.069 101 N HA -0.134 4.618 4.740 0.020 0.000 0.191 101 N C 1.930 177.413 175.510 -0.045 0.000 1.031 101 N CA 1.669 54.711 53.050 -0.014 0.000 0.852 101 N CB -0.696 37.783 38.487 -0.014 0.000 1.018 101 N HN 0.460 nan 8.380 nan 0.000 0.423 102 A N 1.567 124.328 122.820 -0.099 0.000 1.884 102 A HA -0.188 4.144 4.320 0.020 0.000 0.219 102 A C 2.319 179.893 177.584 -0.016 0.000 1.197 102 A CA 1.493 53.444 52.037 -0.143 0.000 0.637 102 A CB -0.916 17.953 19.000 -0.218 0.000 0.827 102 A HN 0.300 nan 8.150 nan 0.000 0.450 103 I N -0.642 119.955 120.570 0.044 0.000 2.127 103 I HA -0.240 3.942 4.170 0.020 0.000 0.241 103 I C 2.376 178.602 176.117 0.181 0.000 1.075 103 I CA 1.495 62.874 61.300 0.131 0.000 1.334 103 I CB -0.749 37.343 38.000 0.153 0.000 1.040 103 I HN 0.170 nan 8.210 nan 0.000 0.405 104 V N 1.410 121.386 119.914 0.102 0.000 2.287 104 V HA -0.236 3.896 4.120 0.020 0.000 0.248 104 V C 2.647 178.811 176.094 0.116 0.000 1.053 104 V CA 2.287 64.637 62.300 0.084 0.000 1.027 104 V CB -1.458 30.367 31.823 0.003 0.000 0.646 104 V HN 0.596 nan 8.190 nan 0.000 0.447 105 G N -0.177 108.659 108.800 0.060 0.000 2.480 105 G HA2 -0.236 3.736 3.960 0.020 0.000 0.216 105 G HA3 -0.236 3.736 3.960 0.020 0.000 0.216 105 G C 1.695 176.639 174.900 0.073 0.000 1.200 105 G CA 1.295 46.416 45.100 0.034 0.000 0.782 105 G HN 0.361 nan 8.290 nan 0.000 0.554 106 V N -0.229 119.732 119.914 0.078 0.000 2.324 106 V HA -0.195 3.937 4.120 0.020 0.000 0.250 106 V C 2.357 178.533 176.094 0.136 0.000 1.060 106 V CA 1.892 64.243 62.300 0.085 0.000 1.042 106 V CB -0.556 31.314 31.823 0.080 0.000 0.650 106 V HN 0.600 nan 8.190 nan 0.000 0.450 107 W N 0.501 121.810 121.300 0.015 0.000 2.358 107 W HA -0.203 4.469 4.660 0.020 0.000 0.303 107 W C 2.552 179.080 176.519 0.016 0.000 1.208 107 W CA 2.257 59.615 57.345 0.022 0.000 1.274 107 W CB -0.405 29.063 29.460 0.013 0.000 1.138 107 W HN 0.304 nan 8.180 nan 0.000 0.515 108 Q N 0.767 120.752 119.800 0.308 0.000 2.079 108 Q HA -0.224 4.128 4.340 0.020 0.000 0.200 108 Q C 2.006 178.068 176.000 0.102 0.000 0.974 108 Q CA 2.228 58.141 55.803 0.183 0.000 0.840 108 Q CB -0.526 28.275 28.738 0.104 0.000 0.898 108 Q HN 0.175 nan 8.270 nan 0.000 0.430 109 E N -0.684 119.559 120.200 0.072 0.000 2.150 109 E HA -0.140 4.222 4.350 0.020 0.000 0.193 109 E C 1.761 178.374 176.600 0.021 0.000 0.985 109 E CA 0.846 57.262 56.400 0.027 0.000 0.814 109 E CB -0.044 29.662 29.700 0.010 0.000 0.752 109 E HN 0.075 nan 8.360 nan 0.000 0.466 110 R N 0.471 120.989 120.500 0.029 0.000 2.075 110 R HA 0.088 4.440 4.340 0.020 0.000 0.232 110 R C 1.706 178.016 176.300 0.016 0.000 1.126 110 R CA 1.782 57.883 56.100 0.002 0.000 0.963 110 R CB -0.587 29.689 30.300 -0.039 0.000 0.858 110 R HN 0.309 nan 8.270 nan 0.000 0.435 111 N N -0.589 118.146 118.700 0.059 0.000 2.244 111 N HA -0.115 4.637 4.740 0.020 0.000 0.183 111 N C 1.435 176.972 175.510 0.044 0.000 1.016 111 N CA 0.842 53.938 53.050 0.078 0.000 0.866 111 N CB -0.030 38.550 38.487 0.155 0.000 0.980 111 N HN 0.259 nan 8.380 nan 0.000 0.430 112 A N 1.637 124.474 122.820 0.029 0.000 1.872 112 A HA -0.128 4.204 4.320 0.020 0.000 0.214 112 A C 1.933 179.515 177.584 -0.003 0.000 1.187 112 A CA 1.100 53.140 52.037 0.005 0.000 0.614 112 A CB -0.370 18.625 19.000 -0.008 0.000 0.826 112 A HN 0.237 nan 8.150 nan 0.000 0.442 113 E N 0.187 120.383 120.200 -0.007 0.000 2.085 113 E HA -0.225 4.137 4.350 0.020 0.000 0.194 113 E C 1.876 178.470 176.600 -0.010 0.000 0.994 113 E CA 1.476 57.866 56.400 -0.017 0.000 0.801 113 E CB -0.358 29.325 29.700 -0.030 0.000 0.743 113 E HN 0.740 nan 8.360 nan 0.000 0.453 114 N N 0.651 119.350 118.700 -0.000 0.000 2.028 114 N HA -0.164 4.588 4.740 0.020 0.000 0.194 114 N C 2.068 177.584 175.510 0.010 0.000 1.050 114 N CA 0.879 53.933 53.050 0.008 0.000 0.848 114 N CB -0.217 38.282 38.487 0.019 0.000 1.038 114 N HN 0.078 nan 8.380 nan 0.000 0.423 115 A N 1.486 124.314 122.820 0.013 0.000 1.940 115 A HA -0.215 4.117 4.320 0.020 0.000 0.221 115 A C 2.162 179.746 177.584 -0.000 0.000 1.190 115 A CA 1.421 53.463 52.037 0.008 0.000 0.647 115 A CB -0.910 18.093 19.000 0.005 0.000 0.821 115 A HN 0.254 nan 8.150 nan 0.000 0.457 116 I N -0.663 119.904 120.570 -0.005 0.000 2.113 116 I HA -0.217 3.965 4.170 0.020 0.000 0.238 116 I C 2.416 178.533 176.117 0.001 0.000 1.070 116 I CA 1.457 62.752 61.300 -0.008 0.000 1.332 116 I CB -0.372 37.620 38.000 -0.014 0.000 1.044 116 I HN 0.252 nan 8.210 nan 0.000 0.402 117 E N 0.862 121.063 120.200 0.001 0.000 2.267 117 E HA -0.216 4.146 4.350 0.020 0.000 0.197 117 E C 2.157 178.772 176.600 0.024 0.000 0.998 117 E CA 1.251 57.655 56.400 0.007 0.000 0.830 117 E CB -0.370 29.329 29.700 -0.001 0.000 0.751 117 E HN 0.535 nan 8.360 nan 0.000 0.491 118 A N 1.252 124.089 122.820 0.027 0.000 1.845 118 A HA -0.138 4.193 4.320 0.020 0.000 0.215 118 A C 2.333 179.957 177.584 0.067 0.000 1.195 118 A CA 1.077 53.143 52.037 0.048 0.000 0.616 118 A CB -0.781 18.237 19.000 0.031 0.000 0.832 118 A HN 0.252 nan 8.150 nan 0.000 0.443 119 L N -0.544 120.694 121.223 0.026 0.000 1.994 119 L HA -0.220 4.132 4.340 0.020 0.000 0.208 119 L C 2.651 179.562 176.870 0.069 0.000 1.071 119 L CA 1.958 56.805 54.840 0.012 0.000 0.745 119 L CB -0.437 41.608 42.059 -0.023 0.000 0.892 119 L HN 0.446 nan 8.230 nan 0.000 0.431 120 K N -0.216 120.212 120.400 0.046 0.000 1.977 120 K HA -0.198 4.134 4.320 0.020 0.000 0.218 120 K C 1.475 178.116 176.600 0.067 0.000 1.051 120 K CA 1.223 57.538 56.287 0.046 0.000 0.953 120 K CB -0.329 32.183 32.500 0.019 0.000 0.727 120 K HN 0.217 nan 8.250 nan 0.000 0.445 121 E N 0.479 120.713 120.200 0.058 0.000 2.428 121 E HA -0.127 4.235 4.350 0.020 0.000 0.199 121 E C 1.002 177.642 176.600 0.066 0.000 1.172 121 E CA 0.445 56.869 56.400 0.041 0.000 0.941 121 E CB -0.321 29.391 29.700 0.021 0.000 1.001 121 E HN 0.366 nan 8.360 nan 0.000 0.501 122 Y N 1.228 121.519 120.300 -0.015 0.000 2.186 122 Y HA 0.019 4.581 4.550 0.020 0.000 0.286 122 Y C 0.878 176.769 175.900 -0.015 0.000 1.109 122 Y CA 0.541 58.633 58.100 -0.013 0.000 1.099 122 Y CB 0.319 38.773 38.460 -0.010 0.000 1.030 122 Y HN -0.128 nan 8.280 nan 0.000 0.495 123 E N 2.666 122.931 120.200 0.107 0.000 2.105 123 E HA 0.252 4.614 4.350 0.020 0.000 0.285 123 E C -2.622 173.960 176.600 -0.030 0.000 1.055 123 E CA -2.618 53.785 56.400 0.005 0.000 0.843 123 E CB 0.428 30.206 29.700 0.129 0.000 1.067 123 E HN 0.150 nan 8.360 nan 0.000 0.398 124 P HA 0.021 nan 4.420 nan 0.000 0.268 124 P C -0.815 176.462 177.300 -0.038 0.000 1.204 124 P CA 0.087 63.150 63.100 -0.062 0.000 0.768 124 P CB 0.534 32.184 31.700 -0.083 0.000 0.842 125 E N 2.485 122.668 120.200 -0.028 0.000 2.324 125 E HA 0.142 4.504 4.350 0.020 0.000 0.271 125 E C -0.053 176.531 176.600 -0.027 0.000 1.028 125 E CA -0.160 56.227 56.400 -0.022 0.000 0.890 125 E CB 0.389 30.079 29.700 -0.017 0.000 1.004 125 E HN 0.308 nan 8.360 nan 0.000 0.431 126 M N 1.532 121.116 119.600 -0.028 0.000 2.528 126 M HA 0.457 4.949 4.480 0.020 0.000 0.318 126 M C 0.350 176.629 176.300 -0.036 0.000 1.195 126 M CA -0.557 54.723 55.300 -0.033 0.000 1.000 126 M CB 1.520 34.098 32.600 -0.036 0.000 1.615 126 M HN 0.552 nan 8.290 nan 0.000 0.469 127 G N 1.167 109.941 108.800 -0.042 0.000 2.574 127 G HA2 0.656 4.628 3.960 0.020 0.000 0.299 127 G HA3 0.656 4.628 3.960 0.020 0.000 0.299 127 G C -1.293 173.566 174.900 -0.068 0.000 1.298 127 G CA -0.719 44.350 45.100 -0.052 0.000 0.952 127 G HN 0.573 nan 8.290 nan 0.000 0.477 128 K N 0.535 120.883 120.400 -0.087 0.000 2.263 128 K HA 0.537 4.869 4.320 0.020 0.000 0.272 128 K C -0.301 176.208 176.600 -0.151 0.000 1.033 128 K CA -0.583 55.631 56.287 -0.122 0.000 0.884 128 K CB 1.893 34.309 32.500 -0.139 0.000 1.107 128 K HN 0.473 nan 8.250 nan 0.000 0.460 129 V N -0.067 119.760 119.914 -0.145 0.000 2.962 129 V HA 0.475 4.606 4.120 0.020 0.000 0.313 129 V C -1.063 174.959 176.094 -0.121 0.000 1.099 129 V CA -1.110 61.111 62.300 -0.132 0.000 0.971 129 V CB 1.144 32.927 31.823 -0.066 0.000 1.028 129 V HN 0.630 nan 8.190 nan 0.000 0.430 130 Y N 2.732 123.011 120.300 -0.035 0.000 2.350 130 Y HA 0.696 5.258 4.550 0.020 0.000 0.340 130 Y C 0.703 176.584 175.900 -0.030 0.000 1.006 130 Y CA -0.680 57.404 58.100 -0.026 0.000 1.166 130 Y CB 1.182 39.628 38.460 -0.023 0.000 1.168 130 Y HN 0.529 nan 8.280 nan 0.000 0.502 131 R N 1.642 122.240 120.500 0.164 0.000 2.795 131 R HA 0.435 4.786 4.340 0.020 0.000 0.275 131 R C 0.469 176.802 176.300 0.057 0.000 0.981 131 R CA -0.363 55.783 56.100 0.075 0.000 0.917 131 R CB 1.702 32.029 30.300 0.045 0.000 1.202 131 R HN 0.786 nan 8.270 nan 0.000 0.469 132 A N 1.482 124.322 122.820 0.033 0.000 1.917 132 A HA -0.238 4.094 4.320 0.020 0.000 0.219 132 A C 1.255 178.853 177.584 0.023 0.000 1.182 132 A CA 2.277 54.326 52.037 0.020 0.000 0.633 132 A CB -0.531 18.481 19.000 0.020 0.000 0.819 132 A HN 0.802 nan 8.150 nan 0.000 0.448 133 D N -1.008 119.409 120.400 0.030 0.000 2.392 133 D HA -0.039 4.613 4.640 0.020 0.000 0.228 133 D C 0.627 176.949 176.300 0.035 0.000 1.003 133 D CA 0.500 54.517 54.000 0.030 0.000 0.917 133 D CB -0.188 40.630 40.800 0.031 0.000 0.890 133 D HN 0.482 nan 8.370 nan 0.000 0.532 134 R N -0.758 119.768 120.500 0.044 0.000 2.584 134 R HA 0.329 4.681 4.340 0.020 0.000 0.276 134 R C 0.491 176.823 176.300 0.054 0.000 1.046 134 R CA -0.735 55.398 56.100 0.055 0.000 0.906 134 R CB 1.771 32.116 30.300 0.074 0.000 1.215 134 R HN -0.194 nan 8.270 nan 0.000 0.449 135 K N 0.424 120.848 120.400 0.041 0.000 2.062 135 K HA 0.072 4.404 4.320 0.020 0.000 0.205 135 K C 0.654 177.283 176.600 0.050 0.000 1.051 135 K CA 0.939 57.233 56.287 0.012 0.000 0.941 135 K CB 0.139 32.642 32.500 0.005 0.000 0.719 135 K HN 0.287 nan 8.250 nan 0.000 0.440 136 S N 0.363 116.134 115.700 0.119 0.000 2.652 136 S HA 0.160 4.642 4.470 0.020 0.000 0.270 136 S C -0.527 174.255 174.600 0.302 0.000 1.243 136 S CA -0.702 57.625 58.200 0.213 0.000 0.999 136 S CB 1.744 65.027 63.200 0.138 0.000 0.973 136 S HN 0.048 nan 8.310 nan 0.000 0.544 137 V N 2.932 123.038 119.914 0.320 0.000 2.763 137 V HA 0.208 4.340 4.120 0.020 0.000 0.306 137 V C -0.124 175.970 176.094 -0.000 0.000 1.059 137 V CA 0.606 62.895 62.300 -0.017 0.000 1.138 137 V CB 0.651 32.234 31.823 -0.401 0.000 0.940 137 V HN 0.924 nan 8.190 nan 0.000 0.489 138 Q N 6.480 126.265 119.800 -0.026 0.000 2.433 138 Q HA 0.649 5.001 4.340 0.020 0.000 0.279 138 Q C -1.046 174.926 176.000 -0.047 0.000 1.105 138 Q CA -1.150 54.644 55.803 -0.014 0.000 0.815 138 Q CB 1.785 30.535 28.738 0.019 0.000 1.403 138 Q HN 0.795 nan 8.270 nan 0.000 0.435 139 R N 1.830 122.305 120.500 -0.042 0.000 2.295 139 R HA 0.652 5.004 4.340 0.020 0.000 0.324 139 R C -0.632 175.642 176.300 -0.043 0.000 0.968 139 R CA -0.575 55.494 56.100 -0.051 0.000 0.837 139 R CB 0.552 30.821 30.300 -0.053 0.000 1.133 139 R HN 0.819 nan 8.270 nan 0.000 0.450 140 I N -1.551 118.995 120.570 -0.040 0.000 2.689 140 I HA 0.459 4.640 4.170 0.020 0.000 0.299 140 I C -0.613 175.487 176.117 -0.028 0.000 1.059 140 I CA -1.573 59.709 61.300 -0.029 0.000 1.055 140 I CB 2.218 40.207 38.000 -0.018 0.000 1.243 140 I HN 0.431 nan 8.210 nan 0.000 0.425 141 K N 3.730 124.116 120.400 -0.024 0.000 2.441 141 K HA 0.010 4.342 4.320 0.020 0.000 0.273 141 K C 1.283 177.879 176.600 -0.007 0.000 1.090 141 K CA 0.655 56.929 56.287 -0.021 0.000 1.158 141 K CB 0.719 33.205 32.500 -0.023 0.000 0.847 141 K HN 0.791 nan 8.250 nan 0.000 0.483 142 A N 4.252 127.064 122.820 -0.014 0.000 1.948 142 A HA -0.259 4.073 4.320 0.020 0.000 0.220 142 A C 2.078 179.670 177.584 0.013 0.000 1.177 142 A CA 1.796 53.827 52.037 -0.010 0.000 0.636 142 A CB -0.423 18.568 19.000 -0.016 0.000 0.815 142 A HN 0.888 nan 8.150 nan 0.000 0.449 143 R N -0.427 120.086 120.500 0.021 0.000 2.185 143 R HA -0.200 4.152 4.340 0.020 0.000 0.247 143 R C 0.592 176.994 176.300 0.170 0.000 1.159 143 R CA 1.897 58.033 56.100 0.060 0.000 0.988 143 R CB -0.301 29.996 30.300 -0.006 0.000 0.871 143 R HN 0.504 nan 8.270 nan 0.000 0.458 144 D N 0.429 120.907 120.400 0.130 0.000 2.346 144 D HA 0.002 4.654 4.640 0.020 0.000 0.206 144 D C 0.993 177.323 176.300 0.050 0.000 1.001 144 D CA 0.258 54.347 54.000 0.148 0.000 0.871 144 D CB -0.048 40.809 40.800 0.096 0.000 0.943 144 D HN 0.413 nan 8.370 nan 0.000 0.518 145 I N 0.680 121.261 120.570 0.018 0.000 2.696 145 I HA 0.164 4.346 4.170 0.020 0.000 0.284 145 I C -0.014 176.080 176.117 -0.039 0.000 1.129 145 I CA -0.498 60.785 61.300 -0.029 0.000 1.410 145 I CB 1.014 38.983 38.000 -0.052 0.000 1.399 145 I HN -0.232 nan 8.210 nan 0.000 0.579 146 V N 2.781 122.647 119.914 -0.080 0.000 3.141 146 V HA 0.734 4.865 4.120 0.020 0.000 0.312 146 V C -2.769 173.195 176.094 -0.216 0.000 1.157 146 V CA -2.481 59.770 62.300 -0.081 0.000 1.041 146 V CB 1.176 33.009 31.823 0.016 0.000 1.071 146 V HN 0.705 nan 8.190 nan 0.000 0.441 147 P HA 0.417 nan 4.420 nan 0.000 0.267 147 P C 0.902 177.703 177.300 -0.833 0.000 1.200 147 P CA 1.873 64.676 63.100 -0.496 0.000 0.772 147 P CB 0.887 32.294 31.700 -0.488 0.000 0.855 148 G N 1.700 109.654 108.800 -1.410 0.000 2.397 148 G HA2 -0.184 3.788 3.960 0.020 0.000 0.211 148 G HA3 -0.184 3.788 3.960 0.020 0.000 0.211 148 G C -0.097 174.394 174.900 -0.681 0.000 1.077 148 G CA 0.195 44.290 45.100 -1.676 0.000 0.649 148 G HN 0.704 nan 8.290 nan 0.000 0.511 149 D N 1.758 121.879 120.400 -0.465 0.000 2.358 149 D HA 0.483 5.135 4.640 0.020 0.000 0.244 149 D C 0.516 176.714 176.300 -0.170 0.000 1.163 149 D CA -0.688 53.164 54.000 -0.246 0.000 0.945 149 D CB 0.600 41.294 40.800 -0.177 0.000 1.152 149 D HN 0.188 nan 8.370 nan 0.000 0.451 150 I N 0.902 121.429 120.570 -0.072 0.000 2.371 150 I HA 0.202 4.384 4.170 0.020 0.000 0.290 150 I C 0.036 176.126 176.117 -0.044 0.000 1.028 150 I CA -0.808 60.482 61.300 -0.017 0.000 1.345 150 I CB 0.808 38.872 38.000 0.105 0.000 1.407 150 I HN 0.223 nan 8.210 nan 0.000 0.501 151 V N 6.669 126.539 119.914 -0.074 0.000 2.555 151 V HA 0.373 4.505 4.120 0.020 0.000 0.302 151 V C 0.039 176.063 176.094 -0.118 0.000 1.038 151 V CA -0.712 61.525 62.300 -0.107 0.000 0.887 151 V CB 2.391 34.153 31.823 -0.101 0.000 0.991 151 V HN 0.776 nan 8.190 nan 0.000 0.434 152 E N 3.791 123.890 120.200 -0.169 0.000 2.183 152 E HA 0.748 5.110 4.350 0.020 0.000 0.271 152 E C -1.491 175.038 176.600 -0.117 0.000 0.919 152 E CA -0.553 55.751 56.400 -0.159 0.000 0.781 152 E CB 2.123 31.665 29.700 -0.263 0.000 1.140 152 E HN 0.580 nan 8.360 nan 0.000 0.402 153 V N 0.107 119.971 119.914 -0.083 0.000 2.971 153 V HA 0.980 5.112 4.120 0.020 0.000 0.309 153 V C -0.909 175.160 176.094 -0.042 0.000 1.130 153 V CA -0.529 61.733 62.300 -0.063 0.000 0.964 153 V CB 1.061 32.849 31.823 -0.060 0.000 1.029 153 V HN 0.839 nan 8.190 nan 0.000 0.427 154 A N 2.177 124.979 122.820 -0.030 0.000 2.564 154 A HA 0.891 5.223 4.320 0.020 0.000 0.288 154 A C -0.279 177.306 177.584 0.001 0.000 1.164 154 A CA -0.664 51.368 52.037 -0.009 0.000 0.712 154 A CB 1.631 20.629 19.000 -0.003 0.000 1.303 154 A HN 1.918 nan 8.150 nan 0.000 0.418 155 V N 1.039 120.965 119.914 0.020 0.000 2.795 155 V HA 0.251 4.383 4.120 0.020 0.000 0.298 155 V C 1.660 177.767 176.094 0.022 0.000 1.107 155 V CA 2.074 64.390 62.300 0.027 0.000 1.270 155 V CB -0.854 31.001 31.823 0.054 0.000 0.831 155 V HN 2.422 nan 8.190 nan 0.000 0.473 156 G N 3.281 112.089 108.800 0.014 0.000 2.232 156 G HA2 -0.191 3.781 3.960 0.020 0.000 0.226 156 G HA3 -0.191 3.781 3.960 0.020 0.000 0.226 156 G C -0.027 174.874 174.900 0.003 0.000 0.996 156 G CA 0.056 45.163 45.100 0.012 0.000 0.626 156 G HN 0.683 nan 8.290 nan 0.000 0.509 157 D N 0.821 121.218 120.400 -0.004 0.000 2.368 157 D HA 0.414 5.066 4.640 0.020 0.000 0.240 157 D C 0.554 176.846 176.300 -0.013 0.000 1.169 157 D CA 0.228 54.220 54.000 -0.013 0.000 0.906 157 D CB 0.952 41.737 40.800 -0.024 0.000 1.187 157 D HN 0.465 nan 8.370 nan 0.000 0.435 158 K N 1.124 121.516 120.400 -0.014 0.000 2.211 158 K HA 0.255 4.587 4.320 0.020 0.000 0.275 158 K C -0.850 175.738 176.600 -0.019 0.000 1.024 158 K CA -0.678 55.602 56.287 -0.012 0.000 0.887 158 K CB 0.869 33.364 32.500 -0.008 0.000 1.084 158 K HN 0.098 nan 8.250 nan 0.000 0.463 159 V N 7.797 127.699 119.914 -0.019 0.000 2.475 159 V HA -0.014 4.118 4.120 0.020 0.000 0.292 159 V C -1.296 174.787 176.094 -0.020 0.000 1.003 159 V CA -0.704 61.579 62.300 -0.028 0.000 1.120 159 V CB 0.794 32.599 31.823 -0.030 0.000 0.937 159 V HN 0.861 nan 8.190 nan 0.000 0.476 160 P HA 0.193 nan 4.420 nan 0.000 0.234 160 P C 0.165 177.451 177.300 -0.023 0.000 1.175 160 P CA 0.830 63.915 63.100 -0.026 0.000 0.801 160 P CB 0.735 32.413 31.700 -0.037 0.000 0.891 161 A N -0.797 122.004 122.820 -0.032 0.000 2.583 161 A HA 0.500 4.831 4.320 0.020 0.000 0.289 161 A C -1.367 176.204 177.584 -0.022 0.000 1.151 161 A CA -0.590 51.430 52.037 -0.028 0.000 0.695 161 A CB 0.347 19.314 19.000 -0.054 0.000 1.290 161 A HN -0.227 nan 8.150 nan 0.000 0.419 162 D N 0.901 121.299 120.400 -0.004 0.000 2.339 162 D HA 0.481 5.133 4.640 0.020 0.000 0.256 162 D C -0.763 175.510 176.300 -0.045 0.000 1.214 162 D CA 1.048 55.061 54.000 0.021 0.000 0.877 162 D CB 0.528 41.377 40.800 0.081 0.000 1.111 162 D HN 0.364 nan 8.370 nan 0.000 0.478 163 I N 2.011 122.525 120.570 -0.094 0.000 2.582 163 I HA 0.207 4.389 4.170 0.020 0.000 0.292 163 I C 0.042 176.086 176.117 -0.121 0.000 1.066 163 I CA -1.025 60.209 61.300 -0.111 0.000 1.053 163 I CB 2.259 40.190 38.000 -0.115 0.000 1.241 163 I HN -0.038 nan 8.210 nan 0.000 0.421 164 R N 6.671 127.122 120.500 -0.081 0.000 2.210 164 R HA 0.452 4.804 4.340 0.020 0.000 0.338 164 R C -0.848 175.418 176.300 -0.057 0.000 1.062 164 R CA -0.280 55.787 56.100 -0.055 0.000 0.902 164 R CB -0.039 30.255 30.300 -0.010 0.000 1.050 164 R HN 0.486 nan 8.270 nan 0.000 0.461 165 I N 6.652 127.178 120.570 -0.074 0.000 2.668 165 I HA -0.116 4.066 4.170 0.020 0.000 0.285 165 I C 0.984 177.092 176.117 -0.015 0.000 1.168 165 I CA 0.314 61.581 61.300 -0.056 0.000 1.424 165 I CB 0.452 38.406 38.000 -0.077 0.000 1.377 165 I HN 0.629 nan 8.210 nan 0.000 0.560 166 L N 3.970 125.192 121.223 -0.002 0.000 2.286 166 L HA 0.163 4.515 4.340 0.020 0.000 0.203 166 L C 0.895 177.783 176.870 0.029 0.000 1.068 166 L CA 0.658 55.510 54.840 0.021 0.000 0.811 166 L CB 0.071 42.147 42.059 0.028 0.000 0.989 166 L HN 0.622 nan 8.230 nan 0.000 0.467 167 S N -0.160 115.557 115.700 0.027 0.000 2.668 167 S HA 0.487 4.969 4.470 0.020 0.000 0.277 167 S C -0.848 173.771 174.600 0.033 0.000 1.170 167 S CA -0.537 57.686 58.200 0.037 0.000 0.994 167 S CB 1.044 64.273 63.200 0.049 0.000 1.051 167 S HN 0.084 nan 8.310 nan 0.000 0.484 168 I N 6.053 126.645 120.570 0.036 0.000 2.287 168 I HA 0.264 4.446 4.170 0.020 0.000 0.290 168 I C 1.067 177.215 176.117 0.051 0.000 1.069 168 I CA -0.712 60.609 61.300 0.035 0.000 1.237 168 I CB 1.051 39.071 38.000 0.034 0.000 1.418 168 I HN 0.555 nan 8.210 nan 0.000 0.481 169 K N 3.096 123.527 120.400 0.053 0.000 2.032 169 K HA -0.076 4.256 4.320 0.020 0.000 0.209 169 K C 1.054 177.703 176.600 0.082 0.000 1.048 169 K CA 0.884 57.212 56.287 0.068 0.000 0.927 169 K CB -0.389 32.148 32.500 0.061 0.000 0.712 169 K HN 0.664 nan 8.250 nan 0.000 0.441 170 S N 0.135 115.881 115.700 0.077 0.000 2.624 170 S HA 0.092 4.573 4.470 0.020 0.000 0.263 170 S C 1.475 176.135 174.600 0.099 0.000 1.287 170 S CA -0.019 58.238 58.200 0.096 0.000 0.990 170 S CB 0.996 64.252 63.200 0.093 0.000 0.950 170 S HN 0.397 nan 8.310 nan 0.000 0.561 171 T N -2.394 112.236 114.554 0.128 0.000 2.881 171 T HA 0.030 4.392 4.350 0.020 0.000 0.270 171 T C 0.764 175.531 174.700 0.112 0.000 1.068 171 T CA 1.440 63.619 62.100 0.131 0.000 1.131 171 T CB -0.530 68.496 68.868 0.263 0.000 0.871 171 T HN 0.837 nan 8.240 nan 0.000 0.479 172 T N -0.167 114.451 114.554 0.106 0.000 2.932 172 T HA 0.554 4.915 4.350 0.020 0.000 0.318 172 T C -2.240 172.492 174.700 0.052 0.000 1.265 172 T CA -0.948 61.194 62.100 0.071 0.000 1.036 172 T CB 1.665 70.571 68.868 0.064 0.000 1.209 172 T HN 0.205 nan 8.240 nan 0.000 0.484 173 L N 4.265 125.505 121.223 0.030 0.000 2.319 173 L HA 0.685 5.037 4.340 0.020 0.000 0.281 173 L C -0.404 176.464 176.870 -0.003 0.000 1.005 173 L CA -0.239 54.607 54.840 0.010 0.000 0.828 173 L CB 0.964 43.018 42.059 -0.008 0.000 1.227 173 L HN 0.632 nan 8.230 nan 0.000 0.415 174 R N 4.221 124.720 120.500 -0.002 0.000 2.360 174 R HA 0.707 5.059 4.340 0.020 0.000 0.318 174 R C -1.381 174.910 176.300 -0.014 0.000 0.950 174 R CA -0.732 55.364 56.100 -0.008 0.000 0.837 174 R CB 1.956 32.255 30.300 -0.003 0.000 1.165 174 R HN 0.404 nan 8.270 nan 0.000 0.458 175 V N 2.004 121.906 119.914 -0.021 0.000 2.555 175 V HA 0.166 4.298 4.120 0.020 0.000 0.302 175 V C -0.380 175.711 176.094 -0.005 0.000 1.038 175 V CA -0.882 61.405 62.300 -0.021 0.000 0.887 175 V CB 2.016 33.813 31.823 -0.044 0.000 0.991 175 V HN 0.649 nan 8.190 nan 0.000 0.434 176 D N 3.705 124.105 120.400 0.001 0.000 2.313 176 D HA 0.356 5.008 4.640 0.020 0.000 0.239 176 D C 0.296 176.611 176.300 0.025 0.000 1.142 176 D CA -0.277 53.728 54.000 0.009 0.000 0.847 176 D CB 0.940 41.742 40.800 0.004 0.000 1.082 176 D HN 0.658 nan 8.370 nan 0.000 0.480 177 Q N 2.419 122.242 119.800 0.038 0.000 2.318 177 Q HA 0.259 4.611 4.340 0.020 0.000 0.371 177 Q C 0.187 176.207 176.000 0.033 0.000 0.896 177 Q CA -0.567 55.273 55.803 0.063 0.000 1.134 177 Q CB 0.626 29.449 28.738 0.141 0.000 1.329 177 Q HN 0.205 nan 8.270 nan 0.000 0.413 178 S N 0.818 116.527 115.700 0.015 0.000 2.383 178 S HA -0.089 4.393 4.470 0.020 0.000 0.227 178 S C 1.632 176.228 174.600 -0.007 0.000 1.026 178 S CA 0.634 58.834 58.200 0.001 0.000 0.981 178 S CB -0.103 63.095 63.200 -0.004 0.000 0.818 178 S HN 0.593 nan 8.310 nan 0.000 0.472 179 I N 0.416 120.984 120.570 -0.003 0.000 2.423 179 I HA -0.185 3.997 4.170 0.020 0.000 0.254 179 I C 1.676 177.779 176.117 -0.025 0.000 1.151 179 I CA 1.050 62.344 61.300 -0.011 0.000 1.421 179 I CB 0.046 38.044 38.000 -0.003 0.000 1.079 179 I HN 0.243 nan 8.210 nan 0.000 0.431 180 L N -0.389 120.817 121.223 -0.028 0.000 2.814 180 L HA -0.003 4.349 4.340 0.020 0.000 0.183 180 L C 2.531 179.356 176.870 -0.075 0.000 1.362 180 L CA 1.714 56.510 54.840 -0.074 0.000 1.674 180 L CB -0.823 41.161 42.059 -0.124 0.000 1.673 180 L HN 0.281 nan 8.230 nan 0.000 0.869 181 T N -1.798 112.710 114.554 -0.077 0.000 2.869 181 T HA -0.022 4.340 4.350 0.020 0.000 0.270 181 T C 1.463 176.140 174.700 -0.038 0.000 1.082 181 T CA 1.431 63.493 62.100 -0.063 0.000 1.123 181 T CB -0.835 68.013 68.868 -0.034 0.000 0.856 181 T HN 1.046 nan 8.240 nan 0.000 0.499 182 G N 0.957 109.741 108.800 -0.026 0.000 2.176 182 G HA2 -0.251 3.720 3.960 0.020 0.000 0.253 182 G HA3 -0.251 3.720 3.960 0.020 0.000 0.253 182 G C -0.188 174.705 174.900 -0.012 0.000 0.979 182 G CA 0.109 45.197 45.100 -0.020 0.000 0.641 182 G HN 0.712 nan 8.290 nan 0.000 0.530 183 E N 1.106 121.302 120.200 -0.007 0.000 2.606 183 E HA 0.282 4.644 4.350 0.020 0.000 0.248 183 E C 1.398 177.996 176.600 -0.003 0.000 1.005 183 E CA 0.376 56.775 56.400 -0.002 0.000 0.946 183 E CB 0.943 30.648 29.700 0.007 0.000 0.928 183 E HN 0.262 nan 8.360 nan 0.000 0.494 184 S N 3.065 118.761 115.700 -0.007 0.000 2.368 184 S HA -0.093 4.388 4.470 0.020 0.000 0.225 184 S C 0.867 175.462 174.600 -0.008 0.000 1.030 184 S CA 0.606 58.801 58.200 -0.009 0.000 0.999 184 S CB 0.325 63.518 63.200 -0.012 0.000 0.844 184 S HN 0.300 nan 8.310 nan 0.000 0.459 185 V N 2.377 122.286 119.914 -0.008 0.000 2.837 185 V HA 0.406 4.538 4.120 0.020 0.000 0.310 185 V C 0.298 176.389 176.094 -0.005 0.000 1.059 185 V CA -0.656 61.639 62.300 -0.009 0.000 1.004 185 V CB 1.544 33.360 31.823 -0.012 0.000 1.045 185 V HN 0.575 nan 8.190 nan 0.000 0.465 186 S N 2.445 118.141 115.700 -0.006 0.000 2.558 186 S HA 0.330 4.812 4.470 0.020 0.000 0.291 186 S C -0.214 174.384 174.600 -0.004 0.000 1.306 186 S CA -0.466 57.732 58.200 -0.005 0.000 1.056 186 S CB 0.594 63.789 63.200 -0.008 0.000 0.836 186 S HN 1.125 nan 8.310 nan 0.000 0.504 187 V N 0.326 120.238 119.914 -0.003 0.000 3.019 187 V HA 0.675 4.807 4.120 0.020 0.000 0.317 187 V C -0.026 176.061 176.094 -0.011 0.000 1.094 187 V CA -1.369 60.930 62.300 -0.003 0.000 1.000 187 V CB 1.062 32.888 31.823 0.004 0.000 1.060 187 V HN 0.911 nan 8.190 nan 0.000 0.443 188 I N 1.524 122.091 120.570 -0.006 0.000 2.677 188 I HA 0.545 4.727 4.170 0.020 0.000 0.305 188 I C 0.062 176.162 176.117 -0.029 0.000 0.988 188 I CA -0.665 60.633 61.300 -0.003 0.000 1.260 188 I CB 1.638 39.651 38.000 0.022 0.000 1.410 188 I HN 0.677 nan 8.210 nan 0.000 0.523 189 K N 2.408 122.786 120.400 -0.037 0.000 2.433 189 K HA 0.585 4.917 4.320 0.020 0.000 0.252 189 K C -1.212 175.361 176.600 -0.045 0.000 1.015 189 K CA -0.799 55.415 56.287 -0.122 0.000 0.860 189 K CB 2.236 34.650 32.500 -0.143 0.000 1.359 189 K HN 0.758 nan 8.250 nan 0.000 0.452 190 H N -3.642 115.415 119.070 -0.022 0.000 2.966 190 H HA 0.384 4.952 4.556 0.019 0.000 0.330 190 H C 0.165 175.487 175.328 -0.010 0.000 1.292 190 H CA -0.739 55.303 56.048 -0.011 0.000 1.127 190 H CB 0.682 30.441 29.762 -0.005 0.000 1.863 190 H HN 0.490 nan 8.280 nan 0.000 0.543 191 T N -2.695 111.989 114.554 0.217 0.000 3.069 191 T HA 0.158 4.520 4.350 0.020 0.000 0.252 191 T C 0.128 174.943 174.700 0.193 0.000 1.053 191 T CA -0.390 61.790 62.100 0.133 0.000 0.964 191 T CB -0.072 68.843 68.868 0.077 0.000 1.005 191 T HN 0.458 nan 8.240 nan 0.000 0.532 192 E N 3.502 123.922 120.200 0.366 0.000 2.366 192 E HA 0.283 4.645 4.350 0.020 0.000 0.266 192 E C -2.399 174.351 176.600 0.249 0.000 1.051 192 E CA -2.598 53.925 56.400 0.204 0.000 0.884 192 E CB 0.611 30.299 29.700 -0.020 0.000 1.006 192 E HN 0.275 nan 8.360 nan 0.000 0.417 193 P HA 0.055 nan 4.420 nan 0.000 0.274 193 P C -0.302 177.096 177.300 0.164 0.000 1.231 193 P CA -0.314 62.870 63.100 0.140 0.000 0.790 193 P CB 0.670 32.422 31.700 0.086 0.000 0.951 194 V N -1.035 118.993 119.914 0.190 0.000 2.305 194 V HA 0.279 4.411 4.120 0.020 0.000 0.275 194 V C -1.972 174.224 176.094 0.171 0.000 1.020 194 V CA -2.258 60.156 62.300 0.189 0.000 0.811 194 V CB 0.797 32.742 31.823 0.204 0.000 1.031 194 V HN 0.248 nan 8.190 nan 0.000 0.439 195 P HA -0.208 nan 4.420 nan 0.000 0.217 195 P C 0.639 177.978 177.300 0.066 0.000 1.162 195 P CA 1.477 64.614 63.100 0.062 0.000 0.901 195 P CB 0.057 31.786 31.700 0.047 0.000 0.793 196 D N -0.536 119.923 120.400 0.098 0.000 2.359 196 D HA -0.015 4.637 4.640 0.020 0.000 0.273 196 D C -1.550 174.831 176.300 0.135 0.000 1.362 196 D CA -1.177 52.879 54.000 0.095 0.000 1.010 196 D CB 0.236 41.088 40.800 0.088 0.000 1.090 196 D HN 0.125 nan 8.370 nan 0.000 0.521 197 P HA -0.088 nan 4.420 nan 0.000 0.236 197 P C 1.099 178.462 177.300 0.105 0.000 1.172 197 P CA 0.378 63.502 63.100 0.040 0.000 0.759 197 P CB 0.167 31.857 31.700 -0.017 0.000 0.843 198 R N 0.142 120.701 120.500 0.099 0.000 2.206 198 R HA 0.208 4.560 4.340 0.020 0.000 0.198 198 R C 0.676 177.027 176.300 0.084 0.000 0.986 198 R CA 0.440 56.587 56.100 0.079 0.000 1.029 198 R CB -0.844 29.485 30.300 0.049 0.000 0.966 198 R HN -0.032 nan 8.270 nan 0.000 0.487 199 A N 2.490 125.372 122.820 0.104 0.000 2.613 199 A HA 0.179 4.510 4.320 0.020 0.000 0.230 199 A C 0.786 178.382 177.584 0.020 0.000 1.051 199 A CA 0.438 52.512 52.037 0.062 0.000 0.754 199 A CB -0.035 19.009 19.000 0.073 0.000 0.979 199 A HN 0.324 nan 8.150 nan 0.000 0.510 200 V N 1.376 121.289 119.914 -0.002 0.000 3.051 200 V HA 0.133 4.265 4.120 0.020 0.000 0.306 200 V C 1.276 177.342 176.094 -0.047 0.000 1.083 200 V CA -0.326 61.955 62.300 -0.031 0.000 1.104 200 V CB 0.166 31.972 31.823 -0.029 0.000 1.027 200 V HN 0.885 nan 8.190 nan 0.000 0.483 201 N N 1.855 120.497 118.700 -0.096 0.000 2.049 201 N HA -0.267 4.485 4.740 0.020 0.000 0.198 201 N C 1.615 177.165 175.510 0.067 0.000 1.030 201 N CA 2.233 55.225 53.050 -0.097 0.000 0.870 201 N CB -0.531 37.689 38.487 -0.445 0.000 1.045 201 N HN 0.865 nan 8.380 nan 0.000 0.434 202 Q N 0.483 120.291 119.800 0.013 0.000 2.268 202 Q HA -0.119 4.233 4.340 0.020 0.000 0.210 202 Q C 0.902 176.930 176.000 0.047 0.000 0.988 202 Q CA 1.295 57.125 55.803 0.045 0.000 0.883 202 Q CB -0.058 28.687 28.738 0.012 0.000 0.911 202 Q HN 0.426 nan 8.270 nan 0.000 0.430 203 D N -0.462 119.955 120.400 0.029 0.000 2.366 203 D HA 0.003 4.655 4.640 0.020 0.000 0.205 203 D C -0.037 176.263 176.300 -0.000 0.000 1.022 203 D CA 0.321 54.334 54.000 0.022 0.000 0.868 203 D CB 0.144 40.957 40.800 0.021 0.000 0.953 203 D HN 0.175 nan 8.370 nan 0.000 0.514 204 K N 1.584 121.973 120.400 -0.019 0.000 2.989 204 K HA 0.068 4.400 4.320 0.020 0.000 0.264 204 K C 0.527 177.042 176.600 -0.142 0.000 1.228 204 K CA 0.117 56.338 56.287 -0.109 0.000 1.186 204 K CB -0.082 32.347 32.500 -0.119 0.000 1.409 204 K HN 0.003 nan 8.250 nan 0.000 0.271 205 K N 1.474 121.782 120.400 -0.153 0.000 2.668 205 K HA -0.052 4.280 4.320 0.020 0.000 0.204 205 K C 0.526 176.804 176.600 -0.537 0.000 1.016 205 K CA 0.311 56.429 56.287 -0.281 0.000 1.131 205 K CB -0.172 32.214 32.500 -0.190 0.000 0.891 205 K HN 0.373 nan 8.250 nan 0.000 0.499 206 N N -0.446 118.023 118.700 -0.385 0.000 2.240 206 N HA 0.061 4.813 4.740 0.020 0.000 0.240 206 N C -0.299 175.072 175.510 -0.232 0.000 1.277 206 N CA -0.177 52.685 53.050 -0.314 0.000 0.873 206 N CB 0.487 38.867 38.487 -0.178 0.000 1.222 206 N HN -0.099 nan 8.380 nan 0.000 0.507 207 M N 0.697 120.096 119.600 -0.335 0.000 2.662 207 M HA 0.506 4.998 4.480 0.020 0.000 0.310 207 M C -1.046 174.862 176.300 -0.654 0.000 1.204 207 M CA -0.557 54.486 55.300 -0.428 0.000 0.891 207 M CB 2.316 34.652 32.600 -0.440 0.000 1.732 207 M HN -0.068 nan 8.290 nan 0.000 0.467 208 L N 2.030 122.908 121.223 -0.575 0.000 2.376 208 L HA 0.510 4.862 4.340 0.020 0.000 0.275 208 L C -1.305 175.292 176.870 -0.456 0.000 0.987 208 L CA -0.486 54.041 54.840 -0.522 0.000 0.828 208 L CB 1.450 43.356 42.059 -0.255 0.000 1.249 208 L HN 0.446 nan 8.230 nan 0.000 0.409 209 F N 1.051 120.970 119.950 -0.051 0.000 2.420 209 F HA 0.219 4.758 4.527 0.020 0.000 0.352 209 F C 1.190 176.966 175.800 -0.041 0.000 1.108 209 F CA -0.451 57.521 58.000 -0.046 0.000 1.162 209 F CB 1.310 40.282 39.000 -0.046 0.000 1.118 209 F HN 0.377 nan 8.300 nan 0.000 0.510 210 S N 2.463 118.244 115.700 0.135 0.000 2.673 210 S HA 0.310 4.792 4.470 0.020 0.000 0.308 210 S C 1.156 175.796 174.600 0.066 0.000 1.246 210 S CA 1.017 59.255 58.200 0.062 0.000 1.077 210 S CB -0.392 62.834 63.200 0.043 0.000 0.814 210 S HN 1.268 nan 8.310 nan 0.000 0.503 211 G N 3.059 111.881 108.800 0.038 0.000 2.195 211 G HA2 -0.245 3.727 3.960 0.020 0.000 0.224 211 G HA3 -0.245 3.727 3.960 0.020 0.000 0.224 211 G C 0.276 175.197 174.900 0.035 0.000 0.990 211 G CA 0.377 45.495 45.100 0.029 0.000 0.639 211 G HN 1.359 nan 8.290 nan 0.000 0.514 212 T N -0.702 113.884 114.554 0.053 0.000 2.788 212 T HA 0.617 4.978 4.350 0.020 0.000 0.280 212 T C -0.055 174.654 174.700 0.015 0.000 0.984 212 T CA -0.176 61.951 62.100 0.045 0.000 0.972 212 T CB 1.645 70.559 68.868 0.077 0.000 1.039 212 T HN 0.159 nan 8.240 nan 0.000 0.530 213 N N -0.037 118.668 118.700 0.009 0.000 2.321 213 N HA 0.476 5.228 4.740 0.020 0.000 0.299 213 N C -1.112 174.394 175.510 -0.007 0.000 1.048 213 N CA -0.776 52.273 53.050 -0.001 0.000 0.836 213 N CB 1.257 39.745 38.487 0.001 0.000 1.269 213 N HN 0.545 nan 8.380 nan 0.000 0.486 214 I N 1.733 122.296 120.570 -0.012 0.000 2.436 214 I HA 0.114 4.296 4.170 0.020 0.000 0.289 214 I C 1.331 177.447 176.117 -0.002 0.000 1.083 214 I CA 0.171 61.464 61.300 -0.013 0.000 1.372 214 I CB 0.842 38.832 38.000 -0.016 0.000 1.408 214 I HN 0.706 nan 8.210 nan 0.000 0.516 215 A N 5.453 128.272 122.820 -0.002 0.000 2.044 215 A HA 0.710 5.042 4.320 0.020 0.000 0.213 215 A C 0.890 178.478 177.584 0.008 0.000 1.169 215 A CA 0.877 52.915 52.037 0.002 0.000 0.724 215 A CB 0.081 19.079 19.000 -0.003 0.000 0.840 215 A HN 0.719 nan 8.150 nan 0.000 0.463 216 A N -2.153 120.672 122.820 0.009 0.000 2.540 216 A HA 0.632 4.964 4.320 0.020 0.000 0.297 216 A C 0.410 178.010 177.584 0.028 0.000 1.056 216 A CA 0.189 52.239 52.037 0.021 0.000 0.700 216 A CB 0.096 19.106 19.000 0.015 0.000 1.280 216 A HN 2.107 nan 8.150 nan 0.000 0.398 217 G N 0.759 109.587 108.800 0.046 0.000 2.508 217 G HA2 0.269 4.241 3.960 0.020 0.000 0.220 217 G HA3 0.269 4.241 3.960 0.020 0.000 0.220 217 G C -0.267 174.656 174.900 0.039 0.000 1.287 217 G CA 0.356 45.488 45.100 0.054 0.000 0.916 217 G HN 1.804 nan 8.290 nan 0.000 0.574 218 K N -0.827 119.593 120.400 0.033 0.000 2.598 218 K HA 0.711 5.043 4.320 0.020 0.000 0.271 218 K C -0.751 175.857 176.600 0.013 0.000 0.947 218 K CA 0.034 56.332 56.287 0.019 0.000 0.854 218 K CB 1.344 33.861 32.500 0.029 0.000 1.401 218 K HN 2.354 nan 8.250 nan 0.000 0.415 219 A N 2.425 125.242 122.820 -0.005 0.000 2.610 219 A HA 0.759 5.091 4.320 0.020 0.000 0.291 219 A C -2.247 175.327 177.584 -0.017 0.000 1.086 219 A CA -0.715 51.319 52.037 -0.006 0.000 0.677 219 A CB 1.327 20.316 19.000 -0.019 0.000 1.278 219 A HN 0.373 nan 8.150 nan 0.000 0.414 220 L N 0.147 121.369 121.223 -0.002 0.000 2.354 220 L HA 0.896 5.248 4.340 0.020 0.000 0.269 220 L C 0.659 177.524 176.870 -0.008 0.000 1.005 220 L CA 0.430 55.270 54.840 0.000 0.000 0.819 220 L CB 2.018 44.112 42.059 0.058 0.000 1.311 220 L HN 1.296 nan 8.230 nan 0.000 0.423 221 G N 1.379 110.164 108.800 -0.025 0.000 2.663 221 G HA2 0.647 4.619 3.960 0.020 0.000 0.299 221 G HA3 0.647 4.619 3.960 0.020 0.000 0.299 221 G C -2.011 172.858 174.900 -0.051 0.000 1.372 221 G CA -0.461 44.617 45.100 -0.037 0.000 0.781 221 G HN 0.594 nan 8.290 nan 0.000 0.491 222 I N 0.310 120.839 120.570 -0.068 0.000 2.509 222 I HA 0.587 4.769 4.170 0.020 0.000 0.293 222 I C -0.599 175.417 176.117 -0.168 0.000 1.020 222 I CA -1.041 60.189 61.300 -0.117 0.000 1.088 222 I CB 2.014 39.967 38.000 -0.079 0.000 1.267 222 I HN 0.265 nan 8.210 nan 0.000 0.430 223 V N 8.474 128.232 119.914 -0.260 0.000 2.439 223 V HA 0.204 4.336 4.120 0.020 0.000 0.271 223 V C 1.087 177.001 176.094 -0.301 0.000 1.040 223 V CA 0.615 62.762 62.300 -0.254 0.000 1.002 223 V CB 0.440 32.104 31.823 -0.264 0.000 1.000 223 V HN 0.987 nan 8.190 nan 0.000 0.477 224 A N 5.000 127.728 122.820 -0.154 0.000 1.844 224 A HA 0.174 4.506 4.320 0.020 0.000 0.212 224 A C 1.102 178.630 177.584 -0.094 0.000 1.221 224 A CA 1.231 53.223 52.037 -0.075 0.000 0.607 224 A CB -0.092 18.901 19.000 -0.013 0.000 0.878 224 A HN 0.757 nan 8.150 nan 0.000 0.451 225 T N -1.465 113.041 114.554 -0.081 0.000 2.893 225 T HA 0.583 4.945 4.350 0.020 0.000 0.291 225 T C -0.243 174.411 174.700 -0.077 0.000 1.028 225 T CA -0.049 62.001 62.100 -0.082 0.000 0.995 225 T CB 1.619 70.475 68.868 -0.020 0.000 1.051 225 T HN 0.623 nan 8.240 nan 0.000 0.470 226 T N -1.633 112.875 114.554 -0.077 0.000 2.807 226 T HA 0.811 5.173 4.350 0.020 0.000 0.277 226 T C 1.095 175.797 174.700 0.002 0.000 1.006 226 T CA 0.002 62.080 62.100 -0.037 0.000 1.006 226 T CB 1.016 69.860 68.868 -0.040 0.000 1.274 226 T HN 1.625 nan 8.240 nan 0.000 0.569 227 G N 0.142 108.954 108.800 0.020 0.000 2.672 227 G HA2 -0.319 3.653 3.960 0.020 0.000 0.324 227 G HA3 -0.319 3.653 3.960 0.020 0.000 0.324 227 G C 1.019 175.935 174.900 0.027 0.000 1.286 227 G CA 1.220 46.341 45.100 0.035 0.000 1.004 227 G HN 1.479 nan 8.290 nan 0.000 0.548 228 V N 0.778 120.711 119.914 0.033 0.000 2.488 228 V HA -0.044 4.087 4.120 0.020 0.000 0.246 228 V C 2.771 178.878 176.094 0.022 0.000 1.046 228 V CA 2.563 64.878 62.300 0.025 0.000 1.053 228 V CB -0.428 31.411 31.823 0.027 0.000 0.679 228 V HN 0.712 nan 8.190 nan 0.000 0.458 229 S N -0.155 115.563 115.700 0.030 0.000 2.693 229 S HA -0.064 4.418 4.470 0.020 0.000 0.243 229 S C 0.872 175.483 174.600 0.019 0.000 0.973 229 S CA 0.470 58.687 58.200 0.027 0.000 0.969 229 S CB -0.696 62.524 63.200 0.034 0.000 0.771 229 S HN 0.636 nan 8.310 nan 0.000 0.542 230 T N 2.451 117.014 114.554 0.015 0.000 2.889 230 T HA 0.135 4.497 4.350 0.020 0.000 0.291 230 T C 1.166 175.867 174.700 0.000 0.000 0.995 230 T CA -0.573 61.537 62.100 0.017 0.000 1.092 230 T CB 0.969 69.847 68.868 0.017 0.000 0.954 230 T HN 0.070 nan 8.240 nan 0.000 0.506 231 E N 1.632 121.830 120.200 -0.003 0.000 2.171 231 E HA -0.129 4.233 4.350 0.020 0.000 0.197 231 E C 1.629 178.171 176.600 -0.097 0.000 0.997 231 E CA 1.117 57.466 56.400 -0.085 0.000 0.810 231 E CB 0.027 29.601 29.700 -0.210 0.000 0.738 231 E HN 0.618 nan 8.360 nan 0.000 0.467 232 I N -0.720 119.818 120.570 -0.053 0.000 3.783 232 I HA 0.036 4.218 4.170 0.020 0.000 0.310 232 I C 1.828 177.928 176.117 -0.028 0.000 1.274 232 I CA 0.454 61.726 61.300 -0.047 0.000 1.294 232 I CB 0.163 38.148 38.000 -0.024 0.000 1.051 232 I HN 0.001 nan 8.210 nan 0.000 0.435 233 G N 0.958 109.749 108.800 -0.016 0.000 2.430 233 G HA2 -0.161 3.811 3.960 0.020 0.000 0.216 233 G HA3 -0.161 3.811 3.960 0.020 0.000 0.216 233 G C 1.574 176.467 174.900 -0.011 0.000 1.146 233 G CA 0.269 45.364 45.100 -0.008 0.000 0.793 233 G HN 0.312 nan 8.290 nan 0.000 0.537 234 K N 0.322 120.712 120.400 -0.017 0.000 2.057 234 K HA 0.095 4.427 4.320 0.020 0.000 0.206 234 K C 2.051 178.637 176.600 -0.024 0.000 1.050 234 K CA 0.950 57.226 56.287 -0.017 0.000 0.935 234 K CB -0.200 32.288 32.500 -0.021 0.000 0.715 234 K HN 0.334 nan 8.250 nan 0.000 0.439 235 I N 1.036 121.585 120.570 -0.034 0.000 3.564 235 I HA -0.036 4.145 4.170 0.020 0.000 0.294 235 I C 2.370 178.468 176.117 -0.031 0.000 1.289 235 I CA 0.116 61.394 61.300 -0.037 0.000 1.325 235 I CB -0.285 37.685 38.000 -0.051 0.000 1.039 235 I HN 0.137 nan 8.210 nan 0.000 0.474 236 R N 1.903 122.387 120.500 -0.026 0.000 2.103 236 R HA -0.225 4.127 4.340 0.020 0.000 0.234 236 R C 1.883 178.168 176.300 -0.025 0.000 1.132 236 R CA 2.326 58.411 56.100 -0.024 0.000 0.925 236 R CB -0.233 30.055 30.300 -0.020 0.000 0.842 236 R HN 0.232 nan 8.270 nan 0.000 0.430 237 D N 0.934 121.320 120.400 -0.022 0.000 2.170 237 D HA -0.186 4.465 4.640 0.020 0.000 0.193 237 D C 0.186 176.471 176.300 -0.024 0.000 1.004 237 D CA 1.211 55.198 54.000 -0.023 0.000 0.860 237 D CB -0.262 40.526 40.800 -0.019 0.000 0.931 237 D HN 0.480 nan 8.370 nan 0.000 0.448 238 Q N 0.813 120.599 119.800 -0.024 0.000 2.256 238 Q HA 0.040 4.392 4.340 0.020 0.000 0.281 238 Q C 0.693 176.678 176.000 -0.024 0.000 1.162 238 Q CA -0.487 55.302 55.803 -0.023 0.000 0.943 238 Q CB 0.615 29.339 28.738 -0.024 0.000 1.195 238 Q HN 0.111 nan 8.270 nan 0.000 0.403 239 M N 2.198 121.785 119.600 -0.022 0.000 4.483 239 M HA -0.347 4.145 4.480 0.020 0.000 0.069 239 M C -0.192 176.095 176.300 -0.022 0.000 0.775 239 M CA 2.294 57.581 55.300 -0.021 0.000 0.783 239 M CB -0.314 32.275 32.600 -0.018 0.000 0.435 239 M HN 0.961 nan 8.290 nan 0.000 0.150 240 A N -1.235 121.573 122.820 -0.019 0.000 2.244 240 A HA 0.251 4.583 4.320 0.020 0.000 0.605 240 A C 0.257 177.829 177.584 -0.019 0.000 0.381 240 A CA 0.318 52.344 52.037 -0.019 0.000 0.288 240 A CB -2.031 16.957 19.000 -0.020 0.000 3.501 240 A HN 2.127 nan 8.150 nan 0.000 0.485 241 A N 3.610 126.420 122.820 -0.017 0.000 2.711 241 A HA 0.436 4.768 4.320 0.020 0.000 0.242 241 A C 1.494 179.068 177.584 -0.018 0.000 1.607 241 A CA 1.153 53.179 52.037 -0.018 0.000 1.370 241 A CB -1.109 17.882 19.000 -0.015 0.000 0.934 241 A HN 1.654 nan 8.150 nan 0.000 0.628 242 T N 0.581 115.124 114.554 -0.019 0.000 3.118 242 T HA -0.076 4.286 4.350 0.020 0.000 0.269 242 T C 0.335 175.024 174.700 -0.019 0.000 1.166 242 T CA 1.053 63.142 62.100 -0.019 0.000 1.073 242 T CB -0.363 68.493 68.868 -0.020 0.000 0.884 242 T HN 0.731 nan 8.240 nan 0.000 0.550 243 E N 2.311 122.499 120.200 -0.020 0.000 2.217 243 E HA 0.248 4.610 4.350 0.020 0.000 0.279 243 E C 0.578 177.167 176.600 -0.018 0.000 1.068 243 E CA -0.252 56.136 56.400 -0.021 0.000 0.882 243 E CB 0.403 30.089 29.700 -0.023 0.000 1.039 243 E HN 0.444 nan 8.360 nan 0.000 0.418 244 Q N 2.129 121.918 119.800 -0.018 0.000 3.742 244 Q HA -0.089 4.263 4.340 0.020 0.000 0.204 244 Q C 0.098 176.090 176.000 -0.013 0.000 1.235 244 Q CA 1.386 57.179 55.803 -0.015 0.000 1.354 244 Q CB 0.033 28.762 28.738 -0.016 0.000 1.501 244 Q HN 0.646 nan 8.270 nan 0.000 0.736 245 D N -1.512 118.881 120.400 -0.011 0.000 2.489 245 D HA 0.296 4.948 4.640 0.020 0.000 0.232 245 D C -0.943 175.351 176.300 -0.010 0.000 1.230 245 D CA -0.853 53.141 54.000 -0.009 0.000 1.101 245 D CB 0.170 40.967 40.800 -0.005 0.000 1.198 245 D HN 0.429 nan 8.370 nan 0.000 0.611 246 K N -0.204 120.192 120.400 -0.006 0.000 2.118 246 K HA 0.425 4.757 4.320 0.020 0.000 0.267 246 K C -0.011 176.586 176.600 -0.005 0.000 0.991 246 K CA -0.805 55.478 56.287 -0.006 0.000 0.916 246 K CB 0.946 33.445 32.500 -0.002 0.000 1.041 246 K HN 0.519 nan 8.250 nan 0.000 0.455 247 T N -1.206 113.344 114.554 -0.008 0.000 2.856 247 T HA 0.093 4.455 4.350 0.020 0.000 0.306 247 T C -1.760 172.942 174.700 0.004 0.000 1.062 247 T CA -1.437 60.659 62.100 -0.006 0.000 1.083 247 T CB 0.626 69.487 68.868 -0.011 0.000 0.984 247 T HN 0.323 nan 8.240 nan 0.000 0.542 248 P HA -0.058 nan 4.420 nan 0.000 0.217 248 P C 1.518 178.836 177.300 0.031 0.000 1.148 248 P CA 0.465 63.574 63.100 0.016 0.000 0.828 248 P CB -0.024 31.682 31.700 0.010 0.000 0.783 249 L N -0.719 120.524 121.223 0.033 0.000 2.179 249 L HA -0.042 4.310 4.340 0.020 0.000 0.208 249 L C 2.397 179.287 176.870 0.034 0.000 1.096 249 L CA 1.626 56.499 54.840 0.055 0.000 0.779 249 L CB -0.937 41.167 42.059 0.075 0.000 0.922 249 L HN -0.120 nan 8.230 nan 0.000 0.443 250 Q N -0.993 118.816 119.800 0.015 0.000 2.167 250 Q HA -0.226 4.126 4.340 0.020 0.000 0.202 250 Q C 2.017 178.031 176.000 0.023 0.000 0.970 250 Q CA 1.660 57.466 55.803 0.006 0.000 0.855 250 Q CB 0.066 28.800 28.738 -0.006 0.000 0.911 250 Q HN 0.646 nan 8.270 nan 0.000 0.438 251 Q N -0.595 119.223 119.800 0.029 0.000 2.354 251 Q HA -0.077 4.275 4.340 0.020 0.000 0.203 251 Q C 1.680 177.714 176.000 0.057 0.000 0.933 251 Q CA 0.778 56.603 55.803 0.037 0.000 0.901 251 Q CB 0.211 28.966 28.738 0.029 0.000 1.007 251 Q HN 0.072 nan 8.270 nan 0.000 0.495 252 K N 1.087 121.525 120.400 0.063 0.000 2.057 252 K HA -0.074 4.258 4.320 0.020 0.000 0.206 252 K C 1.684 178.354 176.600 0.116 0.000 1.050 252 K CA 1.049 57.388 56.287 0.086 0.000 0.935 252 K CB 0.038 32.589 32.500 0.086 0.000 0.715 252 K HN 0.108 nan 8.250 nan 0.000 0.439 253 L N 0.172 121.450 121.223 0.091 0.000 2.131 253 L HA -0.065 4.287 4.340 0.020 0.000 0.206 253 L C 1.971 178.944 176.870 0.171 0.000 1.087 253 L CA 1.087 56.002 54.840 0.126 0.000 0.767 253 L CB -0.530 41.558 42.059 0.049 0.000 0.917 253 L HN 0.249 nan 8.230 nan 0.000 0.441 254 D N 0.542 121.005 120.400 0.105 0.000 2.133 254 D HA -0.278 4.374 4.640 0.020 0.000 0.195 254 D C 2.138 178.496 176.300 0.096 0.000 0.997 254 D CA 1.364 55.415 54.000 0.086 0.000 0.840 254 D CB 0.157 40.990 40.800 0.054 0.000 0.947 254 D HN 0.285 nan 8.370 nan 0.000 0.452 255 E N -1.461 118.805 120.200 0.110 0.000 2.285 255 E HA -0.124 4.238 4.350 0.020 0.000 0.194 255 E C 1.788 178.460 176.600 0.120 0.000 0.997 255 E CA 0.150 56.607 56.400 0.095 0.000 0.845 255 E CB -0.168 29.585 29.700 0.089 0.000 0.782 255 E HN 0.387 nan 8.360 nan 0.000 0.491 256 F N 0.353 120.324 119.950 0.035 0.000 2.259 256 F HA 0.124 4.663 4.527 0.020 0.000 0.298 256 F C 1.909 177.728 175.800 0.032 0.000 1.088 256 F CA 1.635 59.658 58.000 0.038 0.000 1.358 256 F CB -0.197 38.832 39.000 0.048 0.000 1.040 256 F HN 0.012 nan 8.300 nan 0.000 0.505 257 G N -0.638 108.218 108.800 0.093 0.000 2.511 257 G HA2 -0.188 3.783 3.960 0.020 0.000 0.217 257 G HA3 -0.188 3.783 3.960 0.020 0.000 0.217 257 G C 1.364 176.231 174.900 -0.054 0.000 1.133 257 G CA 0.722 45.821 45.100 -0.002 0.000 0.792 257 G HN 0.412 nan 8.290 nan 0.000 0.539 258 E N 1.489 121.673 120.200 -0.027 0.000 2.028 258 E HA -0.180 4.182 4.350 0.020 0.000 0.191 258 E C 2.514 179.075 176.600 -0.064 0.000 0.988 258 E CA 1.607 57.991 56.400 -0.027 0.000 0.799 258 E CB -0.356 29.345 29.700 0.001 0.000 0.755 258 E HN 0.631 nan 8.360 nan 0.000 0.447 259 Q N -0.456 119.283 119.800 -0.101 0.000 2.444 259 Q HA 0.013 4.365 4.340 0.020 0.000 0.206 259 Q C 1.361 177.248 176.000 -0.188 0.000 0.948 259 Q CA 0.202 55.934 55.803 -0.118 0.000 0.946 259 Q CB 0.181 28.862 28.738 -0.094 0.000 1.027 259 Q HN 0.241 nan 8.270 nan 0.000 0.513 260 L N 0.660 121.734 121.223 -0.249 0.000 2.477 260 L HA 0.079 4.431 4.340 0.020 0.000 0.220 260 L C 2.325 179.116 176.870 -0.132 0.000 1.106 260 L CA 1.149 55.839 54.840 -0.251 0.000 0.851 260 L CB -0.071 41.776 42.059 -0.352 0.000 0.994 260 L HN 0.327 nan 8.230 nan 0.000 0.462 261 S N -0.645 114.999 115.700 -0.093 0.000 2.382 261 S HA -0.209 4.273 4.470 0.020 0.000 0.228 261 S C 2.017 176.590 174.600 -0.045 0.000 1.027 261 S CA 1.327 59.494 58.200 -0.054 0.000 0.991 261 S CB 0.002 63.182 63.200 -0.033 0.000 0.823 261 S HN 0.452 nan 8.310 nan 0.000 0.469 262 K N 0.474 120.844 120.400 -0.049 0.000 1.965 262 K HA -0.039 4.293 4.320 0.020 0.000 0.214 262 K C 2.128 178.711 176.600 -0.028 0.000 1.046 262 K CA 1.655 57.922 56.287 -0.033 0.000 0.944 262 K CB -0.922 31.558 32.500 -0.033 0.000 0.726 262 K HN 0.231 nan 8.250 nan 0.000 0.441 263 V N 1.943 121.832 119.914 -0.042 0.000 2.317 263 V HA -0.291 3.841 4.120 0.020 0.000 0.251 263 V C 2.253 178.333 176.094 -0.023 0.000 1.065 263 V CA 1.807 64.093 62.300 -0.025 0.000 1.049 263 V CB -0.478 31.323 31.823 -0.037 0.000 0.651 263 V HN 0.300 nan 8.190 nan 0.000 0.450 264 I N -0.666 119.877 120.570 -0.046 0.000 2.162 264 I HA -0.199 3.983 4.170 0.020 0.000 0.238 264 I C 2.721 178.822 176.117 -0.027 0.000 1.076 264 I CA 1.638 62.908 61.300 -0.049 0.000 1.353 264 I CB -0.510 37.451 38.000 -0.064 0.000 1.063 264 I HN 0.302 nan 8.210 nan 0.000 0.408 265 S N 0.999 116.687 115.700 -0.021 0.000 2.380 265 S HA -0.214 4.268 4.470 0.020 0.000 0.229 265 S C 2.027 176.637 174.600 0.017 0.000 1.043 265 S CA 1.588 59.785 58.200 -0.006 0.000 1.038 265 S CB -0.384 62.812 63.200 -0.007 0.000 0.872 265 S HN 0.275 nan 8.310 nan 0.000 0.456 266 L N 0.733 121.970 121.223 0.025 0.000 1.988 266 L HA -0.061 4.291 4.340 0.020 0.000 0.207 266 L C 2.420 179.348 176.870 0.096 0.000 1.071 266 L CA 1.555 56.429 54.840 0.056 0.000 0.744 266 L CB -0.651 41.440 42.059 0.053 0.000 0.893 266 L HN 0.337 nan 8.230 nan 0.000 0.433 267 I N -0.728 119.890 120.570 0.080 0.000 2.381 267 I HA -0.388 3.794 4.170 0.020 0.000 0.255 267 I C 2.621 178.796 176.117 0.096 0.000 1.140 267 I CA 0.940 62.301 61.300 0.100 0.000 1.404 267 I CB -0.387 37.590 38.000 -0.037 0.000 1.075 267 I HN 0.477 nan 8.210 nan 0.000 0.433 268 C N -0.056 119.281 119.300 0.061 0.000 2.762 268 C HA -0.109 4.363 4.460 0.020 0.000 0.288 268 C C 2.800 177.892 174.990 0.171 0.000 1.272 268 C CA 0.646 59.710 59.018 0.076 0.000 1.729 268 C CB -0.626 27.126 27.740 0.021 0.000 2.135 268 C HN 0.329 nan 8.230 nan 0.000 0.482 269 V N 1.923 121.920 119.914 0.137 0.000 2.357 269 V HA -0.338 3.794 4.120 0.020 0.000 0.257 269 V C 2.535 178.798 176.094 0.281 0.000 1.082 269 V CA 2.367 64.770 62.300 0.171 0.000 1.078 269 V CB -1.535 30.336 31.823 0.080 0.000 0.663 269 V HN 0.679 nan 8.190 nan 0.000 0.455 270 A N -0.047 122.928 122.820 0.258 0.000 1.842 270 A HA -0.237 4.095 4.320 0.020 0.000 0.217 270 A C 2.390 180.191 177.584 0.362 0.000 1.206 270 A CA 2.598 54.818 52.037 0.306 0.000 0.630 270 A CB -1.061 18.178 19.000 0.399 0.000 0.839 270 A HN 0.330 nan 8.150 nan 0.000 0.447 271 V N -2.027 118.168 119.914 0.469 0.000 2.313 271 V HA -0.330 3.802 4.120 0.020 0.000 0.253 271 V C 2.204 178.523 176.094 0.374 0.000 1.070 271 V CA 2.378 64.953 62.300 0.458 0.000 1.057 271 V CB -1.072 30.972 31.823 0.368 0.000 0.653 271 V HN 0.829 nan 8.190 nan 0.000 0.450 272 W N -0.133 121.293 121.300 0.210 0.000 2.350 272 W HA -0.171 4.500 4.660 0.020 0.000 0.289 272 W C 2.070 178.653 176.519 0.106 0.000 1.215 272 W CA 1.688 59.149 57.345 0.193 0.000 1.236 272 W CB -0.046 29.524 29.460 0.184 0.000 1.130 272 W HN 0.178 nan 8.180 nan 0.000 0.541 273 L N -0.386 121.019 121.223 0.304 0.000 2.116 273 L HA -0.097 4.255 4.340 0.020 0.000 0.200 273 L C 2.381 179.230 176.870 -0.035 0.000 1.084 273 L CA 0.980 55.885 54.840 0.109 0.000 0.766 273 L CB -1.022 41.171 42.059 0.223 0.000 0.930 273 L HN -0.164 nan 8.230 nan 0.000 0.453 274 I N 0.399 120.976 120.570 0.012 0.000 2.462 274 I HA -0.341 3.841 4.170 0.020 0.000 0.259 274 I C 1.483 177.562 176.117 -0.062 0.000 1.156 274 I CA 0.992 62.260 61.300 -0.054 0.000 1.417 274 I CB -0.541 37.387 38.000 -0.120 0.000 1.088 274 I HN 0.458 nan 8.210 nan 0.000 0.442 275 N N -0.087 118.548 118.700 -0.109 0.000 2.123 275 N HA 0.213 4.965 4.740 0.020 0.000 0.202 275 N C 1.148 176.457 175.510 -0.335 0.000 1.383 275 N CA -0.431 52.488 53.050 -0.219 0.000 0.990 275 N CB 0.077 38.276 38.487 -0.480 0.000 1.258 275 N HN -0.039 nan 8.380 nan 0.000 0.335 276 I N 0.169 120.389 120.570 -0.582 0.000 3.560 276 I HA -0.257 3.925 4.170 0.020 0.000 0.194 276 I C 1.380 177.368 176.117 -0.216 0.000 0.421 276 I CA 1.305 62.304 61.300 -0.501 0.000 1.281 276 I CB -1.400 36.107 38.000 -0.821 0.000 1.085 276 I HN 0.639 nan 8.210 nan 0.000 0.283 277 G N -1.362 107.358 108.800 -0.133 0.000 2.430 277 G HA2 -0.168 3.804 3.960 0.020 0.000 0.216 277 G HA3 -0.168 3.804 3.960 0.020 0.000 0.216 277 G C 0.896 175.751 174.900 -0.076 0.000 1.146 277 G CA 0.775 45.826 45.100 -0.082 0.000 0.793 277 G HN 0.612 nan 8.290 nan 0.000 0.537 278 H N -0.673 118.330 119.070 -0.112 0.000 2.669 278 H HA 0.212 4.780 4.556 0.020 0.000 0.297 278 H C 1.143 176.554 175.328 0.139 0.000 1.071 278 H CA -0.712 55.333 56.048 -0.005 0.000 1.182 278 H CB -0.277 29.484 29.762 -0.001 0.000 1.343 278 H HN 0.322 nan 8.280 nan 0.000 0.582 279 F N 0.577 120.536 119.950 0.014 0.000 2.407 279 F HA -0.055 4.484 4.527 0.020 0.000 0.299 279 F C 1.260 177.136 175.800 0.127 0.000 1.097 279 F CA 1.229 59.256 58.000 0.046 0.000 1.422 279 F CB 0.060 39.035 39.000 -0.042 0.000 1.067 279 F HN 0.219 nan 8.300 nan 0.000 0.539 280 N N -0.955 117.800 118.700 0.091 0.000 2.368 280 N HA -0.030 4.722 4.740 0.020 0.000 0.178 280 N C -0.343 175.163 175.510 -0.006 0.000 1.076 280 N CA -0.118 52.934 53.050 0.004 0.000 0.889 280 N CB 0.131 38.651 38.487 0.054 0.000 1.040 280 N HN 0.058 nan 8.380 nan 0.000 0.463 281 D N 1.770 122.179 120.400 0.015 0.000 2.622 281 D HA -0.079 4.573 4.640 0.020 0.000 0.227 281 D C -1.507 174.721 176.300 -0.120 0.000 1.159 281 D CA -0.542 53.441 54.000 -0.028 0.000 0.865 281 D CB 0.324 41.126 40.800 0.003 0.000 1.207 281 D HN 0.088 nan 8.370 nan 0.000 0.492 282 P HA -0.162 nan 4.420 nan 0.000 0.218 282 P C 1.264 178.469 177.300 -0.157 0.000 1.146 282 P CA 0.673 63.721 63.100 -0.088 0.000 0.813 282 P CB 0.176 31.849 31.700 -0.046 0.000 0.778 283 V N 0.255 120.009 119.914 -0.267 0.000 2.214 283 V HA -0.254 3.878 4.120 0.020 0.000 0.247 283 V C 1.575 177.465 176.094 -0.340 0.000 1.051 283 V CA 2.358 64.444 62.300 -0.356 0.000 1.003 283 V CB -2.161 29.325 31.823 -0.561 0.000 0.635 283 V HN 0.326 nan 8.190 nan 0.000 0.447 284 H N 0.185 119.183 119.070 -0.120 0.000 2.708 284 H HA 0.533 5.101 4.556 0.020 0.000 0.309 284 H C 1.368 176.620 175.328 -0.126 0.000 1.084 284 H CA 0.443 56.417 56.048 -0.124 0.000 1.165 284 H CB -0.392 29.291 29.762 -0.132 0.000 1.388 284 H HN 0.498 nan 8.280 nan 0.000 0.553 285 G N 0.576 109.323 108.800 -0.089 0.000 5.229 285 G HA2 -0.318 3.654 3.960 0.020 0.000 0.250 285 G HA3 -0.318 3.654 3.960 0.020 0.000 0.250 285 G C 1.201 176.050 174.900 -0.084 0.000 1.380 285 G CA 0.255 45.306 45.100 -0.082 0.000 0.933 285 G HN 1.327 nan 8.290 nan 0.000 0.731 286 G N -0.980 107.760 108.800 -0.100 0.000 3.732 286 G HA2 0.393 4.365 3.960 0.020 0.000 0.220 286 G HA3 0.393 4.365 3.960 0.020 0.000 0.220 286 G C 0.330 175.114 174.900 -0.193 0.000 0.903 286 G CA 1.286 46.319 45.100 -0.111 0.000 0.896 286 G HN 1.981 nan 8.290 nan 0.000 0.685 287 S N -0.076 115.465 115.700 -0.265 0.000 2.549 287 S HA 0.166 4.648 4.470 0.020 0.000 0.278 287 S C 1.238 175.567 174.600 -0.450 0.000 1.344 287 S CA 0.968 58.931 58.200 -0.395 0.000 1.025 287 S CB 0.044 62.960 63.200 -0.472 0.000 0.851 287 S HN 1.021 nan 8.310 nan 0.000 0.530 288 W N 3.817 125.053 121.300 -0.107 0.000 3.466 288 W HA 0.498 5.170 4.660 0.020 0.000 0.323 288 W C 0.217 176.987 176.519 0.419 0.000 1.264 288 W CA -0.417 57.029 57.345 0.168 0.000 1.750 288 W CB -0.676 28.925 29.460 0.235 0.000 1.040 288 W HN 0.491 nan 8.180 nan 0.000 0.742 289 I N -0.842 119.721 120.570 -0.013 0.000 5.119 289 I HA 0.028 4.210 4.170 0.020 0.000 0.327 289 I C 2.212 178.352 176.117 0.037 0.000 1.185 289 I CA -0.517 60.894 61.300 0.184 0.000 1.452 289 I CB -0.135 37.893 38.000 0.047 0.000 1.617 289 I HN -0.249 nan 8.210 nan 0.000 0.531 290 R N 1.575 121.963 120.500 -0.187 0.000 2.357 290 R HA 0.004 4.355 4.340 0.020 0.000 0.202 290 R C 1.661 177.844 176.300 -0.196 0.000 1.047 290 R CA 1.122 57.147 56.100 -0.126 0.000 1.034 290 R CB -0.083 30.143 30.300 -0.123 0.000 0.875 290 R HN 0.456 nan 8.270 nan 0.000 0.473 291 G N -1.070 107.583 108.800 -0.245 0.000 2.781 291 G HA2 0.044 4.016 3.960 0.020 0.000 0.208 291 G HA3 0.044 4.016 3.960 0.020 0.000 0.208 291 G C 1.111 176.213 174.900 0.337 0.000 1.099 291 G CA 0.380 45.370 45.100 -0.184 0.000 0.776 291 G HN 0.273 nan 8.290 nan 0.000 0.532 292 A N 0.258 123.423 122.820 0.575 0.000 2.095 292 A HA 0.430 4.762 4.320 0.020 0.000 0.212 292 A C 2.085 180.020 177.584 0.584 0.000 1.162 292 A CA 0.212 52.571 52.037 0.537 0.000 0.753 292 A CB -0.085 19.241 19.000 0.544 0.000 0.840 292 A HN 0.290 nan 8.150 nan 0.000 0.468 293 I N -1.899 118.925 120.570 0.423 0.000 2.480 293 I HA -0.147 4.035 4.170 0.020 0.000 0.251 293 I C 2.322 178.680 176.117 0.403 0.000 1.124 293 I CA 1.058 62.599 61.300 0.401 0.000 1.444 293 I CB -0.231 37.918 38.000 0.247 0.000 1.098 293 I HN 0.536 nan 8.210 nan 0.000 0.428 294 Y N 0.951 121.337 120.300 0.142 0.000 2.097 294 Y HA -0.350 4.212 4.550 0.020 0.000 0.282 294 Y C 2.319 178.251 175.900 0.054 0.000 1.152 294 Y CA 1.871 59.985 58.100 0.023 0.000 1.136 294 Y CB -0.581 37.762 38.460 -0.196 0.000 0.975 294 Y HN 0.071 nan 8.280 nan 0.000 0.498 295 Y N -1.257 119.175 120.300 0.221 0.000 2.314 295 Y HA -0.205 4.356 4.550 0.020 0.000 0.293 295 Y C 2.266 178.320 175.900 0.257 0.000 1.129 295 Y CA 1.473 59.666 58.100 0.155 0.000 1.201 295 Y CB -0.648 37.903 38.460 0.152 0.000 0.999 295 Y HN 0.323 nan 8.280 nan 0.000 0.541 296 F N 1.116 121.333 119.950 0.445 0.000 2.171 296 F HA -0.192 4.347 4.527 0.020 0.000 0.300 296 F C 1.992 177.861 175.800 0.114 0.000 1.090 296 F CA 1.583 59.801 58.000 0.365 0.000 1.293 296 F CB -0.311 38.877 39.000 0.314 0.000 1.013 296 F HN -0.193 nan 8.300 nan 0.000 0.486 297 K N 0.376 120.704 120.400 -0.120 0.000 2.148 297 K HA -0.100 4.232 4.320 0.020 0.000 0.204 297 K C 2.184 178.572 176.600 -0.353 0.000 1.050 297 K CA 1.517 57.611 56.287 -0.322 0.000 0.942 297 K CB -0.245 32.119 32.500 -0.226 0.000 0.724 297 K HN 0.384 nan 8.250 nan 0.000 0.446 298 I N 0.593 120.949 120.570 -0.357 0.000 2.546 298 I HA -0.202 3.980 4.170 0.020 0.000 0.255 298 I C 2.314 178.335 176.117 -0.161 0.000 1.163 298 I CA 0.487 61.598 61.300 -0.314 0.000 1.457 298 I CB -0.239 37.518 38.000 -0.405 0.000 1.092 298 I HN 0.127 nan 8.210 nan 0.000 0.434 299 A N 0.740 123.503 122.820 -0.095 0.000 1.832 299 A HA -0.150 4.182 4.320 0.020 0.000 0.214 299 A C 2.369 179.866 177.584 -0.146 0.000 1.200 299 A CA 1.491 53.497 52.037 -0.052 0.000 0.610 299 A CB -1.077 17.957 19.000 0.056 0.000 0.842 299 A HN 0.157 nan 8.150 nan 0.000 0.444 300 V N 0.117 119.864 119.914 -0.278 0.000 2.277 300 V HA -0.363 3.769 4.120 0.020 0.000 0.253 300 V C 3.028 179.015 176.094 -0.178 0.000 1.067 300 V CA 2.437 64.572 62.300 -0.274 0.000 1.047 300 V CB -1.250 30.301 31.823 -0.453 0.000 0.649 300 V HN 0.654 nan 8.190 nan 0.000 0.447 301 A N -0.989 121.721 122.820 -0.183 0.000 1.968 301 A HA -0.130 4.202 4.320 0.020 0.000 0.217 301 A C 2.111 179.637 177.584 -0.096 0.000 1.169 301 A CA 1.740 53.705 52.037 -0.121 0.000 0.638 301 A CB -0.472 18.454 19.000 -0.124 0.000 0.812 301 A HN 0.457 nan 8.150 nan 0.000 0.446 302 L N -0.283 120.874 121.223 -0.110 0.000 2.083 302 L HA -0.074 4.278 4.340 0.020 0.000 0.209 302 L C 2.695 179.507 176.870 -0.096 0.000 1.083 302 L CA 1.878 56.656 54.840 -0.103 0.000 0.752 302 L CB -0.662 41.329 42.059 -0.113 0.000 0.899 302 L HN 0.370 nan 8.230 nan 0.000 0.433 303 A N -1.011 121.754 122.820 -0.091 0.000 1.834 303 A HA -0.201 4.131 4.320 0.020 0.000 0.216 303 A C 2.226 179.773 177.584 -0.061 0.000 1.203 303 A CA 2.282 54.274 52.037 -0.075 0.000 0.621 303 A CB -1.322 17.636 19.000 -0.070 0.000 0.841 303 A HN 0.229 nan 8.150 nan 0.000 0.446 304 V N 0.129 120.011 119.914 -0.053 0.000 2.363 304 V HA -0.375 3.757 4.120 0.020 0.000 0.254 304 V C 2.997 179.071 176.094 -0.032 0.000 1.074 304 V CA 2.370 64.652 62.300 -0.029 0.000 1.069 304 V CB -1.452 30.360 31.823 -0.018 0.000 0.659 304 V HN 0.681 nan 8.190 nan 0.000 0.455 305 A N -0.349 122.441 122.820 -0.050 0.000 1.877 305 A HA -0.074 4.258 4.320 0.020 0.000 0.216 305 A C 2.375 179.910 177.584 -0.081 0.000 1.186 305 A CA 2.211 54.212 52.037 -0.060 0.000 0.620 305 A CB -0.729 18.230 19.000 -0.069 0.000 0.822 305 A HN 0.621 nan 8.150 nan 0.000 0.443 306 A N -0.846 121.920 122.820 -0.089 0.000 1.975 306 A HA 0.281 4.613 4.320 0.020 0.000 0.215 306 A C 1.078 178.611 177.584 -0.086 0.000 1.170 306 A CA 0.134 52.107 52.037 -0.106 0.000 0.656 306 A CB -0.304 18.628 19.000 -0.113 0.000 0.821 306 A HN 0.433 nan 8.150 nan 0.000 0.449 307 I N 1.688 122.224 120.570 -0.057 0.000 2.581 307 I HA 0.065 4.247 4.170 0.020 0.000 0.285 307 I C -2.263 173.850 176.117 -0.006 0.000 1.129 307 I CA -1.627 59.655 61.300 -0.030 0.000 1.397 307 I CB 1.110 39.101 38.000 -0.014 0.000 1.399 307 I HN 0.066 nan 8.210 nan 0.000 0.537 308 P HA -0.006 nan 4.420 nan 0.000 0.256 308 P C 0.539 177.914 177.300 0.126 0.000 1.688 308 P CA -0.146 62.993 63.100 0.066 0.000 1.162 308 P CB -0.059 31.715 31.700 0.122 0.000 1.870 309 E N 1.448 121.704 120.200 0.094 0.000 2.478 309 E HA -0.077 4.285 4.350 0.020 0.000 0.198 309 E C 1.416 178.087 176.600 0.117 0.000 1.046 309 E CA 1.011 57.467 56.400 0.093 0.000 0.870 309 E CB -0.839 28.905 29.700 0.073 0.000 0.818 309 E HN 0.367 nan 8.360 nan 0.000 0.527 310 G N 0.873 109.794 108.800 0.201 0.000 2.939 310 G HA2 0.012 3.984 3.960 0.020 0.000 0.210 310 G HA3 0.012 3.984 3.960 0.020 0.000 0.210 310 G C 1.345 176.357 174.900 0.187 0.000 1.160 310 G CA 0.139 45.379 45.100 0.232 0.000 0.770 310 G HN 0.224 nan 8.290 nan 0.000 0.543 311 L N 1.618 122.997 121.223 0.261 0.000 1.994 311 L HA 0.106 4.458 4.340 0.020 0.000 0.208 311 L C -0.197 176.630 176.870 -0.071 0.000 1.071 311 L CA 1.834 56.739 54.840 0.107 0.000 0.745 311 L CB -0.818 41.415 42.059 0.290 0.000 0.892 311 L HN 0.009 nan 8.230 nan 0.000 0.431 312 P HA -0.110 nan 4.420 nan 0.000 0.221 312 P C 1.190 178.443 177.300 -0.078 0.000 1.145 312 P CA 1.686 64.766 63.100 -0.034 0.000 0.795 312 P CB -0.109 31.588 31.700 -0.004 0.000 0.775 313 A N -0.994 121.769 122.820 -0.096 0.000 1.911 313 A HA -0.034 4.297 4.320 0.020 0.000 0.212 313 A C 2.275 179.768 177.584 -0.153 0.000 1.189 313 A CA 0.989 52.962 52.037 -0.106 0.000 0.639 313 A CB -1.409 17.543 19.000 -0.081 0.000 0.839 313 A HN 0.103 nan 8.150 nan 0.000 0.449 314 V N 0.640 120.399 119.914 -0.259 0.000 2.427 314 V HA -0.193 3.939 4.120 0.020 0.000 0.248 314 V C 2.199 178.108 176.094 -0.309 0.000 1.051 314 V CA 1.982 64.067 62.300 -0.358 0.000 1.048 314 V CB -0.504 30.858 31.823 -0.769 0.000 0.666 314 V HN 0.548 nan 8.190 nan 0.000 0.456 315 I N -0.310 120.094 120.570 -0.278 0.000 2.058 315 I HA -0.261 3.921 4.170 0.020 0.000 0.235 315 I C 2.517 178.545 176.117 -0.148 0.000 1.053 315 I CA 2.158 63.342 61.300 -0.192 0.000 1.313 315 I CB -1.390 36.529 38.000 -0.136 0.000 1.039 315 I HN 0.228 nan 8.210 nan 0.000 0.396 316 T N 0.489 114.973 114.554 -0.118 0.000 2.693 316 T HA -0.297 4.065 4.350 0.020 0.000 0.263 316 T C 1.810 176.449 174.700 -0.101 0.000 1.046 316 T CA 2.570 64.614 62.100 -0.092 0.000 1.160 316 T CB -0.519 68.302 68.868 -0.078 0.000 0.853 316 T HN 0.450 nan 8.240 nan 0.000 0.462 317 T N 0.540 115.020 114.554 -0.124 0.000 2.698 317 T HA -0.080 4.281 4.350 0.020 0.000 0.260 317 T C 2.286 176.862 174.700 -0.206 0.000 1.044 317 T CA 1.281 63.304 62.100 -0.130 0.000 1.149 317 T CB -0.705 68.103 68.868 -0.100 0.000 0.864 317 T HN 0.462 nan 8.240 nan 0.000 0.419 318 C N 1.134 120.284 119.300 -0.250 0.000 2.401 318 C HA -0.054 4.418 4.460 0.020 0.000 0.276 318 C C 2.573 177.443 174.990 -0.199 0.000 1.233 318 C CA 0.313 59.163 59.018 -0.280 0.000 1.753 318 C CB -1.415 26.180 27.740 -0.241 0.000 2.029 318 C HN 0.381 nan 8.230 nan 0.000 0.478 319 L N 1.477 122.611 121.223 -0.148 0.000 1.932 319 L HA -0.132 4.220 4.340 0.020 0.000 0.217 319 L C 2.794 179.603 176.870 -0.102 0.000 1.077 319 L CA 2.487 57.262 54.840 -0.107 0.000 0.765 319 L CB -1.589 40.420 42.059 -0.084 0.000 0.888 319 L HN 0.308 nan 8.230 nan 0.000 0.433 320 A N -1.154 121.611 122.820 -0.092 0.000 2.042 320 A HA -0.247 4.085 4.320 0.020 0.000 0.222 320 A C 2.277 179.809 177.584 -0.086 0.000 1.167 320 A CA 2.157 54.151 52.037 -0.071 0.000 0.649 320 A CB -0.913 18.058 19.000 -0.049 0.000 0.809 320 A HN 0.462 nan 8.150 nan 0.000 0.457 321 L N -0.540 120.599 121.223 -0.139 0.000 2.044 321 L HA 0.117 4.469 4.340 0.020 0.000 0.205 321 L C 2.412 179.196 176.870 -0.143 0.000 1.075 321 L CA 2.217 56.952 54.840 -0.175 0.000 0.747 321 L CB -1.009 40.847 42.059 -0.338 0.000 0.903 321 L HN 0.250 nan 8.230 nan 0.000 0.435 322 G N -1.347 107.367 108.800 -0.143 0.000 2.469 322 G HA2 -0.293 3.679 3.960 0.020 0.000 0.219 322 G HA3 -0.293 3.679 3.960 0.020 0.000 0.219 322 G C 1.459 176.312 174.900 -0.079 0.000 1.150 322 G CA 1.349 46.385 45.100 -0.106 0.000 0.763 322 G HN 0.433 nan 8.290 nan 0.000 0.561 323 T N -0.019 114.492 114.554 -0.073 0.000 2.652 323 T HA -0.130 4.232 4.350 0.020 0.000 0.267 323 T C 2.387 177.058 174.700 -0.048 0.000 1.039 323 T CA 1.495 63.562 62.100 -0.056 0.000 1.153 323 T CB -0.146 68.692 68.868 -0.049 0.000 0.863 323 T HN 0.305 nan 8.240 nan 0.000 0.428 324 R N 0.508 120.979 120.500 -0.047 0.000 2.127 324 R HA -0.043 4.309 4.340 0.020 0.000 0.238 324 R C 2.561 178.840 176.300 -0.034 0.000 1.134 324 R CA 1.297 57.377 56.100 -0.032 0.000 0.975 324 R CB 0.013 30.300 30.300 -0.022 0.000 0.865 324 R HN 0.365 nan 8.270 nan 0.000 0.447 325 R N -0.620 119.851 120.500 -0.047 0.000 2.057 325 R HA -0.045 4.307 4.340 0.020 0.000 0.229 325 R C 2.338 178.613 176.300 -0.042 0.000 1.136 325 R CA 1.434 57.508 56.100 -0.042 0.000 0.952 325 R CB -0.273 29.995 30.300 -0.053 0.000 0.848 325 R HN 0.174 nan 8.270 nan 0.000 0.430 326 M N 0.814 120.385 119.600 -0.048 0.000 2.080 326 M HA -0.115 4.377 4.480 0.020 0.000 0.260 326 M C 2.536 178.808 176.300 -0.047 0.000 1.068 326 M CA 1.774 57.045 55.300 -0.049 0.000 1.109 326 M CB -1.218 31.350 32.600 -0.052 0.000 1.342 326 M HN 0.231 nan 8.290 nan 0.000 0.405 327 A N -0.034 122.761 122.820 -0.042 0.000 1.997 327 A HA -0.239 4.092 4.320 0.020 0.000 0.221 327 A C 2.337 179.893 177.584 -0.047 0.000 1.172 327 A CA 2.233 54.246 52.037 -0.041 0.000 0.645 327 A CB -0.755 18.226 19.000 -0.031 0.000 0.813 327 A HN 0.551 nan 8.150 nan 0.000 0.454 328 K N -0.495 119.881 120.400 -0.041 0.000 2.228 328 K HA 0.010 4.342 4.320 0.020 0.000 0.202 328 K C 1.098 177.668 176.600 -0.050 0.000 1.051 328 K CA 0.978 57.241 56.287 -0.040 0.000 0.960 328 K CB -0.005 32.481 32.500 -0.024 0.000 0.743 328 K HN 0.379 nan 8.250 nan 0.000 0.458 329 K N 0.897 121.268 120.400 -0.049 0.000 2.504 329 K HA 0.117 4.448 4.320 0.020 0.000 0.199 329 K C -0.305 176.258 176.600 -0.061 0.000 1.028 329 K CA 0.015 56.273 56.287 -0.050 0.000 1.164 329 K CB 0.298 32.773 32.500 -0.042 0.000 0.877 329 K HN 0.149 nan 8.250 nan 0.000 0.508 330 N N -0.418 118.236 118.700 -0.076 0.000 2.741 330 N HA -0.185 4.567 4.740 0.020 0.000 0.251 330 N C -0.794 174.677 175.510 -0.064 0.000 1.112 330 N CA 1.144 54.140 53.050 -0.089 0.000 0.750 330 N CB -1.393 37.030 38.487 -0.107 0.000 1.119 330 N HN 0.363 nan 8.380 nan 0.000 0.561 331 A N 0.422 123.208 122.820 -0.057 0.000 2.290 331 A HA 0.691 5.023 4.320 0.020 0.000 0.310 331 A C 0.490 178.047 177.584 -0.045 0.000 1.202 331 A CA -0.402 51.604 52.037 -0.052 0.000 0.837 331 A CB 0.663 19.629 19.000 -0.057 0.000 1.139 331 A HN 0.250 nan 8.150 nan 0.000 0.509 332 I N 2.798 123.345 120.570 -0.038 0.000 2.336 332 I HA 0.277 4.459 4.170 0.020 0.000 0.292 332 I C -0.557 175.539 176.117 -0.034 0.000 0.991 332 I CA -0.584 60.698 61.300 -0.031 0.000 1.227 332 I CB 1.811 39.798 38.000 -0.021 0.000 1.366 332 I HN 0.298 nan 8.210 nan 0.000 0.466 333 V N 7.671 127.565 119.914 -0.034 0.000 2.350 333 V HA 0.321 4.453 4.120 0.020 0.000 0.276 333 V C 0.981 177.056 176.094 -0.031 0.000 1.028 333 V CA -0.404 61.875 62.300 -0.036 0.000 0.860 333 V CB 1.175 32.974 31.823 -0.040 0.000 0.990 333 V HN 0.735 nan 8.190 nan 0.000 0.453 334 R N 2.046 122.528 120.500 -0.029 0.000 2.265 334 R HA 0.223 4.575 4.340 0.020 0.000 0.194 334 R C 0.551 176.836 176.300 -0.026 0.000 0.931 334 R CA 0.230 56.315 56.100 -0.025 0.000 1.032 334 R CB 0.653 30.939 30.300 -0.023 0.000 0.980 334 R HN 0.553 nan 8.270 nan 0.000 0.497 335 S N 0.525 116.208 115.700 -0.028 0.000 2.736 335 S HA 0.192 4.673 4.470 0.020 0.000 0.285 335 S C 0.700 175.282 174.600 -0.030 0.000 1.163 335 S CA -0.609 57.575 58.200 -0.027 0.000 1.025 335 S CB 1.059 64.243 63.200 -0.026 0.000 1.030 335 S HN 0.105 nan 8.310 nan 0.000 0.486 336 L N 5.158 126.364 121.223 -0.029 0.000 2.051 336 L HA -0.044 4.308 4.340 0.020 0.000 0.214 336 L C -0.874 175.977 176.870 -0.033 0.000 1.076 336 L CA 2.196 57.016 54.840 -0.032 0.000 0.758 336 L CB -1.650 40.390 42.059 -0.031 0.000 0.890 336 L HN 0.547 nan 8.230 nan 0.000 0.433 337 P HA -0.102 nan 4.420 nan 0.000 0.222 337 P C 1.824 179.105 177.300 -0.032 0.000 1.147 337 P CA 1.362 64.446 63.100 -0.027 0.000 0.790 337 P CB -0.045 31.642 31.700 -0.022 0.000 0.780 338 S N -0.458 115.221 115.700 -0.035 0.000 2.368 338 S HA -0.193 4.289 4.470 0.020 0.000 0.226 338 S C 2.011 176.585 174.600 -0.044 0.000 1.044 338 S CA 1.874 60.050 58.200 -0.040 0.000 1.062 338 S CB -1.909 61.266 63.200 -0.042 0.000 0.931 338 S HN -0.007 nan 8.310 nan 0.000 0.440 339 V N 3.698 123.584 119.914 -0.046 0.000 2.332 339 V HA -0.241 3.890 4.120 0.020 0.000 0.248 339 V C 2.943 179.011 176.094 -0.043 0.000 1.055 339 V CA 2.211 64.482 62.300 -0.049 0.000 1.038 339 V CB -1.099 30.694 31.823 -0.051 0.000 0.651 339 V HN 0.775 nan 8.190 nan 0.000 0.450 340 E N 0.221 120.400 120.200 -0.036 0.000 2.028 340 E HA -0.227 4.135 4.350 0.020 0.000 0.191 340 E C 2.152 178.729 176.600 -0.039 0.000 0.988 340 E CA 1.980 58.364 56.400 -0.027 0.000 0.799 340 E CB -0.652 29.042 29.700 -0.011 0.000 0.755 340 E HN 0.491 nan 8.360 nan 0.000 0.447 341 T N 1.619 116.151 114.554 -0.038 0.000 2.665 341 T HA -0.173 4.189 4.350 0.020 0.000 0.268 341 T C 1.787 176.458 174.700 -0.049 0.000 1.035 341 T CA 1.441 63.516 62.100 -0.042 0.000 1.151 341 T CB -0.383 68.465 68.868 -0.035 0.000 0.862 341 T HN 0.080 nan 8.240 nan 0.000 0.438 342 L N 1.367 122.560 121.223 -0.049 0.000 2.043 342 L HA -0.033 4.318 4.340 0.020 0.000 0.212 342 L C 2.582 179.418 176.870 -0.056 0.000 1.075 342 L CA 2.017 56.824 54.840 -0.054 0.000 0.752 342 L CB -1.424 40.599 42.059 -0.060 0.000 0.891 342 L HN 0.346 nan 8.230 nan 0.000 0.432 343 G N -0.710 108.057 108.800 -0.056 0.000 2.553 343 G HA2 -0.349 3.623 3.960 0.020 0.000 0.218 343 G HA3 -0.349 3.623 3.960 0.020 0.000 0.218 343 G C 1.080 175.936 174.900 -0.074 0.000 1.195 343 G CA 1.150 46.215 45.100 -0.059 0.000 0.779 343 G HN 0.662 nan 8.290 nan 0.000 0.577 344 C N 1.164 120.409 119.300 -0.092 0.000 2.687 344 C HA 0.614 5.085 4.460 0.020 0.000 0.465 344 C C 0.522 175.472 174.990 -0.067 0.000 1.304 344 C CA -1.350 57.608 59.018 -0.101 0.000 1.620 344 C CB -1.787 25.865 27.740 -0.147 0.000 2.212 344 C HN 0.101 nan 8.230 nan 0.000 0.616 345 T N 1.543 116.066 114.554 -0.052 0.000 2.799 345 T HA 0.356 4.718 4.350 0.020 0.000 0.286 345 T C 1.186 175.870 174.700 -0.027 0.000 0.973 345 T CA -0.041 62.037 62.100 -0.036 0.000 1.035 345 T CB 1.690 70.536 68.868 -0.036 0.000 0.932 345 T HN 0.707 nan 8.240 nan 0.000 0.469 346 S N 1.681 117.372 115.700 -0.015 0.000 2.468 346 S HA 0.187 4.668 4.470 0.020 0.000 0.226 346 S C 0.615 175.216 174.600 0.002 0.000 1.051 346 S CA -0.210 57.985 58.200 -0.008 0.000 0.943 346 S CB 0.316 63.513 63.200 -0.004 0.000 0.810 346 S HN 0.443 nan 8.310 nan 0.000 0.509 347 V N 2.455 122.374 119.914 0.008 0.000 2.487 347 V HA 0.494 4.626 4.120 0.020 0.000 0.298 347 V C -0.947 175.157 176.094 0.017 0.000 1.028 347 V CA -0.685 61.626 62.300 0.018 0.000 0.860 347 V CB 1.581 33.422 31.823 0.030 0.000 0.991 347 V HN 0.365 nan 8.190 nan 0.000 0.427 348 I N 4.267 124.854 120.570 0.028 0.000 2.371 348 I HA 0.337 4.519 4.170 0.020 0.000 0.282 348 I C -0.087 176.063 176.117 0.055 0.000 1.031 348 I CA -0.133 61.187 61.300 0.032 0.000 1.180 348 I CB 1.103 39.125 38.000 0.036 0.000 1.336 348 I HN 0.525 nan 8.210 nan 0.000 0.467 349 C N 4.153 123.477 119.300 0.040 0.000 2.536 349 C HA 0.611 5.083 4.460 0.020 0.000 0.396 349 C C 0.888 175.917 174.990 0.065 0.000 1.279 349 C CA 0.087 59.132 59.018 0.045 0.000 2.148 349 C CB 0.692 28.439 27.740 0.013 0.000 2.584 349 C HN 0.838 nan 8.230 nan 0.000 0.579 353 T N 1.683 116.260 114.554 0.039 0.000 2.736 353 T HA 0.284 4.645 4.350 0.020 0.000 0.275 353 T C 0.858 175.584 174.700 0.043 0.000 0.962 353 T CA 1.295 63.417 62.100 0.038 0.000 1.214 353 T CB 0.283 69.178 68.868 0.044 0.000 0.904 353 T HN 0.714 nan 8.240 nan 0.000 0.529 354 G N 3.484 112.307 108.800 0.039 0.000 2.258 354 G HA2 -0.313 3.659 3.960 0.020 0.000 0.233 354 G HA3 -0.313 3.659 3.960 0.020 0.000 0.233 354 G C 0.999 175.933 174.900 0.056 0.000 1.006 354 G CA 0.431 45.560 45.100 0.047 0.000 0.620 354 G HN 0.647 nan 8.290 nan 0.000 0.511 355 T N 0.831 115.423 114.554 0.063 0.000 3.246 355 T HA 0.264 4.626 4.350 0.020 0.000 0.231 355 T C 2.087 176.845 174.700 0.097 0.000 0.986 355 T CA 1.123 63.282 62.100 0.099 0.000 1.340 355 T CB -0.277 68.654 68.868 0.106 0.000 1.063 355 T HN 0.080 nan 8.240 nan 0.000 0.427 356 L N 2.090 123.336 121.223 0.038 0.000 2.263 356 L HA 0.030 4.382 4.340 0.020 0.000 0.216 356 L C 1.436 178.262 176.870 -0.074 0.000 1.111 356 L CA 1.382 56.170 54.840 -0.086 0.000 0.773 356 L CB -1.427 40.568 42.059 -0.108 0.000 0.906 356 L HN 0.548 nan 8.230 nan 0.000 0.439 357 T N -6.951 107.591 114.554 -0.020 0.000 2.907 357 T HA 0.355 4.717 4.350 0.020 0.000 0.290 357 T C 1.127 175.832 174.700 0.007 0.000 1.066 357 T CA 0.019 62.109 62.100 -0.017 0.000 1.012 357 T CB 1.379 70.241 68.868 -0.011 0.000 1.184 357 T HN 0.105 nan 8.240 nan 0.000 0.522 358 T N -1.209 113.347 114.554 0.003 0.000 2.995 358 T HA 0.003 4.365 4.350 0.020 0.000 0.269 358 T C 1.161 175.880 174.700 0.032 0.000 1.091 358 T CA 1.114 63.223 62.100 0.014 0.000 1.128 358 T CB -0.806 68.061 68.868 -0.002 0.000 0.891 358 T HN 0.902 nan 8.240 nan 0.000 0.492 359 N N 0.638 119.360 118.700 0.036 0.000 2.828 359 N HA -0.181 4.571 4.740 0.020 0.000 0.248 359 N C -0.758 174.813 175.510 0.102 0.000 1.044 359 N CA 0.818 53.906 53.050 0.064 0.000 0.851 359 N CB -1.618 36.911 38.487 0.069 0.000 1.136 359 N HN 0.746 nan 8.380 nan 0.000 0.572 360 Q N 0.508 120.335 119.800 0.045 0.000 2.503 360 Q HA 0.328 4.680 4.340 0.020 0.000 0.227 360 Q C -0.226 175.729 176.000 -0.075 0.000 1.109 360 Q CA 0.109 55.900 55.803 -0.020 0.000 0.922 360 Q CB 0.656 29.335 28.738 -0.098 0.000 1.249 360 Q HN 0.376 nan 8.270 nan 0.000 0.530 361 M N 1.753 121.374 119.600 0.035 0.000 2.188 361 M HA 0.330 4.822 4.480 0.020 0.000 0.357 361 M C -0.190 176.108 176.300 -0.003 0.000 1.204 361 M CA -0.330 54.997 55.300 0.046 0.000 1.095 361 M CB 1.474 34.154 32.600 0.133 0.000 1.604 361 M HN 0.420 nan 8.290 nan 0.000 0.464 362 S N 1.769 117.443 115.700 -0.043 0.000 2.538 362 S HA 0.632 5.114 4.470 0.020 0.000 0.288 362 S C -0.621 173.961 174.600 -0.030 0.000 1.108 362 S CA -1.051 57.125 58.200 -0.040 0.000 0.971 362 S CB 1.395 64.535 63.200 -0.099 0.000 1.041 362 S HN 0.433 nan 8.310 nan 0.000 0.483 363 V N 2.512 122.416 119.914 -0.017 0.000 2.521 363 V HA 0.173 4.305 4.120 0.020 0.000 0.286 363 V C 1.287 177.346 176.094 -0.058 0.000 1.034 363 V CA -0.137 62.144 62.300 -0.032 0.000 1.045 363 V CB -0.132 31.677 31.823 -0.023 0.000 0.974 363 V HN 1.277 nan 8.190 nan 0.000 0.480 364 C N 2.133 121.379 119.300 -0.091 0.000 3.931 364 C HA 0.514 4.986 4.460 0.020 0.000 0.378 364 C C 0.389 175.283 174.990 -0.159 0.000 1.554 364 C CA -0.647 58.303 59.018 -0.113 0.000 1.926 364 C CB -0.793 26.870 27.740 -0.128 0.000 2.837 364 C HN 0.755 nan 8.230 nan 0.000 0.701 365 K N 1.481 121.754 120.400 -0.213 0.000 2.502 365 K HA 0.788 5.120 4.320 0.020 0.000 0.257 365 K C -0.996 175.599 176.600 -0.008 0.000 0.938 365 K CA -0.236 55.878 56.287 -0.288 0.000 0.819 365 K CB 2.341 34.259 32.500 -0.969 0.000 1.333 365 K HN 0.594 nan 8.250 nan 0.000 0.434 366 M N 0.539 120.322 119.600 0.304 0.000 2.682 366 M HA 0.670 5.161 4.480 0.020 0.000 0.272 366 M C -1.751 174.951 176.300 0.671 0.000 1.232 366 M CA -1.005 54.568 55.300 0.456 0.000 0.849 366 M CB 2.043 34.744 32.600 0.168 0.000 1.695 366 M HN 0.567 nan 8.290 nan 0.000 0.481 367 F N 0.935 121.113 119.950 0.379 0.000 2.665 367 F HA 0.859 5.397 4.527 0.019 0.000 0.308 367 F C -1.668 174.269 175.800 0.228 0.000 1.112 367 F CA -1.050 57.131 58.000 0.301 0.000 0.972 367 F CB 1.104 40.206 39.000 0.170 0.000 1.295 367 F HN 0.855 nan 8.300 nan 0.000 0.440 368 I N 0.487 121.333 120.570 0.461 0.000 3.436 368 I HA 0.624 4.806 4.170 0.020 0.000 0.300 368 I C -0.693 175.689 176.117 0.442 0.000 1.131 368 I CA -1.413 60.102 61.300 0.357 0.000 1.001 368 I CB 1.779 39.917 38.000 0.232 0.000 1.305 368 I HN 0.492 nan 8.210 nan 0.000 0.494 369 I N 2.063 122.844 120.570 0.352 0.000 2.575 369 I HA 0.117 4.299 4.170 0.020 0.000 0.285 369 I C 0.397 176.626 176.117 0.187 0.000 1.085 369 I CA 0.495 61.940 61.300 0.241 0.000 1.403 369 I CB 0.606 38.734 38.000 0.213 0.000 1.409 369 I HN 0.764 nan 8.210 nan 0.000 0.557 370 D N 4.843 125.315 120.400 0.119 0.000 2.845 370 D HA 0.133 4.785 4.640 0.020 0.000 0.272 370 D C 0.086 176.450 176.300 0.106 0.000 1.275 370 D CA 1.105 55.178 54.000 0.122 0.000 1.029 370 D CB 0.653 41.507 40.800 0.091 0.000 1.131 370 D HN 0.440 nan 8.370 nan 0.000 0.423 371 K N -0.288 120.152 120.400 0.065 0.000 2.371 371 K HA 0.622 4.954 4.320 0.020 0.000 0.251 371 K C -1.449 175.147 176.600 -0.006 0.000 0.934 371 K CA -0.802 55.545 56.287 0.100 0.000 0.798 371 K CB 3.392 36.055 32.500 0.271 0.000 1.204 371 K HN -0.164 nan 8.250 nan 0.000 0.427 372 V N 2.124 122.069 119.914 0.051 0.000 2.447 372 V HA 0.275 4.407 4.120 0.020 0.000 0.292 372 V C -1.443 174.713 176.094 0.103 0.000 1.021 372 V CA -0.655 61.657 62.300 0.021 0.000 0.850 372 V CB 1.483 33.316 31.823 0.018 0.000 1.005 372 V HN 0.794 nan 8.190 nan 0.000 0.426 373 D N 3.753 124.254 120.400 0.169 0.000 2.479 373 D HA 0.584 5.236 4.640 0.020 0.000 0.246 373 D C 0.607 177.006 176.300 0.164 0.000 1.336 373 D CA 1.026 55.133 54.000 0.179 0.000 0.967 373 D CB 1.503 42.440 40.800 0.227 0.000 1.275 373 D HN 0.836 nan 8.370 nan 0.000 0.577 374 G N 3.763 112.620 108.800 0.095 0.000 2.614 374 G HA2 -0.354 3.618 3.960 0.020 0.000 0.303 374 G HA3 -0.354 3.618 3.960 0.020 0.000 0.303 374 G C 0.697 175.642 174.900 0.074 0.000 1.270 374 G CA 0.409 45.553 45.100 0.074 0.000 0.988 374 G HN 0.590 nan 8.290 nan 0.000 0.551 375 D N 0.376 120.823 120.400 0.079 0.000 2.378 375 D HA 0.097 4.749 4.640 0.020 0.000 0.227 375 D C 0.626 176.990 176.300 0.107 0.000 1.012 375 D CA 0.589 54.627 54.000 0.063 0.000 0.905 375 D CB -0.006 40.824 40.800 0.050 0.000 0.895 375 D HN 0.192 nan 8.370 nan 0.000 0.532 376 F N 1.481 121.421 119.950 -0.017 0.000 2.404 376 F HA 0.327 4.867 4.527 0.021 0.000 0.354 376 F C -0.606 175.182 175.800 -0.020 0.000 1.122 376 F CA -1.196 56.792 58.000 -0.020 0.000 1.080 376 F CB 0.942 39.934 39.000 -0.014 0.000 1.131 376 F HN -0.220 nan 8.300 nan 0.000 0.471 377 C N 5.757 124.567 119.300 -0.816 0.000 2.563 377 C HA 0.868 5.340 4.460 0.020 0.000 0.314 377 C C -0.757 173.645 174.990 -0.981 0.000 1.199 377 C CA -0.066 58.470 59.018 -0.804 0.000 1.564 377 C CB 0.599 28.112 27.740 -0.378 0.000 2.173 377 C HN 1.014 nan 8.230 nan 0.000 0.485 378 S N 5.823 121.080 115.700 -0.738 0.000 2.569 378 S HA 0.872 5.354 4.470 0.020 0.000 0.280 378 S C -1.589 172.896 174.600 -0.192 0.000 1.111 378 S CA -0.722 57.231 58.200 -0.412 0.000 0.887 378 S CB 1.413 64.483 63.200 -0.218 0.000 1.095 378 S HN 0.591 nan 8.310 nan 0.000 0.476 379 L N 2.229 123.361 121.223 -0.152 0.000 2.342 379 L HA 0.555 4.907 4.340 0.020 0.000 0.271 379 L C -0.378 176.478 176.870 -0.024 0.000 1.008 379 L CA -0.675 54.121 54.840 -0.073 0.000 0.818 379 L CB 1.552 43.452 42.059 -0.265 0.000 1.296 379 L HN 0.782 nan 8.230 nan 0.000 0.427 380 N N 2.169 120.914 118.700 0.076 0.000 2.521 380 N HA 0.171 4.923 4.740 0.020 0.000 0.236 380 N C -0.272 175.177 175.510 -0.101 0.000 1.067 380 N CA -0.125 52.894 53.050 -0.052 0.000 0.939 380 N CB 0.943 39.474 38.487 0.073 0.000 1.201 380 N HN 0.570 nan 8.380 nan 0.000 0.511 381 E N 1.178 121.239 120.200 -0.231 0.000 2.319 381 E HA 0.427 4.789 4.350 0.020 0.000 0.268 381 E C -0.682 175.604 176.600 -0.522 0.000 1.050 381 E CA -0.086 56.284 56.400 -0.049 0.000 0.878 381 E CB 1.017 30.774 29.700 0.095 0.000 1.066 381 E HN 0.296 nan 8.360 nan 0.000 0.406 382 F N -0.325 119.702 119.950 0.128 0.000 2.613 382 F HA 0.350 4.889 4.527 0.019 0.000 0.310 382 F C -0.208 175.594 175.800 0.004 0.000 1.085 382 F CA -0.819 57.189 58.000 0.013 0.000 0.945 382 F CB 2.153 41.119 39.000 -0.057 0.000 1.298 382 F HN 0.196 nan 8.300 nan 0.000 0.455 383 S N 2.911 118.701 115.700 0.151 0.000 2.503 383 S HA 0.770 5.252 4.470 0.020 0.000 0.301 383 S C -1.017 173.598 174.600 0.026 0.000 1.087 383 S CA -0.643 57.577 58.200 0.035 0.000 1.042 383 S CB 1.440 64.634 63.200 -0.010 0.000 1.043 383 S HN 0.295 nan 8.310 nan 0.000 0.489 384 I N 2.183 122.741 120.570 -0.020 0.000 2.693 384 I HA 0.585 4.767 4.170 0.020 0.000 0.303 384 I C 0.438 176.529 176.117 -0.044 0.000 1.025 384 I CA -0.782 60.500 61.300 -0.030 0.000 1.086 384 I CB 1.265 39.240 38.000 -0.042 0.000 1.268 384 I HN 0.698 nan 8.210 nan 0.000 0.440 385 T N -0.639 113.891 114.554 -0.040 0.000 2.908 385 T HA 0.823 5.185 4.350 0.020 0.000 0.290 385 T C -0.012 174.659 174.700 -0.048 0.000 1.034 385 T CA -0.539 61.535 62.100 -0.043 0.000 1.010 385 T CB 1.865 70.714 68.868 -0.033 0.000 1.068 385 T HN 1.501 nan 8.240 nan 0.000 0.481 386 G N 0.962 109.731 108.800 -0.052 0.000 3.353 386 G HA2 0.017 3.989 3.960 0.020 0.000 0.682 386 G HA3 0.017 3.989 3.960 0.020 0.000 0.682 386 G C 0.218 175.072 174.900 -0.077 0.000 1.192 386 G CA -0.189 44.876 45.100 -0.058 0.000 1.111 386 G HN 0.788 nan 8.290 nan 0.000 0.493 387 S N -0.062 115.587 115.700 -0.085 0.000 2.470 387 S HA 0.146 4.628 4.470 0.020 0.000 0.225 387 S C 1.890 176.375 174.600 -0.191 0.000 1.006 387 S CA 1.492 59.622 58.200 -0.116 0.000 0.934 387 S CB 0.059 63.202 63.200 -0.096 0.000 0.778 387 S HN 1.549 nan 8.310 nan 0.000 0.517 388 T N -1.399 113.046 114.554 -0.181 0.000 2.910 388 T HA 0.372 4.733 4.350 0.020 0.000 0.279 388 T C 0.148 174.697 174.700 -0.252 0.000 0.989 388 T CA -0.603 61.328 62.100 -0.280 0.000 0.968 388 T CB 0.261 69.063 68.868 -0.111 0.000 1.135 388 T HN 0.124 nan 8.240 nan 0.000 0.562 389 Y N 0.262 120.576 120.300 0.024 0.000 2.471 389 Y HA 0.515 5.077 4.550 0.019 0.000 0.321 389 Y C 1.352 177.214 175.900 -0.064 0.000 1.195 389 Y CA -0.738 57.363 58.100 0.001 0.000 1.272 389 Y CB -1.279 37.206 38.460 0.043 0.000 1.097 389 Y HN 0.791 nan 8.280 nan 0.000 0.507 390 A N 2.216 125.029 122.820 -0.012 0.000 2.363 390 A HA 0.337 4.668 4.320 0.020 0.000 0.270 390 A C -1.774 175.596 177.584 -0.355 0.000 1.121 390 A CA -1.538 50.314 52.037 -0.308 0.000 0.800 390 A CB 0.211 19.183 19.000 -0.046 0.000 1.052 390 A HN 0.103 nan 8.150 nan 0.000 0.493 391 P HA 0.120 nan 4.420 nan 0.000 0.246 391 P C -0.732 176.443 177.300 -0.208 0.000 1.686 391 P CA 0.421 63.329 63.100 -0.320 0.000 0.867 391 P CB -0.266 31.226 31.700 -0.347 0.000 1.733 392 E N 0.132 120.234 120.200 -0.164 0.000 2.199 392 E HA 0.698 5.060 4.350 0.020 0.000 0.265 392 E C 0.211 176.771 176.600 -0.067 0.000 0.882 392 E CA -0.771 55.575 56.400 -0.090 0.000 0.759 392 E CB 2.003 31.669 29.700 -0.056 0.000 1.148 392 E HN 0.193 nan 8.360 nan 0.000 0.412 393 G N 2.072 110.841 108.800 -0.052 0.000 2.352 393 G HA2 0.236 4.208 3.960 0.020 0.000 0.302 393 G HA3 0.236 4.208 3.960 0.020 0.000 0.302 393 G C -1.776 173.101 174.900 -0.038 0.000 1.370 393 G CA -0.928 44.146 45.100 -0.043 0.000 0.918 393 G HN 0.537 nan 8.290 nan 0.000 0.610 394 E N -1.173 119.008 120.200 -0.030 0.000 2.356 394 E HA 0.662 5.024 4.350 0.020 0.000 0.275 394 E C -0.909 175.682 176.600 -0.016 0.000 0.904 394 E CA -1.078 55.308 56.400 -0.022 0.000 0.757 394 E CB 2.464 32.158 29.700 -0.009 0.000 1.232 394 E HN 0.499 nan 8.360 nan 0.000 0.442 395 V N 2.166 122.072 119.914 -0.014 0.000 2.686 395 V HA 0.386 4.518 4.120 0.020 0.000 0.295 395 V C -0.034 176.097 176.094 0.061 0.000 1.057 395 V CA -0.504 61.801 62.300 0.008 0.000 1.012 395 V CB 0.592 32.384 31.823 -0.053 0.000 1.006 395 V HN 0.528 nan 8.190 nan 0.000 0.477 396 L N 3.942 125.230 121.223 0.108 0.000 2.482 396 L HA 0.566 4.918 4.340 0.020 0.000 0.269 396 L C -0.563 176.372 176.870 0.107 0.000 0.967 396 L CA -0.495 54.403 54.840 0.097 0.000 0.851 396 L CB 1.861 43.946 42.059 0.044 0.000 1.242 396 L HN 0.575 nan 8.230 nan 0.000 0.404 397 K N 2.838 123.291 120.400 0.089 0.000 2.206 397 K HA 0.393 4.724 4.320 0.020 0.000 0.264 397 K C 0.115 176.706 176.600 -0.015 0.000 0.967 397 K CA -0.426 55.834 56.287 -0.046 0.000 0.844 397 K CB 0.866 33.275 32.500 -0.150 0.000 1.099 397 K HN 0.642 nan 8.250 nan 0.000 0.441 398 N N 4.473 123.149 118.700 -0.041 0.000 2.707 398 N HA -0.237 4.514 4.740 0.020 0.000 0.253 398 N C -1.064 174.448 175.510 0.003 0.000 0.998 398 N CA 0.680 53.720 53.050 -0.015 0.000 0.751 398 N CB -0.728 37.756 38.487 -0.005 0.000 0.920 398 N HN 0.872 nan 8.380 nan 0.000 0.539 399 D N -2.414 117.988 120.400 0.003 0.000 3.059 399 D HA -0.173 4.479 4.640 0.020 0.000 0.213 399 D C -0.239 176.073 176.300 0.020 0.000 1.144 399 D CA 1.393 55.398 54.000 0.009 0.000 0.975 399 D CB -0.606 40.196 40.800 0.004 0.000 1.125 399 D HN 0.589 nan 8.370 nan 0.000 0.412 400 K N 0.517 120.937 120.400 0.033 0.000 2.244 400 K HA 0.407 4.739 4.320 0.020 0.000 0.260 400 K C -2.650 173.988 176.600 0.064 0.000 0.951 400 K CA -1.693 54.622 56.287 0.046 0.000 0.826 400 K CB 1.815 34.347 32.500 0.053 0.000 1.108 400 K HN -0.223 nan 8.250 nan 0.000 0.433 401 P HA 0.006 nan 4.420 nan 0.000 0.269 401 P C -0.809 176.539 177.300 0.080 0.000 1.263 401 P CA -0.249 62.884 63.100 0.056 0.000 0.813 401 P CB -0.038 31.683 31.700 0.035 0.000 0.868 402 I N 0.183 120.818 120.570 0.108 0.000 2.676 402 I HA 0.556 4.738 4.170 0.020 0.000 0.309 402 I C 0.090 176.273 176.117 0.109 0.000 0.990 402 I CA -1.242 60.155 61.300 0.161 0.000 1.168 402 I CB 1.600 39.768 38.000 0.280 0.000 1.343 402 I HN 0.065 nan 8.210 nan 0.000 0.482 403 R N 3.486 124.065 120.500 0.132 0.000 2.230 403 R HA 0.349 4.701 4.340 0.020 0.000 0.337 403 R C 0.283 176.629 176.300 0.076 0.000 1.063 403 R CA -0.061 56.081 56.100 0.069 0.000 0.935 403 R CB 0.751 31.082 30.300 0.051 0.000 1.121 403 R HN 0.975 nan 8.270 nan 0.000 0.486 404 S N 3.024 118.716 115.700 -0.013 0.000 2.372 404 S HA -0.198 4.284 4.470 0.020 0.000 0.227 404 S C 1.784 176.369 174.600 -0.025 0.000 1.044 404 S CA 1.727 59.880 58.200 -0.079 0.000 1.050 404 S CB -0.215 62.874 63.200 -0.185 0.000 0.901 404 S HN 0.889 nan 8.310 nan 0.000 0.447 405 G N 0.649 109.402 108.800 -0.078 0.000 2.615 405 G HA2 -0.214 3.758 3.960 0.020 0.000 0.213 405 G HA3 -0.214 3.758 3.960 0.020 0.000 0.213 405 G C 1.109 175.980 174.900 -0.047 0.000 1.135 405 G CA 0.684 45.713 45.100 -0.119 0.000 0.772 405 G HN 0.610 nan 8.290 nan 0.000 0.542 406 Q N -0.692 119.123 119.800 0.024 0.000 2.245 406 Q HA 0.122 4.474 4.340 0.020 0.000 0.201 406 Q C -0.115 175.755 176.000 -0.218 0.000 0.955 406 Q CA 0.179 55.929 55.803 -0.088 0.000 0.870 406 Q CB 0.006 28.677 28.738 -0.111 0.000 0.945 406 Q HN 0.426 nan 8.270 nan 0.000 0.461 407 F N 0.993 120.917 119.950 -0.043 0.000 2.411 407 F HA 0.235 4.774 4.527 0.020 0.000 0.352 407 F C 0.686 176.452 175.800 -0.057 0.000 1.123 407 F CA -1.112 56.880 58.000 -0.013 0.000 1.044 407 F CB 1.351 40.372 39.000 0.035 0.000 1.135 407 F HN -0.062 nan 8.300 nan 0.000 0.461 408 D N 2.677 123.142 120.400 0.108 0.000 2.144 408 D HA -0.114 4.538 4.640 0.020 0.000 0.199 408 D C 2.253 178.575 176.300 0.036 0.000 0.984 408 D CA 1.325 55.349 54.000 0.040 0.000 0.834 408 D CB -0.184 40.637 40.800 0.036 0.000 0.955 408 D HN 0.835 nan 8.370 nan 0.000 0.465 409 G N 1.435 110.289 108.800 0.090 0.000 2.491 409 G HA2 -0.234 3.738 3.960 0.020 0.000 0.218 409 G HA3 -0.234 3.738 3.960 0.020 0.000 0.218 409 G C 1.779 176.660 174.900 -0.032 0.000 1.180 409 G CA 0.350 45.482 45.100 0.053 0.000 0.774 409 G HN 0.257 nan 8.290 nan 0.000 0.562 410 L N 0.466 121.655 121.223 -0.057 0.000 2.191 410 L HA -0.099 4.253 4.340 0.020 0.000 0.212 410 L C 2.979 179.737 176.870 -0.187 0.000 1.103 410 L CA 0.377 55.105 54.840 -0.188 0.000 0.769 410 L CB -0.525 41.334 42.059 -0.333 0.000 0.908 410 L HN 0.130 nan 8.230 nan 0.000 0.438 411 V N -0.118 119.701 119.914 -0.158 0.000 2.244 411 V HA -0.293 3.839 4.120 0.020 0.000 0.244 411 V C 2.441 178.422 176.094 -0.189 0.000 1.042 411 V CA 2.048 64.211 62.300 -0.229 0.000 1.006 411 V CB -0.538 31.154 31.823 -0.218 0.000 0.641 411 V HN 0.471 nan 8.190 nan 0.000 0.446 412 E N 0.059 120.186 120.200 -0.121 0.000 2.038 412 E HA -0.240 4.122 4.350 0.020 0.000 0.195 412 E C 2.310 178.813 176.600 -0.162 0.000 1.000 412 E CA 1.449 57.784 56.400 -0.109 0.000 0.803 412 E CB -0.227 29.450 29.700 -0.039 0.000 0.750 412 E HN 0.364 nan 8.360 nan 0.000 0.448 413 L N 1.126 122.255 121.223 -0.156 0.000 2.011 413 L HA -0.306 4.046 4.340 0.020 0.000 0.225 413 L C 2.304 179.061 176.870 -0.189 0.000 1.084 413 L CA 2.730 57.462 54.840 -0.180 0.000 0.791 413 L CB -1.563 40.386 42.059 -0.182 0.000 0.898 413 L HN 0.285 nan 8.230 nan 0.000 0.440 414 A N -1.163 121.539 122.820 -0.197 0.000 1.858 414 A HA -0.211 4.121 4.320 0.020 0.000 0.216 414 A C 2.167 179.630 177.584 -0.203 0.000 1.190 414 A CA 2.492 54.415 52.037 -0.189 0.000 0.617 414 A CB -1.200 17.680 19.000 -0.199 0.000 0.827 414 A HN 0.569 nan 8.150 nan 0.000 0.443 415 T N 0.786 115.201 114.554 -0.232 0.000 2.624 415 T HA -0.252 4.110 4.350 0.020 0.000 0.266 415 T C 1.773 176.197 174.700 -0.460 0.000 1.050 415 T CA 1.942 63.854 62.100 -0.314 0.000 1.163 415 T CB -0.613 68.043 68.868 -0.353 0.000 0.861 415 T HN 0.438 nan 8.240 nan 0.000 0.443 416 I N 0.482 120.785 120.570 -0.446 0.000 2.179 416 I HA -0.202 3.979 4.170 0.020 0.000 0.242 416 I C 2.821 178.812 176.117 -0.210 0.000 1.088 416 I CA 0.988 62.065 61.300 -0.371 0.000 1.357 416 I CB -0.623 37.270 38.000 -0.179 0.000 1.051 416 I HN 0.365 nan 8.210 nan 0.000 0.409 417 C N 0.891 120.088 119.300 -0.172 0.000 2.398 417 C HA -0.208 4.263 4.460 0.020 0.000 0.276 417 C C 3.226 178.149 174.990 -0.111 0.000 1.222 417 C CA 1.133 60.078 59.018 -0.121 0.000 1.746 417 C CB -1.271 26.401 27.740 -0.113 0.000 2.039 417 C HN 0.624 nan 8.230 nan 0.000 0.470 418 A N 0.051 122.792 122.820 -0.131 0.000 1.877 418 A HA -0.081 4.251 4.320 0.020 0.000 0.216 418 A C 2.116 179.642 177.584 -0.096 0.000 1.186 418 A CA 1.546 53.522 52.037 -0.102 0.000 0.620 418 A CB -0.553 18.387 19.000 -0.100 0.000 0.822 418 A HN 0.616 nan 8.150 nan 0.000 0.443 419 L N -1.346 119.786 121.223 -0.152 0.000 2.068 419 L HA -0.061 4.291 4.340 0.020 0.000 0.204 419 L C 1.669 178.520 176.870 -0.031 0.000 1.076 419 L CA 0.510 55.284 54.840 -0.109 0.000 0.753 419 L CB -0.438 41.494 42.059 -0.211 0.000 0.910 419 L HN 0.461 nan 8.230 nan 0.000 0.439 420 C N 2.678 121.962 119.300 -0.027 0.000 2.756 420 C HA 0.284 4.756 4.460 0.020 0.000 0.504 420 C C 0.194 175.185 174.990 0.000 0.000 1.028 420 C CA -0.305 58.726 59.018 0.022 0.000 1.167 420 C CB -2.324 25.447 27.740 0.050 0.000 1.444 420 C HN 0.389 nan 8.230 nan 0.000 0.577 421 N N 2.008 120.709 118.700 0.002 0.000 2.839 421 N HA 0.154 4.906 4.740 0.020 0.000 0.258 421 N C -0.419 175.091 175.510 -0.000 0.000 1.150 421 N CA -0.193 52.849 53.050 -0.013 0.000 0.957 421 N CB 1.145 39.611 38.487 -0.033 0.000 1.560 421 N HN 0.396 nan 8.380 nan 0.000 0.588 422 D N 0.351 120.753 120.400 0.002 0.000 2.339 422 D HA 0.168 4.819 4.640 0.020 0.000 0.217 422 D C -0.059 176.234 176.300 -0.011 0.000 1.050 422 D CA 0.614 54.620 54.000 0.010 0.000 0.856 422 D CB 0.612 41.429 40.800 0.028 0.000 0.922 422 D HN 0.333 nan 8.370 nan 0.000 0.518 423 S N -0.699 114.983 115.700 -0.030 0.000 2.745 423 S HA 0.670 5.152 4.470 0.020 0.000 0.292 423 S C 0.271 174.845 174.600 -0.043 0.000 1.133 423 S CA -0.644 57.526 58.200 -0.050 0.000 0.998 423 S CB 2.045 65.197 63.200 -0.081 0.000 1.087 423 S HN 0.222 nan 8.310 nan 0.000 0.551 424 S N -0.282 115.386 115.700 -0.052 0.000 2.752 424 S HA 0.731 5.213 4.470 0.020 0.000 0.284 424 S C -1.306 173.273 174.600 -0.036 0.000 1.189 424 S CA -0.879 57.304 58.200 -0.028 0.000 0.835 424 S CB 0.371 63.575 63.200 0.006 0.000 1.192 424 S HN 0.495 nan 8.310 nan 0.000 0.506 425 L N 0.458 121.691 121.223 0.017 0.000 2.298 425 L HA 0.808 5.160 4.340 0.020 0.000 0.268 425 L C -1.251 175.680 176.870 0.101 0.000 1.010 425 L CA -0.610 54.269 54.840 0.064 0.000 0.812 425 L CB 1.761 43.903 42.059 0.137 0.000 1.331 425 L HN 0.883 nan 8.230 nan 0.000 0.450 426 D N -0.193 120.295 120.400 0.146 0.000 2.878 426 D HA 0.217 4.869 4.640 0.020 0.000 0.211 426 D C -1.665 174.709 176.300 0.123 0.000 1.271 426 D CA -0.376 53.696 54.000 0.119 0.000 0.845 426 D CB 1.477 42.299 40.800 0.037 0.000 1.679 426 D HN 0.150 nan 8.370 nan 0.000 0.536 427 F N 3.816 123.716 119.950 -0.083 0.000 2.405 427 F HA 0.433 4.971 4.527 0.020 0.000 0.355 427 F C 0.071 175.764 175.800 -0.179 0.000 1.121 427 F CA -0.728 57.091 58.000 -0.301 0.000 1.112 427 F CB 0.738 39.419 39.000 -0.532 0.000 1.126 427 F HN 0.197 nan 8.300 nan 0.000 0.481 428 N N 5.872 124.034 118.700 -0.898 0.000 2.402 428 N HA 0.016 4.768 4.740 0.020 0.000 0.252 428 N C 0.793 175.700 175.510 -1.006 0.000 1.118 428 N CA 0.305 52.938 53.050 -0.696 0.000 0.945 428 N CB 0.590 38.812 38.487 -0.441 0.000 1.147 428 N HN 0.822 nan 8.380 nan 0.000 0.495 429 E N 1.365 121.266 120.200 -0.498 0.000 2.031 429 E HA -0.189 4.173 4.350 0.020 0.000 0.193 429 E C 1.524 178.019 176.600 -0.175 0.000 0.994 429 E CA 2.066 58.342 56.400 -0.208 0.000 0.800 429 E CB -0.025 29.686 29.700 0.018 0.000 0.752 429 E HN 0.768 nan 8.360 nan 0.000 0.447 430 T N 0.763 115.227 114.554 -0.150 0.000 2.607 430 T HA -0.212 4.150 4.350 0.020 0.000 0.267 430 T C 1.795 176.422 174.700 -0.122 0.000 1.049 430 T CA 1.343 63.380 62.100 -0.105 0.000 1.162 430 T CB -0.347 68.468 68.868 -0.088 0.000 0.863 430 T HN 0.027 nan 8.240 nan 0.000 0.424 431 K N 1.158 121.453 120.400 -0.176 0.000 2.365 431 K HA 0.217 4.549 4.320 0.020 0.000 0.199 431 K C 1.414 177.909 176.600 -0.176 0.000 1.045 431 K CA 0.401 56.597 56.287 -0.152 0.000 0.962 431 K CB -0.419 31.993 32.500 -0.146 0.000 0.759 431 K HN 0.641 nan 8.250 nan 0.000 0.469 432 G N 1.844 110.454 108.800 -0.317 0.000 2.314 432 G HA2 -0.223 3.749 3.960 0.020 0.000 0.292 432 G HA3 -0.223 3.749 3.960 0.020 0.000 0.292 432 G C -0.161 174.603 174.900 -0.227 0.000 1.059 432 G CA 0.413 45.357 45.100 -0.260 0.000 0.982 432 G HN 0.226 nan 8.290 nan 0.000 0.505 433 V N -3.690 115.850 119.914 -0.623 0.000 3.048 433 V HA 0.690 4.822 4.120 0.020 0.000 0.303 433 V C -0.271 175.703 176.094 -0.201 0.000 1.214 433 V CA -2.477 59.731 62.300 -0.154 0.000 0.984 433 V CB 1.147 32.953 31.823 -0.027 0.000 1.054 433 V HN 0.327 nan 8.190 nan 0.000 0.430 434 Y N 1.453 121.883 120.300 0.217 0.000 2.480 434 Y HA 0.472 5.034 4.550 0.020 0.000 0.341 434 Y C 0.898 176.895 175.900 0.162 0.000 1.031 434 Y CA 0.276 58.514 58.100 0.230 0.000 1.295 434 Y CB 0.541 39.159 38.460 0.265 0.000 1.162 434 Y HN 0.664 nan 8.280 nan 0.000 0.523 435 E N 3.910 124.226 120.200 0.192 0.000 2.183 435 E HA 0.261 4.623 4.350 0.020 0.000 0.271 435 E C -0.625 175.991 176.600 0.026 0.000 0.919 435 E CA -1.257 55.212 56.400 0.116 0.000 0.781 435 E CB 1.796 31.508 29.700 0.019 0.000 1.140 435 E HN 0.534 nan 8.360 nan 0.000 0.402 436 K N 0.116 120.448 120.400 -0.113 0.000 2.156 436 K HA 0.367 4.699 4.320 0.020 0.000 0.242 436 K C -0.496 176.025 176.600 -0.131 0.000 1.033 436 K CA -0.480 55.652 56.287 -0.259 0.000 0.878 436 K CB 0.596 32.772 32.500 -0.540 0.000 1.057 436 K HN 0.210 nan 8.250 nan 0.000 0.505 437 V N 0.698 120.534 119.914 -0.131 0.000 2.707 437 V HA 0.477 4.609 4.120 0.020 0.000 0.271 437 V C -0.074 175.966 176.094 -0.091 0.000 1.013 437 V CA -0.121 62.125 62.300 -0.090 0.000 0.908 437 V CB 0.306 32.085 31.823 -0.072 0.000 1.051 437 V HN 1.260 nan 8.190 nan 0.000 0.476 438 G N 3.397 112.149 108.800 -0.079 0.000 2.566 438 G HA2 -0.024 3.948 3.960 0.020 0.000 0.599 438 G HA3 -0.024 3.948 3.960 0.020 0.000 0.599 438 G C -0.744 174.110 174.900 -0.077 0.000 1.292 438 G CA -0.927 44.133 45.100 -0.066 0.000 0.922 438 G HN 0.582 nan 8.290 nan 0.000 0.514 439 E N 0.057 120.221 120.200 -0.059 0.000 2.452 439 E HA 0.352 4.714 4.350 0.020 0.000 0.261 439 E C 1.577 178.121 176.600 -0.094 0.000 0.987 439 E CA 0.556 56.921 56.400 -0.059 0.000 0.926 439 E CB 0.854 30.523 29.700 -0.051 0.000 0.934 439 E HN 1.198 nan 8.360 nan 0.000 0.452 440 A N 3.598 126.378 122.820 -0.067 0.000 1.933 440 A HA -0.173 4.158 4.320 0.020 0.000 0.218 440 A C 2.116 179.686 177.584 -0.024 0.000 1.175 440 A CA 1.993 53.996 52.037 -0.057 0.000 0.628 440 A CB -0.530 18.517 19.000 0.078 0.000 0.814 440 A HN 0.630 nan 8.150 nan 0.000 0.444 441 T N 0.198 114.734 114.554 -0.031 0.000 2.684 441 T HA -0.176 4.186 4.350 0.020 0.000 0.267 441 T C 1.742 176.405 174.700 -0.061 0.000 1.036 441 T CA 1.618 63.693 62.100 -0.041 0.000 1.148 441 T CB -0.350 68.463 68.868 -0.092 0.000 0.863 441 T HN 0.632 nan 8.240 nan 0.000 0.436 442 E N 0.518 120.662 120.200 -0.093 0.000 2.085 442 E HA -0.123 4.239 4.350 0.020 0.000 0.194 442 E C 2.448 178.997 176.600 -0.084 0.000 0.994 442 E CA 1.418 57.764 56.400 -0.089 0.000 0.801 442 E CB -0.266 29.380 29.700 -0.089 0.000 0.743 442 E HN 0.417 nan 8.360 nan 0.000 0.453 443 T N 0.785 115.265 114.554 -0.122 0.000 2.812 443 T HA -0.079 4.283 4.350 0.020 0.000 0.264 443 T C 1.992 176.643 174.700 -0.082 0.000 1.042 443 T CA 0.983 62.976 62.100 -0.179 0.000 1.140 443 T CB -0.219 68.405 68.868 -0.407 0.000 0.870 443 T HN 0.253 nan 8.240 nan 0.000 0.445 444 A N 1.792 124.624 122.820 0.020 0.000 1.915 444 A HA -0.165 4.167 4.320 0.020 0.000 0.220 444 A C 2.155 179.762 177.584 0.038 0.000 1.198 444 A CA 1.578 53.694 52.037 0.132 0.000 0.647 444 A CB -1.025 18.046 19.000 0.118 0.000 0.825 444 A HN 0.348 nan 8.150 nan 0.000 0.456 445 L N -0.486 120.731 121.223 -0.010 0.000 1.989 445 L HA -0.166 4.186 4.340 0.020 0.000 0.211 445 L C 2.797 179.642 176.870 -0.041 0.000 1.071 445 L CA 2.549 57.367 54.840 -0.036 0.000 0.749 445 L CB -1.635 40.393 42.059 -0.053 0.000 0.890 445 L HN 0.435 nan 8.230 nan 0.000 0.431 446 T N -1.154 113.375 114.554 -0.043 0.000 2.624 446 T HA -0.258 4.104 4.350 0.020 0.000 0.268 446 T C 1.831 176.510 174.700 -0.035 0.000 1.041 446 T CA 2.154 64.228 62.100 -0.042 0.000 1.159 446 T CB -0.417 68.425 68.868 -0.044 0.000 0.863 446 T HN 0.385 nan 8.240 nan 0.000 0.434 447 T N 2.197 116.742 114.554 -0.014 0.000 2.699 447 T HA -0.115 4.247 4.350 0.020 0.000 0.268 447 T C 1.867 176.544 174.700 -0.039 0.000 1.036 447 T CA 1.218 63.310 62.100 -0.014 0.000 1.147 447 T CB -0.549 68.355 68.868 0.060 0.000 0.862 447 T HN 0.156 nan 8.240 nan 0.000 0.446 448 L N 1.955 123.156 121.223 -0.035 0.000 2.013 448 L HA -0.098 4.254 4.340 0.020 0.000 0.212 448 L C 2.615 179.439 176.870 -0.077 0.000 1.073 448 L CA 1.934 56.740 54.840 -0.057 0.000 0.753 448 L CB -1.020 41.004 42.059 -0.059 0.000 0.890 448 L HN 0.277 nan 8.230 nan 0.000 0.432 449 V N -2.065 117.804 119.914 -0.076 0.000 2.515 449 V HA -0.126 4.005 4.120 0.020 0.000 0.250 449 V C 2.296 178.347 176.094 -0.072 0.000 1.058 449 V CA 1.623 63.872 62.300 -0.085 0.000 1.064 449 V CB -0.712 31.063 31.823 -0.081 0.000 0.675 449 V HN 0.506 nan 8.190 nan 0.000 0.461 450 E N 0.892 121.054 120.200 -0.064 0.000 2.204 450 E HA -0.157 4.205 4.350 0.020 0.000 0.195 450 E C 2.146 178.703 176.600 -0.072 0.000 0.990 450 E CA 1.440 57.802 56.400 -0.063 0.000 0.821 450 E CB -0.172 29.482 29.700 -0.077 0.000 0.750 450 E HN 0.710 nan 8.360 nan 0.000 0.477 451 K N -0.271 120.082 120.400 -0.078 0.000 2.137 451 K HA 0.116 4.448 4.320 0.020 0.000 0.202 451 K C 2.240 178.791 176.600 -0.082 0.000 1.052 451 K CA 0.463 56.705 56.287 -0.076 0.000 0.961 451 K CB 0.053 32.509 32.500 -0.074 0.000 0.741 451 K HN 0.051 nan 8.250 nan 0.000 0.452 452 M N 0.779 120.319 119.600 -0.100 0.000 2.086 452 M HA -0.139 4.352 4.480 0.020 0.000 0.261 452 M C 0.607 176.840 176.300 -0.111 0.000 1.067 452 M CA 0.825 56.048 55.300 -0.128 0.000 1.116 452 M CB -1.048 31.455 32.600 -0.161 0.000 1.348 452 M HN 0.187 nan 8.290 nan 0.000 0.407 453 N N 1.479 120.124 118.700 -0.092 0.000 2.652 453 N HA -0.126 4.626 4.740 0.020 0.000 0.281 453 N C 0.444 175.894 175.510 -0.099 0.000 1.084 453 N CA 0.607 53.617 53.050 -0.066 0.000 0.775 453 N CB -0.372 38.094 38.487 -0.035 0.000 0.923 453 N HN 0.351 nan 8.380 nan 0.000 0.558 454 V N -1.265 118.532 119.914 -0.196 0.000 2.719 454 V HA 0.102 4.234 4.120 0.020 0.000 0.252 454 V C 1.496 177.364 176.094 -0.376 0.000 1.065 454 V CA 1.158 63.255 62.300 -0.337 0.000 1.086 454 V CB -0.585 30.931 31.823 -0.512 0.000 0.700 454 V HN 0.236 nan 8.190 nan 0.000 0.467 455 F N 2.289 122.218 119.950 -0.036 0.000 2.701 455 F HA 0.446 4.985 4.527 0.019 0.000 0.295 455 F C 0.923 176.709 175.800 -0.024 0.000 1.165 455 F CA -1.173 56.810 58.000 -0.029 0.000 1.399 455 F CB -1.390 37.591 39.000 -0.033 0.000 0.996 455 F HN 0.234 nan 8.300 nan 0.000 0.513 456 N N 0.507 119.255 118.700 0.080 0.000 2.700 456 N HA -0.201 4.551 4.740 0.020 0.000 0.265 456 N C -0.095 175.452 175.510 0.061 0.000 0.975 456 N CA 0.958 54.038 53.050 0.050 0.000 0.800 456 N CB -1.589 36.922 38.487 0.039 0.000 0.908 456 N HN 0.193 nan 8.380 nan 0.000 0.551 457 T N 0.380 114.973 114.554 0.066 0.000 2.919 457 T HA 0.086 4.448 4.350 0.020 0.000 0.302 457 T C 0.851 175.565 174.700 0.024 0.000 1.031 457 T CA -0.330 61.799 62.100 0.049 0.000 1.127 457 T CB 1.498 70.397 68.868 0.052 0.000 0.952 457 T HN 0.169 nan 8.240 nan 0.000 0.540 458 E N 2.225 122.435 120.200 0.016 0.000 2.166 458 E HA 0.203 4.565 4.350 0.020 0.000 0.279 458 E C 0.519 177.122 176.600 0.005 0.000 1.095 458 E CA -0.397 56.008 56.400 0.008 0.000 0.888 458 E CB 0.053 29.756 29.700 0.005 0.000 1.041 458 E HN 0.456 nan 8.360 nan 0.000 0.414 459 V N 2.089 122.004 119.914 0.002 0.000 3.497 459 V HA 0.265 4.397 4.120 0.020 0.000 0.272 459 V C 1.650 177.741 176.094 -0.005 0.000 1.474 459 V CA 0.035 62.334 62.300 -0.002 0.000 1.025 459 V CB -0.095 31.725 31.823 -0.005 0.000 0.820 459 V HN 0.479 nan 8.190 nan 0.000 0.437 460 R N 1.682 122.179 120.500 -0.005 0.000 2.200 460 R HA 0.035 4.386 4.340 0.020 0.000 0.234 460 R C 0.712 177.008 176.300 -0.008 0.000 1.127 460 R CA 1.460 57.556 56.100 -0.007 0.000 0.989 460 R CB -0.246 30.051 30.300 -0.005 0.000 0.869 460 R HN 0.533 nan 8.270 nan 0.000 0.459 461 N N 0.642 119.338 118.700 -0.006 0.000 2.558 461 N HA 0.154 4.906 4.740 0.020 0.000 0.281 461 N C -0.877 174.629 175.510 -0.008 0.000 1.219 461 N CA 0.253 53.298 53.050 -0.007 0.000 0.942 461 N CB 0.606 39.090 38.487 -0.005 0.000 1.241 461 N HN 0.088 nan 8.380 nan 0.000 0.511 462 L N 0.454 121.671 121.223 -0.010 0.000 2.386 462 L HA 0.342 4.694 4.340 0.020 0.000 0.271 462 L C 0.565 177.422 176.870 -0.022 0.000 0.993 462 L CA -0.872 53.962 54.840 -0.010 0.000 0.819 462 L CB 1.934 43.992 42.059 -0.003 0.000 1.294 462 L HN 0.034 nan 8.230 nan 0.000 0.414 463 S N 1.224 116.908 115.700 -0.026 0.000 2.566 463 S HA 0.041 4.523 4.470 0.020 0.000 0.280 463 S C 0.910 175.455 174.600 -0.093 0.000 1.343 463 S CA -0.316 57.851 58.200 -0.054 0.000 1.036 463 S CB 0.711 63.889 63.200 -0.037 0.000 0.866 463 S HN 0.692 nan 8.310 nan 0.000 0.526 464 K N 0.996 121.268 120.400 -0.214 0.000 2.286 464 K HA -0.106 4.226 4.320 0.020 0.000 0.203 464 K C 1.799 178.187 176.600 -0.354 0.000 1.045 464 K CA 1.325 57.353 56.287 -0.431 0.000 0.935 464 K CB -0.524 31.353 32.500 -1.039 0.000 0.737 464 K HN 0.517 nan 8.250 nan 0.000 0.460 465 V N 1.399 121.217 119.914 -0.161 0.000 2.283 465 V HA -0.225 3.907 4.120 0.020 0.000 0.243 465 V C 1.851 177.985 176.094 0.066 0.000 1.039 465 V CA 1.790 64.102 62.300 0.019 0.000 1.016 465 V CB -0.308 31.548 31.823 0.056 0.000 0.650 465 V HN 0.344 nan 8.190 nan 0.000 0.449 466 E N 0.114 120.336 120.200 0.036 0.000 2.106 466 E HA -0.237 4.125 4.350 0.020 0.000 0.192 466 E C 2.273 178.908 176.600 0.058 0.000 0.984 466 E CA 0.983 57.409 56.400 0.044 0.000 0.806 466 E CB -0.257 29.456 29.700 0.021 0.000 0.750 466 E HN 0.307 nan 8.360 nan 0.000 0.458 467 R N 1.419 121.954 120.500 0.057 0.000 2.303 467 R HA -0.102 4.250 4.340 0.020 0.000 0.225 467 R C 1.785 178.131 176.300 0.076 0.000 1.114 467 R CA 1.217 57.350 56.100 0.054 0.000 1.007 467 R CB -0.425 29.902 30.300 0.046 0.000 0.861 467 R HN 0.197 nan 8.270 nan 0.000 0.471 468 A N -0.175 122.751 122.820 0.175 0.000 1.929 468 A HA -0.031 4.301 4.320 0.020 0.000 0.216 468 A C 1.543 179.179 177.584 0.088 0.000 1.176 468 A CA 1.459 53.621 52.037 0.209 0.000 0.628 468 A CB -0.082 19.149 19.000 0.385 0.000 0.816 468 A HN 0.466 nan 8.150 nan 0.000 0.444 469 N N -1.504 117.241 118.700 0.074 0.000 2.159 469 N HA 0.213 4.965 4.740 0.020 0.000 0.217 469 N C 1.578 177.104 175.510 0.027 0.000 1.223 469 N CA 0.737 53.815 53.050 0.046 0.000 0.896 469 N CB 0.402 38.925 38.487 0.060 0.000 1.064 469 N HN 0.345 nan 8.380 nan 0.000 0.518 470 A N 1.281 124.116 122.820 0.026 0.000 1.882 470 A HA -0.285 4.047 4.320 0.020 0.000 0.220 470 A C 2.483 180.076 177.584 0.015 0.000 1.253 470 A CA 1.965 54.012 52.037 0.017 0.000 0.664 470 A CB -1.194 17.814 19.000 0.013 0.000 0.838 470 A HN 0.423 nan 8.150 nan 0.000 0.460 471 C N -0.895 118.412 119.300 0.012 0.000 2.455 471 C HA -0.115 4.357 4.460 0.020 0.000 0.281 471 C C 2.671 177.675 174.990 0.023 0.000 1.237 471 C CA 0.991 60.022 59.018 0.022 0.000 1.726 471 C CB -1.774 25.968 27.740 0.002 0.000 2.068 471 C HN 0.689 nan 8.230 nan 0.000 0.466 472 N N 1.281 119.983 118.700 0.003 0.000 2.111 472 N HA -0.172 4.580 4.740 0.020 0.000 0.197 472 N C 1.795 177.307 175.510 0.002 0.000 1.011 472 N CA 2.104 55.152 53.050 -0.004 0.000 0.880 472 N CB -0.463 38.019 38.487 -0.008 0.000 1.031 472 N HN 0.536 nan 8.380 nan 0.000 0.444 473 S N 0.590 116.294 115.700 0.007 0.000 2.356 473 S HA -0.074 4.407 4.470 0.020 0.000 0.223 473 S C 2.317 176.912 174.600 -0.008 0.000 1.032 473 S CA 0.861 59.061 58.200 0.001 0.000 1.005 473 S CB -0.470 62.732 63.200 0.003 0.000 0.867 473 S HN 0.106 nan 8.310 nan 0.000 0.449 474 V N 2.814 122.729 119.914 0.001 0.000 2.220 474 V HA -0.250 3.882 4.120 0.020 0.000 0.250 474 V C 2.192 178.272 176.094 -0.023 0.000 1.056 474 V CA 1.893 64.185 62.300 -0.013 0.000 1.016 474 V CB -0.734 31.111 31.823 0.037 0.000 0.639 474 V HN 0.473 nan 8.190 nan 0.000 0.446 475 I N -0.703 119.891 120.570 0.040 0.000 2.248 475 I HA -0.321 3.861 4.170 0.020 0.000 0.248 475 I C 2.740 178.844 176.117 -0.022 0.000 1.107 475 I CA 1.799 63.123 61.300 0.040 0.000 1.373 475 I CB -0.604 37.414 38.000 0.031 0.000 1.055 475 I HN 0.314 nan 8.210 nan 0.000 0.418 476 R N 0.424 120.910 120.500 -0.023 0.000 2.115 476 R HA -0.168 4.184 4.340 0.020 0.000 0.230 476 R C 2.100 178.382 176.300 -0.030 0.000 1.111 476 R CA 1.075 57.160 56.100 -0.025 0.000 0.976 476 R CB -0.156 30.135 30.300 -0.015 0.000 0.870 476 R HN 0.526 nan 8.270 nan 0.000 0.445 477 Q N 0.195 119.969 119.800 -0.043 0.000 2.435 477 Q HA -0.036 4.316 4.340 0.020 0.000 0.207 477 Q C 1.828 177.789 176.000 -0.065 0.000 0.956 477 Q CA 0.518 56.289 55.803 -0.053 0.000 0.917 477 Q CB 0.211 28.910 28.738 -0.064 0.000 0.997 477 Q HN 0.321 nan 8.270 nan 0.000 0.497 478 L N -0.630 120.549 121.223 -0.073 0.000 2.477 478 L HA 0.182 4.534 4.340 0.020 0.000 0.220 478 L C -0.093 176.758 176.870 -0.032 0.000 1.106 478 L CA 0.226 55.016 54.840 -0.083 0.000 0.851 478 L CB 0.552 42.538 42.059 -0.122 0.000 0.994 478 L HN 0.089 nan 8.230 nan 0.000 0.462 479 M N 0.106 119.699 119.600 -0.012 0.000 2.531 479 M HA 0.309 4.801 4.480 0.020 0.000 0.286 479 M C -1.231 175.080 176.300 0.018 0.000 1.232 479 M CA -0.426 54.887 55.300 0.022 0.000 0.877 479 M CB 2.152 34.797 32.600 0.075 0.000 1.726 479 M HN -0.192 nan 8.290 nan 0.000 0.463 480 K N 1.896 122.311 120.400 0.025 0.000 2.240 480 K HA 0.297 4.629 4.320 0.020 0.000 0.271 480 K C -0.533 176.088 176.600 0.035 0.000 1.018 480 K CA -0.347 55.956 56.287 0.027 0.000 0.874 480 K CB 1.227 33.744 32.500 0.028 0.000 1.098 480 K HN 0.567 nan 8.250 nan 0.000 0.458 481 K N 4.553 124.973 120.400 0.033 0.000 2.278 481 K HA 0.004 4.336 4.320 0.020 0.000 0.289 481 K C 0.490 177.112 176.600 0.037 0.000 1.080 481 K CA -0.187 56.116 56.287 0.027 0.000 0.934 481 K CB 0.659 33.176 32.500 0.028 0.000 1.093 481 K HN 0.585 nan 8.250 nan 0.000 0.459 482 E N 3.153 123.373 120.200 0.033 0.000 2.015 482 E HA -0.084 4.278 4.350 0.020 0.000 0.191 482 E C 0.518 177.225 176.600 0.178 0.000 0.991 482 E CA 1.271 57.737 56.400 0.110 0.000 0.802 482 E CB -0.102 29.715 29.700 0.195 0.000 0.759 482 E HN 0.557 nan 8.360 nan 0.000 0.447 483 F N -1.981 118.006 119.950 0.063 0.000 2.789 483 F HA 0.596 5.134 4.527 0.017 0.000 0.319 483 F C -0.586 175.234 175.800 0.032 0.000 1.168 483 F CA -1.203 56.806 58.000 0.014 0.000 0.934 483 F CB 1.589 40.555 39.000 -0.057 0.000 1.375 483 F HN -0.234 nan 8.300 nan 0.000 0.480 484 T N 0.792 115.490 114.554 0.241 0.000 2.893 484 T HA 0.631 4.993 4.350 0.020 0.000 0.293 484 T C -1.482 173.297 174.700 0.132 0.000 1.027 484 T CA -0.749 61.415 62.100 0.107 0.000 0.988 484 T CB 1.373 70.287 68.868 0.077 0.000 1.043 484 T HN 0.835 nan 8.240 nan 0.000 0.461 485 L N 3.923 125.159 121.223 0.021 0.000 2.314 485 L HA 0.391 4.743 4.340 0.020 0.000 0.275 485 L C 0.143 177.043 176.870 0.051 0.000 1.068 485 L CA -0.976 53.762 54.840 -0.170 0.000 0.894 485 L CB 0.225 42.087 42.059 -0.328 0.000 1.275 485 L HN 0.736 nan 8.230 nan 0.000 0.432 486 E N 1.741 122.018 120.200 0.129 0.000 2.604 486 E HA -0.134 4.228 4.350 0.020 0.000 0.267 486 E C -0.242 176.493 176.600 0.226 0.000 0.970 486 E CA 0.174 56.685 56.400 0.185 0.000 0.956 486 E CB 0.225 30.030 29.700 0.176 0.000 0.939 486 E HN 0.326 nan 8.360 nan 0.000 0.465 487 F N 2.451 122.463 119.950 0.104 0.000 2.602 487 F HA 0.047 4.587 4.527 0.023 0.000 0.385 487 F C 0.190 176.053 175.800 0.106 0.000 1.063 487 F CA 0.275 58.335 58.000 0.100 0.000 1.233 487 F CB 0.487 39.530 39.000 0.072 0.000 1.067 487 F HN 0.277 nan 8.300 nan 0.000 0.564 488 S N 5.766 121.049 115.700 -0.695 0.000 2.521 488 S HA 0.410 4.892 4.470 0.020 0.000 0.295 488 S C 0.568 174.697 174.600 -0.786 0.000 1.098 488 S CA -0.918 56.909 58.200 -0.622 0.000 0.999 488 S CB 1.630 64.713 63.200 -0.195 0.000 1.034 488 S HN 0.903 nan 8.310 nan 0.000 0.483 489 R N 1.383 121.528 120.500 -0.593 0.000 2.307 489 R HA 0.019 4.371 4.340 0.020 0.000 0.199 489 R C 1.264 177.493 176.300 -0.118 0.000 1.000 489 R CA 1.311 57.211 56.100 -0.333 0.000 1.023 489 R CB 0.035 30.255 30.300 -0.133 0.000 0.908 489 R HN 0.796 nan 8.270 nan 0.000 0.473 490 D N 0.264 120.593 120.400 -0.119 0.000 2.154 490 D HA -0.196 4.456 4.640 0.020 0.000 0.211 490 D C 1.730 178.028 176.300 -0.003 0.000 0.977 490 D CA 0.898 54.875 54.000 -0.037 0.000 0.869 490 D CB -0.548 40.223 40.800 -0.049 0.000 1.022 490 D HN 0.180 nan 8.370 nan 0.000 0.461 491 R N 1.273 121.764 120.500 -0.016 0.000 2.148 491 R HA -0.092 4.260 4.340 0.020 0.000 0.227 491 R C 0.405 176.751 176.300 0.077 0.000 1.103 491 R CA 0.998 57.119 56.100 0.035 0.000 0.983 491 R CB -0.473 29.857 30.300 0.051 0.000 0.874 491 R HN 0.042 nan 8.270 nan 0.000 0.451 492 K N 0.922 121.353 120.400 0.053 0.000 3.117 492 K HA -0.176 4.156 4.320 0.020 0.000 0.269 492 K C -0.757 176.061 176.600 0.362 0.000 1.098 492 K CA 0.694 57.119 56.287 0.231 0.000 0.785 492 K CB -1.732 30.897 32.500 0.215 0.000 1.242 492 K HN 0.671 nan 8.250 nan 0.000 0.491 493 S N -0.872 115.028 115.700 0.334 0.000 2.656 493 S HA 0.809 5.291 4.470 0.020 0.000 0.273 493 S C -0.906 173.923 174.600 0.383 0.000 1.168 493 S CA -1.132 57.274 58.200 0.342 0.000 0.817 493 S CB 2.798 66.122 63.200 0.206 0.000 1.146 493 S HN 0.273 nan 8.310 nan 0.000 0.475 494 M N 2.004 121.776 119.600 0.288 0.000 2.421 494 M HA 0.599 5.091 4.480 0.020 0.000 0.287 494 M C -1.588 174.807 176.300 0.158 0.000 1.183 494 M CA -0.177 55.274 55.300 0.252 0.000 0.916 494 M CB 2.051 34.819 32.600 0.281 0.000 1.701 494 M HN 1.239 nan 8.290 nan 0.000 0.470 495 S N 2.648 118.424 115.700 0.125 0.000 2.651 495 S HA 0.896 5.378 4.470 0.020 0.000 0.279 495 S C -1.802 172.823 174.600 0.042 0.000 1.148 495 S CA -0.754 57.497 58.200 0.084 0.000 0.837 495 S CB 2.347 65.594 63.200 0.079 0.000 1.138 495 S HN 0.680 nan 8.310 nan 0.000 0.478 496 V N 1.650 121.568 119.914 0.008 0.000 2.668 496 V HA 0.487 4.619 4.120 0.020 0.000 0.304 496 V C -2.076 173.917 176.094 -0.169 0.000 1.071 496 V CA -0.632 61.642 62.300 -0.044 0.000 0.894 496 V CB 1.858 33.718 31.823 0.062 0.000 1.008 496 V HN 0.955 nan 8.190 nan 0.000 0.425 497 Y N 5.739 125.712 120.300 -0.546 0.000 2.367 497 Y HA 0.611 5.172 4.550 0.018 0.000 0.342 497 Y C 0.058 175.715 175.900 -0.404 0.000 0.979 497 Y CA -0.145 57.559 58.100 -0.661 0.000 1.161 497 Y CB 0.873 38.456 38.460 -1.462 0.000 1.155 497 Y HN 0.703 nan 8.280 nan 0.000 0.503 498 C N 3.917 122.944 119.300 -0.455 0.000 2.634 498 C HA 0.771 5.243 4.460 0.020 0.000 0.313 498 C C -0.370 174.503 174.990 -0.195 0.000 1.198 498 C CA -0.825 58.093 59.018 -0.167 0.000 1.605 498 C CB 1.044 28.830 27.740 0.076 0.000 2.196 498 C HN 0.899 nan 8.230 nan 0.000 0.486 499 S N 1.893 117.566 115.700 -0.045 0.000 2.648 499 S HA 0.752 5.234 4.470 0.020 0.000 0.305 499 S C -3.135 171.464 174.600 -0.001 0.000 1.094 499 S CA -1.282 56.901 58.200 -0.028 0.000 0.983 499 S CB 1.337 64.552 63.200 0.024 0.000 1.101 499 S HN 0.618 nan 8.310 nan 0.000 0.514 500 P HA 0.156 nan 4.420 nan 0.000 0.266 500 P C 0.635 177.935 177.300 0.000 0.000 1.195 500 P CA 0.029 63.129 63.100 0.001 0.000 0.768 500 P CB 0.497 32.194 31.700 -0.005 0.000 0.838 501 A N 5.519 128.335 122.820 -0.006 0.000 1.881 501 A HA -0.182 4.150 4.320 0.020 0.000 0.208 501 A C 1.892 179.469 177.584 -0.012 0.000 1.264 501 A CA 1.592 53.622 52.037 -0.012 0.000 0.629 501 A CB -1.455 17.528 19.000 -0.029 0.000 0.906 501 A HN 0.507 nan 8.150 nan 0.000 0.476 502 K N -0.125 120.263 120.400 -0.020 0.000 2.520 502 K HA -0.071 4.261 4.320 0.020 0.000 0.198 502 K C 0.786 177.380 176.600 -0.010 0.000 1.045 502 K CA 0.898 57.175 56.287 -0.018 0.000 0.934 502 K CB -0.198 32.287 32.500 -0.024 0.000 0.766 502 K HN 0.526 nan 8.250 nan 0.000 0.483 503 S N -0.813 114.883 115.700 -0.007 0.000 3.361 503 S HA -0.218 4.264 4.470 0.020 0.000 0.288 503 S C 1.033 175.630 174.600 -0.005 0.000 1.269 503 S CA 0.645 58.844 58.200 -0.002 0.000 0.976 503 S CB -1.751 61.450 63.200 0.002 0.000 1.162 503 S HN 0.488 nan 8.310 nan 0.000 0.643 504 S N 0.584 116.278 115.700 -0.010 0.000 2.389 504 S HA -0.135 4.347 4.470 0.020 0.000 0.231 504 S C 0.887 175.482 174.600 -0.008 0.000 1.052 504 S CA 1.506 59.699 58.200 -0.011 0.000 1.053 504 S CB -0.126 63.065 63.200 -0.016 0.000 0.886 504 S HN 0.720 nan 8.310 nan 0.000 0.456 505 R N 0.009 120.505 120.500 -0.007 0.000 2.518 505 R HA 0.539 4.891 4.340 0.020 0.000 0.296 505 R C -1.174 175.124 176.300 -0.003 0.000 1.080 505 R CA -0.255 55.842 56.100 -0.005 0.000 0.922 505 R CB 1.692 31.988 30.300 -0.007 0.000 1.184 505 R HN 0.207 nan 8.270 nan 0.000 0.445 506 A N 1.811 124.631 122.820 -0.000 0.000 2.366 506 A HA 0.571 4.903 4.320 0.020 0.000 0.272 506 A C 1.142 178.727 177.584 0.002 0.000 1.135 506 A CA 0.578 52.617 52.037 0.004 0.000 0.804 506 A CB 0.502 19.506 19.000 0.007 0.000 1.064 506 A HN 1.157 nan 8.150 nan 0.000 0.499 507 A N 1.631 124.452 122.820 0.003 0.000 3.396 507 A HA -0.170 4.162 4.320 0.020 0.000 0.267 507 A C 1.394 178.972 177.584 -0.010 0.000 1.139 507 A CA 1.105 53.142 52.037 -0.001 0.000 1.115 507 A CB -2.325 16.677 19.000 0.003 0.000 1.133 507 A HN 1.988 nan 8.150 nan 0.000 0.920 508 V N -0.466 119.441 119.914 -0.012 0.000 3.383 508 V HA 0.396 4.528 4.120 0.020 0.000 0.272 508 V C 1.120 177.199 176.094 -0.025 0.000 1.181 508 V CA 2.293 64.584 62.300 -0.015 0.000 1.171 508 V CB -0.415 31.401 31.823 -0.011 0.000 0.800 508 V HN 2.449 nan 8.190 nan 0.000 0.515 509 G N 0.581 109.359 108.800 -0.036 0.000 2.789 509 G HA2 -0.081 3.891 3.960 0.020 0.000 0.353 509 G HA3 -0.081 3.891 3.960 0.020 0.000 0.353 509 G C -0.938 173.905 174.900 -0.095 0.000 1.220 509 G CA -0.682 44.381 45.100 -0.062 0.000 1.204 509 G HN 0.258 nan 8.290 nan 0.000 0.574 510 N N 1.141 119.764 118.700 -0.128 0.000 2.524 510 N HA 0.676 5.428 4.740 0.020 0.000 0.283 510 N C 0.106 175.387 175.510 -0.383 0.000 1.142 510 N CA -0.106 52.800 53.050 -0.240 0.000 0.984 510 N CB 1.263 39.628 38.487 -0.204 0.000 1.155 510 N HN 0.436 nan 8.380 nan 0.000 0.467 511 K N 1.194 121.244 120.400 -0.584 0.000 2.443 511 K HA 0.506 4.838 4.320 0.020 0.000 0.251 511 K C -0.600 175.421 176.600 -0.965 0.000 0.972 511 K CA -0.484 55.352 56.287 -0.751 0.000 0.833 511 K CB 2.018 33.985 32.500 -0.889 0.000 1.317 511 K HN 0.483 nan 8.250 nan 0.000 0.441 512 M N 1.795 120.891 119.600 -0.839 0.000 2.259 512 M HA 0.428 4.920 4.480 0.020 0.000 0.304 512 M C -1.201 174.716 176.300 -0.639 0.000 1.019 512 M CA -0.669 54.250 55.300 -0.635 0.000 0.922 512 M CB 1.109 33.531 32.600 -0.297 0.000 1.600 512 M HN 0.338 nan 8.290 nan 0.000 0.433 513 F N 2.269 122.152 119.950 -0.112 0.000 2.421 513 F HA 0.700 5.239 4.527 0.020 0.000 0.337 513 F C -0.038 175.737 175.800 -0.042 0.000 1.105 513 F CA -0.873 57.081 58.000 -0.076 0.000 1.049 513 F CB 1.147 40.098 39.000 -0.082 0.000 1.139 513 F HN 0.143 nan 8.300 nan 0.000 0.479 514 V N 2.641 122.641 119.914 0.143 0.000 2.769 514 V HA 0.617 4.749 4.120 0.020 0.000 0.312 514 V C -0.670 175.468 176.094 0.073 0.000 1.061 514 V CA -1.159 61.199 62.300 0.097 0.000 0.931 514 V CB 2.217 34.089 31.823 0.082 0.000 1.010 514 V HN 0.738 nan 8.190 nan 0.000 0.433 515 K N 1.708 122.154 120.400 0.076 0.000 2.550 515 K HA 0.737 5.069 4.320 0.020 0.000 0.252 515 K C -0.664 175.981 176.600 0.077 0.000 0.943 515 K CA -0.045 56.269 56.287 0.044 0.000 0.806 515 K CB 2.227 34.737 32.500 0.017 0.000 1.289 515 K HN 1.074 nan 8.250 nan 0.000 0.435 516 G N 1.133 109.975 108.800 0.069 0.000 2.430 516 G HA2 0.524 4.495 3.960 0.020 0.000 0.300 516 G HA3 0.524 4.495 3.960 0.020 0.000 0.300 516 G C -1.625 173.337 174.900 0.103 0.000 1.330 516 G CA -0.423 44.746 45.100 0.115 0.000 0.813 516 G HN 0.642 nan 8.290 nan 0.000 0.487 517 A N 0.670 123.572 122.820 0.137 0.000 2.492 517 A HA 0.599 4.931 4.320 0.020 0.000 0.254 517 A C -0.778 176.874 177.584 0.112 0.000 1.091 517 A CA -0.364 51.745 52.037 0.120 0.000 0.768 517 A CB 0.181 19.264 19.000 0.137 0.000 1.028 517 A HN 0.331 nan 8.150 nan 0.000 0.498 518 P HA -0.293 nan 4.420 nan 0.000 0.216 518 P C 1.491 178.848 177.300 0.095 0.000 1.167 518 P CA 2.027 65.193 63.100 0.110 0.000 0.914 518 P CB 0.035 31.797 31.700 0.103 0.000 0.793 519 E N -0.608 119.639 120.200 0.078 0.000 2.068 519 E HA -0.220 4.142 4.350 0.020 0.000 0.207 519 E C 2.311 178.952 176.600 0.067 0.000 1.032 519 E CA 2.242 58.679 56.400 0.061 0.000 0.839 519 E CB -1.942 27.791 29.700 0.056 0.000 0.758 519 E HN 0.294 nan 8.360 nan 0.000 0.457 520 G N 1.096 109.944 108.800 0.081 0.000 2.408 520 G HA2 -0.144 3.828 3.960 0.020 0.000 0.217 520 G HA3 -0.144 3.828 3.960 0.020 0.000 0.217 520 G C 1.855 176.808 174.900 0.089 0.000 1.150 520 G CA 1.057 46.206 45.100 0.082 0.000 0.776 520 G HN 0.228 nan 8.290 nan 0.000 0.542 521 V N 1.183 121.160 119.914 0.105 0.000 2.283 521 V HA -0.083 4.048 4.120 0.020 0.000 0.243 521 V C 2.797 178.964 176.094 0.121 0.000 1.039 521 V CA 1.309 63.679 62.300 0.118 0.000 1.016 521 V CB -0.343 31.559 31.823 0.132 0.000 0.650 521 V HN 0.380 nan 8.190 nan 0.000 0.449 522 I N 0.378 121.022 120.570 0.122 0.000 2.194 522 I HA -0.293 3.889 4.170 0.020 0.000 0.246 522 I C 2.209 178.356 176.117 0.049 0.000 1.093 522 I CA 1.771 63.126 61.300 0.092 0.000 1.355 522 I CB -0.648 37.376 38.000 0.041 0.000 1.046 522 I HN 0.360 nan 8.210 nan 0.000 0.413 523 D N 0.751 121.177 120.400 0.042 0.000 2.221 523 D HA -0.152 4.500 4.640 0.020 0.000 0.204 523 D C 2.049 178.367 176.300 0.031 0.000 0.982 523 D CA 1.111 55.127 54.000 0.027 0.000 0.857 523 D CB -0.250 40.567 40.800 0.028 0.000 0.934 523 D HN 0.350 nan 8.370 nan 0.000 0.475 524 R N -0.569 119.963 120.500 0.053 0.000 2.320 524 R HA 0.156 4.508 4.340 0.020 0.000 0.211 524 R C -0.034 176.300 176.300 0.056 0.000 0.931 524 R CA -0.174 55.959 56.100 0.055 0.000 1.071 524 R CB 0.242 30.586 30.300 0.074 0.000 1.025 524 R HN 0.040 nan 8.270 nan 0.000 0.495 525 C N 1.282 120.617 119.300 0.058 0.000 2.325 525 C HA 0.243 4.715 4.460 0.020 0.000 0.347 525 C C 1.243 176.212 174.990 -0.035 0.000 1.263 525 C CA -0.866 58.191 59.018 0.065 0.000 1.806 525 C CB 0.479 28.303 27.740 0.141 0.000 2.405 525 C HN 0.478 nan 8.230 nan 0.000 0.537 526 N N 0.993 119.606 118.700 -0.146 0.000 2.409 526 N HA 0.077 4.829 4.740 0.020 0.000 0.174 526 N C -0.374 174.789 175.510 -0.578 0.000 1.037 526 N CA 0.897 53.683 53.050 -0.441 0.000 0.898 526 N CB 0.217 38.280 38.487 -0.706 0.000 1.010 526 N HN 0.709 nan 8.380 nan 0.000 0.445 527 Y N -0.971 119.366 120.300 0.063 0.000 2.598 527 Y HA 0.594 5.157 4.550 0.023 0.000 0.340 527 Y C -0.114 175.853 175.900 0.111 0.000 1.038 527 Y CA -1.131 57.010 58.100 0.069 0.000 1.100 527 Y CB 1.488 39.983 38.460 0.058 0.000 1.281 527 Y HN -0.430 nan 8.280 nan 0.000 0.488 528 V N 1.833 121.920 119.914 0.288 0.000 2.443 528 V HA 0.424 4.556 4.120 0.020 0.000 0.293 528 V C -0.472 175.757 176.094 0.226 0.000 1.021 528 V CA -0.981 61.480 62.300 0.269 0.000 0.848 528 V CB 1.387 33.317 31.823 0.177 0.000 0.998 528 V HN 0.644 nan 8.190 nan 0.000 0.424 529 R N 4.148 124.777 120.500 0.215 0.000 2.449 529 R HA 0.412 4.763 4.340 0.020 0.000 0.296 529 R C -0.988 175.398 176.300 0.145 0.000 1.047 529 R CA 0.221 56.404 56.100 0.137 0.000 1.018 529 R CB 0.769 31.122 30.300 0.088 0.000 0.962 529 R HN 0.484 nan 8.270 nan 0.000 0.428 530 V N 6.792 126.774 119.914 0.114 0.000 2.304 530 V HA 0.441 4.573 4.120 0.020 0.000 0.278 530 V C 1.224 177.375 176.094 0.096 0.000 1.018 530 V CA 0.212 62.580 62.300 0.114 0.000 0.814 530 V CB 0.354 32.238 31.823 0.102 0.000 1.021 530 V HN 1.101 nan 8.190 nan 0.000 0.440 531 G N 5.283 114.147 108.800 0.107 0.000 2.686 531 G HA2 -0.381 3.590 3.960 0.020 0.000 0.329 531 G HA3 -0.381 3.590 3.960 0.020 0.000 0.329 531 G C 1.037 175.974 174.900 0.061 0.000 1.187 531 G CA 1.112 46.265 45.100 0.089 0.000 0.965 531 G HN 0.601 nan 8.290 nan 0.000 0.549 532 T N 1.527 116.109 114.554 0.047 0.000 3.060 532 T HA 0.372 4.734 4.350 0.020 0.000 0.249 532 T C 1.287 176.005 174.700 0.029 0.000 1.079 532 T CA 1.446 63.566 62.100 0.033 0.000 1.013 532 T CB -0.135 68.748 68.868 0.025 0.000 0.975 532 T HN 0.593 nan 8.240 nan 0.000 0.518 533 T N 1.962 116.540 114.554 0.039 0.000 2.788 533 T HA 0.450 4.812 4.350 0.020 0.000 0.280 533 T C -0.051 174.674 174.700 0.041 0.000 0.984 533 T CA -0.457 61.664 62.100 0.036 0.000 0.972 533 T CB 0.913 69.809 68.868 0.047 0.000 1.039 533 T HN 0.052 nan 8.240 nan 0.000 0.530 534 R N 0.613 121.132 120.500 0.033 0.000 2.548 534 R HA 0.598 4.950 4.340 0.020 0.000 0.280 534 R C -1.718 174.625 176.300 0.071 0.000 1.061 534 R CA -0.587 55.538 56.100 0.043 0.000 0.915 534 R CB 1.510 31.784 30.300 -0.043 0.000 1.210 534 R HN 0.558 nan 8.270 nan 0.000 0.442 535 V N 0.808 120.803 119.914 0.134 0.000 3.130 535 V HA 0.726 4.858 4.120 0.020 0.000 0.310 535 V C -2.878 173.349 176.094 0.223 0.000 1.158 535 V CA -2.562 59.828 62.300 0.149 0.000 1.029 535 V CB 2.120 34.004 31.823 0.102 0.000 1.057 535 V HN 0.606 nan 8.190 nan 0.000 0.436 536 P HA 0.291 nan 4.420 nan 0.000 0.268 536 P C -0.455 176.874 177.300 0.049 0.000 1.205 536 P CA -0.130 63.047 63.100 0.127 0.000 0.771 536 P CB 0.292 32.036 31.700 0.072 0.000 0.858 537 M N 3.682 123.271 119.600 -0.020 0.000 2.246 537 M HA 0.229 4.721 4.480 0.020 0.000 0.350 537 M C -0.070 176.203 176.300 -0.044 0.000 1.406 537 M CA 0.865 56.144 55.300 -0.034 0.000 1.089 537 M CB -0.282 32.280 32.600 -0.064 0.000 1.782 537 M HN 0.464 nan 8.290 nan 0.000 0.457 538 T N 1.622 116.151 114.554 -0.040 0.000 2.910 538 T HA 0.727 5.089 4.350 0.020 0.000 0.287 538 T C 0.969 175.639 174.700 -0.050 0.000 1.050 538 T CA -0.542 61.536 62.100 -0.038 0.000 1.011 538 T CB 1.134 69.989 68.868 -0.022 0.000 1.195 538 T HN 0.694 nan 8.240 nan 0.000 0.540 539 G N 1.078 109.854 108.800 -0.041 0.000 2.628 539 G HA2 -0.098 3.874 3.960 0.020 0.000 0.217 539 G HA3 -0.098 3.874 3.960 0.020 0.000 0.217 539 G C -0.888 173.977 174.900 -0.058 0.000 1.240 539 G CA 1.122 46.195 45.100 -0.045 0.000 0.792 539 G HN 0.668 nan 8.290 nan 0.000 0.593 540 P HA -0.073 nan 4.420 nan 0.000 0.216 540 P C 2.137 179.374 177.300 -0.105 0.000 1.150 540 P CA 1.034 64.094 63.100 -0.068 0.000 0.843 540 P CB -0.159 31.512 31.700 -0.047 0.000 0.787 541 V N 0.308 120.159 119.914 -0.105 0.000 2.237 541 V HA -0.279 3.852 4.120 0.020 0.000 0.245 541 V C 2.518 178.509 176.094 -0.171 0.000 1.046 541 V CA 1.972 64.189 62.300 -0.139 0.000 1.007 541 V CB -1.040 30.718 31.823 -0.109 0.000 0.638 541 V HN 0.113 nan 8.190 nan 0.000 0.445 542 K N -0.050 120.261 120.400 -0.148 0.000 2.000 542 K HA -0.302 4.030 4.320 0.020 0.000 0.218 542 K C 2.187 178.702 176.600 -0.142 0.000 1.053 542 K CA 2.471 58.667 56.287 -0.152 0.000 0.946 542 K CB -0.296 32.142 32.500 -0.103 0.000 0.723 542 K HN 0.558 nan 8.250 nan 0.000 0.446 543 E N 0.177 120.308 120.200 -0.114 0.000 2.086 543 E HA -0.243 4.119 4.350 0.020 0.000 0.200 543 E C 2.129 178.647 176.600 -0.137 0.000 1.012 543 E CA 1.171 57.508 56.400 -0.106 0.000 0.812 543 E CB -0.018 29.631 29.700 -0.085 0.000 0.743 543 E HN 0.143 nan 8.360 nan 0.000 0.453 544 K N 1.025 121.326 120.400 -0.165 0.000 2.001 544 K HA -0.177 4.155 4.320 0.020 0.000 0.214 544 K C 2.067 178.517 176.600 -0.251 0.000 1.050 544 K CA 1.300 57.459 56.287 -0.213 0.000 0.934 544 K CB -0.603 31.752 32.500 -0.242 0.000 0.718 544 K HN 0.172 nan 8.250 nan 0.000 0.443 545 I N 1.119 121.548 120.570 -0.236 0.000 2.069 545 I HA -0.356 3.826 4.170 0.020 0.000 0.237 545 I C 2.487 178.520 176.117 -0.140 0.000 1.053 545 I CA 1.410 62.597 61.300 -0.189 0.000 1.311 545 I CB -0.661 37.179 38.000 -0.267 0.000 1.030 545 I HN 0.119 nan 8.210 nan 0.000 0.398 546 L N 1.011 122.161 121.223 -0.121 0.000 2.051 546 L HA -0.263 4.089 4.340 0.020 0.000 0.214 546 L C 2.924 179.733 176.870 -0.102 0.000 1.076 546 L CA 2.060 56.852 54.840 -0.080 0.000 0.758 546 L CB -0.826 41.193 42.059 -0.066 0.000 0.890 546 L HN 0.471 nan 8.230 nan 0.000 0.433 547 S N -0.827 114.790 115.700 -0.138 0.000 2.382 547 S HA -0.120 4.362 4.470 0.020 0.000 0.228 547 S C 1.838 176.320 174.600 -0.198 0.000 1.027 547 S CA 1.181 59.297 58.200 -0.140 0.000 0.991 547 S CB -0.706 62.412 63.200 -0.137 0.000 0.823 547 S HN 0.208 nan 8.310 nan 0.000 0.469 548 V N 1.796 121.514 119.914 -0.327 0.000 2.548 548 V HA -0.026 4.105 4.120 0.020 0.000 0.249 548 V C 2.377 178.162 176.094 -0.515 0.000 1.055 548 V CA 1.357 63.328 62.300 -0.549 0.000 1.065 548 V CB -0.803 30.444 31.823 -0.959 0.000 0.681 548 V HN 0.468 nan 8.190 nan 0.000 0.462 549 I N 0.104 120.522 120.570 -0.253 0.000 2.163 549 I HA -0.243 3.939 4.170 0.020 0.000 0.240 549 I C 2.608 178.733 176.117 0.014 0.000 1.081 549 I CA 1.671 62.934 61.300 -0.062 0.000 1.353 549 I CB -0.366 37.647 38.000 0.022 0.000 1.054 549 I HN 0.223 nan 8.210 nan 0.000 0.407 550 K N 1.375 121.766 120.400 -0.015 0.000 2.059 550 K HA -0.298 4.034 4.320 0.020 0.000 0.212 550 K C 2.000 178.625 176.600 0.042 0.000 1.050 550 K CA 2.099 58.394 56.287 0.012 0.000 0.927 550 K CB -0.338 32.152 32.500 -0.017 0.000 0.714 550 K HN 0.396 nan 8.250 nan 0.000 0.447 551 E N -1.075 119.133 120.200 0.013 0.000 2.038 551 E HA -0.217 4.144 4.350 0.020 0.000 0.195 551 E C 1.637 178.384 176.600 0.244 0.000 1.000 551 E CA 1.557 58.008 56.400 0.085 0.000 0.803 551 E CB -0.263 29.462 29.700 0.041 0.000 0.750 551 E HN 0.439 nan 8.360 nan 0.000 0.448 552 W N 0.567 121.881 121.300 0.024 0.000 2.402 552 W HA 0.102 4.774 4.660 0.020 0.000 0.286 552 W C 2.386 178.925 176.519 0.034 0.000 1.221 552 W CA 1.096 58.463 57.345 0.037 0.000 1.257 552 W CB -1.174 28.330 29.460 0.074 0.000 1.120 552 W HN 0.270 nan 8.180 nan 0.000 0.551 553 G N -0.295 108.661 108.800 0.260 0.000 2.433 553 G HA2 -0.220 3.751 3.960 0.020 0.000 0.216 553 G HA3 -0.220 3.751 3.960 0.020 0.000 0.216 553 G C 1.297 176.262 174.900 0.108 0.000 1.186 553 G CA 1.836 47.031 45.100 0.158 0.000 0.779 553 G HN 0.241 nan 8.290 nan 0.000 0.543 554 T N 0.834 115.445 114.554 0.094 0.000 3.148 554 T HA 0.325 4.687 4.350 0.020 0.000 0.253 554 T C 1.446 176.182 174.700 0.060 0.000 1.134 554 T CA 0.188 62.326 62.100 0.063 0.000 1.051 554 T CB 0.228 69.124 68.868 0.046 0.000 0.959 554 T HN 0.402 nan 8.240 nan 0.000 0.525 555 G N 1.196 110.045 108.800 0.082 0.000 2.664 555 G HA2 0.131 4.103 3.960 0.020 0.000 0.242 555 G HA3 0.131 4.103 3.960 0.020 0.000 0.242 555 G C 0.668 175.586 174.900 0.029 0.000 1.225 555 G CA -0.810 44.328 45.100 0.063 0.000 0.849 555 G HN 0.296 nan 8.290 nan 0.000 0.581 556 R N -0.204 120.304 120.500 0.014 0.000 2.397 556 R HA -0.048 4.304 4.340 0.020 0.000 0.213 556 R C 0.397 176.688 176.300 -0.015 0.000 1.102 556 R CA 0.871 56.970 56.100 -0.002 0.000 1.040 556 R CB 0.198 30.494 30.300 -0.007 0.000 0.844 556 R HN 0.439 nan 8.270 nan 0.000 0.478 557 D N -0.491 119.897 120.400 -0.020 0.000 2.449 557 D HA 0.013 4.665 4.640 0.020 0.000 0.210 557 D C -0.100 176.188 176.300 -0.020 0.000 1.094 557 D CA 0.462 54.438 54.000 -0.039 0.000 0.846 557 D CB 0.629 41.379 40.800 -0.083 0.000 1.003 557 D HN 0.009 nan 8.370 nan 0.000 0.504 558 T N 1.016 115.574 114.554 0.008 0.000 3.626 558 T HA -0.225 4.137 4.350 0.020 0.000 0.393 558 T C 0.591 175.310 174.700 0.033 0.000 0.765 558 T CA 0.164 62.281 62.100 0.028 0.000 2.006 558 T CB -2.024 66.853 68.868 0.015 0.000 1.739 558 T HN 0.248 nan 8.240 nan 0.000 0.720 559 L N 0.473 121.727 121.223 0.050 0.000 2.416 559 L HA 0.286 4.638 4.340 0.020 0.000 0.272 559 L C 1.169 178.097 176.870 0.096 0.000 1.161 559 L CA -0.259 54.612 54.840 0.052 0.000 0.845 559 L CB 0.556 42.637 42.059 0.037 0.000 1.119 559 L HN 0.388 nan 8.230 nan 0.000 0.464 560 R N 2.661 123.204 120.500 0.071 0.000 2.205 560 R HA 0.325 4.677 4.340 0.020 0.000 0.342 560 R C -1.252 175.107 176.300 0.099 0.000 1.058 560 R CA -0.438 55.708 56.100 0.076 0.000 0.904 560 R CB 0.457 30.785 30.300 0.047 0.000 1.089 560 R HN 0.613 nan 8.270 nan 0.000 0.471 561 C N 5.594 124.970 119.300 0.127 0.000 2.329 561 C HA 0.515 4.987 4.460 0.020 0.000 0.329 561 C C -0.604 174.448 174.990 0.104 0.000 1.275 561 C CA -0.832 58.281 59.018 0.158 0.000 1.726 561 C CB 0.583 28.455 27.740 0.220 0.000 2.291 561 C HN 0.709 nan 8.230 nan 0.000 0.514 562 L N 3.040 124.311 121.223 0.081 0.000 2.362 562 L HA 0.825 5.177 4.340 0.020 0.000 0.271 562 L C 0.044 176.932 176.870 0.030 0.000 1.002 562 L CA -0.056 54.810 54.840 0.044 0.000 0.818 562 L CB 1.570 43.632 42.059 0.006 0.000 1.298 562 L HN 0.810 nan 8.230 nan 0.000 0.420 563 A N 4.407 127.250 122.820 0.039 0.000 2.317 563 A HA 0.809 5.141 4.320 0.020 0.000 0.327 563 A C -1.449 176.107 177.584 -0.047 0.000 1.178 563 A CA -0.451 51.597 52.037 0.019 0.000 0.817 563 A CB 0.691 19.784 19.000 0.155 0.000 1.189 563 A HN 0.551 nan 8.150 nan 0.000 0.489 564 L N 1.644 122.756 121.223 -0.185 0.000 2.313 564 L HA 0.789 5.141 4.340 0.020 0.000 0.283 564 L C 0.357 177.065 176.870 -0.270 0.000 1.013 564 L CA 0.163 54.894 54.840 -0.183 0.000 0.816 564 L CB 1.641 43.585 42.059 -0.191 0.000 1.236 564 L HN 0.863 nan 8.230 nan 0.000 0.419 565 A N 1.674 124.431 122.820 -0.103 0.000 2.566 565 A HA 0.960 5.292 4.320 0.020 0.000 0.292 565 A C -0.803 176.800 177.584 0.033 0.000 1.112 565 A CA -0.527 51.473 52.037 -0.063 0.000 0.707 565 A CB 1.814 20.828 19.000 0.024 0.000 1.302 565 A HN 0.508 nan 8.150 nan 0.000 0.409 566 T N 0.554 115.132 114.554 0.040 0.000 2.893 566 T HA 0.591 4.953 4.350 0.020 0.000 0.291 566 T C -0.332 174.354 174.700 -0.024 0.000 1.028 566 T CA -0.495 61.612 62.100 0.012 0.000 0.995 566 T CB 1.458 70.356 68.868 0.050 0.000 1.051 566 T HN 0.695 nan 8.240 nan 0.000 0.470 567 R N 1.874 122.308 120.500 -0.110 0.000 2.215 567 R HA 0.278 4.630 4.340 0.020 0.000 0.336 567 R C -0.005 176.209 176.300 -0.142 0.000 0.996 567 R CA -0.395 55.663 56.100 -0.069 0.000 0.847 567 R CB 0.284 30.551 30.300 -0.054 0.000 1.127 567 R HN 0.529 nan 8.270 nan 0.000 0.465 568 D N 2.267 122.615 120.400 -0.087 0.000 2.224 568 D HA -0.044 4.608 4.640 0.020 0.000 0.205 568 D C -0.260 175.966 176.300 -0.124 0.000 0.965 568 D CA 1.272 55.199 54.000 -0.122 0.000 0.852 568 D CB 0.486 41.218 40.800 -0.113 0.000 0.947 568 D HN 0.482 nan 8.370 nan 0.000 0.494 569 T N 2.658 117.164 114.554 -0.081 0.000 3.068 569 T HA 0.328 4.690 4.350 0.020 0.000 0.364 569 T C -2.611 172.073 174.700 -0.026 0.000 1.161 569 T CA -1.300 60.767 62.100 -0.056 0.000 1.155 569 T CB 2.415 71.268 68.868 -0.025 0.000 1.060 569 T HN -0.119 nan 8.240 nan 0.000 0.513 570 P HA 0.483 nan 4.420 nan 0.000 0.278 570 P C -2.524 174.821 177.300 0.075 0.000 1.258 570 P CA -1.695 61.411 63.100 0.010 0.000 0.811 570 P CB -0.228 31.437 31.700 -0.058 0.000 1.063 571 P HA 0.142 nan 4.420 nan 0.000 0.271 571 P C -0.484 176.873 177.300 0.095 0.000 1.244 571 P CA -0.138 63.004 63.100 0.070 0.000 0.793 571 P CB 0.344 32.051 31.700 0.013 0.000 0.984 572 K N 1.220 121.649 120.400 0.047 0.000 2.270 572 K HA 0.169 4.501 4.320 0.020 0.000 0.276 572 K C 1.465 178.043 176.600 -0.038 0.000 1.023 572 K CA -0.208 56.106 56.287 0.045 0.000 0.955 572 K CB 0.570 33.084 32.500 0.023 0.000 0.975 572 K HN 0.299 nan 8.250 nan 0.000 0.471 573 R N 1.795 122.248 120.500 -0.077 0.000 2.154 573 R HA -0.228 4.124 4.340 0.020 0.000 0.248 573 R C 1.321 177.506 176.300 -0.191 0.000 1.155 573 R CA 1.682 57.645 56.100 -0.229 0.000 0.979 573 R CB -0.123 30.056 30.300 -0.202 0.000 0.869 573 R HN 0.595 nan 8.270 nan 0.000 0.452 574 E N 0.271 120.407 120.200 -0.106 0.000 2.268 574 E HA -0.160 4.202 4.350 0.020 0.000 0.195 574 E C 1.530 178.084 176.600 -0.077 0.000 0.995 574 E CA 0.808 57.157 56.400 -0.084 0.000 0.836 574 E CB 0.031 29.704 29.700 -0.045 0.000 0.763 574 E HN 0.390 nan 8.360 nan 0.000 0.491 575 E N -0.284 119.869 120.200 -0.079 0.000 2.478 575 E HA 0.030 4.392 4.350 0.020 0.000 0.194 575 E C -0.090 176.459 176.600 -0.085 0.000 1.045 575 E CA -0.027 56.344 56.400 -0.048 0.000 0.868 575 E CB 0.258 29.948 29.700 -0.017 0.000 0.885 575 E HN 0.182 nan 8.360 nan 0.000 0.505 576 M N 1.849 121.318 119.600 -0.219 0.000 2.080 576 M HA 0.221 4.713 4.480 0.020 0.000 0.350 576 M C -1.049 175.151 176.300 -0.167 0.000 1.173 576 M CA -0.577 54.486 55.300 -0.395 0.000 1.052 576 M CB 1.963 34.154 32.600 -0.681 0.000 1.577 576 M HN -0.215 nan 8.290 nan 0.000 0.455 577 V N 5.436 125.426 119.914 0.127 0.000 2.383 577 V HA 0.142 4.274 4.120 0.020 0.000 0.275 577 V C 0.463 176.718 176.094 0.269 0.000 1.036 577 V CA -0.365 62.017 62.300 0.136 0.000 0.889 577 V CB 1.415 33.323 31.823 0.142 0.000 0.985 577 V HN 0.745 nan 8.190 nan 0.000 0.459 578 L N 3.111 124.411 121.223 0.128 0.000 2.607 578 L HA 0.199 4.551 4.340 0.020 0.000 0.228 578 L C 1.592 178.616 176.870 0.256 0.000 1.123 578 L CA 0.726 55.714 54.840 0.247 0.000 0.890 578 L CB -0.435 41.594 42.059 -0.050 0.000 1.103 578 L HN 0.564 nan 8.230 nan 0.000 0.468 579 D N -0.324 120.151 120.400 0.125 0.000 2.084 579 D HA -0.122 4.530 4.640 0.020 0.000 0.196 579 D C 0.713 177.007 176.300 -0.010 0.000 0.985 579 D CA 1.072 55.102 54.000 0.050 0.000 0.826 579 D CB 0.020 40.830 40.800 0.018 0.000 0.978 579 D HN 0.196 nan 8.370 nan 0.000 0.456 580 D N -0.267 120.094 120.400 -0.064 0.000 2.359 580 D HA 0.086 4.738 4.640 0.020 0.000 0.230 580 D C 1.113 177.075 176.300 -0.564 0.000 1.118 580 D CA -0.192 53.681 54.000 -0.212 0.000 0.844 580 D CB 1.101 41.803 40.800 -0.163 0.000 1.059 580 D HN -0.134 nan 8.370 nan 0.000 0.493 581 S N 2.318 117.575 115.700 -0.737 0.000 2.465 581 S HA -0.204 4.278 4.470 0.020 0.000 0.241 581 S C 1.869 175.805 174.600 -1.107 0.000 1.000 581 S CA 1.512 58.817 58.200 -1.491 0.000 0.964 581 S CB -0.234 62.587 63.200 -0.631 0.000 0.763 581 S HN 0.365 nan 8.310 nan 0.000 0.512 582 S N 2.796 118.142 115.700 -0.589 0.000 2.402 582 S HA -0.115 4.366 4.470 0.020 0.000 0.229 582 S C 2.071 176.473 174.600 -0.330 0.000 1.021 582 S CA 0.914 58.900 58.200 -0.356 0.000 0.974 582 S CB -0.617 62.448 63.200 -0.225 0.000 0.800 582 S HN 0.864 nan 8.310 nan 0.000 0.484 583 R N -0.131 120.134 120.500 -0.392 0.000 2.323 583 R HA 0.112 4.464 4.340 0.020 0.000 0.198 583 R C 1.547 177.559 176.300 -0.480 0.000 0.988 583 R CA 0.559 56.421 56.100 -0.396 0.000 1.041 583 R CB -0.834 29.232 30.300 -0.391 0.000 0.926 583 R HN 0.491 nan 8.270 nan 0.000 0.476 584 F N 1.222 120.972 119.950 -0.333 0.000 2.171 584 F HA -0.191 4.349 4.527 0.021 0.000 0.300 584 F C 2.678 178.435 175.800 -0.072 0.000 1.090 584 F CA 0.772 58.687 58.000 -0.141 0.000 1.293 584 F CB -0.245 38.782 39.000 0.045 0.000 1.013 584 F HN 0.043 nan 8.300 nan 0.000 0.486 585 M N 0.701 120.359 119.600 0.096 0.000 2.108 585 M HA -0.262 4.230 4.480 0.020 0.000 0.261 585 M C 2.273 178.618 176.300 0.075 0.000 1.066 585 M CA 1.860 57.212 55.300 0.086 0.000 1.107 585 M CB -0.297 32.326 32.600 0.038 0.000 1.356 585 M HN 0.160 nan 8.290 nan 0.000 0.406 586 E N -0.403 119.796 120.200 -0.002 0.000 2.031 586 E HA -0.236 4.126 4.350 0.020 0.000 0.193 586 E C 1.684 178.395 176.600 0.185 0.000 0.994 586 E CA 1.588 58.011 56.400 0.037 0.000 0.800 586 E CB -0.303 29.373 29.700 -0.040 0.000 0.752 586 E HN 0.603 nan 8.360 nan 0.000 0.447 587 Y N 0.923 121.310 120.300 0.146 0.000 2.425 587 Y HA -0.142 4.426 4.550 0.030 0.000 0.285 587 Y C 0.762 176.736 175.900 0.123 0.000 1.170 587 Y CA 0.952 59.141 58.100 0.147 0.000 1.304 587 Y CB -0.353 38.215 38.460 0.181 0.000 0.972 587 Y HN 0.170 nan 8.280 nan 0.000 0.558 588 E N 0.286 120.640 120.200 0.257 0.000 3.012 588 E HA 0.205 4.567 4.350 0.020 0.000 0.228 588 E C 0.122 176.803 176.600 0.134 0.000 1.184 588 E CA -0.140 56.365 56.400 0.175 0.000 1.407 588 E CB 0.259 30.058 29.700 0.164 0.000 1.438 588 E HN 0.226 nan 8.360 nan 0.000 0.435 589 T N -3.064 111.569 114.554 0.132 0.000 2.888 589 T HA 0.316 4.678 4.350 0.020 0.000 0.288 589 T C 0.135 174.896 174.700 0.101 0.000 1.063 589 T CA -0.780 61.381 62.100 0.103 0.000 1.010 589 T CB 1.513 70.437 68.868 0.093 0.000 1.214 589 T HN 0.023 nan 8.240 nan 0.000 0.533 590 D N -0.241 120.207 120.400 0.079 0.000 2.699 590 D HA -0.130 4.522 4.640 0.020 0.000 0.239 590 D C -0.472 175.922 176.300 0.156 0.000 1.136 590 D CA 0.423 54.478 54.000 0.092 0.000 0.668 590 D CB -1.548 39.330 40.800 0.130 0.000 1.060 590 D HN 0.633 nan 8.370 nan 0.000 0.429 591 L N -0.517 120.780 121.223 0.124 0.000 2.439 591 L HA 0.489 4.841 4.340 0.020 0.000 0.259 591 L C 1.069 178.073 176.870 0.224 0.000 1.129 591 L CA -0.389 54.540 54.840 0.148 0.000 0.803 591 L CB 1.236 43.366 42.059 0.118 0.000 1.161 591 L HN -0.037 nan 8.230 nan 0.000 0.462 592 T N 1.158 115.833 114.554 0.202 0.000 2.791 592 T HA 0.293 4.655 4.350 0.020 0.000 0.288 592 T C -0.510 174.302 174.700 0.186 0.000 0.999 592 T CA -0.323 61.919 62.100 0.236 0.000 0.952 592 T CB 0.592 69.566 68.868 0.176 0.000 0.938 592 T HN 0.242 nan 8.240 nan 0.000 0.444 593 F N 4.198 124.202 119.950 0.090 0.000 2.529 593 F HA 0.303 4.840 4.527 0.017 0.000 0.365 593 F C 0.694 176.524 175.800 0.051 0.000 1.102 593 F CA 0.217 58.251 58.000 0.056 0.000 1.271 593 F CB 0.581 39.609 39.000 0.046 0.000 1.120 593 F HN 0.345 nan 8.300 nan 0.000 0.579 594 V N 4.017 123.364 119.914 -0.945 0.000 2.948 594 V HA 0.524 4.656 4.120 0.020 0.000 0.234 594 V C 0.923 176.481 176.094 -0.892 0.000 1.205 594 V CA 0.542 62.472 62.300 -0.616 0.000 1.234 594 V CB -0.022 31.606 31.823 -0.324 0.000 1.020 594 V HN 1.054 nan 8.190 nan 0.000 0.491 595 G N -0.767 107.251 108.800 -1.303 0.000 2.488 595 G HA2 0.537 4.509 3.960 0.020 0.000 0.301 595 G HA3 0.537 4.509 3.960 0.020 0.000 0.301 595 G C -2.296 172.244 174.900 -0.599 0.000 1.339 595 G CA -0.219 44.401 45.100 -0.801 0.000 0.803 595 G HN 0.010 nan 8.290 nan 0.000 0.482 596 V N 0.208 119.764 119.914 -0.596 0.000 2.686 596 V HA 0.673 4.805 4.120 0.020 0.000 0.306 596 V C -0.107 175.877 176.094 -0.182 0.000 1.065 596 V CA -0.660 61.381 62.300 -0.432 0.000 0.894 596 V CB 1.691 33.111 31.823 -0.672 0.000 1.004 596 V HN 1.324 nan 8.190 nan 0.000 0.424 597 V N 1.623 121.538 119.914 0.001 0.000 2.513 597 V HA 0.972 5.104 4.120 0.020 0.000 0.299 597 V C 0.384 176.611 176.094 0.222 0.000 1.035 597 V CA -0.408 61.963 62.300 0.118 0.000 0.889 597 V CB 1.551 33.389 31.823 0.026 0.000 0.988 597 V HN 0.950 nan 8.190 nan 0.000 0.440 598 G N 4.481 113.434 108.800 0.255 0.000 2.377 598 G HA2 0.589 4.560 3.960 0.020 0.000 0.316 598 G HA3 0.589 4.560 3.960 0.020 0.000 0.316 598 G C -0.688 174.215 174.900 0.006 0.000 1.115 598 G CA -0.721 44.473 45.100 0.156 0.000 0.952 598 G HN 0.764 nan 8.290 nan 0.000 0.441 599 M N 2.066 121.685 119.600 0.031 0.000 2.264 599 M HA 0.354 4.846 4.480 0.020 0.000 0.352 599 M C -0.609 175.682 176.300 -0.014 0.000 1.173 599 M CA -0.873 54.429 55.300 0.003 0.000 1.075 599 M CB 1.811 34.425 32.600 0.023 0.000 1.621 599 M HN 0.296 nan 8.290 nan 0.000 0.457 600 L N 3.472 124.674 121.223 -0.035 0.000 2.305 600 L HA 0.348 4.700 4.340 0.020 0.000 0.281 600 L C -0.866 175.988 176.870 -0.027 0.000 1.085 600 L CA 0.517 55.331 54.840 -0.043 0.000 0.813 600 L CB 0.817 42.836 42.059 -0.066 0.000 1.157 600 L HN 0.585 nan 8.230 nan 0.000 0.436 601 D N 5.509 125.896 120.400 -0.021 0.000 2.381 601 D HA 0.343 4.995 4.640 0.020 0.000 0.245 601 D C -2.708 173.581 176.300 -0.018 0.000 1.297 601 D CA -1.344 52.649 54.000 -0.012 0.000 0.931 601 D CB 1.204 42.008 40.800 0.007 0.000 1.334 601 D HN 0.174 nan 8.370 nan 0.000 0.535 602 P HA 0.211 nan 4.420 nan 0.000 0.264 602 P C -2.540 174.741 177.300 -0.032 0.000 1.193 602 P CA -0.924 62.157 63.100 -0.032 0.000 0.763 602 P CB 0.225 31.903 31.700 -0.036 0.000 0.810 603 P HA 0.131 nan 4.420 nan 0.000 0.271 603 P C -0.063 177.204 177.300 -0.055 0.000 1.218 603 P CA -0.021 63.045 63.100 -0.057 0.000 0.780 603 P CB 0.616 32.273 31.700 -0.071 0.000 0.901 604 R N 1.904 122.366 120.500 -0.063 0.000 2.643 604 R HA 0.082 4.434 4.340 0.020 0.000 0.270 604 R C 1.577 177.845 176.300 -0.053 0.000 1.061 604 R CA -0.097 55.976 56.100 -0.045 0.000 1.107 604 R CB 0.301 30.584 30.300 -0.028 0.000 0.999 604 R HN 0.478 nan 8.270 nan 0.000 0.460 605 K N 1.967 122.350 120.400 -0.029 0.000 2.020 605 K HA -0.199 4.133 4.320 0.020 0.000 0.212 605 K C 1.616 178.199 176.600 -0.028 0.000 1.050 605 K CA 1.880 58.151 56.287 -0.025 0.000 0.929 605 K CB 0.065 32.559 32.500 -0.010 0.000 0.714 605 K HN 0.642 nan 8.250 nan 0.000 0.443 606 E N 1.007 121.203 120.200 -0.008 0.000 2.511 606 E HA -0.063 4.299 4.350 0.020 0.000 0.196 606 E C 1.756 178.351 176.600 -0.009 0.000 1.066 606 E CA 0.452 56.862 56.400 0.016 0.000 0.871 606 E CB -0.123 29.614 29.700 0.063 0.000 0.863 606 E HN 0.049 nan 8.360 nan 0.000 0.520 607 V N 1.856 121.701 119.914 -0.115 0.000 2.283 607 V HA -0.241 3.890 4.120 0.020 0.000 0.243 607 V C 2.687 178.646 176.094 -0.225 0.000 1.039 607 V CA 2.042 64.150 62.300 -0.321 0.000 1.016 607 V CB -0.588 30.933 31.823 -0.505 0.000 0.650 607 V HN 0.280 nan 8.190 nan 0.000 0.449 608 M N 0.524 120.034 119.600 -0.150 0.000 2.108 608 M HA -0.178 4.314 4.480 0.020 0.000 0.257 608 M C 1.966 178.233 176.300 -0.055 0.000 1.071 608 M CA 2.556 57.796 55.300 -0.101 0.000 1.093 608 M CB -0.677 31.881 32.600 -0.071 0.000 1.345 608 M HN 0.387 nan 8.290 nan 0.000 0.403 609 G N -0.881 107.900 108.800 -0.032 0.000 2.421 609 G HA2 -0.186 3.786 3.960 0.020 0.000 0.216 609 G HA3 -0.186 3.786 3.960 0.020 0.000 0.216 609 G C 1.402 176.318 174.900 0.027 0.000 1.171 609 G CA 1.027 46.127 45.100 -0.000 0.000 0.775 609 G HN 0.554 nan 8.290 nan 0.000 0.543 610 S N 0.641 116.379 115.700 0.063 0.000 2.368 610 S HA -0.074 4.408 4.470 0.020 0.000 0.225 610 S C 2.315 176.988 174.600 0.122 0.000 1.030 610 S CA 0.874 59.164 58.200 0.150 0.000 0.999 610 S CB -0.171 63.268 63.200 0.398 0.000 0.844 610 S HN 0.290 nan 8.310 nan 0.000 0.459 611 I N 1.737 122.343 120.570 0.060 0.000 2.151 611 I HA -0.192 3.990 4.170 0.020 0.000 0.243 611 I C 2.690 178.820 176.117 0.021 0.000 1.080 611 I CA 1.392 62.709 61.300 0.028 0.000 1.339 611 I CB -1.377 36.593 38.000 -0.050 0.000 1.039 611 I HN 0.310 nan 8.210 nan 0.000 0.409 612 Q N 0.634 120.440 119.800 0.009 0.000 2.014 612 Q HA -0.205 4.147 4.340 0.020 0.000 0.207 612 Q C 2.350 178.359 176.000 0.015 0.000 0.993 612 Q CA 1.634 57.442 55.803 0.008 0.000 0.850 612 Q CB -0.696 28.044 28.738 0.004 0.000 0.916 612 Q HN 0.352 nan 8.270 nan 0.000 0.417 613 L N 0.041 121.278 121.223 0.022 0.000 2.051 613 L HA -0.256 4.096 4.340 0.020 0.000 0.214 613 L C 2.703 179.584 176.870 0.020 0.000 1.076 613 L CA 1.576 56.428 54.840 0.020 0.000 0.758 613 L CB -1.391 40.684 42.059 0.027 0.000 0.890 613 L HN 0.280 nan 8.230 nan 0.000 0.433 614 C N -1.387 117.933 119.300 0.033 0.000 2.413 614 C HA -0.191 4.281 4.460 0.020 0.000 0.276 614 C C 2.935 177.935 174.990 0.015 0.000 1.248 614 C CA 0.754 59.788 59.018 0.028 0.000 1.742 614 C CB -0.942 26.828 27.740 0.050 0.000 2.017 614 C HN 0.491 nan 8.230 nan 0.000 0.481 615 R N 0.726 121.234 120.500 0.015 0.000 2.105 615 R HA -0.137 4.215 4.340 0.020 0.000 0.239 615 R C 1.570 177.872 176.300 0.003 0.000 1.135 615 R CA 1.771 57.876 56.100 0.009 0.000 0.967 615 R CB -0.231 30.074 30.300 0.008 0.000 0.861 615 R HN 0.571 nan 8.270 nan 0.000 0.442 616 D N -0.118 120.283 120.400 0.002 0.000 2.137 616 D HA -0.057 4.595 4.640 0.020 0.000 0.202 616 D C 1.364 177.660 176.300 -0.007 0.000 0.970 616 D CA 1.183 55.181 54.000 -0.003 0.000 0.837 616 D CB -0.180 40.619 40.800 -0.003 0.000 0.981 616 D HN 0.262 nan 8.370 nan 0.000 0.475 617 A N 0.324 123.140 122.820 -0.005 0.000 2.255 617 A HA 0.329 4.661 4.320 0.020 0.000 0.206 617 A C 1.652 179.228 177.584 -0.013 0.000 1.193 617 A CA 1.000 53.030 52.037 -0.011 0.000 0.794 617 A CB -0.782 18.212 19.000 -0.010 0.000 0.794 617 A HN 0.262 nan 8.150 nan 0.000 0.481 618 G N -0.910 107.885 108.800 -0.010 0.000 2.221 618 G HA2 -0.242 3.730 3.960 0.020 0.000 0.265 618 G HA3 -0.242 3.730 3.960 0.020 0.000 0.265 618 G C -0.055 174.841 174.900 -0.008 0.000 1.041 618 G CA 0.503 45.596 45.100 -0.010 0.000 0.807 618 G HN 0.544 nan 8.290 nan 0.000 0.502 619 I N -0.155 120.415 120.570 -0.001 0.000 2.362 619 I HA 0.395 4.577 4.170 0.020 0.000 0.289 619 I C 0.813 176.938 176.117 0.013 0.000 0.994 619 I CA -0.935 60.367 61.300 0.003 0.000 1.158 619 I CB 1.489 39.491 38.000 0.003 0.000 1.315 619 I HN 0.064 nan 8.210 nan 0.000 0.451 620 R N 4.538 125.046 120.500 0.015 0.000 2.389 620 R HA 0.504 4.856 4.340 0.020 0.000 0.295 620 R C -1.112 175.208 176.300 0.034 0.000 1.075 620 R CA -0.242 55.872 56.100 0.023 0.000 1.005 620 R CB 1.030 31.344 30.300 0.024 0.000 0.987 620 R HN 0.399 nan 8.270 nan 0.000 0.452 621 V N 6.820 126.753 119.914 0.032 0.000 2.378 621 V HA 0.381 4.513 4.120 0.020 0.000 0.288 621 V C -0.200 175.909 176.094 0.024 0.000 1.016 621 V CA -0.539 61.786 62.300 0.040 0.000 0.840 621 V CB 1.530 33.379 31.823 0.043 0.000 0.994 621 V HN 0.653 nan 8.190 nan 0.000 0.431 622 I N 5.299 125.903 120.570 0.056 0.000 2.474 622 I HA 0.487 4.669 4.170 0.020 0.000 0.294 622 I C -0.068 176.099 176.117 0.084 0.000 1.005 622 I CA -0.445 60.908 61.300 0.089 0.000 1.113 622 I CB 1.906 39.999 38.000 0.155 0.000 1.289 622 I HN 0.531 nan 8.210 nan 0.000 0.436 623 M N 7.527 127.173 119.600 0.077 0.000 2.144 623 M HA 0.520 5.012 4.480 0.020 0.000 0.356 623 M C -1.365 175.030 176.300 0.157 0.000 1.217 623 M CA -0.183 55.159 55.300 0.070 0.000 1.087 623 M CB 0.628 33.225 32.600 -0.006 0.000 1.609 623 M HN 0.492 nan 8.290 nan 0.000 0.467 624 I N 4.606 125.245 120.570 0.114 0.000 2.537 624 I HA 0.268 4.450 4.170 0.020 0.000 0.276 624 I C -0.369 175.802 176.117 0.091 0.000 1.063 624 I CA -0.352 61.018 61.300 0.117 0.000 1.144 624 I CB 1.571 39.590 38.000 0.032 0.000 1.252 624 I HN 0.593 nan 8.210 nan 0.000 0.480 625 T N 2.541 117.158 114.554 0.104 0.000 2.912 625 T HA 0.486 4.847 4.350 0.020 0.000 0.288 625 T C 1.152 175.912 174.700 0.100 0.000 1.030 625 T CA -0.190 61.964 62.100 0.089 0.000 1.020 625 T CB 1.862 70.774 68.868 0.074 0.000 1.056 625 T HN 0.653 nan 8.240 nan 0.000 0.480 626 G N 1.801 110.664 108.800 0.104 0.000 2.511 626 G HA2 0.030 4.002 3.960 0.020 0.000 0.217 626 G HA3 0.030 4.002 3.960 0.020 0.000 0.217 626 G C 0.585 175.555 174.900 0.116 0.000 1.133 626 G CA 0.096 45.269 45.100 0.122 0.000 0.792 626 G HN 0.700 nan 8.290 nan 0.000 0.539 627 D N 0.327 120.787 120.400 0.099 0.000 2.354 627 D HA -0.051 4.601 4.640 0.020 0.000 0.238 627 D C 0.646 176.996 176.300 0.084 0.000 1.250 627 D CA -0.465 53.588 54.000 0.088 0.000 0.911 627 D CB 0.197 41.040 40.800 0.072 0.000 1.163 627 D HN 0.088 nan 8.370 nan 0.000 0.456 628 N N 1.432 120.179 118.700 0.079 0.000 2.412 628 N HA -0.133 4.619 4.740 0.020 0.000 0.254 628 N C 0.866 176.414 175.510 0.063 0.000 1.232 628 N CA 0.214 53.308 53.050 0.073 0.000 0.880 628 N CB 0.549 39.080 38.487 0.074 0.000 1.076 628 N HN 0.414 nan 8.380 nan 0.000 0.458 629 K N 3.131 123.564 120.400 0.055 0.000 2.147 629 K HA -0.108 4.224 4.320 0.020 0.000 0.205 629 K C 1.668 178.290 176.600 0.038 0.000 1.049 629 K CA 1.541 57.854 56.287 0.043 0.000 0.936 629 K CB -0.340 32.177 32.500 0.027 0.000 0.722 629 K HN 0.709 nan 8.250 nan 0.000 0.446 630 G N 0.155 108.978 108.800 0.038 0.000 2.414 630 G HA2 -0.217 3.755 3.960 0.020 0.000 0.215 630 G HA3 -0.217 3.755 3.960 0.020 0.000 0.215 630 G C 1.396 176.325 174.900 0.048 0.000 1.188 630 G CA 1.292 46.414 45.100 0.036 0.000 0.783 630 G HN 0.339 nan 8.290 nan 0.000 0.537 631 T N 1.889 116.477 114.554 0.057 0.000 2.665 631 T HA -0.082 4.280 4.350 0.020 0.000 0.268 631 T C 2.785 177.513 174.700 0.048 0.000 1.035 631 T CA 1.757 63.891 62.100 0.058 0.000 1.151 631 T CB -0.460 68.446 68.868 0.064 0.000 0.862 631 T HN 0.389 nan 8.240 nan 0.000 0.438 632 A N 1.110 123.959 122.820 0.049 0.000 1.865 632 A HA -0.053 4.279 4.320 0.020 0.000 0.217 632 A C 2.326 179.941 177.584 0.050 0.000 1.191 632 A CA 1.430 53.492 52.037 0.043 0.000 0.623 632 A CB -0.866 18.165 19.000 0.050 0.000 0.826 632 A HN 0.508 nan 8.150 nan 0.000 0.444 633 I N -0.264 120.352 120.570 0.076 0.000 2.179 633 I HA -0.300 3.882 4.170 0.020 0.000 0.242 633 I C 3.012 179.196 176.117 0.113 0.000 1.088 633 I CA 0.999 62.381 61.300 0.136 0.000 1.357 633 I CB -0.432 37.635 38.000 0.112 0.000 1.051 633 I HN 0.382 nan 8.210 nan 0.000 0.409 634 A N 1.274 124.135 122.820 0.069 0.000 1.881 634 A HA -0.280 4.052 4.320 0.020 0.000 0.219 634 A C 2.312 179.919 177.584 0.038 0.000 1.215 634 A CA 2.201 54.269 52.037 0.052 0.000 0.648 634 A CB -1.122 17.904 19.000 0.042 0.000 0.832 634 A HN 0.424 nan 8.150 nan 0.000 0.455 635 I N -0.830 119.753 120.570 0.021 0.000 2.179 635 I HA -0.339 3.843 4.170 0.020 0.000 0.242 635 I C 2.657 178.750 176.117 -0.040 0.000 1.088 635 I CA 1.324 62.617 61.300 -0.011 0.000 1.357 635 I CB -0.689 37.300 38.000 -0.017 0.000 1.051 635 I HN 0.464 nan 8.210 nan 0.000 0.409 636 C N 0.861 120.125 119.300 -0.060 0.000 2.336 636 C HA -0.276 4.196 4.460 0.020 0.000 0.272 636 C C 2.930 177.864 174.990 -0.093 0.000 1.160 636 C CA 1.294 60.213 59.018 -0.165 0.000 1.783 636 C CB -1.443 26.090 27.740 -0.345 0.000 2.050 636 C HN 0.445 nan 8.230 nan 0.000 0.443 637 R N 0.182 120.703 120.500 0.036 0.000 2.115 637 R HA -0.182 4.170 4.340 0.020 0.000 0.239 637 R C 2.354 178.658 176.300 0.006 0.000 1.133 637 R CA 1.810 57.949 56.100 0.064 0.000 0.935 637 R CB -0.492 29.859 30.300 0.086 0.000 0.853 637 R HN 0.613 nan 8.270 nan 0.000 0.433 638 R N 0.228 120.723 120.500 -0.008 0.000 2.200 638 R HA -0.076 4.276 4.340 0.020 0.000 0.234 638 R C 2.056 178.326 176.300 -0.049 0.000 1.127 638 R CA 1.007 57.092 56.100 -0.024 0.000 0.989 638 R CB -0.171 30.114 30.300 -0.025 0.000 0.869 638 R HN 0.341 nan 8.270 nan 0.000 0.459 639 I N -1.021 119.505 120.570 -0.073 0.000 3.603 639 I HA 0.055 4.237 4.170 0.020 0.000 0.297 639 I C 1.239 177.295 176.117 -0.102 0.000 1.269 639 I CA 0.589 61.823 61.300 -0.110 0.000 1.361 639 I CB 0.450 38.358 38.000 -0.154 0.000 1.063 639 I HN 0.438 nan 8.210 nan 0.000 0.448 640 G N 1.111 109.868 108.800 -0.073 0.000 2.194 640 G HA2 -0.272 3.700 3.960 0.020 0.000 0.236 640 G HA3 -0.272 3.700 3.960 0.020 0.000 0.236 640 G C 0.947 175.805 174.900 -0.070 0.000 0.987 640 G CA 0.218 45.288 45.100 -0.050 0.000 0.635 640 G HN 0.307 nan 8.290 nan 0.000 0.520 641 I N -0.340 120.132 120.570 -0.164 0.000 2.264 641 I HA 0.046 4.228 4.170 0.020 0.000 0.248 641 I C 1.137 177.073 176.117 -0.300 0.000 1.111 641 I CA 1.372 62.482 61.300 -0.317 0.000 1.382 641 I CB -0.176 37.495 38.000 -0.550 0.000 1.060 641 I HN 0.225 nan 8.210 nan 0.000 0.418 642 F N -0.524 119.412 119.950 -0.023 0.000 2.563 642 F HA 0.501 5.038 4.527 0.018 0.000 0.316 642 F C 0.839 176.625 175.800 -0.023 0.000 1.076 642 F CA -1.231 56.755 58.000 -0.024 0.000 0.921 642 F CB 1.509 40.491 39.000 -0.030 0.000 1.209 642 F HN -0.216 nan 8.300 nan 0.000 0.462 643 G N 1.113 110.026 108.800 0.188 0.000 2.441 643 G HA2 0.086 4.058 3.960 0.020 0.000 0.243 643 G HA3 0.086 4.058 3.960 0.020 0.000 0.243 643 G C 0.501 175.442 174.900 0.068 0.000 1.281 643 G CA -0.292 44.860 45.100 0.087 0.000 0.854 643 G HN 0.900 nan 8.290 nan 0.000 0.560 644 E N 0.816 121.041 120.200 0.042 0.000 2.233 644 E HA -0.140 4.222 4.350 0.020 0.000 0.199 644 E C 0.209 176.817 176.600 0.014 0.000 1.004 644 E CA 0.969 57.386 56.400 0.028 0.000 0.819 644 E CB 0.048 29.757 29.700 0.015 0.000 0.738 644 E HN 0.428 nan 8.360 nan 0.000 0.478 645 N N 0.606 119.308 118.700 0.004 0.000 2.461 645 N HA 0.243 4.995 4.740 0.020 0.000 0.284 645 N C -1.257 174.234 175.510 -0.033 0.000 1.049 645 N CA -0.121 52.919 53.050 -0.017 0.000 0.889 645 N CB 2.167 40.645 38.487 -0.016 0.000 1.365 645 N HN 0.015 nan 8.380 nan 0.000 0.499 646 E N 1.202 121.363 120.200 -0.066 0.000 2.649 646 E HA 0.007 4.369 4.350 0.020 0.000 0.308 646 E C -1.657 174.841 176.600 -0.170 0.000 1.017 646 E CA -0.412 55.924 56.400 -0.106 0.000 0.848 646 E CB 1.483 31.121 29.700 -0.104 0.000 1.240 646 E HN 0.195 nan 8.360 nan 0.000 0.421 647 E N 2.976 123.080 120.200 -0.159 0.000 2.257 647 E HA 0.127 4.488 4.350 0.020 0.000 0.278 647 E C 0.507 176.947 176.600 -0.266 0.000 1.049 647 E CA 0.212 56.506 56.400 -0.178 0.000 0.876 647 E CB 1.490 31.114 29.700 -0.127 0.000 1.035 647 E HN 0.434 nan 8.360 nan 0.000 0.419 648 V N 1.429 121.149 119.914 -0.325 0.000 3.477 648 V HA 0.303 4.435 4.120 0.020 0.000 0.297 648 V C 1.569 177.458 176.094 -0.342 0.000 1.433 648 V CA 0.508 62.536 62.300 -0.454 0.000 1.052 648 V CB 0.260 31.647 31.823 -0.728 0.000 0.895 648 V HN 0.506 nan 8.190 nan 0.000 0.438 649 A N 0.796 123.455 122.820 -0.268 0.000 2.084 649 A HA -0.266 4.066 4.320 0.020 0.000 0.221 649 A C 1.840 179.228 177.584 -0.327 0.000 1.161 649 A CA 2.375 54.247 52.037 -0.275 0.000 0.653 649 A CB -0.573 18.313 19.000 -0.190 0.000 0.802 649 A HN 0.604 nan 8.150 nan 0.000 0.457 650 D N -1.413 118.850 120.400 -0.229 0.000 2.354 650 D HA 0.065 4.717 4.640 0.020 0.000 0.209 650 D C 1.323 177.610 176.300 -0.022 0.000 1.015 650 D CA 0.501 54.432 54.000 -0.114 0.000 0.867 650 D CB 0.068 40.839 40.800 -0.047 0.000 0.933 650 D HN 0.437 nan 8.370 nan 0.000 0.520 651 R N -0.564 119.859 120.500 -0.129 0.000 2.642 651 R HA 0.548 4.900 4.340 0.020 0.000 0.435 651 R C -0.745 175.531 176.300 -0.039 0.000 1.046 651 R CA -0.162 55.950 56.100 0.021 0.000 1.103 651 R CB 1.746 32.058 30.300 0.020 0.000 1.425 651 R HN -0.052 nan 8.270 nan 0.000 0.586 652 A N 0.696 123.354 122.820 -0.270 0.000 2.442 652 A HA 0.621 4.953 4.320 0.020 0.000 0.284 652 A C -1.578 175.754 177.584 -0.421 0.000 1.058 652 A CA -0.486 51.405 52.037 -0.243 0.000 0.738 652 A CB 0.718 19.643 19.000 -0.125 0.000 1.242 652 A HN 0.225 nan 8.150 nan 0.000 0.421 653 Y N 0.566 120.677 120.300 -0.315 0.000 2.499 653 Y HA 0.631 5.191 4.550 0.015 0.000 0.347 653 Y C 1.027 176.904 175.900 -0.039 0.000 0.987 653 Y CA -0.462 57.569 58.100 -0.115 0.000 1.044 653 Y CB 2.444 40.916 38.460 0.020 0.000 1.245 653 Y HN 0.731 nan 8.280 nan 0.000 0.461 654 T N -2.065 112.596 114.554 0.178 0.000 2.913 654 T HA 0.322 4.684 4.350 0.020 0.000 0.287 654 T C 1.343 176.136 174.700 0.156 0.000 1.008 654 T CA -0.154 62.024 62.100 0.131 0.000 1.067 654 T CB 1.440 70.363 68.868 0.091 0.000 0.996 654 T HN 0.879 nan 8.240 nan 0.000 0.513 655 G N 1.132 109.937 108.800 0.009 0.000 2.505 655 G HA2 -0.270 3.702 3.960 0.020 0.000 0.220 655 G HA3 -0.270 3.702 3.960 0.020 0.000 0.220 655 G C 1.682 176.594 174.900 0.021 0.000 1.145 655 G CA 0.431 45.383 45.100 -0.245 0.000 0.761 655 G HN 0.682 nan 8.290 nan 0.000 0.571 656 R N 0.601 121.154 120.500 0.088 0.000 2.061 656 R HA -0.037 4.315 4.340 0.020 0.000 0.230 656 R C 2.621 179.014 176.300 0.155 0.000 1.140 656 R CA 1.668 57.842 56.100 0.124 0.000 0.940 656 R CB -0.803 29.557 30.300 0.099 0.000 0.839 656 R HN 0.543 nan 8.270 nan 0.000 0.429 657 E N -0.532 119.773 120.200 0.175 0.000 2.136 657 E HA -0.253 4.109 4.350 0.020 0.000 0.202 657 E C 1.796 178.576 176.600 0.300 0.000 1.019 657 E CA 1.793 58.330 56.400 0.229 0.000 0.819 657 E CB -0.353 29.505 29.700 0.264 0.000 0.739 657 E HN 0.258 nan 8.360 nan 0.000 0.458 658 F N 1.916 121.960 119.950 0.156 0.000 2.113 658 F HA -0.152 4.383 4.527 0.014 0.000 0.297 658 F C 1.720 177.565 175.800 0.074 0.000 1.103 658 F CA 1.480 59.534 58.000 0.091 0.000 1.248 658 F CB 0.038 39.108 39.000 0.116 0.000 0.999 658 F HN -0.145 nan 8.300 nan 0.000 0.475 659 D N 0.155 120.639 120.400 0.140 0.000 2.269 659 D HA -0.127 4.525 4.640 0.020 0.000 0.208 659 D C 1.685 177.981 176.300 -0.006 0.000 0.963 659 D CA 0.969 55.002 54.000 0.056 0.000 0.864 659 D CB -0.403 40.516 40.800 0.197 0.000 0.936 659 D HN 0.335 nan 8.370 nan 0.000 0.505 660 D N 0.069 120.482 120.400 0.022 0.000 2.178 660 D HA -0.027 4.625 4.640 0.020 0.000 0.202 660 D C 0.850 177.132 176.300 -0.029 0.000 0.974 660 D CA 0.250 54.259 54.000 0.015 0.000 0.841 660 D CB 0.086 40.916 40.800 0.049 0.000 0.953 660 D HN 0.242 nan 8.370 nan 0.000 0.478 661 L N 1.551 122.721 121.223 -0.088 0.000 2.467 661 L HA 0.156 4.508 4.340 0.020 0.000 0.270 661 L C -1.956 174.833 176.870 -0.135 0.000 1.205 661 L CA -1.610 53.154 54.840 -0.127 0.000 0.828 661 L CB -0.269 41.655 42.059 -0.225 0.000 1.101 661 L HN -0.174 nan 8.230 nan 0.000 0.479 662 P HA 0.028 nan 4.420 nan 0.000 0.271 662 P C 0.609 177.839 177.300 -0.118 0.000 1.218 662 P CA -0.529 62.521 63.100 -0.083 0.000 0.780 662 P CB 0.583 32.249 31.700 -0.056 0.000 0.901 663 L N 2.940 124.115 121.223 -0.080 0.000 2.011 663 L HA -0.327 4.025 4.340 0.020 0.000 0.225 663 L C 2.453 179.262 176.870 -0.102 0.000 1.084 663 L CA 2.729 57.536 54.840 -0.055 0.000 0.791 663 L CB -2.116 39.947 42.059 0.007 0.000 0.898 663 L HN 0.518 nan 8.230 nan 0.000 0.440 664 A N -1.129 121.645 122.820 -0.077 0.000 1.869 664 A HA -0.309 4.022 4.320 0.020 0.000 0.218 664 A C 2.257 179.764 177.584 -0.128 0.000 1.203 664 A CA 2.167 54.154 52.037 -0.083 0.000 0.638 664 A CB -0.794 18.177 19.000 -0.049 0.000 0.831 664 A HN 0.456 nan 8.150 nan 0.000 0.450 665 E N -0.497 119.626 120.200 -0.127 0.000 2.209 665 E HA -0.183 4.179 4.350 0.020 0.000 0.196 665 E C 2.226 178.684 176.600 -0.237 0.000 0.993 665 E CA 1.379 57.696 56.400 -0.138 0.000 0.819 665 E CB -0.192 29.444 29.700 -0.108 0.000 0.745 665 E HN 0.766 nan 8.360 nan 0.000 0.477 666 Q N -0.446 119.136 119.800 -0.362 0.000 2.016 666 Q HA -0.162 4.190 4.340 0.020 0.000 0.200 666 Q C 2.278 177.895 176.000 -0.639 0.000 0.978 666 Q CA 1.415 56.872 55.803 -0.576 0.000 0.833 666 Q CB -0.141 28.193 28.738 -0.673 0.000 0.895 666 Q HN 0.126 nan 8.270 nan 0.000 0.427 667 R N 0.988 120.973 120.500 -0.857 0.000 2.115 667 R HA -0.241 4.111 4.340 0.020 0.000 0.239 667 R C 1.926 178.129 176.300 -0.162 0.000 1.133 667 R CA 2.152 57.808 56.100 -0.741 0.000 0.935 667 R CB -0.061 30.038 30.300 -0.334 0.000 0.853 667 R HN 0.303 nan 8.270 nan 0.000 0.433 668 E N -0.393 119.765 120.200 -0.070 0.000 2.077 668 E HA -0.190 4.172 4.350 0.020 0.000 0.193 668 E C 2.043 178.650 176.600 0.011 0.000 0.989 668 E CA 0.985 57.400 56.400 0.024 0.000 0.800 668 E CB -0.187 29.520 29.700 0.013 0.000 0.746 668 E HN 0.515 nan 8.360 nan 0.000 0.452 669 A N 1.282 124.084 122.820 -0.031 0.000 1.903 669 A HA -0.276 4.055 4.320 0.020 0.000 0.219 669 A C 2.505 180.204 177.584 0.192 0.000 1.191 669 A CA 1.689 53.724 52.037 -0.003 0.000 0.638 669 A CB -1.184 17.714 19.000 -0.171 0.000 0.823 669 A HN 0.406 nan 8.150 nan 0.000 0.451 670 C N -1.153 118.296 119.300 0.248 0.000 2.398 670 C HA -0.157 4.314 4.460 0.020 0.000 0.276 670 C C 2.824 177.926 174.990 0.187 0.000 1.222 670 C CA 1.237 60.431 59.018 0.294 0.000 1.746 670 C CB -1.454 26.410 27.740 0.206 0.000 2.039 670 C HN 0.595 nan 8.230 nan 0.000 0.470 671 R N 0.619 121.152 120.500 0.056 0.000 2.105 671 R HA -0.164 4.188 4.340 0.020 0.000 0.239 671 R C 2.405 178.708 176.300 0.005 0.000 1.135 671 R CA 1.875 57.930 56.100 -0.074 0.000 0.967 671 R CB -0.294 29.851 30.300 -0.257 0.000 0.861 671 R HN 0.724 nan 8.270 nan 0.000 0.442 672 R N -0.191 120.348 120.500 0.064 0.000 2.146 672 R HA 0.254 4.605 4.340 0.020 0.000 0.206 672 R C 0.704 177.092 176.300 0.145 0.000 1.049 672 R CA 0.515 56.666 56.100 0.086 0.000 1.029 672 R CB 0.028 30.375 30.300 0.078 0.000 0.949 672 R HN -0.054 nan 8.270 nan 0.000 0.471 673 A N 0.663 123.601 122.820 0.198 0.000 2.425 673 A HA 0.319 4.651 4.320 0.020 0.000 0.249 673 A C 0.227 177.938 177.584 0.211 0.000 1.084 673 A CA -0.478 51.662 52.037 0.171 0.000 0.781 673 A CB 0.632 19.640 19.000 0.013 0.000 1.019 673 A HN 0.548 nan 8.150 nan 0.000 0.490 674 C N 0.531 119.943 119.300 0.187 0.000 3.386 674 C HA 0.420 4.892 4.460 0.020 0.000 0.279 674 C C 0.226 175.229 174.990 0.022 0.000 1.508 674 C CA -0.324 58.769 59.018 0.124 0.000 1.801 674 C CB -1.336 26.411 27.740 0.011 0.000 2.798 674 C HN 0.842 nan 8.230 nan 0.000 0.605 675 C N 1.517 120.804 119.300 -0.021 0.000 2.727 675 C HA 0.672 5.144 4.460 0.020 0.000 0.369 675 C C -1.597 173.240 174.990 -0.255 0.000 1.067 675 C CA -0.470 58.531 59.018 -0.029 0.000 1.273 675 C CB -0.712 27.084 27.740 0.093 0.000 1.778 675 C HN 0.419 nan 8.230 nan 0.000 0.467 676 F N 4.601 124.578 119.950 0.045 0.000 2.493 676 F HA 0.744 5.281 4.527 0.015 0.000 0.329 676 F C 0.510 176.312 175.800 0.004 0.000 1.126 676 F CA -0.110 57.894 58.000 0.008 0.000 0.937 676 F CB 1.843 40.783 39.000 -0.100 0.000 1.146 676 F HN 0.809 nan 8.300 nan 0.000 0.442 677 A N 2.503 125.409 122.820 0.142 0.000 2.413 677 A HA 0.816 5.148 4.320 0.020 0.000 0.307 677 A C 0.190 177.827 177.584 0.088 0.000 1.087 677 A CA -1.159 50.938 52.037 0.101 0.000 0.750 677 A CB 1.077 20.120 19.000 0.071 0.000 1.296 677 A HN 0.808 nan 8.150 nan 0.000 0.423 678 R N -1.283 119.272 120.500 0.092 0.000 3.264 678 R HA -0.155 4.197 4.340 0.020 0.000 0.251 678 R C -0.392 175.962 176.300 0.090 0.000 0.971 678 R CA 0.968 57.126 56.100 0.097 0.000 0.658 678 R CB -2.220 28.132 30.300 0.087 0.000 1.095 678 R HN 1.680 nan 8.270 nan 0.000 0.443 679 V N -1.850 118.126 119.914 0.103 0.000 2.513 679 V HA 0.615 4.747 4.120 0.020 0.000 0.299 679 V C 0.587 176.854 176.094 0.288 0.000 1.035 679 V CA -0.906 61.470 62.300 0.127 0.000 0.889 679 V CB 2.089 33.944 31.823 0.055 0.000 0.988 679 V HN 0.279 nan 8.190 nan 0.000 0.440 680 E N 4.601 125.138 120.200 0.560 0.000 2.342 680 E HA 0.315 4.677 4.350 0.020 0.000 0.257 680 E C -1.792 174.863 176.600 0.092 0.000 1.150 680 E CA -1.519 55.005 56.400 0.208 0.000 0.926 680 E CB 0.959 30.692 29.700 0.054 0.000 1.074 680 E HN 0.545 nan 8.360 nan 0.000 0.449 681 P HA -0.284 nan 4.420 nan 0.000 0.216 681 P C 1.426 178.694 177.300 -0.054 0.000 1.157 681 P CA 1.912 65.005 63.100 -0.011 0.000 0.880 681 P CB -0.028 31.658 31.700 -0.023 0.000 0.791 682 S N -1.009 114.617 115.700 -0.123 0.000 2.372 682 S HA -0.312 4.170 4.470 0.020 0.000 0.227 682 S C 1.810 176.322 174.600 -0.146 0.000 1.044 682 S CA 1.847 59.947 58.200 -0.168 0.000 1.050 682 S CB -1.958 61.093 63.200 -0.249 0.000 0.901 682 S HN 0.301 nan 8.310 nan 0.000 0.447 683 H N 1.247 120.301 119.070 -0.026 0.000 2.387 683 H HA 0.089 4.651 4.556 0.010 0.000 0.299 683 H C 2.378 177.610 175.328 -0.160 0.000 1.090 683 H CA 1.628 57.636 56.048 -0.066 0.000 1.332 683 H CB -0.047 29.679 29.762 -0.060 0.000 1.386 683 H HN 0.434 nan 8.280 nan 0.000 0.516 684 K N -0.088 120.312 120.400 -0.001 0.000 2.057 684 K HA -0.110 4.222 4.320 0.020 0.000 0.206 684 K C 2.529 179.076 176.600 -0.087 0.000 1.050 684 K CA 1.079 57.328 56.287 -0.063 0.000 0.935 684 K CB -0.057 32.430 32.500 -0.021 0.000 0.715 684 K HN 0.076 nan 8.250 nan 0.000 0.439 685 S N 1.179 116.836 115.700 -0.073 0.000 2.348 685 S HA -0.160 4.322 4.470 0.020 0.000 0.221 685 S C 1.949 176.478 174.600 -0.117 0.000 1.033 685 S CA 1.346 59.496 58.200 -0.084 0.000 1.010 685 S CB -0.060 63.092 63.200 -0.079 0.000 0.891 685 S HN 0.180 nan 8.310 nan 0.000 0.442 686 K N 0.168 120.491 120.400 -0.128 0.000 2.160 686 K HA -0.083 4.249 4.320 0.020 0.000 0.206 686 K C 1.976 178.439 176.600 -0.228 0.000 1.047 686 K CA 1.496 57.658 56.287 -0.209 0.000 0.930 686 K CB -0.262 32.182 32.500 -0.093 0.000 0.720 686 K HN 0.461 nan 8.250 nan 0.000 0.450 687 I N -0.055 120.423 120.570 -0.154 0.000 2.406 687 I HA -0.225 3.957 4.170 0.020 0.000 0.249 687 I C 2.082 178.171 176.117 -0.046 0.000 1.122 687 I CA 0.480 61.694 61.300 -0.144 0.000 1.431 687 I CB 0.075 37.774 38.000 -0.502 0.000 1.087 687 I HN -0.057 nan 8.210 nan 0.000 0.424 688 V N 0.598 120.464 119.914 -0.080 0.000 2.270 688 V HA -0.311 3.821 4.120 0.020 0.000 0.245 688 V C 2.430 178.520 176.094 -0.008 0.000 1.043 688 V CA 2.089 64.370 62.300 -0.032 0.000 1.014 688 V CB -0.570 31.225 31.823 -0.046 0.000 0.645 688 V HN 0.451 nan 8.190 nan 0.000 0.447 689 E N -0.886 119.270 120.200 -0.073 0.000 2.086 689 E HA -0.293 4.069 4.350 0.020 0.000 0.200 689 E C 2.192 178.779 176.600 -0.023 0.000 1.012 689 E CA 2.180 58.522 56.400 -0.096 0.000 0.812 689 E CB -0.222 29.355 29.700 -0.206 0.000 0.743 689 E HN 0.659 nan 8.360 nan 0.000 0.453 690 Y N 0.106 120.424 120.300 0.031 0.000 2.049 690 Y HA -0.255 4.305 4.550 0.016 0.000 0.277 690 Y C 2.269 178.255 175.900 0.144 0.000 1.143 690 Y CA 1.009 59.154 58.100 0.074 0.000 1.115 690 Y CB -0.885 37.651 38.460 0.127 0.000 0.975 690 Y HN 0.131 nan 8.280 nan 0.000 0.487 691 L N 0.226 121.646 121.223 0.328 0.000 2.064 691 L HA -0.314 4.038 4.340 0.020 0.000 0.216 691 L C 2.267 179.278 176.870 0.235 0.000 1.077 691 L CA 1.778 56.784 54.840 0.278 0.000 0.766 691 L CB -1.577 40.568 42.059 0.143 0.000 0.890 691 L HN 0.385 nan 8.230 nan 0.000 0.435 692 Q N -1.152 118.728 119.800 0.135 0.000 2.226 692 Q HA -0.154 4.198 4.340 0.020 0.000 0.204 692 Q C 2.092 178.128 176.000 0.060 0.000 0.975 692 Q CA 1.524 57.374 55.803 0.078 0.000 0.866 692 Q CB -0.215 28.540 28.738 0.028 0.000 0.915 692 Q HN 0.683 nan 8.270 nan 0.000 0.440 693 S N -0.799 114.927 115.700 0.043 0.000 2.603 693 S HA -0.076 4.406 4.470 0.020 0.000 0.229 693 S C 0.754 175.213 174.600 -0.235 0.000 0.972 693 S CA 0.257 58.405 58.200 -0.087 0.000 0.935 693 S CB -0.078 63.062 63.200 -0.100 0.000 0.769 693 S HN 0.342 nan 8.310 nan 0.000 0.536 694 Y N 1.566 121.897 120.300 0.052 0.000 2.625 694 Y HA 0.315 4.876 4.550 0.019 0.000 0.285 694 Y C -0.092 175.822 175.900 0.024 0.000 1.168 694 Y CA -1.206 56.916 58.100 0.036 0.000 1.250 694 Y CB -0.410 38.073 38.460 0.038 0.000 1.130 694 Y HN 0.154 nan 8.280 nan 0.000 0.526 695 D N 1.887 122.346 120.400 0.099 0.000 2.886 695 D HA -0.230 4.422 4.640 0.020 0.000 0.221 695 D C -0.468 175.878 176.300 0.076 0.000 1.227 695 D CA 1.094 55.134 54.000 0.066 0.000 0.746 695 D CB -0.537 40.289 40.800 0.044 0.000 0.935 695 D HN 0.522 nan 8.370 nan 0.000 0.399 696 E N 0.202 120.451 120.200 0.082 0.000 2.317 696 E HA 0.428 4.790 4.350 0.020 0.000 0.270 696 E C 0.089 176.711 176.600 0.035 0.000 0.885 696 E CA -1.090 55.346 56.400 0.059 0.000 0.760 696 E CB 1.656 31.403 29.700 0.078 0.000 1.227 696 E HN 0.022 nan 8.360 nan 0.000 0.434 697 I N 2.558 123.135 120.570 0.012 0.000 2.379 697 I HA 0.128 4.309 4.170 0.020 0.000 0.290 697 I C 0.109 176.227 176.117 0.002 0.000 1.063 697 I CA 0.139 61.439 61.300 -0.001 0.000 1.351 697 I CB 0.158 38.147 38.000 -0.019 0.000 1.410 697 I HN 0.398 nan 8.210 nan 0.000 0.505 698 T N 5.931 120.488 114.554 0.005 0.000 2.824 698 T HA 0.673 5.035 4.350 0.020 0.000 0.280 698 T C 0.173 174.867 174.700 -0.009 0.000 0.995 698 T CA -0.553 61.550 62.100 0.006 0.000 1.009 698 T CB 1.877 70.754 68.868 0.014 0.000 0.955 698 T HN 0.703 nan 8.240 nan 0.000 0.452 699 A N 3.197 126.011 122.820 -0.011 0.000 2.330 699 A HA 0.821 5.153 4.320 0.020 0.000 0.327 699 A C -0.578 176.997 177.584 -0.016 0.000 1.155 699 A CA -0.820 51.203 52.037 -0.023 0.000 0.803 699 A CB 1.073 20.050 19.000 -0.038 0.000 1.208 699 A HN 0.729 nan 8.150 nan 0.000 0.477 700 M N 2.287 121.875 119.600 -0.020 0.000 2.181 700 M HA 0.512 5.004 4.480 0.020 0.000 0.323 700 M C -0.807 175.485 176.300 -0.012 0.000 1.004 700 M CA 0.007 55.301 55.300 -0.010 0.000 0.941 700 M CB 1.460 34.052 32.600 -0.014 0.000 1.579 700 M HN 0.544 nan 8.290 nan 0.000 0.427 701 T N 3.627 118.187 114.554 0.009 0.000 2.779 701 T HA 0.934 5.295 4.350 0.020 0.000 0.280 701 T C 0.011 174.739 174.700 0.046 0.000 0.987 701 T CA -0.560 61.549 62.100 0.016 0.000 0.966 701 T CB 1.343 70.240 68.868 0.049 0.000 0.933 701 T HN 0.882 nan 8.240 nan 0.000 0.442 702 G N 1.277 110.099 108.800 0.035 0.000 2.634 702 G HA2 0.558 4.530 3.960 0.020 0.000 0.309 702 G HA3 0.558 4.530 3.960 0.020 0.000 0.309 702 G C -1.053 173.871 174.900 0.039 0.000 1.299 702 G CA -0.576 44.551 45.100 0.046 0.000 0.798 702 G HN 0.564 nan 8.290 nan 0.000 0.490 703 D N -1.789 118.636 120.400 0.041 0.000 2.345 703 D HA 0.242 4.894 4.640 0.020 0.000 0.290 703 D C 0.890 177.211 176.300 0.035 0.000 1.107 703 D CA 0.807 54.830 54.000 0.037 0.000 0.836 703 D CB 0.517 41.344 40.800 0.045 0.000 1.406 703 D HN 0.861 nan 8.370 nan 0.000 0.532 704 G N 0.730 109.554 108.800 0.040 0.000 2.511 704 G HA2 0.461 4.432 3.960 0.020 0.000 0.318 704 G HA3 0.461 4.432 3.960 0.020 0.000 0.318 704 G C 1.079 176.003 174.900 0.040 0.000 1.210 704 G CA -0.242 44.885 45.100 0.044 0.000 0.969 704 G HN 0.205 nan 8.290 nan 0.000 0.484 705 V N -0.633 119.306 119.914 0.042 0.000 2.688 705 V HA -0.134 3.998 4.120 0.020 0.000 0.256 705 V C 1.783 177.895 176.094 0.030 0.000 1.084 705 V CA 1.829 64.148 62.300 0.032 0.000 1.103 705 V CB -0.707 31.136 31.823 0.033 0.000 0.688 705 V HN 0.705 nan 8.190 nan 0.000 0.480 706 N N -0.544 118.183 118.700 0.046 0.000 2.485 706 N HA -0.055 4.697 4.740 0.020 0.000 0.199 706 N C 0.698 176.226 175.510 0.030 0.000 1.236 706 N CA 0.989 54.063 53.050 0.040 0.000 0.852 706 N CB 0.122 38.649 38.487 0.067 0.000 1.018 706 N HN 0.570 nan 8.380 nan 0.000 0.457 707 D N -0.308 120.106 120.400 0.024 0.000 2.473 707 D HA 0.268 4.920 4.640 0.020 0.000 0.242 707 D C 1.753 178.055 176.300 0.004 0.000 1.106 707 D CA 0.374 54.384 54.000 0.017 0.000 0.854 707 D CB 0.391 41.206 40.800 0.025 0.000 1.192 707 D HN 0.201 nan 8.370 nan 0.000 0.503 708 A N 2.308 125.130 122.820 0.003 0.000 1.881 708 A HA -0.186 4.146 4.320 0.020 0.000 0.219 708 A C -0.385 177.190 177.584 -0.014 0.000 1.215 708 A CA 1.941 53.974 52.037 -0.005 0.000 0.648 708 A CB -1.702 17.295 19.000 -0.005 0.000 0.832 708 A HN 0.165 nan 8.150 nan 0.000 0.455 709 P HA -0.205 nan 4.420 nan 0.000 0.215 709 P C 1.811 179.092 177.300 -0.033 0.000 1.163 709 P CA 2.380 65.462 63.100 -0.030 0.000 0.894 709 P CB -0.204 31.474 31.700 -0.038 0.000 0.791 710 A N -0.957 121.845 122.820 -0.030 0.000 1.873 710 A HA -0.151 4.180 4.320 0.020 0.000 0.215 710 A C 2.289 179.858 177.584 -0.026 0.000 1.186 710 A CA 1.298 53.315 52.037 -0.033 0.000 0.616 710 A CB -1.639 17.342 19.000 -0.032 0.000 0.823 710 A HN 0.070 nan 8.150 nan 0.000 0.442 711 L N -0.886 120.327 121.223 -0.018 0.000 2.010 711 L HA -0.309 4.043 4.340 0.020 0.000 0.219 711 L C 2.692 179.549 176.870 -0.021 0.000 1.077 711 L CA 2.284 57.114 54.840 -0.016 0.000 0.773 711 L CB -0.398 41.655 42.059 -0.011 0.000 0.892 711 L HN 0.376 nan 8.230 nan 0.000 0.436 712 K N 0.175 120.562 120.400 -0.022 0.000 2.097 712 K HA -0.217 4.115 4.320 0.020 0.000 0.205 712 K C 2.033 178.617 176.600 -0.027 0.000 1.050 712 K CA 1.341 57.614 56.287 -0.024 0.000 0.938 712 K CB 0.023 32.509 32.500 -0.024 0.000 0.718 712 K HN 0.014 nan 8.250 nan 0.000 0.442 713 K N 0.120 120.502 120.400 -0.032 0.000 2.305 713 K HA 0.154 4.486 4.320 0.020 0.000 0.199 713 K C 0.253 176.835 176.600 -0.030 0.000 1.047 713 K CA 0.565 56.831 56.287 -0.035 0.000 0.976 713 K CB -0.046 32.426 32.500 -0.046 0.000 0.765 713 K HN 0.151 nan 8.250 nan 0.000 0.474 714 A N 0.826 123.630 122.820 -0.027 0.000 2.346 714 A HA 0.135 4.467 4.320 0.020 0.000 0.255 714 A C 0.773 178.344 177.584 -0.022 0.000 1.113 714 A CA -0.066 51.958 52.037 -0.022 0.000 0.798 714 A CB 0.167 19.154 19.000 -0.022 0.000 1.073 714 A HN 0.365 nan 8.150 nan 0.000 0.502 715 E N -0.681 119.507 120.200 -0.020 0.000 2.046 715 E HA -0.038 4.324 4.350 0.020 0.000 0.190 715 E C 0.518 177.103 176.600 -0.026 0.000 0.982 715 E CA 1.250 57.637 56.400 -0.021 0.000 0.800 715 E CB -0.061 29.627 29.700 -0.020 0.000 0.756 715 E HN 0.600 nan 8.360 nan 0.000 0.449 716 I N -1.108 119.444 120.570 -0.030 0.000 2.436 716 I HA 0.562 4.744 4.170 0.020 0.000 0.289 716 I C 0.286 176.382 176.117 -0.036 0.000 1.010 716 I CA -1.122 60.157 61.300 -0.035 0.000 1.098 716 I CB 1.095 39.068 38.000 -0.044 0.000 1.266 716 I HN -0.087 nan 8.210 nan 0.000 0.434 717 G N 6.746 115.526 108.800 -0.033 0.000 2.322 717 G HA2 0.677 4.649 3.960 0.020 0.000 0.309 717 G HA3 0.677 4.649 3.960 0.020 0.000 0.309 717 G C -0.592 174.285 174.900 -0.039 0.000 1.121 717 G CA -0.558 44.523 45.100 -0.032 0.000 0.886 717 G HN 0.625 nan 8.290 nan 0.000 0.447 718 I N 2.222 122.765 120.570 -0.045 0.000 2.382 718 I HA 0.482 4.664 4.170 0.020 0.000 0.286 718 I C 0.565 176.660 176.117 -0.037 0.000 1.002 718 I CA -0.690 60.576 61.300 -0.056 0.000 1.135 718 I CB 1.784 39.726 38.000 -0.097 0.000 1.288 718 I HN 0.515 nan 8.210 nan 0.000 0.448 719 A N 7.551 130.355 122.820 -0.026 0.000 2.282 719 A HA 0.837 5.169 4.320 0.020 0.000 0.319 719 A C -0.098 177.483 177.584 -0.004 0.000 1.121 719 A CA -0.690 51.342 52.037 -0.009 0.000 0.836 719 A CB 0.969 19.965 19.000 -0.006 0.000 1.146 719 A HN 0.609 nan 8.150 nan 0.000 0.494 720 M N 1.339 120.947 119.600 0.013 0.000 2.274 720 M HA 0.237 4.729 4.480 0.020 0.000 0.344 720 M C 1.543 177.854 176.300 0.018 0.000 1.161 720 M CA -0.017 55.296 55.300 0.021 0.000 1.126 720 M CB 0.803 33.426 32.600 0.038 0.000 1.522 720 M HN 0.901 nan 8.290 nan 0.000 0.461 721 G N 0.892 109.704 108.800 0.019 0.000 2.422 721 G HA2 -0.119 3.853 3.960 0.020 0.000 0.218 721 G HA3 -0.119 3.853 3.960 0.020 0.000 0.218 721 G C 1.363 176.279 174.900 0.027 0.000 1.140 721 G CA 0.678 45.791 45.100 0.022 0.000 0.775 721 G HN 0.685 nan 8.290 nan 0.000 0.545 722 S N 0.333 116.052 115.700 0.032 0.000 2.414 722 S HA 0.168 4.650 4.470 0.020 0.000 0.227 722 S C 1.810 176.427 174.600 0.029 0.000 1.022 722 S CA 0.307 58.527 58.200 0.034 0.000 0.958 722 S CB -0.201 63.025 63.200 0.042 0.000 0.797 722 S HN 0.587 nan 8.310 nan 0.000 0.493 723 G N 1.911 110.729 108.800 0.029 0.000 2.590 723 G HA2 0.272 4.244 3.960 0.020 0.000 0.276 723 G HA3 0.272 4.244 3.960 0.020 0.000 0.276 723 G C 0.204 175.115 174.900 0.019 0.000 1.337 723 G CA -0.094 45.022 45.100 0.026 0.000 1.030 723 G HN 0.409 nan 8.290 nan 0.000 0.534 724 T N -2.496 112.070 114.554 0.019 0.000 2.860 724 T HA 0.437 4.799 4.350 0.020 0.000 0.299 724 T C 1.600 176.305 174.700 0.009 0.000 1.045 724 T CA 0.209 62.317 62.100 0.014 0.000 1.071 724 T CB 1.414 70.292 68.868 0.017 0.000 0.985 724 T HN 0.864 nan 8.240 nan 0.000 0.537 725 A N 1.585 124.408 122.820 0.005 0.000 1.877 725 A HA -0.005 4.327 4.320 0.020 0.000 0.216 725 A C 2.433 180.019 177.584 0.002 0.000 1.186 725 A CA 1.437 53.476 52.037 0.002 0.000 0.620 725 A CB -1.246 17.753 19.000 -0.001 0.000 0.822 725 A HN 0.724 nan 8.150 nan 0.000 0.443 726 V N -0.115 119.801 119.914 0.004 0.000 2.278 726 V HA -0.357 3.774 4.120 0.020 0.000 0.251 726 V C 3.054 179.150 176.094 0.003 0.000 1.062 726 V CA 2.344 64.646 62.300 0.004 0.000 1.038 726 V CB -1.147 30.680 31.823 0.007 0.000 0.646 726 V HN 0.653 nan 8.190 nan 0.000 0.447 727 A N -0.874 121.950 122.820 0.007 0.000 1.898 727 A HA -0.220 4.112 4.320 0.020 0.000 0.216 727 A C 2.257 179.841 177.584 0.001 0.000 1.181 727 A CA 1.900 53.941 52.037 0.006 0.000 0.620 727 A CB -0.435 18.573 19.000 0.013 0.000 0.819 727 A HN 0.559 nan 8.150 nan 0.000 0.442 728 K N -0.885 119.515 120.400 0.001 0.000 2.009 728 K HA -0.127 4.205 4.320 0.020 0.000 0.210 728 K C 2.067 178.664 176.600 -0.006 0.000 1.049 728 K CA 1.813 58.099 56.287 -0.003 0.000 0.929 728 K CB -0.586 31.913 32.500 -0.001 0.000 0.714 728 K HN 0.413 nan 8.250 nan 0.000 0.440 729 T N 0.794 115.345 114.554 -0.005 0.000 2.760 729 T HA -0.172 4.190 4.350 0.020 0.000 0.269 729 T C 1.443 176.138 174.700 -0.010 0.000 1.047 729 T CA 1.506 63.602 62.100 -0.007 0.000 1.139 729 T CB -0.154 68.711 68.868 -0.005 0.000 0.855 729 T HN 0.347 nan 8.240 nan 0.000 0.471 730 A N 0.443 123.258 122.820 -0.009 0.000 2.462 730 A HA 0.538 4.870 4.320 0.020 0.000 0.261 730 A C 0.838 178.413 177.584 -0.015 0.000 1.323 730 A CA -0.311 51.718 52.037 -0.012 0.000 0.913 730 A CB 0.251 19.244 19.000 -0.011 0.000 1.028 730 A HN 0.284 nan 8.150 nan 0.000 0.511 731 S N -1.055 114.636 115.700 -0.016 0.000 2.607 731 S HA 0.448 4.930 4.470 0.020 0.000 0.303 731 S C 0.405 174.990 174.600 -0.024 0.000 1.086 731 S CA -0.442 57.746 58.200 -0.021 0.000 0.995 731 S CB 1.675 64.863 63.200 -0.020 0.000 1.084 731 S HN 0.371 nan 8.310 nan 0.000 0.507 732 E N 0.742 120.924 120.200 -0.029 0.000 2.127 732 E HA 0.272 4.634 4.350 0.020 0.000 0.191 732 E C 0.022 176.601 176.600 -0.035 0.000 0.964 732 E CA 0.913 57.294 56.400 -0.031 0.000 0.832 732 E CB 0.210 29.890 29.700 -0.034 0.000 0.790 732 E HN 0.459 nan 8.360 nan 0.000 0.465 733 M N 0.580 120.155 119.600 -0.041 0.000 2.537 733 M HA 0.409 4.901 4.480 0.020 0.000 0.324 733 M C -1.113 175.162 176.300 -0.041 0.000 1.187 733 M CA -0.798 54.474 55.300 -0.046 0.000 0.993 733 M CB 2.390 34.953 32.600 -0.061 0.000 1.666 733 M HN -0.254 nan 8.290 nan 0.000 0.461 734 V N 4.384 124.276 119.914 -0.037 0.000 2.447 734 V HA 0.328 4.460 4.120 0.020 0.000 0.292 734 V C -0.336 175.740 176.094 -0.031 0.000 1.021 734 V CA -0.659 61.625 62.300 -0.028 0.000 0.850 734 V CB 1.701 33.514 31.823 -0.016 0.000 1.005 734 V HN 0.696 nan 8.190 nan 0.000 0.426 735 L N 4.422 125.625 121.223 -0.033 0.000 2.462 735 L HA 0.325 4.677 4.340 0.020 0.000 0.283 735 L C 1.678 178.541 176.870 -0.012 0.000 1.166 735 L CA -0.067 54.754 54.840 -0.031 0.000 0.964 735 L CB 0.392 42.429 42.059 -0.037 0.000 1.294 735 L HN 0.787 nan 8.230 nan 0.000 0.449 736 A N 1.979 124.790 122.820 -0.014 0.000 1.902 736 A HA -0.204 4.128 4.320 0.020 0.000 0.217 736 A C 2.021 179.605 177.584 0.001 0.000 1.181 736 A CA 1.425 53.463 52.037 0.001 0.000 0.623 736 A CB -0.260 18.740 19.000 -0.000 0.000 0.818 736 A HN 0.767 nan 8.150 nan 0.000 0.443 737 D N -0.619 119.768 120.400 -0.022 0.000 2.271 737 D HA -0.195 4.457 4.640 0.020 0.000 0.207 737 D C -0.022 176.284 176.300 0.010 0.000 0.983 737 D CA 1.428 55.417 54.000 -0.017 0.000 0.878 737 D CB -0.220 40.562 40.800 -0.031 0.000 0.920 737 D HN 0.371 nan 8.370 nan 0.000 0.479 738 D N -0.225 120.185 120.400 0.017 0.000 3.067 738 D HA -0.231 4.421 4.640 0.020 0.000 0.216 738 D C -0.113 176.222 176.300 0.058 0.000 1.162 738 D CA 0.557 54.580 54.000 0.038 0.000 0.960 738 D CB -1.639 39.188 40.800 0.045 0.000 1.129 738 D HN 0.321 nan 8.370 nan 0.000 0.408 739 N N 0.070 118.794 118.700 0.039 0.000 2.431 739 N HA 0.058 4.810 4.740 0.020 0.000 0.265 739 N C 0.640 176.200 175.510 0.083 0.000 1.184 739 N CA 0.017 53.103 53.050 0.060 0.000 0.943 739 N CB -0.051 38.452 38.487 0.025 0.000 1.080 739 N HN 0.063 nan 8.380 nan 0.000 0.477 740 F N 3.053 122.995 119.950 -0.014 0.000 2.234 740 F HA -0.130 4.409 4.527 0.019 0.000 0.299 740 F C 2.183 177.974 175.800 -0.016 0.000 1.087 740 F CA 0.957 58.948 58.000 -0.014 0.000 1.340 740 F CB 0.098 39.090 39.000 -0.014 0.000 1.031 740 F HN 0.494 nan 8.300 nan 0.000 0.500 741 S N -0.165 115.634 115.700 0.164 0.000 2.378 741 S HA -0.293 4.189 4.470 0.020 0.000 0.229 741 S C 1.959 176.547 174.600 -0.020 0.000 1.052 741 S CA 2.173 60.420 58.200 0.079 0.000 1.084 741 S CB -0.861 62.373 63.200 0.057 0.000 0.950 741 S HN 0.507 nan 8.310 nan 0.000 0.440 742 T N 2.927 117.455 114.554 -0.043 0.000 2.649 742 T HA -0.187 4.175 4.350 0.020 0.000 0.268 742 T C 1.660 176.291 174.700 -0.114 0.000 1.036 742 T CA 1.699 63.756 62.100 -0.071 0.000 1.157 742 T CB -0.722 68.105 68.868 -0.069 0.000 0.861 742 T HN 0.370 nan 8.240 nan 0.000 0.445 743 I N 0.644 121.094 120.570 -0.200 0.000 2.143 743 I HA -0.240 3.942 4.170 0.020 0.000 0.245 743 I C 2.485 178.509 176.117 -0.156 0.000 1.068 743 I CA 1.435 62.588 61.300 -0.245 0.000 1.326 743 I CB -0.788 36.920 38.000 -0.486 0.000 1.028 743 I HN 0.161 nan 8.210 nan 0.000 0.412 744 V N 0.929 120.774 119.914 -0.116 0.000 2.323 744 V HA -0.236 3.896 4.120 0.020 0.000 0.244 744 V C 2.766 178.833 176.094 -0.044 0.000 1.041 744 V CA 1.850 64.117 62.300 -0.055 0.000 1.025 744 V CB -0.955 30.865 31.823 -0.006 0.000 0.656 744 V HN 0.506 nan 8.190 nan 0.000 0.451 745 A N 0.152 122.948 122.820 -0.041 0.000 1.948 745 A HA -0.225 4.107 4.320 0.020 0.000 0.220 745 A C 2.385 179.941 177.584 -0.047 0.000 1.177 745 A CA 2.365 54.380 52.037 -0.037 0.000 0.636 745 A CB -0.774 18.205 19.000 -0.034 0.000 0.815 745 A HN 0.606 nan 8.150 nan 0.000 0.449 746 A N -0.281 122.501 122.820 -0.063 0.000 1.930 746 A HA 0.044 4.375 4.320 0.020 0.000 0.217 746 A C 2.333 179.881 177.584 -0.059 0.000 1.175 746 A CA 1.998 53.996 52.037 -0.066 0.000 0.627 746 A CB -1.062 17.889 19.000 -0.082 0.000 0.815 746 A HN 1.232 nan 8.150 nan 0.000 0.443 747 V N -1.522 118.356 119.914 -0.059 0.000 2.591 747 V HA -0.153 3.979 4.120 0.020 0.000 0.249 747 V C 2.061 178.131 176.094 -0.040 0.000 1.053 747 V CA 2.312 64.582 62.300 -0.051 0.000 1.068 747 V CB -0.759 31.034 31.823 -0.049 0.000 0.689 747 V HN 0.661 nan 8.190 nan 0.000 0.462 748 E N 0.662 120.841 120.200 -0.035 0.000 2.110 748 E HA -0.311 4.051 4.350 0.020 0.000 0.193 748 E C 2.161 178.744 176.600 -0.027 0.000 0.988 748 E CA 1.715 58.099 56.400 -0.027 0.000 0.804 748 E CB -0.165 29.521 29.700 -0.022 0.000 0.745 748 E HN 0.757 nan 8.360 nan 0.000 0.458 749 E N -0.196 119.982 120.200 -0.036 0.000 2.047 749 E HA -0.083 4.279 4.350 0.020 0.000 0.191 749 E C 1.913 178.492 176.600 -0.034 0.000 0.987 749 E CA 1.593 57.968 56.400 -0.042 0.000 0.799 749 E CB -0.659 29.010 29.700 -0.053 0.000 0.752 749 E HN 0.337 nan 8.360 nan 0.000 0.449 750 G N -0.343 108.438 108.800 -0.033 0.000 2.471 750 G HA2 -0.259 3.713 3.960 0.020 0.000 0.219 750 G HA3 -0.259 3.713 3.960 0.020 0.000 0.219 750 G C 1.746 176.649 174.900 0.004 0.000 1.125 750 G CA 0.641 45.728 45.100 -0.020 0.000 0.775 750 G HN 0.126 nan 8.290 nan 0.000 0.548 751 R N 0.436 120.934 120.500 -0.003 0.000 2.090 751 R HA 0.215 4.567 4.340 0.020 0.000 0.228 751 R C 2.801 179.138 176.300 0.063 0.000 1.110 751 R CA 1.428 57.536 56.100 0.015 0.000 0.973 751 R CB -0.374 29.923 30.300 -0.006 0.000 0.869 751 R HN 0.259 nan 8.270 nan 0.000 0.440 752 A N 0.382 123.218 122.820 0.025 0.000 1.840 752 A HA -0.052 4.280 4.320 0.020 0.000 0.214 752 A C 2.135 179.724 177.584 0.008 0.000 1.198 752 A CA 1.239 53.282 52.037 0.011 0.000 0.608 752 A CB -0.626 18.361 19.000 -0.022 0.000 0.839 752 A HN 0.263 nan 8.150 nan 0.000 0.443 753 I N -1.567 118.997 120.570 -0.010 0.000 2.236 753 I HA -0.342 3.840 4.170 0.020 0.000 0.249 753 I C 2.488 178.612 176.117 0.012 0.000 1.102 753 I CA 2.131 63.412 61.300 -0.032 0.000 1.365 753 I CB -0.408 37.570 38.000 -0.035 0.000 1.051 753 I HN 0.570 nan 8.210 nan 0.000 0.420 754 Y N 1.808 122.076 120.300 -0.052 0.000 2.163 754 Y HA -0.241 4.321 4.550 0.020 0.000 0.288 754 Y C 2.251 178.139 175.900 -0.020 0.000 1.136 754 Y CA 2.020 60.098 58.100 -0.036 0.000 1.147 754 Y CB -0.525 37.917 38.460 -0.029 0.000 0.987 754 Y HN 0.191 nan 8.280 nan 0.000 0.509 755 N N -0.248 118.495 118.700 0.072 0.000 2.120 755 N HA -0.220 4.532 4.740 0.020 0.000 0.188 755 N C 1.397 176.879 175.510 -0.046 0.000 1.024 755 N CA 1.056 54.110 53.050 0.007 0.000 0.852 755 N CB -0.201 38.318 38.487 0.054 0.000 1.003 755 N HN 0.349 nan 8.380 nan 0.000 0.424 756 N N 0.882 119.557 118.700 -0.041 0.000 2.043 756 N HA -0.115 4.637 4.740 0.020 0.000 0.193 756 N C 1.602 177.087 175.510 -0.041 0.000 1.037 756 N CA 1.098 54.124 53.050 -0.039 0.000 0.851 756 N CB -0.304 38.140 38.487 -0.073 0.000 1.027 756 N HN 0.184 nan 8.380 nan 0.000 0.422 757 M N 1.399 120.928 119.600 -0.117 0.000 2.106 757 M HA -0.125 4.367 4.480 0.020 0.000 0.259 757 M C 1.728 177.982 176.300 -0.078 0.000 1.068 757 M CA 1.316 56.537 55.300 -0.131 0.000 1.100 757 M CB -0.850 31.616 32.600 -0.224 0.000 1.351 757 M HN 0.069 nan 8.290 nan 0.000 0.404 758 K N -0.081 120.208 120.400 -0.185 0.000 1.991 758 K HA -0.179 4.153 4.320 0.020 0.000 0.212 758 K C 2.043 178.668 176.600 0.041 0.000 1.049 758 K CA 1.475 57.690 56.287 -0.120 0.000 0.932 758 K CB -0.645 31.763 32.500 -0.153 0.000 0.717 758 K HN 0.316 nan 8.250 nan 0.000 0.441 759 Q N 0.066 119.902 119.800 0.060 0.000 2.096 759 Q HA -0.102 4.250 4.340 0.020 0.000 0.204 759 Q C 1.865 177.959 176.000 0.157 0.000 0.982 759 Q CA 1.203 57.069 55.803 0.105 0.000 0.850 759 Q CB -0.518 28.263 28.738 0.073 0.000 0.901 759 Q HN 0.291 nan 8.270 nan 0.000 0.422 760 F N 0.446 120.408 119.950 0.021 0.000 2.025 760 F HA -0.248 4.291 4.527 0.020 0.000 0.297 760 F C 1.857 177.698 175.800 0.068 0.000 1.132 760 F CA 1.570 59.600 58.000 0.051 0.000 1.191 760 F CB -0.391 38.611 39.000 0.003 0.000 0.963 760 F HN 0.048 nan 8.300 nan 0.000 0.481 761 I N 0.036 120.701 120.570 0.158 0.000 2.315 761 I HA -0.341 3.840 4.170 0.020 0.000 0.251 761 I C 2.740 178.811 176.117 -0.077 0.000 1.125 761 I CA 1.394 62.683 61.300 -0.018 0.000 1.392 761 I CB -0.503 37.455 38.000 -0.069 0.000 1.065 761 I HN 0.225 nan 8.210 nan 0.000 0.424 762 R N 0.028 120.593 120.500 0.109 0.000 2.066 762 R HA -0.231 4.121 4.340 0.020 0.000 0.232 762 R C 2.472 178.840 176.300 0.113 0.000 1.131 762 R CA 1.829 58.112 56.100 0.305 0.000 0.955 762 R CB -0.441 30.055 30.300 0.325 0.000 0.851 762 R HN 0.329 nan 8.270 nan 0.000 0.432 763 Y N 1.161 121.418 120.300 -0.073 0.000 2.133 763 Y HA -0.176 4.386 4.550 0.020 0.000 0.287 763 Y C 2.074 177.854 175.900 -0.200 0.000 1.134 763 Y CA 1.381 59.409 58.100 -0.121 0.000 1.133 763 Y CB -0.473 37.905 38.460 -0.137 0.000 0.987 763 Y HN -0.020 nan 8.280 nan 0.000 0.502 764 L N -0.173 120.810 121.223 -0.400 0.000 2.012 764 L HA -0.263 4.089 4.340 0.020 0.000 0.210 764 L C 2.349 178.989 176.870 -0.384 0.000 1.073 764 L CA 1.508 56.056 54.840 -0.486 0.000 0.748 764 L CB -0.881 40.887 42.059 -0.485 0.000 0.891 764 L HN 0.363 nan 8.230 nan 0.000 0.431 765 I N -0.036 120.328 120.570 -0.344 0.000 2.133 765 I HA -0.226 3.955 4.170 0.020 0.000 0.238 765 I C 2.867 178.803 176.117 -0.303 0.000 1.074 765 I CA 1.802 62.880 61.300 -0.369 0.000 1.342 765 I CB -1.413 36.189 38.000 -0.663 0.000 1.053 765 I HN 0.317 nan 8.210 nan 0.000 0.404 766 S N 0.302 115.873 115.700 -0.215 0.000 2.382 766 S HA -0.136 4.346 4.470 0.020 0.000 0.228 766 S C 2.142 176.638 174.600 -0.173 0.000 1.027 766 S CA 1.521 59.648 58.200 -0.121 0.000 0.991 766 S CB -0.644 62.559 63.200 0.006 0.000 0.823 766 S HN 0.358 nan 8.310 nan 0.000 0.469 767 S N 3.265 118.800 115.700 -0.275 0.000 2.336 767 S HA -0.033 4.449 4.470 0.020 0.000 0.214 767 S C 1.797 176.248 174.600 -0.248 0.000 1.032 767 S CA 1.334 59.352 58.200 -0.304 0.000 1.001 767 S CB -0.782 62.075 63.200 -0.571 0.000 0.953 767 S HN 0.578 nan 8.310 nan 0.000 0.430 768 N N 1.078 119.610 118.700 -0.280 0.000 2.430 768 N HA -0.034 4.718 4.740 0.020 0.000 0.186 768 N C 1.382 176.783 175.510 -0.183 0.000 1.032 768 N CA 0.388 53.309 53.050 -0.216 0.000 0.893 768 N CB -0.498 37.863 38.487 -0.211 0.000 0.957 768 N HN 0.152 nan 8.380 nan 0.000 0.442 769 V N -0.027 119.776 119.914 -0.185 0.000 2.488 769 V HA -0.028 4.104 4.120 0.020 0.000 0.246 769 V C 2.272 178.286 176.094 -0.132 0.000 1.046 769 V CA 1.753 63.958 62.300 -0.159 0.000 1.053 769 V CB -0.919 30.802 31.823 -0.170 0.000 0.679 769 V HN 0.341 nan 8.190 nan 0.000 0.458 770 G N -0.134 108.592 108.800 -0.123 0.000 2.440 770 G HA2 -0.257 3.715 3.960 0.020 0.000 0.218 770 G HA3 -0.257 3.715 3.960 0.020 0.000 0.218 770 G C 1.365 176.208 174.900 -0.095 0.000 1.154 770 G CA 0.965 46.010 45.100 -0.093 0.000 0.767 770 G HN 0.597 nan 8.290 nan 0.000 0.552 771 E N -0.065 120.067 120.200 -0.113 0.000 2.204 771 E HA -0.073 4.289 4.350 0.020 0.000 0.195 771 E C 2.488 179.015 176.600 -0.123 0.000 0.990 771 E CA 0.969 57.306 56.400 -0.106 0.000 0.821 771 E CB -0.052 29.578 29.700 -0.116 0.000 0.750 771 E HN 0.414 nan 8.360 nan 0.000 0.477 772 V N 0.565 120.385 119.914 -0.158 0.000 3.174 772 V HA -0.094 4.038 4.120 0.020 0.000 0.254 772 V C 2.135 178.116 176.094 -0.188 0.000 1.120 772 V CA 0.541 62.697 62.300 -0.238 0.000 1.114 772 V CB 0.433 32.073 31.823 -0.305 0.000 0.756 772 V HN 0.082 nan 8.190 nan 0.000 0.467 773 V N -0.489 119.366 119.914 -0.099 0.000 2.515 773 V HA -0.278 3.854 4.120 0.020 0.000 0.250 773 V C 2.552 178.647 176.094 0.002 0.000 1.058 773 V CA 1.982 64.269 62.300 -0.023 0.000 1.064 773 V CB -0.660 31.146 31.823 -0.029 0.000 0.675 773 V HN 0.779 nan 8.190 nan 0.000 0.461 774 C N 0.277 119.559 119.300 -0.029 0.000 2.388 774 C HA -0.207 4.265 4.460 0.020 0.000 0.277 774 C C 2.520 177.527 174.990 0.029 0.000 1.210 774 C CA 1.561 60.573 59.018 -0.010 0.000 1.743 774 C CB -0.827 26.895 27.740 -0.029 0.000 2.047 774 C HN 0.513 nan 8.230 nan 0.000 0.458 775 I N 0.060 120.641 120.570 0.018 0.000 2.163 775 I HA -0.009 4.173 4.170 0.020 0.000 0.240 775 I C 1.822 178.091 176.117 0.253 0.000 1.081 775 I CA 1.448 62.800 61.300 0.086 0.000 1.353 775 I CB -0.802 37.211 38.000 0.022 0.000 1.054 775 I HN 0.190 nan 8.210 nan 0.000 0.407 776 F N -0.081 119.877 119.950 0.014 0.000 2.772 776 F HA 0.003 4.542 4.527 0.020 0.000 0.302 776 F C 1.712 177.522 175.800 0.017 0.000 1.225 776 F CA 0.437 58.449 58.000 0.020 0.000 1.429 776 F CB -0.733 38.279 39.000 0.020 0.000 1.104 776 F HN 0.067 nan 8.300 nan 0.000 0.550 777 L N -0.905 120.427 121.223 0.182 0.000 2.600 777 L HA 0.045 4.397 4.340 0.020 0.000 0.213 777 L C 2.381 179.296 176.870 0.076 0.000 1.045 777 L CA 1.260 56.161 54.840 0.103 0.000 0.863 777 L CB -0.690 41.412 42.059 0.071 0.000 1.189 777 L HN 0.097 nan 8.230 nan 0.000 0.484 778 T N -2.322 112.278 114.554 0.077 0.000 2.732 778 T HA -0.023 4.339 4.350 0.020 0.000 0.261 778 T C 1.800 176.530 174.700 0.050 0.000 1.040 778 T CA 0.888 63.023 62.100 0.059 0.000 1.145 778 T CB -0.855 68.046 68.868 0.055 0.000 0.866 778 T HN 0.224 nan 8.240 nan 0.000 0.427 779 A N 0.993 123.853 122.820 0.066 0.000 2.225 779 A HA 0.552 4.884 4.320 0.020 0.000 0.215 779 A C 2.361 179.963 177.584 0.031 0.000 1.164 779 A CA 1.337 53.402 52.037 0.046 0.000 0.710 779 A CB -0.871 18.182 19.000 0.088 0.000 0.780 779 A HN 0.823 nan 8.150 nan 0.000 0.473 780 A N -1.965 120.876 122.820 0.034 0.000 2.211 780 A HA 0.430 4.762 4.320 0.020 0.000 0.208 780 A C 1.401 179.004 177.584 0.031 0.000 1.250 780 A CA 0.273 52.317 52.037 0.013 0.000 0.935 780 A CB -0.031 18.963 19.000 -0.009 0.000 0.982 780 A HN 0.368 nan 8.150 nan 0.000 0.490 781 L N -0.078 121.171 121.223 0.043 0.000 2.591 781 L HA 0.326 4.678 4.340 0.020 0.000 0.228 781 L C 1.291 178.199 176.870 0.063 0.000 1.133 781 L CA 1.154 56.024 54.840 0.051 0.000 0.880 781 L CB -0.261 41.827 42.059 0.048 0.000 1.033 781 L HN 0.638 nan 8.230 nan 0.000 0.450 782 G N 0.404 109.240 108.800 0.060 0.000 2.298 782 G HA2 -0.251 3.721 3.960 0.020 0.000 0.287 782 G HA3 -0.251 3.721 3.960 0.020 0.000 0.287 782 G C -0.081 174.854 174.900 0.059 0.000 1.075 782 G CA 0.416 45.562 45.100 0.077 0.000 0.960 782 G HN 0.268 nan 8.290 nan 0.000 0.502 783 L N -0.294 120.940 121.223 0.017 0.000 2.322 783 L HA 0.570 4.922 4.340 0.020 0.000 0.269 783 L C -1.764 175.068 176.870 -0.063 0.000 1.012 783 L CA -2.538 52.288 54.840 -0.024 0.000 0.815 783 L CB 1.900 43.963 42.059 0.007 0.000 1.295 783 L HN -0.037 nan 8.230 nan 0.000 0.438 784 P HA 0.084 nan 4.420 nan 0.000 0.269 784 P C -0.757 176.551 177.300 0.014 0.000 1.209 784 P CA -0.366 62.681 63.100 -0.088 0.000 0.776 784 P CB 0.370 31.983 31.700 -0.145 0.000 0.876 785 E N 0.604 120.813 120.200 0.014 0.000 2.458 785 E HA 0.055 4.417 4.350 0.020 0.000 0.264 785 E C 0.624 177.261 176.600 0.062 0.000 1.097 785 E CA 0.253 56.676 56.400 0.039 0.000 0.973 785 E CB 0.290 30.017 29.700 0.046 0.000 0.963 785 E HN 0.490 nan 8.360 nan 0.000 0.451 786 A N 2.496 125.344 122.820 0.047 0.000 2.259 786 A HA 0.261 4.593 4.320 0.020 0.000 0.213 786 A C 0.378 177.972 177.584 0.017 0.000 1.209 786 A CA 0.160 52.218 52.037 0.034 0.000 0.910 786 A CB 0.481 19.500 19.000 0.031 0.000 0.946 786 A HN 0.402 nan 8.150 nan 0.000 0.497 787 L N -1.163 120.073 121.223 0.022 0.000 2.540 787 L HA 0.570 4.922 4.340 0.020 0.000 0.256 787 L C -1.028 175.855 176.870 0.021 0.000 1.001 787 L CA -0.479 54.373 54.840 0.020 0.000 0.843 787 L CB 2.192 44.261 42.059 0.016 0.000 1.436 787 L HN 0.165 nan 8.230 nan 0.000 0.410 788 I N 0.965 121.550 120.570 0.025 0.000 3.023 788 I HA 0.401 4.583 4.170 0.020 0.000 0.312 788 I C -1.632 174.449 176.117 -0.060 0.000 1.056 788 I CA -2.248 59.058 61.300 0.009 0.000 1.033 788 I CB 2.858 40.903 38.000 0.075 0.000 1.233 788 I HN 0.397 nan 8.210 nan 0.000 0.462 789 P HA -0.228 nan 4.420 nan 0.000 0.214 789 P C 1.346 178.621 177.300 -0.041 0.000 1.164 789 P CA 1.607 64.610 63.100 -0.162 0.000 0.942 789 P CB -0.052 31.515 31.700 -0.223 0.000 0.791 790 V N -0.863 119.044 119.914 -0.012 0.000 3.078 790 V HA -0.183 3.949 4.120 0.020 0.000 0.265 790 V C 2.329 178.555 176.094 0.220 0.000 1.122 790 V CA 1.460 63.798 62.300 0.064 0.000 1.141 790 V CB -1.442 30.344 31.823 -0.063 0.000 0.735 790 V HN 0.216 nan 8.190 nan 0.000 0.498 791 Q N -0.073 119.826 119.800 0.164 0.000 2.137 791 Q HA -0.000 4.352 4.340 0.020 0.000 0.198 791 Q C 2.277 178.407 176.000 0.217 0.000 0.960 791 Q CA 1.138 57.072 55.803 0.218 0.000 0.847 791 Q CB -0.099 28.712 28.738 0.121 0.000 0.915 791 Q HN 0.567 nan 8.270 nan 0.000 0.448 792 L N 0.459 121.753 121.223 0.118 0.000 2.027 792 L HA -0.179 4.173 4.340 0.020 0.000 0.206 792 L C 2.283 179.224 176.870 0.118 0.000 1.074 792 L CA 0.948 55.835 54.840 0.079 0.000 0.745 792 L CB -0.610 41.448 42.059 -0.000 0.000 0.898 792 L HN 0.247 nan 8.230 nan 0.000 0.433 793 L N -1.047 120.261 121.223 0.143 0.000 2.263 793 L HA -0.283 4.069 4.340 0.020 0.000 0.216 793 L C 2.384 179.407 176.870 0.256 0.000 1.111 793 L CA 1.476 56.418 54.840 0.170 0.000 0.773 793 L CB -0.614 41.556 42.059 0.185 0.000 0.906 793 L HN 0.597 nan 8.230 nan 0.000 0.439 794 W N 0.784 122.163 121.300 0.131 0.000 2.526 794 W HA -0.081 4.591 4.660 0.020 0.000 0.294 794 W C 2.155 178.714 176.519 0.068 0.000 1.181 794 W CA 1.311 58.729 57.345 0.122 0.000 1.373 794 W CB 0.053 29.582 29.460 0.114 0.000 1.112 794 W HN -0.035 nan 8.180 nan 0.000 0.545 795 V N 1.266 121.261 119.914 0.136 0.000 2.568 795 V HA -0.322 3.810 4.120 0.020 0.000 0.253 795 V C 1.917 177.949 176.094 -0.103 0.000 1.072 795 V CA 2.250 64.540 62.300 -0.016 0.000 1.084 795 V CB -1.596 30.246 31.823 0.032 0.000 0.676 795 V HN 0.172 nan 8.190 nan 0.000 0.469 796 N N 0.841 119.503 118.700 -0.063 0.000 2.054 796 N HA -0.125 4.627 4.740 0.020 0.000 0.193 796 N C 1.650 177.089 175.510 -0.118 0.000 1.066 796 N CA 1.559 54.568 53.050 -0.068 0.000 0.853 796 N CB -0.533 37.945 38.487 -0.016 0.000 1.048 796 N HN 0.337 nan 8.380 nan 0.000 0.431 797 L N 0.045 121.191 121.223 -0.130 0.000 2.230 797 L HA -0.112 4.240 4.340 0.020 0.000 0.217 797 L C 1.731 178.432 176.870 -0.281 0.000 1.090 797 L CA 1.504 56.241 54.840 -0.173 0.000 0.771 797 L CB -0.420 41.532 42.059 -0.178 0.000 0.892 797 L HN 0.242 nan 8.230 nan 0.000 0.438 798 V N -1.783 117.890 119.914 -0.402 0.000 3.661 798 V HA 0.073 4.205 4.120 0.020 0.000 0.271 798 V C 1.664 177.652 176.094 -0.177 0.000 1.315 798 V CA 1.117 63.179 62.300 -0.397 0.000 1.072 798 V CB 0.212 31.603 31.823 -0.720 0.000 0.830 798 V HN 0.783 nan 8.190 nan 0.000 0.443 799 T N -5.472 109.014 114.554 -0.113 0.000 3.087 799 T HA 0.223 4.585 4.350 0.020 0.000 0.283 799 T C 0.502 175.244 174.700 0.069 0.000 0.956 799 T CA 0.090 62.199 62.100 0.015 0.000 0.894 799 T CB 0.189 69.059 68.868 0.004 0.000 1.160 799 T HN 0.243 nan 8.240 nan 0.000 0.532 800 D N 0.855 121.257 120.400 0.005 0.000 2.501 800 D HA 0.378 5.030 4.640 0.020 0.000 0.224 800 D C 1.117 177.452 176.300 0.058 0.000 1.202 800 D CA 0.064 54.075 54.000 0.018 0.000 0.829 800 D CB 1.088 41.867 40.800 -0.036 0.000 1.023 800 D HN 0.578 nan 8.370 nan 0.000 0.499 801 G N 0.045 108.877 108.800 0.054 0.000 3.434 801 G HA2 0.146 4.118 3.960 0.020 0.000 0.197 801 G HA3 0.146 4.118 3.960 0.020 0.000 0.197 801 G C 0.917 175.860 174.900 0.072 0.000 1.559 801 G CA -0.174 44.959 45.100 0.056 0.000 0.852 801 G HN 0.038 nan 8.290 nan 0.000 0.682 802 L N 1.892 123.133 121.223 0.029 0.000 2.187 802 L HA 0.050 4.401 4.340 0.020 0.000 0.213 802 L C -0.241 176.633 176.870 0.007 0.000 1.100 802 L CA 1.643 56.493 54.840 0.016 0.000 0.765 802 L CB -1.108 40.943 42.059 -0.012 0.000 0.904 802 L HN 0.221 nan 8.230 nan 0.000 0.437 803 P HA -0.086 nan 4.420 nan 0.000 0.219 803 P C 1.492 178.726 177.300 -0.111 0.000 1.150 803 P CA 1.560 64.614 63.100 -0.077 0.000 0.814 803 P CB 0.073 31.710 31.700 -0.104 0.000 0.787 804 A N -0.748 122.076 122.820 0.007 0.000 1.855 804 A HA -0.106 4.225 4.320 0.020 0.000 0.213 804 A C 2.174 179.960 177.584 0.337 0.000 1.195 804 A CA 2.046 54.153 52.037 0.116 0.000 0.610 804 A CB -1.856 17.267 19.000 0.205 0.000 0.837 804 A HN 0.111 nan 8.150 nan 0.000 0.444 805 T N 0.732 115.471 114.554 0.307 0.000 2.869 805 T HA -0.084 4.278 4.350 0.020 0.000 0.270 805 T C 1.952 176.769 174.700 0.195 0.000 1.082 805 T CA 1.414 63.648 62.100 0.224 0.000 1.123 805 T CB -0.359 68.585 68.868 0.126 0.000 0.856 805 T HN 0.578 nan 8.240 nan 0.000 0.499 806 A N 1.385 124.287 122.820 0.138 0.000 1.968 806 A HA 0.086 4.418 4.320 0.020 0.000 0.217 806 A C 2.116 179.827 177.584 0.211 0.000 1.169 806 A CA 0.651 52.762 52.037 0.124 0.000 0.638 806 A CB -0.503 18.523 19.000 0.044 0.000 0.812 806 A HN 0.334 nan 8.150 nan 0.000 0.446 807 L N 0.090 121.404 121.223 0.152 0.000 2.129 807 L HA -0.204 4.148 4.340 0.020 0.000 0.212 807 L C 2.645 179.591 176.870 0.126 0.000 1.087 807 L CA 1.932 56.849 54.840 0.128 0.000 0.757 807 L CB -2.091 40.052 42.059 0.139 0.000 0.896 807 L HN 0.466 nan 8.230 nan 0.000 0.434 808 G N -1.053 107.825 108.800 0.130 0.000 2.562 808 G HA2 -0.302 3.670 3.960 0.020 0.000 0.223 808 G HA3 -0.302 3.670 3.960 0.020 0.000 0.223 808 G C 1.175 175.946 174.900 -0.215 0.000 1.102 808 G CA 0.576 45.638 45.100 -0.063 0.000 0.742 808 G HN 0.449 nan 8.290 nan 0.000 0.587 809 F N 0.748 120.632 119.950 -0.109 0.000 2.750 809 F HA 0.326 4.865 4.527 0.020 0.000 0.297 809 F C 0.616 176.400 175.800 -0.027 0.000 1.138 809 F CA -1.136 56.785 58.000 -0.131 0.000 1.346 809 F CB 0.073 38.890 39.000 -0.305 0.000 0.965 809 F HN -0.152 nan 8.300 nan 0.000 0.514 810 N N 3.070 121.831 118.700 0.102 0.000 2.416 810 N HA 0.089 4.841 4.740 0.020 0.000 0.246 810 N C -2.132 173.402 175.510 0.039 0.000 1.260 810 N CA -1.042 52.049 53.050 0.067 0.000 0.897 810 N CB 0.255 38.761 38.487 0.032 0.000 1.110 810 N HN 0.035 nan 8.380 nan 0.000 0.439 811 P HA 0.262 nan 4.420 nan 0.000 0.277 811 P C -2.549 174.753 177.300 0.004 0.000 1.271 811 P CA -0.966 62.149 63.100 0.025 0.000 0.795 811 P CB -0.414 31.301 31.700 0.025 0.000 1.101 812 P HA 0.061 nan 4.420 nan 0.000 0.275 812 P C 0.077 177.374 177.300 -0.006 0.000 1.227 812 P CA 0.156 63.254 63.100 -0.004 0.000 0.781 812 P CB 0.428 32.124 31.700 -0.005 0.000 0.906 813 D N 1.705 122.102 120.400 -0.005 0.000 2.406 813 D HA -0.061 4.591 4.640 0.020 0.000 0.234 813 D C 1.250 177.543 176.300 -0.012 0.000 1.196 813 D CA 0.118 54.112 54.000 -0.009 0.000 0.881 813 D CB 0.808 41.605 40.800 -0.005 0.000 1.205 813 D HN 0.296 nan 8.370 nan 0.000 0.453 814 L N 1.597 122.810 121.223 -0.017 0.000 2.465 814 L HA -0.076 4.276 4.340 0.020 0.000 0.224 814 L C 1.177 178.036 176.870 -0.017 0.000 1.145 814 L CA 0.789 55.619 54.840 -0.016 0.000 0.834 814 L CB -0.001 42.047 42.059 -0.019 0.000 0.944 814 L HN 0.366 nan 8.230 nan 0.000 0.451 815 D N -1.040 119.348 120.400 -0.020 0.000 2.469 815 D HA 0.072 4.724 4.640 0.020 0.000 0.215 815 D C 1.882 178.170 176.300 -0.019 0.000 1.154 815 D CA 0.028 54.014 54.000 -0.023 0.000 0.832 815 D CB 0.968 41.748 40.800 -0.034 0.000 1.008 815 D HN 0.246 nan 8.370 nan 0.000 0.506 816 I N 0.501 121.063 120.570 -0.013 0.000 2.151 816 I HA -0.242 3.940 4.170 0.020 0.000 0.243 816 I C 1.124 177.233 176.117 -0.012 0.000 1.080 816 I CA 1.252 62.547 61.300 -0.008 0.000 1.339 816 I CB 0.257 38.255 38.000 -0.003 0.000 1.039 816 I HN -0.113 nan 8.210 nan 0.000 0.409 817 M N 0.063 119.656 119.600 -0.013 0.000 2.723 817 M HA 0.095 4.587 4.480 0.020 0.000 0.270 817 M C 0.139 176.431 176.300 -0.014 0.000 1.282 817 M CA 0.614 55.906 55.300 -0.013 0.000 0.995 817 M CB -0.657 31.937 32.600 -0.010 0.000 1.430 817 M HN 0.182 nan 8.290 nan 0.000 0.477 818 D N 0.472 120.862 120.400 -0.018 0.000 2.514 818 D HA 0.147 4.798 4.640 0.020 0.000 0.225 818 D C 0.439 176.723 176.300 -0.026 0.000 1.159 818 D CA 0.194 54.182 54.000 -0.020 0.000 0.823 818 D CB 1.353 42.140 40.800 -0.022 0.000 1.097 818 D HN 0.391 nan 8.370 nan 0.000 0.519 819 R N 1.269 121.753 120.500 -0.028 0.000 2.668 819 R HA 0.598 4.950 4.340 0.020 0.000 0.279 819 R C -2.626 173.656 176.300 -0.031 0.000 0.976 819 R CA -1.558 54.522 56.100 -0.033 0.000 0.978 819 R CB 0.478 30.755 30.300 -0.039 0.000 1.133 819 R HN -0.243 nan 8.270 nan 0.000 0.484 820 P HA 0.050 nan 4.420 nan 0.000 0.270 820 P C -2.315 174.962 177.300 -0.037 0.000 1.227 820 P CA -0.817 62.265 63.100 -0.030 0.000 0.788 820 P CB -0.239 31.444 31.700 -0.029 0.000 0.926 821 P HA 0.162 nan 4.420 nan 0.000 0.274 821 P C -0.038 177.221 177.300 -0.069 0.000 1.237 821 P CA -0.253 62.813 63.100 -0.056 0.000 0.793 821 P CB 0.689 32.359 31.700 -0.050 0.000 0.977 822 R N 1.769 122.204 120.500 -0.109 0.000 2.347 822 R HA 0.144 4.496 4.340 0.020 0.000 0.304 822 R C 0.187 176.420 176.300 -0.111 0.000 1.072 822 R CA -0.064 55.958 56.100 -0.130 0.000 0.980 822 R CB 0.227 30.376 30.300 -0.253 0.000 0.986 822 R HN 0.512 nan 8.270 nan 0.000 0.448 823 S N 5.051 120.710 115.700 -0.068 0.000 2.558 823 S HA 0.054 4.536 4.470 0.020 0.000 0.293 823 S C -1.575 172.986 174.600 -0.064 0.000 1.292 823 S CA -1.112 57.061 58.200 -0.045 0.000 1.063 823 S CB 0.802 63.993 63.200 -0.016 0.000 0.831 823 S HN 0.548 nan 8.310 nan 0.000 0.499 824 P HA 0.059 nan 4.420 nan 0.000 0.225 824 P C 0.358 177.647 177.300 -0.019 0.000 1.156 824 P CA 0.829 63.897 63.100 -0.053 0.000 0.787 824 P CB 0.143 31.822 31.700 -0.035 0.000 0.802 825 K N -0.146 120.253 120.400 -0.002 0.000 2.500 825 K HA 0.162 4.494 4.320 0.020 0.000 0.206 825 K C 0.346 176.964 176.600 0.031 0.000 1.034 825 K CA -0.102 56.196 56.287 0.019 0.000 1.179 825 K CB -0.051 32.461 32.500 0.020 0.000 0.884 825 K HN 0.196 nan 8.250 nan 0.000 0.493 826 E N 2.320 122.535 120.200 0.026 0.000 2.398 826 E HA 0.083 4.445 4.350 0.020 0.000 0.263 826 E C -2.125 174.525 176.600 0.083 0.000 1.046 826 E CA -2.174 54.255 56.400 0.047 0.000 0.908 826 E CB 0.251 29.970 29.700 0.032 0.000 0.963 826 E HN 0.068 nan 8.360 nan 0.000 0.431 827 P HA -0.056 nan 4.420 nan 0.000 0.265 827 P C 1.020 178.404 177.300 0.139 0.000 1.222 827 P CA -0.301 62.865 63.100 0.111 0.000 0.767 827 P CB 0.634 32.400 31.700 0.109 0.000 0.801 828 L N 5.593 126.900 121.223 0.140 0.000 2.011 828 L HA -0.174 4.178 4.340 0.020 0.000 0.225 828 L C 0.882 177.825 176.870 0.121 0.000 1.084 828 L CA 1.917 56.831 54.840 0.124 0.000 0.791 828 L CB -0.817 41.281 42.059 0.065 0.000 0.898 828 L HN 0.352 nan 8.230 nan 0.000 0.440 829 I N 0.356 121.025 120.570 0.165 0.000 2.339 829 I HA 0.176 4.358 4.170 0.020 0.000 0.290 829 I C 0.586 176.840 176.117 0.228 0.000 0.994 829 I CA -0.426 61.016 61.300 0.236 0.000 1.191 829 I CB 1.195 39.427 38.000 0.386 0.000 1.343 829 I HN 0.270 nan 8.210 nan 0.000 0.458 830 S N 4.192 120.022 115.700 0.218 0.000 2.600 830 S HA 0.222 4.704 4.470 0.020 0.000 0.265 830 S C 1.344 176.090 174.600 0.242 0.000 1.325 830 S CA -0.031 58.295 58.200 0.211 0.000 1.002 830 S CB 1.527 64.859 63.200 0.219 0.000 0.921 830 S HN 0.803 nan 8.310 nan 0.000 0.554 831 G N 0.259 109.194 108.800 0.226 0.000 2.421 831 G HA2 -0.212 3.760 3.960 0.020 0.000 0.216 831 G HA3 -0.212 3.760 3.960 0.020 0.000 0.216 831 G C 1.022 176.096 174.900 0.289 0.000 1.171 831 G CA 0.622 45.859 45.100 0.229 0.000 0.775 831 G HN 0.903 nan 8.290 nan 0.000 0.543 832 W N 1.013 122.397 121.300 0.140 0.000 2.465 832 W HA 0.138 4.810 4.660 0.020 0.000 0.268 832 W C 2.148 178.750 176.519 0.138 0.000 1.242 832 W CA 0.625 58.059 57.345 0.148 0.000 1.248 832 W CB 0.025 29.567 29.460 0.137 0.000 1.118 832 W HN 0.104 nan 8.180 nan 0.000 0.587 833 L N -0.875 120.444 121.223 0.160 0.000 2.131 833 L HA -0.136 4.216 4.340 0.020 0.000 0.206 833 L C 2.305 178.888 176.870 -0.480 0.000 1.087 833 L CA 0.879 55.567 54.840 -0.253 0.000 0.767 833 L CB -1.017 40.931 42.059 -0.184 0.000 0.917 833 L HN -0.055 nan 8.230 nan 0.000 0.441 834 F N 0.389 120.275 119.950 -0.107 0.000 2.171 834 F HA -0.300 4.239 4.527 0.020 0.000 0.300 834 F C 2.359 178.173 175.800 0.024 0.000 1.090 834 F CA 1.409 59.487 58.000 0.131 0.000 1.293 834 F CB -0.283 38.838 39.000 0.203 0.000 1.013 834 F HN -0.019 nan 8.300 nan 0.000 0.486 835 F N 1.123 121.003 119.950 -0.116 0.000 2.095 835 F HA -0.231 4.307 4.527 0.020 0.000 0.298 835 F C 2.695 178.253 175.800 -0.403 0.000 1.104 835 F CA 2.298 60.143 58.000 -0.258 0.000 1.232 835 F CB -0.660 38.127 39.000 -0.355 0.000 0.987 835 F HN -0.092 nan 8.300 nan 0.000 0.475 836 R N -1.296 118.815 120.500 -0.648 0.000 2.115 836 R HA -0.184 4.168 4.340 0.020 0.000 0.230 836 R C 2.211 178.240 176.300 -0.451 0.000 1.111 836 R CA 1.505 57.197 56.100 -0.680 0.000 0.976 836 R CB -0.592 29.255 30.300 -0.755 0.000 0.870 836 R HN 0.326 nan 8.270 nan 0.000 0.445 837 Y N 0.191 120.278 120.300 -0.354 0.000 2.165 837 Y HA -0.210 4.352 4.550 0.020 0.000 0.286 837 Y C 2.321 177.983 175.900 -0.397 0.000 1.155 837 Y CA 1.169 59.064 58.100 -0.342 0.000 1.164 837 Y CB -0.289 37.935 38.460 -0.393 0.000 0.978 837 Y HN 0.051 nan 8.280 nan 0.000 0.513 838 M N -0.805 118.590 119.600 -0.342 0.000 2.098 838 M HA -0.032 4.460 4.480 0.020 0.000 0.262 838 M C 2.502 178.617 176.300 -0.309 0.000 1.072 838 M CA 1.479 56.580 55.300 -0.332 0.000 1.133 838 M CB -1.670 30.735 32.600 -0.324 0.000 1.344 838 M HN 0.228 nan 8.290 nan 0.000 0.414 839 A N 0.481 123.006 122.820 -0.492 0.000 2.032 839 A HA -0.145 4.187 4.320 0.020 0.000 0.221 839 A C 2.150 179.605 177.584 -0.215 0.000 1.165 839 A CA 1.290 53.066 52.037 -0.435 0.000 0.645 839 A CB -0.625 17.944 19.000 -0.719 0.000 0.807 839 A HN 0.377 nan 8.150 nan 0.000 0.453 840 I N -1.046 119.411 120.570 -0.188 0.000 2.364 840 I HA -0.047 4.135 4.170 0.020 0.000 0.241 840 I C 2.765 178.869 176.117 -0.020 0.000 1.082 840 I CA 1.365 62.617 61.300 -0.081 0.000 1.401 840 I CB -1.883 36.071 38.000 -0.078 0.000 1.126 840 I HN 0.338 nan 8.210 nan 0.000 0.429 841 G N 1.000 109.756 108.800 -0.074 0.000 2.469 841 G HA2 -0.244 3.728 3.960 0.020 0.000 0.220 841 G HA3 -0.244 3.728 3.960 0.020 0.000 0.220 841 G C 1.684 176.555 174.900 -0.048 0.000 1.136 841 G CA 1.082 46.136 45.100 -0.077 0.000 0.759 841 G HN 0.489 nan 8.290 nan 0.000 0.562 842 G N -0.140 108.630 108.800 -0.049 0.000 2.433 842 G HA2 -0.272 3.700 3.960 0.020 0.000 0.216 842 G HA3 -0.272 3.700 3.960 0.020 0.000 0.216 842 G C 1.660 176.567 174.900 0.011 0.000 1.186 842 G CA 1.068 46.153 45.100 -0.024 0.000 0.779 842 G HN 0.480 nan 8.290 nan 0.000 0.543 843 Y N 0.861 121.118 120.300 -0.072 0.000 2.333 843 Y HA -0.030 4.532 4.550 0.020 0.000 0.290 843 Y C 2.607 178.484 175.900 -0.039 0.000 1.144 843 Y CA 1.219 59.290 58.100 -0.048 0.000 1.228 843 Y CB 0.124 38.553 38.460 -0.052 0.000 0.985 843 Y HN 0.045 nan 8.280 nan 0.000 0.542 844 V N -0.403 119.548 119.914 0.062 0.000 2.488 844 V HA -0.127 4.005 4.120 0.020 0.000 0.246 844 V C 2.556 178.598 176.094 -0.087 0.000 1.046 844 V CA 1.636 63.931 62.300 -0.009 0.000 1.053 844 V CB -1.196 30.635 31.823 0.014 0.000 0.679 844 V HN 0.581 nan 8.190 nan 0.000 0.458 845 G N -0.301 108.456 108.800 -0.072 0.000 2.432 845 G HA2 -0.161 3.810 3.960 0.020 0.000 0.219 845 G HA3 -0.161 3.810 3.960 0.020 0.000 0.219 845 G C 1.619 176.474 174.900 -0.075 0.000 1.135 845 G CA 1.176 46.237 45.100 -0.064 0.000 0.767 845 G HN 0.594 nan 8.290 nan 0.000 0.550 846 A N 0.683 123.428 122.820 -0.125 0.000 1.924 846 A HA 0.598 4.930 4.320 0.020 0.000 0.211 846 A C 2.670 180.148 177.584 -0.176 0.000 1.198 846 A CA 1.420 53.382 52.037 -0.126 0.000 0.657 846 A CB -0.545 18.379 19.000 -0.126 0.000 0.852 846 A HN 0.657 nan 8.150 nan 0.000 0.454 847 A N -1.032 121.587 122.820 -0.335 0.000 2.125 847 A HA -0.077 4.255 4.320 0.020 0.000 0.219 847 A C 2.195 179.684 177.584 -0.157 0.000 1.156 847 A CA 2.198 54.039 52.037 -0.326 0.000 0.671 847 A CB -0.928 17.739 19.000 -0.556 0.000 0.794 847 A HN 0.443 nan 8.150 nan 0.000 0.459 848 T N -1.724 112.759 114.554 -0.118 0.000 3.014 848 T HA 0.016 4.378 4.350 0.020 0.000 0.263 848 T C 1.665 176.351 174.700 -0.024 0.000 1.078 848 T CA 1.449 63.512 62.100 -0.061 0.000 1.135 848 T CB -0.197 68.640 68.868 -0.052 0.000 0.895 848 T HN 0.110 nan 8.240 nan 0.000 0.480 849 V N 0.861 120.765 119.914 -0.017 0.000 2.446 849 V HA 0.164 4.296 4.120 0.020 0.000 0.244 849 V C 2.959 179.089 176.094 0.060 0.000 1.039 849 V CA 1.608 63.924 62.300 0.027 0.000 1.045 849 V CB -1.146 30.693 31.823 0.027 0.000 0.681 849 V HN 0.556 nan 8.190 nan 0.000 0.459 850 G N -0.237 108.585 108.800 0.037 0.000 2.470 850 G HA2 -0.149 3.823 3.960 0.020 0.000 0.220 850 G HA3 -0.149 3.823 3.960 0.020 0.000 0.220 850 G C 1.654 176.645 174.900 0.152 0.000 1.121 850 G CA 1.068 46.219 45.100 0.084 0.000 0.766 850 G HN 0.580 nan 8.290 nan 0.000 0.553 851 A N 1.056 123.934 122.820 0.096 0.000 1.872 851 A HA 0.417 4.749 4.320 0.020 0.000 0.214 851 A C 2.788 180.521 177.584 0.248 0.000 1.187 851 A CA 1.885 54.000 52.037 0.130 0.000 0.614 851 A CB -0.696 18.306 19.000 0.005 0.000 0.826 851 A HN 0.644 nan 8.150 nan 0.000 0.442 852 A N -0.042 122.867 122.820 0.148 0.000 1.930 852 A HA 0.216 4.548 4.320 0.020 0.000 0.217 852 A C 2.482 180.193 177.584 0.213 0.000 1.175 852 A CA 1.927 54.030 52.037 0.109 0.000 0.627 852 A CB -0.999 18.045 19.000 0.073 0.000 0.815 852 A HN 0.972 nan 8.150 nan 0.000 0.443 853 A N -0.955 122.028 122.820 0.271 0.000 1.851 853 A HA -0.221 4.111 4.320 0.020 0.000 0.216 853 A C 2.032 179.763 177.584 0.245 0.000 1.195 853 A CA 1.733 53.946 52.037 0.293 0.000 0.622 853 A CB -1.245 17.863 19.000 0.181 0.000 0.831 853 A HN 0.940 nan 8.150 nan 0.000 0.444 854 W N -0.045 121.297 121.300 0.069 0.000 2.325 854 W HA -0.246 4.426 4.660 0.020 0.000 0.299 854 W C 2.165 178.707 176.519 0.038 0.000 1.215 854 W CA 2.076 59.453 57.345 0.054 0.000 1.244 854 W CB -0.365 29.166 29.460 0.118 0.000 1.140 854 W HN 0.578 nan 8.180 nan 0.000 0.523 855 W N 0.617 121.901 121.300 -0.027 0.000 2.358 855 W HA -0.272 4.399 4.660 0.020 0.000 0.303 855 W C 1.643 177.895 176.519 -0.445 0.000 1.208 855 W CA 1.812 58.919 57.345 -0.397 0.000 1.274 855 W CB -1.355 27.945 29.460 -0.265 0.000 1.138 855 W HN -0.026 nan 8.180 nan 0.000 0.515 856 F N 0.584 120.370 119.950 -0.274 0.000 2.102 856 F HA -0.224 4.315 4.527 0.020 0.000 0.298 856 F C 2.676 178.183 175.800 -0.488 0.000 1.105 856 F CA 2.188 59.974 58.000 -0.357 0.000 1.239 856 F CB -1.093 37.823 39.000 -0.140 0.000 0.991 856 F HN -0.190 nan 8.300 nan 0.000 0.474 857 M N -1.771 117.638 119.600 -0.319 0.000 2.068 857 M HA -0.065 4.427 4.480 0.020 0.000 0.220 857 M C 1.754 177.670 176.300 -0.640 0.000 1.246 857 M CA 1.045 56.024 55.300 -0.535 0.000 1.126 857 M CB -0.987 31.165 32.600 -0.747 0.000 1.088 857 M HN -0.134 nan 8.290 nan 0.000 0.435 858 Y N 0.778 120.755 120.300 -0.538 0.000 2.680 858 Y HA 0.209 4.771 4.550 0.020 0.000 0.303 858 Y C 1.010 176.394 175.900 -0.861 0.000 1.166 858 Y CA -0.451 57.313 58.100 -0.560 0.000 1.344 858 Y CB -1.677 36.648 38.460 -0.225 0.000 1.002 858 Y HN 0.197 nan 8.280 nan 0.000 0.537 859 A N 0.762 122.881 122.820 -1.168 0.000 2.410 859 A HA 0.106 4.438 4.320 0.020 0.000 0.292 859 A C 1.195 178.418 177.584 -0.603 0.000 1.232 859 A CA -0.365 50.999 52.037 -1.122 0.000 0.893 859 A CB -0.107 18.065 19.000 -1.381 0.000 1.131 859 A HN 0.530 nan 8.150 nan 0.000 0.530 860 E N 1.684 121.704 120.200 -0.300 0.000 2.396 860 E HA -0.189 4.173 4.350 0.020 0.000 0.200 860 E C 0.746 177.242 176.600 -0.174 0.000 1.023 860 E CA 1.244 57.540 56.400 -0.174 0.000 0.857 860 E CB 0.207 29.875 29.700 -0.052 0.000 0.775 860 E HN 0.941 nan 8.360 nan 0.000 0.525 861 D N -0.282 119.988 120.400 -0.217 0.000 2.379 861 D HA 0.007 4.659 4.640 0.020 0.000 0.208 861 D C 0.904 177.018 176.300 -0.310 0.000 1.065 861 D CA 0.081 53.993 54.000 -0.147 0.000 0.848 861 D CB 0.282 41.096 40.800 0.023 0.000 0.949 861 D HN 0.001 nan 8.370 nan 0.000 0.509 862 G N 1.467 109.827 108.800 -0.733 0.000 2.557 862 G HA2 0.467 4.439 3.960 0.020 0.000 0.302 862 G HA3 0.467 4.439 3.960 0.020 0.000 0.302 862 G C -2.130 172.456 174.900 -0.523 0.000 1.311 862 G CA -0.929 43.586 45.100 -0.975 0.000 1.030 862 G HN -0.027 nan 8.290 nan 0.000 0.509 863 P HA 0.191 nan 4.420 nan 0.000 0.286 863 P C 0.201 177.342 177.300 -0.265 0.000 1.278 863 P CA 0.286 63.261 63.100 -0.207 0.000 0.785 863 P CB 0.415 32.081 31.700 -0.057 0.000 1.269 864 G N -1.285 107.406 108.800 -0.183 0.000 4.632 864 G HA2 0.254 4.226 3.960 0.020 0.000 0.244 864 G HA3 0.254 4.226 3.960 0.020 0.000 0.244 864 G C 0.348 175.136 174.900 -0.187 0.000 1.070 864 G CA -0.242 44.731 45.100 -0.212 0.000 0.791 864 G HN 0.236 nan 8.290 nan 0.000 0.544 865 V N 1.344 121.163 119.914 -0.160 0.000 3.504 865 V HA -0.053 4.078 4.120 0.020 0.000 0.273 865 V C 1.782 177.755 176.094 -0.202 0.000 1.228 865 V CA 1.358 63.586 62.300 -0.120 0.000 1.189 865 V CB -1.904 29.885 31.823 -0.056 0.000 0.881 865 V HN 0.674 nan 8.190 nan 0.000 0.529 866 T N -0.191 114.167 114.554 -0.327 0.000 1.122 866 T HA -0.287 4.075 4.350 0.020 0.000 0.700 866 T C 0.148 174.545 174.700 -0.505 0.000 0.976 866 T CA 1.259 63.027 62.100 -0.553 0.000 3.620 866 T CB -0.436 68.007 68.868 -0.708 0.000 2.073 866 T HN 0.580 nan 8.240 nan 0.000 0.393 867 Y N 0.745 120.866 120.300 -0.297 0.000 2.914 867 Y HA 0.116 4.678 4.550 0.020 0.000 0.348 867 Y C 1.945 177.494 175.900 -0.584 0.000 1.278 867 Y CA 0.264 58.061 58.100 -0.505 0.000 1.491 867 Y CB -0.324 37.735 38.460 -0.668 0.000 1.334 867 Y HN 0.886 nan 8.280 nan 0.000 0.650 868 H N -1.301 117.824 119.070 0.093 0.000 4.059 868 H HA -0.308 4.260 4.556 0.020 0.000 0.139 868 H C 1.247 176.528 175.328 -0.078 0.000 0.756 868 H CA 0.946 56.986 56.048 -0.013 0.000 1.257 868 H CB -1.293 28.451 29.762 -0.031 0.000 0.775 868 H HN 0.918 nan 8.280 nan 0.000 0.511 869 Q N 0.785 120.572 119.800 -0.023 0.000 2.460 869 Q HA -0.226 4.126 4.340 0.020 0.000 0.248 869 Q C 0.167 176.149 176.000 -0.031 0.000 0.847 869 Q CA 1.005 56.769 55.803 -0.064 0.000 1.214 869 Q CB -1.461 27.241 28.738 -0.059 0.000 1.523 869 Q HN 0.654 nan 8.270 nan 0.000 0.602 870 L N -0.691 120.533 121.223 0.001 0.000 3.737 870 L HA -0.392 3.960 4.340 0.020 0.000 0.418 870 L C 0.882 177.681 176.870 -0.118 0.000 1.216 870 L CA 1.351 56.187 54.840 -0.008 0.000 0.915 870 L CB -2.872 39.195 42.059 0.014 0.000 1.834 870 L HN 0.736 nan 8.230 nan 0.000 0.943 871 T N -4.456 110.001 114.554 -0.161 0.000 13.332 871 T HA -0.252 4.110 4.350 0.020 0.000 0.417 871 T C 0.482 174.861 174.700 -0.535 0.000 1.456 871 T CA 1.725 63.528 62.100 -0.495 0.000 2.379 871 T CB -0.642 67.744 68.868 -0.804 0.000 2.783 871 T HN 0.659 nan 8.240 nan 0.000 0.576 872 H N -1.173 117.934 119.070 0.062 0.000 3.199 872 H HA 0.671 5.239 4.556 0.020 0.000 0.292 872 H C 0.329 175.819 175.328 0.270 0.000 1.600 872 H CA -0.326 55.808 56.048 0.144 0.000 1.235 872 H CB 0.354 30.198 29.762 0.136 0.000 1.839 872 H HN 0.345 nan 8.280 nan 0.000 0.623 873 F N -0.043 120.115 119.950 0.347 0.000 2.746 873 F HA 0.313 4.852 4.527 0.020 0.000 0.313 873 F C 0.686 176.662 175.800 0.293 0.000 1.095 873 F CA -0.093 58.189 58.000 0.471 0.000 1.224 873 F CB 0.735 39.961 39.000 0.376 0.000 1.060 873 F HN 0.142 nan 8.300 nan 0.000 0.584 874 M N 3.170 122.663 119.600 -0.179 0.000 3.593 874 M HA 0.141 4.633 4.480 0.020 0.000 0.204 874 M C -0.672 175.476 176.300 -0.253 0.000 1.569 874 M CA 1.005 56.068 55.300 -0.396 0.000 1.694 874 M CB -1.190 31.400 32.600 -0.017 0.000 1.149 874 M HN 0.437 nan 8.290 nan 0.000 0.552 875 Q N 0.615 120.167 119.800 -0.414 0.000 2.805 875 Q HA 0.098 4.450 4.340 0.020 0.000 0.360 875 Q C 0.724 176.564 176.000 -0.267 0.000 0.832 875 Q CA -0.285 55.414 55.803 -0.174 0.000 1.020 875 Q CB 1.015 29.643 28.738 -0.184 0.000 1.444 875 Q HN 0.719 nan 8.270 nan 0.000 0.391 876 C N 0.520 119.692 119.300 -0.212 0.000 6.442 876 C HA -0.034 4.438 4.460 0.020 0.000 0.290 876 C C 1.431 176.087 174.990 -0.556 0.000 1.204 876 C CA 1.007 59.790 59.018 -0.392 0.000 1.939 876 C CB -0.222 27.332 27.740 -0.309 0.000 1.927 876 C HN 0.541 nan 8.230 nan 0.000 0.361 877 T N 1.757 115.702 114.554 -1.015 0.000 2.856 877 T HA 0.036 4.398 4.350 0.020 0.000 0.329 877 T C -0.143 174.294 174.700 -0.438 0.000 1.094 877 T CA 0.114 61.795 62.100 -0.698 0.000 1.112 877 T CB -0.044 68.416 68.868 -0.679 0.000 1.009 877 T HN 0.546 nan 8.240 nan 0.000 0.550 878 E N 2.262 122.311 120.200 -0.251 0.000 2.905 878 E HA -0.120 4.242 4.350 0.020 0.000 0.240 878 E C 0.118 176.628 176.600 -0.149 0.000 0.990 878 E CA 0.185 56.487 56.400 -0.164 0.000 0.954 878 E CB -0.063 29.560 29.700 -0.129 0.000 0.908 878 E HN 0.556 nan 8.360 nan 0.000 0.532 879 D N 0.858 121.190 120.400 -0.114 0.000 3.076 879 D HA -0.205 4.447 4.640 0.020 0.000 0.218 879 D C 0.065 176.305 176.300 -0.100 0.000 1.156 879 D CA 0.866 54.782 54.000 -0.140 0.000 0.921 879 D CB -1.637 38.862 40.800 -0.502 0.000 1.113 879 D HN 0.659 nan 8.370 nan 0.000 0.418 880 H N 0.046 119.019 119.070 -0.161 0.000 3.077 880 H HA -0.043 4.524 4.556 0.020 0.000 0.361 880 H C -1.740 173.534 175.328 -0.089 0.000 1.195 880 H CA -0.366 55.598 56.048 -0.139 0.000 1.389 880 H CB 0.206 29.879 29.762 -0.147 0.000 1.323 880 H HN -0.160 nan 8.280 nan 0.000 0.606 881 P HA -0.237 nan 4.420 nan 0.000 0.025 881 P C -0.554 176.625 177.300 -0.203 0.000 0.500 881 P CA 1.019 64.028 63.100 -0.151 0.000 1.034 881 P CB -1.283 30.413 31.700 -0.007 0.000 1.864 882 H N 1.200 120.073 119.070 -0.328 0.000 5.295 882 H HA -0.130 4.438 4.556 0.020 0.000 0.144 882 H C -0.001 175.081 175.328 -0.410 0.000 0.601 882 H CA -0.342 55.534 56.048 -0.286 0.000 1.316 882 H CB -0.715 28.908 29.762 -0.232 0.000 1.482 882 H HN 0.203 nan 8.280 nan 0.000 0.981 883 F N 2.276 122.255 119.950 0.048 0.000 2.461 883 F HA 0.114 4.653 4.527 0.020 0.000 0.321 883 F C 0.428 176.200 175.800 -0.047 0.000 1.203 883 F CA -0.622 57.366 58.000 -0.020 0.000 1.238 883 F CB 0.274 39.272 39.000 -0.003 0.000 1.528 883 F HN 0.366 nan 8.300 nan 0.000 0.554 884 E N 1.141 121.338 120.200 -0.004 0.000 2.260 884 E HA -0.166 4.196 4.350 0.020 0.000 0.204 884 E C 0.609 177.213 176.600 0.006 0.000 1.319 884 E CA 0.523 56.897 56.400 -0.042 0.000 0.679 884 E CB -0.889 28.811 29.700 -0.000 0.000 1.158 884 E HN 0.756 nan 8.360 nan 0.000 0.376 885 G N 1.657 110.484 108.800 0.045 0.000 3.197 885 G HA2 0.203 4.175 3.960 0.020 0.000 0.257 885 G HA3 0.203 4.175 3.960 0.020 0.000 0.257 885 G C 1.008 175.936 174.900 0.047 0.000 0.835 885 G CA -0.034 45.123 45.100 0.095 0.000 2.001 885 G HN 0.285 nan 8.290 nan 0.000 0.625 886 L N -0.518 120.709 121.223 0.006 0.000 2.529 886 L HA 0.342 4.693 4.340 0.020 0.000 0.223 886 L C 0.143 177.007 176.870 -0.009 0.000 1.113 886 L CA 0.553 55.390 54.840 -0.004 0.000 0.861 886 L CB 0.222 42.271 42.059 -0.017 0.000 1.012 886 L HN 0.148 nan 8.230 nan 0.000 0.461 887 D N -2.557 117.832 120.400 -0.017 0.000 2.450 887 D HA 0.318 4.970 4.640 0.020 0.000 0.238 887 D C 0.227 176.486 176.300 -0.067 0.000 1.020 887 D CA 0.163 54.148 54.000 -0.024 0.000 1.010 887 D CB 1.796 42.598 40.800 0.003 0.000 1.342 887 D HN 0.131 nan 8.370 nan 0.000 0.530 888 C N -1.040 118.220 119.300 -0.067 0.000 3.814 888 C HA 0.335 4.807 4.460 0.020 0.000 0.247 888 C C 1.024 175.911 174.990 -0.172 0.000 1.881 888 C CA -0.111 58.844 59.018 -0.104 0.000 1.457 888 C CB -0.163 27.540 27.740 -0.061 0.000 1.670 888 C HN 0.706 nan 8.230 nan 0.000 0.727 889 E N 1.235 121.383 120.200 -0.088 0.000 4.017 889 E HA 0.301 4.663 4.350 0.020 0.000 0.205 889 E C 0.805 177.484 176.600 0.132 0.000 1.054 889 E CA -0.101 56.262 56.400 -0.062 0.000 1.398 889 E CB 0.179 29.862 29.700 -0.028 0.000 1.164 889 E HN 0.784 nan 8.360 nan 0.000 0.445 890 I N -1.516 119.191 120.570 0.229 0.000 3.010 890 I HA -0.043 4.139 4.170 0.020 0.000 0.271 890 I C 0.739 177.299 176.117 0.738 0.000 1.293 890 I CA 0.691 62.264 61.300 0.455 0.000 1.452 890 I CB -0.641 37.654 38.000 0.492 0.000 1.082 890 I HN 0.154 nan 8.210 nan 0.000 0.484 891 F N 2.398 122.492 119.950 0.239 0.000 2.659 891 F HA 0.233 4.772 4.527 0.020 0.000 0.360 891 F C 1.119 177.042 175.800 0.205 0.000 1.218 891 F CA -0.348 57.811 58.000 0.266 0.000 1.317 891 F CB 0.038 39.184 39.000 0.244 0.000 1.697 891 F HN 0.189 nan 8.300 nan 0.000 0.637 892 E N 0.868 121.279 120.200 0.351 0.000 1.569 892 E HA 0.107 4.469 4.350 0.020 0.000 0.189 892 E C 0.167 176.844 176.600 0.129 0.000 0.816 892 E CA 0.166 56.682 56.400 0.192 0.000 1.107 892 E CB -0.518 29.266 29.700 0.141 0.000 3.673 892 E HN 0.247 nan 8.360 nan 0.000 0.629 893 A N 2.192 125.114 122.820 0.171 0.000 2.583 893 A HA 0.194 4.526 4.320 0.020 0.000 0.249 893 A C -1.599 175.951 177.584 -0.057 0.000 1.035 893 A CA 0.064 52.145 52.037 0.074 0.000 0.777 893 A CB 0.112 19.205 19.000 0.156 0.000 0.942 893 A HN 0.167 nan 8.150 nan 0.000 0.516 894 P HA -0.069 nan 4.420 nan 0.000 0.230 894 P C 0.878 177.990 177.300 -0.314 0.000 1.158 894 P CA 1.135 64.138 63.100 -0.163 0.000 0.769 894 P CB 0.300 31.918 31.700 -0.137 0.000 0.807 895 E N 0.361 120.269 120.200 -0.486 0.000 2.028 895 E HA -0.118 4.244 4.350 0.020 0.000 0.191 895 E C -0.492 175.470 176.600 -1.063 0.000 0.988 895 E CA 1.529 57.389 56.400 -0.899 0.000 0.799 895 E CB -1.793 27.061 29.700 -1.411 0.000 0.755 895 E HN 0.387 nan 8.360 nan 0.000 0.447 896 P HA -0.190 nan 4.420 nan 0.000 0.219 896 P C 1.121 178.184 177.300 -0.395 0.000 1.146 896 P CA 1.539 64.141 63.100 -0.831 0.000 0.808 896 P CB 0.040 31.235 31.700 -0.842 0.000 0.779 897 M N -0.638 118.770 119.600 -0.320 0.000 2.216 897 M HA -0.050 4.441 4.480 0.020 0.000 0.264 897 M C 2.420 178.617 176.300 -0.171 0.000 1.080 897 M CA 2.261 57.459 55.300 -0.170 0.000 1.153 897 M CB -1.198 31.340 32.600 -0.104 0.000 1.356 897 M HN 0.000 nan 8.290 nan 0.000 0.432 898 T N -0.974 113.438 114.554 -0.237 0.000 2.915 898 T HA -0.156 4.205 4.350 0.020 0.000 0.269 898 T C 1.700 176.260 174.700 -0.233 0.000 1.071 898 T CA 1.032 63.001 62.100 -0.218 0.000 1.132 898 T CB -0.274 68.422 68.868 -0.287 0.000 0.878 898 T HN 0.121 nan 8.240 nan 0.000 0.479 899 M N 2.512 121.936 119.600 -0.294 0.000 2.082 899 M HA 0.062 4.554 4.480 0.020 0.000 0.258 899 M C 2.439 178.647 176.300 -0.153 0.000 1.069 899 M CA 1.602 56.761 55.300 -0.235 0.000 1.102 899 M CB -1.253 31.239 32.600 -0.180 0.000 1.336 899 M HN 0.443 nan 8.290 nan 0.000 0.404 900 A N -0.938 121.817 122.820 -0.109 0.000 1.874 900 A HA -0.054 4.278 4.320 0.020 0.000 0.214 900 A C 2.107 179.664 177.584 -0.046 0.000 1.189 900 A CA 1.424 53.424 52.037 -0.061 0.000 0.615 900 A CB -1.162 17.817 19.000 -0.035 0.000 0.830 900 A HN 0.521 nan 8.150 nan 0.000 0.443 901 L N -0.062 121.146 121.223 -0.024 0.000 2.129 901 L HA -0.153 4.199 4.340 0.020 0.000 0.212 901 L C 2.523 179.406 176.870 0.022 0.000 1.087 901 L CA 2.448 57.313 54.840 0.042 0.000 0.757 901 L CB -0.519 41.599 42.059 0.098 0.000 0.896 901 L HN 0.340 nan 8.230 nan 0.000 0.434 902 S N -1.934 113.750 115.700 -0.027 0.000 2.395 902 S HA -0.077 4.405 4.470 0.020 0.000 0.225 902 S C 1.854 176.394 174.600 -0.100 0.000 1.027 902 S CA 1.091 59.240 58.200 -0.084 0.000 0.965 902 S CB -0.170 62.855 63.200 -0.292 0.000 0.812 902 S HN 0.312 nan 8.310 nan 0.000 0.482 903 V N 1.914 121.776 119.914 -0.086 0.000 2.379 903 V HA -0.073 4.059 4.120 0.020 0.000 0.245 903 V C 2.349 178.438 176.094 -0.008 0.000 1.044 903 V CA 1.197 63.477 62.300 -0.033 0.000 1.036 903 V CB -0.636 31.155 31.823 -0.054 0.000 0.664 903 V HN 0.358 nan 8.190 nan 0.000 0.453 904 L N 0.012 121.220 121.223 -0.026 0.000 1.971 904 L HA -0.173 4.179 4.340 0.020 0.000 0.215 904 L C 2.471 179.330 176.870 -0.018 0.000 1.072 904 L CA 1.894 56.721 54.840 -0.022 0.000 0.758 904 L CB -0.811 41.236 42.059 -0.020 0.000 0.889 904 L HN 0.132 nan 8.230 nan 0.000 0.433 905 V N -0.992 118.894 119.914 -0.046 0.000 2.250 905 V HA -0.399 3.733 4.120 0.020 0.000 0.250 905 V C 2.462 178.563 176.094 0.012 0.000 1.060 905 V CA 2.438 64.702 62.300 -0.060 0.000 1.030 905 V CB -1.028 30.666 31.823 -0.214 0.000 0.643 905 V HN 0.537 nan 8.190 nan 0.000 0.445 906 T N -0.458 114.129 114.554 0.055 0.000 2.737 906 T HA -0.114 4.248 4.350 0.020 0.000 0.265 906 T C 1.850 176.608 174.700 0.096 0.000 1.038 906 T CA 1.817 63.989 62.100 0.119 0.000 1.144 906 T CB -0.273 68.730 68.868 0.224 0.000 0.866 906 T HN 0.439 nan 8.240 nan 0.000 0.434 907 I N 0.590 121.209 120.570 0.081 0.000 2.493 907 I HA -0.108 4.074 4.170 0.020 0.000 0.254 907 I C 2.301 178.471 176.117 0.088 0.000 1.160 907 I CA 1.366 62.721 61.300 0.091 0.000 1.445 907 I CB -0.067 37.990 38.000 0.094 0.000 1.086 907 I HN 0.308 nan 8.210 nan 0.000 0.433 908 E N 0.164 120.408 120.200 0.073 0.000 2.051 908 E HA -0.218 4.144 4.350 0.020 0.000 0.189 908 E C 1.915 178.649 176.600 0.223 0.000 0.979 908 E CA 1.037 57.502 56.400 0.108 0.000 0.803 908 E CB -0.110 29.611 29.700 0.034 0.000 0.761 908 E HN 0.357 nan 8.360 nan 0.000 0.451 909 M N 0.112 119.794 119.600 0.137 0.000 2.706 909 M HA -0.088 4.403 4.480 0.020 0.000 0.251 909 M C 1.465 177.806 176.300 0.069 0.000 1.070 909 M CA 0.703 56.059 55.300 0.093 0.000 1.073 909 M CB -0.081 32.552 32.600 0.054 0.000 1.449 909 M HN 0.129 nan 8.290 nan 0.000 0.531 910 C N -0.026 119.330 119.300 0.094 0.000 2.469 910 C HA 0.117 4.589 4.460 0.020 0.000 0.309 910 C C 2.244 177.275 174.990 0.069 0.000 1.385 910 C CA 0.562 59.620 59.018 0.067 0.000 1.890 910 C CB -0.602 27.179 27.740 0.067 0.000 2.245 910 C HN 0.680 nan 8.230 nan 0.000 0.530 911 N N 2.055 120.823 118.700 0.114 0.000 2.521 911 N HA 0.035 4.787 4.740 0.020 0.000 0.188 911 N C 1.179 176.794 175.510 0.174 0.000 1.146 911 N CA 1.188 54.310 53.050 0.119 0.000 0.893 911 N CB -0.242 38.307 38.487 0.104 0.000 0.975 911 N HN 0.472 nan 8.380 nan 0.000 0.451 912 A N 0.601 123.502 122.820 0.135 0.000 2.067 912 A HA 0.187 4.519 4.320 0.020 0.000 0.217 912 A C 2.200 179.712 177.584 -0.120 0.000 1.156 912 A CA 0.164 52.092 52.037 -0.181 0.000 0.683 912 A CB -0.398 18.219 19.000 -0.638 0.000 0.808 912 A HN 0.278 nan 8.150 nan 0.000 0.455 913 L N -0.206 120.988 121.223 -0.048 0.000 2.478 913 L HA -0.043 4.309 4.340 0.020 0.000 0.223 913 L C 1.494 178.345 176.870 -0.033 0.000 1.140 913 L CA 0.359 55.171 54.840 -0.047 0.000 0.842 913 L CB -0.322 41.718 42.059 -0.030 0.000 0.953 913 L HN 0.299 nan 8.230 nan 0.000 0.452 914 N N -0.981 117.718 118.700 -0.002 0.000 2.422 914 N HA -0.015 4.737 4.740 0.020 0.000 0.181 914 N C 1.022 176.545 175.510 0.022 0.000 1.080 914 N CA 0.435 53.493 53.050 0.013 0.000 0.893 914 N CB 0.434 38.940 38.487 0.032 0.000 0.973 914 N HN 0.054 nan 8.380 nan 0.000 0.456 915 S N 0.598 116.305 115.700 0.011 0.000 2.552 915 S HA 0.302 4.784 4.470 0.020 0.000 0.246 915 S C 1.611 176.208 174.600 -0.005 0.000 1.019 915 S CA -0.270 57.942 58.200 0.021 0.000 1.045 915 S CB 0.136 63.354 63.200 0.031 0.000 0.784 915 S HN 0.230 nan 8.310 nan 0.000 0.453 916 L N 0.598 121.808 121.223 -0.020 0.000 2.131 916 L HA 0.135 4.487 4.340 0.020 0.000 0.206 916 L C 1.202 178.064 176.870 -0.013 0.000 1.087 916 L CA 0.654 55.477 54.840 -0.028 0.000 0.767 916 L CB 0.063 42.084 42.059 -0.063 0.000 0.917 916 L HN 0.355 nan 8.230 nan 0.000 0.441 917 S N -1.796 113.901 115.700 -0.005 0.000 2.533 917 S HA 0.170 4.652 4.470 0.020 0.000 0.271 917 S C 0.315 174.928 174.600 0.022 0.000 1.143 917 S CA -0.697 57.504 58.200 0.002 0.000 0.891 917 S CB 1.931 65.123 63.200 -0.014 0.000 1.105 917 S HN 0.177 nan 8.310 nan 0.000 0.468 918 E N 2.930 123.148 120.200 0.029 0.000 2.045 918 E HA -0.170 4.192 4.350 0.020 0.000 0.212 918 E C 0.477 177.108 176.600 0.052 0.000 1.039 918 E CA 2.528 58.957 56.400 0.047 0.000 0.860 918 E CB -0.006 29.715 29.700 0.037 0.000 0.776 918 E HN 0.685 nan 8.360 nan 0.000 0.467 919 N N -0.350 118.360 118.700 0.017 0.000 2.305 919 N HA 0.089 4.840 4.740 0.020 0.000 0.248 919 N C -1.047 174.459 175.510 -0.007 0.000 1.290 919 N CA -0.064 52.989 53.050 0.005 0.000 0.873 919 N CB 1.048 39.500 38.487 -0.057 0.000 1.261 919 N HN 0.103 nan 8.380 nan 0.000 0.504 920 Q N 0.451 120.249 119.800 -0.004 0.000 2.256 920 Q HA 0.281 4.633 4.340 0.020 0.000 0.257 920 Q C -0.043 175.954 176.000 -0.005 0.000 0.936 920 Q CA -0.211 55.584 55.803 -0.013 0.000 0.903 920 Q CB 2.475 31.197 28.738 -0.027 0.000 1.263 920 Q HN 0.038 nan 8.270 nan 0.000 0.440 921 S N 1.183 116.885 115.700 0.003 0.000 2.585 921 S HA 0.100 4.582 4.470 0.020 0.000 0.273 921 S C 1.149 175.729 174.600 -0.034 0.000 1.339 921 S CA -0.436 57.768 58.200 0.007 0.000 1.028 921 S CB 0.385 63.606 63.200 0.035 0.000 0.906 921 S HN 0.513 nan 8.310 nan 0.000 0.528 922 L N 4.360 125.555 121.223 -0.046 0.000 2.549 922 L HA -0.038 4.314 4.340 0.020 0.000 0.229 922 L C 2.294 179.100 176.870 -0.106 0.000 1.158 922 L CA 1.150 55.927 54.840 -0.104 0.000 0.842 922 L CB -0.780 41.221 42.059 -0.098 0.000 0.952 922 L HN 0.839 nan 8.230 nan 0.000 0.452 923 M N -2.880 116.696 119.600 -0.041 0.000 2.319 923 M HA -0.054 4.438 4.480 0.020 0.000 0.265 923 M C 2.023 178.309 176.300 -0.023 0.000 1.068 923 M CA 1.530 56.823 55.300 -0.012 0.000 1.118 923 M CB -0.131 32.481 32.600 0.020 0.000 1.395 923 M HN -0.010 nan 8.290 nan 0.000 0.435 924 R N 0.424 120.898 120.500 -0.043 0.000 2.142 924 R HA 0.360 4.712 4.340 0.020 0.000 0.204 924 R C 0.463 176.711 176.300 -0.087 0.000 1.059 924 R CA 0.603 56.678 56.100 -0.042 0.000 1.055 924 R CB 0.321 30.605 30.300 -0.027 0.000 0.976 924 R HN 0.413 nan 8.270 nan 0.000 0.483 925 M N 3.443 122.971 119.600 -0.120 0.000 2.158 925 M HA 0.328 4.820 4.480 0.020 0.000 0.326 925 M C -2.400 173.726 176.300 -0.290 0.000 1.014 925 M CA -1.844 53.350 55.300 -0.176 0.000 0.961 925 M CB 1.573 34.104 32.600 -0.115 0.000 1.327 925 M HN -0.189 nan 8.290 nan 0.000 0.393 926 P HA 0.245 nan 4.420 nan 0.000 0.274 926 P C -2.311 174.471 177.300 -0.863 0.000 1.256 926 P CA -0.930 61.619 63.100 -0.917 0.000 0.795 926 P CB 0.093 30.676 31.700 -1.861 0.000 1.038 927 P HA -0.111 nan 4.420 nan 0.000 0.217 927 P C 1.201 178.393 177.300 -0.181 0.000 1.150 927 P CA 1.582 64.505 63.100 -0.296 0.000 0.832 927 P CB -0.565 31.105 31.700 -0.050 0.000 0.787 928 W N 0.130 121.417 121.300 -0.021 0.000 2.721 928 W HA -0.008 4.664 4.660 0.020 0.000 0.245 928 W C 1.545 178.056 176.519 -0.014 0.000 1.276 928 W CA 0.394 57.721 57.345 -0.030 0.000 1.342 928 W CB -2.056 27.382 29.460 -0.036 0.000 1.135 928 W HN -0.167 nan 8.180 nan 0.000 0.654 929 V N 0.185 119.974 119.914 -0.209 0.000 2.287 929 V HA -0.241 3.891 4.120 0.020 0.000 0.248 929 V C 1.020 177.129 176.094 0.025 0.000 1.053 929 V CA 1.926 64.176 62.300 -0.082 0.000 1.027 929 V CB -1.017 30.720 31.823 -0.143 0.000 0.646 929 V HN 0.313 nan 8.190 nan 0.000 0.447 930 N N 0.650 119.360 118.700 0.017 0.000 2.485 930 N HA 0.300 5.052 4.740 0.020 0.000 0.243 930 N C 0.496 176.044 175.510 0.064 0.000 0.987 930 N CA -0.433 52.674 53.050 0.095 0.000 0.940 930 N CB 1.088 39.634 38.487 0.098 0.000 1.122 930 N HN 0.247 nan 8.380 nan 0.000 0.509 931 I N 1.878 122.463 120.570 0.024 0.000 2.480 931 I HA -0.068 4.113 4.170 0.020 0.000 0.251 931 I C 1.324 177.321 176.117 -0.200 0.000 1.124 931 I CA 0.575 61.794 61.300 -0.134 0.000 1.444 931 I CB -0.829 37.000 38.000 -0.284 0.000 1.098 931 I HN 0.539 nan 8.210 nan 0.000 0.428 932 W N 0.854 122.100 121.300 -0.091 0.000 2.350 932 W HA -0.194 4.478 4.660 0.020 0.000 0.289 932 W C 2.410 178.845 176.519 -0.140 0.000 1.215 932 W CA 0.392 57.634 57.345 -0.171 0.000 1.236 932 W CB -0.870 28.410 29.460 -0.299 0.000 1.130 932 W HN 0.072 nan 8.180 nan 0.000 0.541 933 L N 0.259 121.550 121.223 0.113 0.000 2.027 933 L HA -0.145 4.207 4.340 0.020 0.000 0.206 933 L C 2.151 179.008 176.870 -0.022 0.000 1.074 933 L CA 1.853 56.708 54.840 0.025 0.000 0.745 933 L CB -1.023 41.040 42.059 0.006 0.000 0.898 933 L HN -0.002 nan 8.230 nan 0.000 0.433 934 L N -0.924 120.280 121.223 -0.031 0.000 2.017 934 L HA -0.129 4.223 4.340 0.020 0.000 0.208 934 L C 2.554 179.385 176.870 -0.064 0.000 1.073 934 L CA 1.384 56.198 54.840 -0.043 0.000 0.745 934 L CB -1.651 40.390 42.059 -0.031 0.000 0.894 934 L HN 0.463 nan 8.230 nan 0.000 0.432 935 G N -0.679 108.067 108.800 -0.090 0.000 2.442 935 G HA2 -0.256 3.716 3.960 0.020 0.000 0.219 935 G HA3 -0.256 3.716 3.960 0.020 0.000 0.219 935 G C 1.761 176.619 174.900 -0.069 0.000 1.141 935 G CA 1.025 46.065 45.100 -0.100 0.000 0.763 935 G HN 0.336 nan 8.290 nan 0.000 0.554 936 S N 0.369 116.038 115.700 -0.051 0.000 2.356 936 S HA -0.054 4.428 4.470 0.020 0.000 0.223 936 S C 2.291 176.865 174.600 -0.042 0.000 1.032 936 S CA 0.986 59.162 58.200 -0.041 0.000 1.005 936 S CB -0.221 62.959 63.200 -0.033 0.000 0.867 936 S HN 0.404 nan 8.310 nan 0.000 0.449 937 I N 0.990 121.532 120.570 -0.047 0.000 2.113 937 I HA -0.252 3.930 4.170 0.020 0.000 0.238 937 I C 2.434 178.527 176.117 -0.040 0.000 1.070 937 I CA 0.964 62.240 61.300 -0.040 0.000 1.332 937 I CB -0.652 37.323 38.000 -0.041 0.000 1.044 937 I HN 0.356 nan 8.210 nan 0.000 0.402 938 C N 0.453 119.718 119.300 -0.057 0.000 2.413 938 C HA -0.178 4.293 4.460 0.020 0.000 0.276 938 C C 2.769 177.726 174.990 -0.056 0.000 1.248 938 C CA 0.514 59.487 59.018 -0.076 0.000 1.742 938 C CB -1.105 26.579 27.740 -0.093 0.000 2.017 938 C HN 0.519 nan 8.230 nan 0.000 0.481 939 L N 1.362 122.558 121.223 -0.044 0.000 2.013 939 L HA -0.160 4.192 4.340 0.020 0.000 0.212 939 L C 2.491 179.364 176.870 0.004 0.000 1.073 939 L CA 2.251 57.077 54.840 -0.024 0.000 0.753 939 L CB -0.931 41.111 42.059 -0.029 0.000 0.890 939 L HN 0.264 nan 8.230 nan 0.000 0.432 940 S N -1.033 114.666 115.700 -0.002 0.000 2.345 940 S HA -0.117 4.365 4.470 0.020 0.000 0.219 940 S C 1.906 176.573 174.600 0.112 0.000 1.031 940 S CA 1.451 59.659 58.200 0.014 0.000 0.984 940 S CB -0.261 62.924 63.200 -0.025 0.000 0.874 940 S HN 0.379 nan 8.310 nan 0.000 0.451 941 M N 1.837 121.491 119.600 0.090 0.000 2.108 941 M HA -0.100 4.392 4.480 0.020 0.000 0.257 941 M C 2.255 178.684 176.300 0.215 0.000 1.071 941 M CA 1.351 56.744 55.300 0.155 0.000 1.093 941 M CB -1.946 30.647 32.600 -0.011 0.000 1.345 941 M HN 0.187 nan 8.290 nan 0.000 0.403 942 S N 0.601 116.344 115.700 0.071 0.000 2.356 942 S HA -0.099 4.383 4.470 0.020 0.000 0.223 942 S C 1.873 176.626 174.600 0.256 0.000 1.032 942 S CA 0.956 59.208 58.200 0.086 0.000 1.005 942 S CB -0.256 62.951 63.200 0.011 0.000 0.867 942 S HN 0.262 nan 8.310 nan 0.000 0.449 943 L N 1.001 122.382 121.223 0.262 0.000 2.079 943 L HA -0.106 4.246 4.340 0.020 0.000 0.210 943 L C 2.118 179.364 176.870 0.628 0.000 1.081 943 L CA 1.776 56.845 54.840 0.382 0.000 0.752 943 L CB -1.337 40.876 42.059 0.256 0.000 0.896 943 L HN 0.385 nan 8.230 nan 0.000 0.433 944 H N -1.922 117.476 119.070 0.547 0.000 2.395 944 H HA -0.110 4.458 4.556 0.020 0.000 0.299 944 H C 1.997 177.606 175.328 0.468 0.000 1.070 944 H CA 1.332 57.733 56.048 0.589 0.000 1.356 944 H CB 0.016 30.127 29.762 0.581 0.000 1.401 944 H HN 0.140 nan 8.280 nan 0.000 0.524 945 F N -0.138 119.990 119.950 0.297 0.000 2.051 945 F HA -0.135 4.404 4.527 0.020 0.000 0.296 945 F C 2.223 178.173 175.800 0.250 0.000 1.122 945 F CA 0.871 59.038 58.000 0.279 0.000 1.201 945 F CB -1.030 38.053 39.000 0.138 0.000 0.978 945 F HN 0.117 nan 8.300 nan 0.000 0.472 946 L N 0.168 121.603 121.223 0.353 0.000 2.011 946 L HA -0.322 4.030 4.340 0.020 0.000 0.225 946 L C 2.472 179.386 176.870 0.073 0.000 1.084 946 L CA 1.774 56.739 54.840 0.208 0.000 0.791 946 L CB -1.043 41.127 42.059 0.184 0.000 0.898 946 L HN 0.160 nan 8.230 nan 0.000 0.440 947 I N -1.429 119.093 120.570 -0.080 0.000 2.315 947 I HA -0.317 3.865 4.170 0.020 0.000 0.251 947 I C 1.808 177.706 176.117 -0.366 0.000 1.125 947 I CA 1.159 62.212 61.300 -0.410 0.000 1.392 947 I CB 0.135 37.510 38.000 -1.042 0.000 1.065 947 I HN 0.218 nan 8.210 nan 0.000 0.424 948 L N -1.042 120.005 121.223 -0.293 0.000 2.592 948 L HA 0.001 4.352 4.340 0.020 0.000 0.227 948 L C 0.499 176.925 176.870 -0.740 0.000 1.127 948 L CA 1.185 55.710 54.840 -0.526 0.000 0.884 948 L CB -0.115 41.584 42.059 -0.601 0.000 1.065 948 L HN 0.228 nan 8.230 nan 0.000 0.457 949 Y N -3.694 116.547 120.300 -0.099 0.000 2.617 949 Y HA 0.245 4.807 4.550 0.020 0.000 0.280 949 Y C 0.563 176.456 175.900 -0.012 0.000 1.005 949 Y CA -0.584 57.490 58.100 -0.043 0.000 1.194 949 Y CB 0.643 39.099 38.460 -0.007 0.000 1.405 949 Y HN -0.338 nan 8.280 nan 0.000 0.580 950 V N 2.494 122.472 119.914 0.107 0.000 2.313 950 V HA 0.020 4.152 4.120 0.020 0.000 0.252 950 V C 0.288 176.403 176.094 0.034 0.000 1.112 950 V CA -0.010 62.336 62.300 0.077 0.000 0.984 950 V CB 0.179 32.050 31.823 0.081 0.000 1.157 950 V HN 0.273 nan 8.190 nan 0.000 0.493 951 D N 5.541 125.958 120.400 0.027 0.000 2.242 951 D HA -0.195 4.457 4.640 0.020 0.000 0.190 951 D C -0.355 175.942 176.300 -0.004 0.000 1.012 951 D CA 2.250 56.249 54.000 -0.001 0.000 0.875 951 D CB -0.643 40.160 40.800 0.006 0.000 0.922 951 D HN 0.483 nan 8.370 nan 0.000 0.448 952 P HA -0.131 nan 4.420 nan 0.000 0.222 952 P C 1.230 178.540 177.300 0.016 0.000 1.142 952 P CA 0.871 63.978 63.100 0.012 0.000 0.788 952 P CB 0.164 31.878 31.700 0.024 0.000 0.767 953 L N -0.402 120.836 121.223 0.025 0.000 2.168 953 L HA 0.138 4.490 4.340 0.020 0.000 0.203 953 L C -0.643 176.271 176.870 0.073 0.000 1.078 953 L CA 1.663 56.543 54.840 0.068 0.000 0.780 953 L CB -2.118 39.974 42.059 0.056 0.000 0.939 953 L HN -0.019 nan 8.230 nan 0.000 0.451 954 P HA -0.160 nan 4.420 nan 0.000 0.225 954 P C 1.946 179.222 177.300 -0.041 0.000 1.148 954 P CA 1.270 64.325 63.100 -0.076 0.000 0.779 954 P CB -0.071 31.532 31.700 -0.162 0.000 0.780 955 M N -0.640 118.940 119.600 -0.034 0.000 2.067 955 M HA -0.143 4.349 4.480 0.020 0.000 0.260 955 M C 1.802 178.064 176.300 -0.063 0.000 1.069 955 M CA 2.097 57.371 55.300 -0.043 0.000 1.117 955 M CB -0.555 32.023 32.600 -0.037 0.000 1.334 955 M HN -0.156 nan 8.290 nan 0.000 0.407 956 I N -0.644 119.874 120.570 -0.086 0.000 2.361 956 I HA -0.235 3.947 4.170 0.020 0.000 0.251 956 I C 1.247 177.121 176.117 -0.405 0.000 1.133 956 I CA 1.052 62.206 61.300 -0.243 0.000 1.413 956 I CB -0.522 37.288 38.000 -0.317 0.000 1.073 956 I HN 0.176 nan 8.210 nan 0.000 0.424 957 F N 0.425 120.289 119.950 -0.144 0.000 2.678 957 F HA 0.383 4.922 4.527 0.020 0.000 0.166 957 F C 0.781 176.488 175.800 -0.155 0.000 1.247 957 F CA -0.190 57.706 58.000 -0.173 0.000 0.970 957 F CB -0.030 38.786 39.000 -0.306 0.000 1.771 957 F HN -0.348 nan 8.300 nan 0.000 0.596 958 K N 0.644 121.062 120.400 0.030 0.000 2.464 958 K HA 0.362 4.694 4.320 0.020 0.000 0.253 958 K C -1.023 175.487 176.600 -0.149 0.000 0.933 958 K CA -0.720 55.524 56.287 -0.073 0.000 0.801 958 K CB 2.107 34.554 32.500 -0.089 0.000 1.271 958 K HN 0.334 nan 8.250 nan 0.000 0.430 959 L N 3.320 124.453 121.223 -0.150 0.000 3.184 959 L HA -0.260 4.092 4.340 0.020 0.000 0.355 959 L C 1.488 178.196 176.870 -0.270 0.000 1.167 959 L CA 0.770 55.498 54.840 -0.188 0.000 0.816 959 L CB -0.273 41.683 42.059 -0.172 0.000 1.165 959 L HN 0.653 nan 8.230 nan 0.000 0.603 960 K N 4.123 124.338 120.400 -0.309 0.000 2.351 960 K HA 0.475 4.806 4.320 0.020 0.000 0.255 960 K C 0.329 176.694 176.600 -0.391 0.000 1.108 960 K CA 0.033 56.049 56.287 -0.451 0.000 0.813 960 K CB 0.211 32.389 32.500 -0.536 0.000 1.073 960 K HN 0.696 nan 8.250 nan 0.000 0.511 961 A N -1.443 121.135 122.820 -0.404 0.000 3.705 961 A HA 0.302 4.633 4.320 0.020 0.000 0.256 961 A C -1.368 176.150 177.584 -0.110 0.000 0.983 961 A CA -0.569 51.323 52.037 -0.242 0.000 0.545 961 A CB -0.470 18.348 19.000 -0.304 0.000 1.717 961 A HN 1.010 nan 8.150 nan 0.000 0.845 962 L N -0.096 121.079 121.223 -0.079 0.000 3.260 962 L HA -0.127 4.225 4.340 0.020 0.000 0.527 962 L C -0.795 176.225 176.870 0.251 0.000 1.002 962 L CA 0.945 55.797 54.840 0.021 0.000 1.246 962 L CB -1.070 40.771 42.059 -0.363 0.000 1.077 962 L HN 0.862 nan 8.230 nan 0.000 0.594 963 D N 4.919 125.459 120.400 0.234 0.000 2.593 963 D HA 0.663 5.315 4.640 0.020 0.000 0.251 963 D C 0.564 177.003 176.300 0.231 0.000 1.140 963 D CA -0.409 53.736 54.000 0.242 0.000 0.855 963 D CB 1.952 42.856 40.800 0.174 0.000 1.267 963 D HN 0.526 nan 8.370 nan 0.000 0.532 964 L N 1.356 122.724 121.223 0.242 0.000 6.859 964 L HA -0.505 3.847 4.340 0.020 0.000 0.060 964 L C 2.007 179.016 176.870 0.230 0.000 1.442 964 L CA 1.479 56.446 54.840 0.211 0.000 1.727 964 L CB -1.451 40.695 42.059 0.145 0.000 2.650 964 L HN 0.708 nan 8.230 nan 0.000 1.052 965 T N -2.436 112.228 114.554 0.183 0.000 11.629 965 T HA -0.469 3.893 4.350 0.020 0.000 0.417 965 T C 1.219 176.031 174.700 0.187 0.000 1.442 965 T CA 2.691 64.900 62.100 0.180 0.000 2.397 965 T CB -0.927 68.059 68.868 0.198 0.000 2.877 965 T HN 0.667 nan 8.240 nan 0.000 0.943 966 Q N -0.307 119.628 119.800 0.224 0.000 2.135 966 Q HA -0.051 4.301 4.340 0.020 0.000 0.204 966 Q C 2.126 178.152 176.000 0.044 0.000 0.981 966 Q CA 2.036 57.945 55.803 0.177 0.000 0.856 966 Q CB -0.278 28.558 28.738 0.164 0.000 0.902 966 Q HN 0.754 nan 8.270 nan 0.000 0.425 967 W N 0.427 121.771 121.300 0.073 0.000 2.441 967 W HA 0.025 4.697 4.660 0.020 0.000 0.302 967 W C 1.682 178.218 176.519 0.029 0.000 1.191 967 W CA 0.309 57.691 57.345 0.061 0.000 1.327 967 W CB 0.072 29.592 29.460 0.100 0.000 1.128 967 W HN 0.045 nan 8.180 nan 0.000 0.522 968 L N -0.161 121.244 121.223 0.304 0.000 2.189 968 L HA -0.288 4.064 4.340 0.020 0.000 0.214 968 L C 2.314 179.224 176.870 0.066 0.000 1.097 968 L CA 1.018 55.957 54.840 0.165 0.000 0.764 968 L CB -0.784 41.347 42.059 0.120 0.000 0.900 968 L HN 0.126 nan 8.230 nan 0.000 0.436 969 M N -0.223 119.363 119.600 -0.024 0.000 2.064 969 M HA -0.115 4.377 4.480 0.020 0.000 0.260 969 M C 2.221 178.423 176.300 -0.163 0.000 1.073 969 M CA 1.728 56.887 55.300 -0.235 0.000 1.124 969 M CB -0.441 31.798 32.600 -0.601 0.000 1.326 969 M HN -0.079 nan 8.290 nan 0.000 0.410 970 V N 0.539 120.393 119.914 -0.099 0.000 2.277 970 V HA -0.332 3.800 4.120 0.020 0.000 0.253 970 V C 2.455 178.600 176.094 0.084 0.000 1.067 970 V CA 2.073 64.361 62.300 -0.020 0.000 1.047 970 V CB -1.087 30.735 31.823 -0.002 0.000 0.649 970 V HN 0.514 nan 8.190 nan 0.000 0.447 971 L N -0.510 120.811 121.223 0.164 0.000 1.994 971 L HA -0.164 4.188 4.340 0.020 0.000 0.208 971 L C 2.390 179.301 176.870 0.069 0.000 1.071 971 L CA 2.014 56.937 54.840 0.138 0.000 0.745 971 L CB -0.750 41.397 42.059 0.146 0.000 0.892 971 L HN 0.207 nan 8.230 nan 0.000 0.431 972 K N -0.755 119.660 120.400 0.025 0.000 2.211 972 K HA -0.106 4.226 4.320 0.020 0.000 0.204 972 K C 1.892 178.500 176.600 0.014 0.000 1.047 972 K CA 1.344 57.633 56.287 0.004 0.000 0.935 972 K CB -0.164 32.312 32.500 -0.041 0.000 0.728 972 K HN 0.340 nan 8.250 nan 0.000 0.452 973 I N -0.987 119.581 120.570 -0.003 0.000 2.585 973 I HA -0.143 4.039 4.170 0.020 0.000 0.254 973 I C 1.795 177.977 176.117 0.107 0.000 1.129 973 I CA 0.702 62.010 61.300 0.014 0.000 1.455 973 I CB 0.001 37.963 38.000 -0.063 0.000 1.111 973 I HN -0.009 nan 8.210 nan 0.000 0.433 974 S N 0.927 116.687 115.700 0.099 0.000 2.388 974 S HA -0.027 4.454 4.470 0.020 0.000 0.223 974 S C 1.924 176.606 174.600 0.135 0.000 1.034 974 S CA 0.652 58.932 58.200 0.134 0.000 0.963 974 S CB -0.240 63.027 63.200 0.112 0.000 0.827 974 S HN 0.187 nan 8.310 nan 0.000 0.481 975 L N 2.329 123.611 121.223 0.098 0.000 2.081 975 L HA -0.059 4.293 4.340 0.020 0.000 0.212 975 L C -1.232 175.661 176.870 0.038 0.000 1.080 975 L CA 1.751 56.630 54.840 0.064 0.000 0.754 975 L CB -1.361 40.730 42.059 0.053 0.000 0.893 975 L HN 0.191 nan 8.230 nan 0.000 0.433 976 P HA -0.133 nan 4.420 nan 0.000 0.222 976 P C 2.081 179.260 177.300 -0.201 0.000 1.147 976 P CA 0.781 63.861 63.100 -0.033 0.000 0.790 976 P CB -0.006 31.729 31.700 0.057 0.000 0.780 977 V N -0.199 119.621 119.914 -0.157 0.000 2.370 977 V HA -0.275 3.857 4.120 0.020 0.000 0.252 977 V C 2.038 178.047 176.094 -0.142 0.000 1.068 977 V CA 1.792 63.962 62.300 -0.218 0.000 1.061 977 V CB -0.824 30.999 31.823 0.001 0.000 0.656 977 V HN 0.046 nan 8.190 nan 0.000 0.455 978 I N -0.141 120.387 120.570 -0.069 0.000 2.353 978 I HA -0.086 4.096 4.170 0.020 0.000 0.248 978 I C 2.499 178.585 176.117 -0.051 0.000 1.119 978 I CA 1.355 62.632 61.300 -0.040 0.000 1.417 978 I CB -0.842 37.151 38.000 -0.012 0.000 1.078 978 I HN 0.428 nan 8.210 nan 0.000 0.421 979 G N 1.053 109.810 108.800 -0.072 0.000 2.408 979 G HA2 -0.233 3.739 3.960 0.020 0.000 0.217 979 G HA3 -0.233 3.739 3.960 0.020 0.000 0.217 979 G C 1.631 176.481 174.900 -0.083 0.000 1.150 979 G CA 0.481 45.540 45.100 -0.067 0.000 0.776 979 G HN 0.269 nan 8.290 nan 0.000 0.542 980 L N 0.697 121.829 121.223 -0.152 0.000 2.072 980 L HA 0.128 4.480 4.340 0.020 0.000 0.205 980 L C 2.027 178.855 176.870 -0.071 0.000 1.079 980 L CA 2.389 57.137 54.840 -0.154 0.000 0.752 980 L CB -0.677 41.194 42.059 -0.314 0.000 0.906 980 L HN 0.161 nan 8.230 nan 0.000 0.436 981 D N -0.551 119.811 120.400 -0.064 0.000 2.117 981 D HA -0.224 4.428 4.640 0.020 0.000 0.198 981 D C 2.053 178.386 176.300 0.055 0.000 0.982 981 D CA 1.084 55.084 54.000 -0.001 0.000 0.828 981 D CB 0.085 40.883 40.800 -0.003 0.000 0.967 981 D HN 0.441 nan 8.370 nan 0.000 0.464 982 E N -0.700 119.521 120.200 0.035 0.000 2.338 982 E HA -0.082 4.280 4.350 0.020 0.000 0.197 982 E C 1.526 178.191 176.600 0.108 0.000 1.007 982 E CA 0.524 56.962 56.400 0.064 0.000 0.849 982 E CB 0.086 29.804 29.700 0.030 0.000 0.774 982 E HN 0.308 nan 8.360 nan 0.000 0.506 983 I N -0.304 120.318 120.570 0.087 0.000 2.494 983 I HA -0.094 4.088 4.170 0.020 0.000 0.250 983 I C 1.871 178.138 176.117 0.250 0.000 1.112 983 I CA 0.406 61.781 61.300 0.124 0.000 1.438 983 I CB -0.862 37.163 38.000 0.041 0.000 1.111 983 I HN 0.213 nan 8.210 nan 0.000 0.431 984 L N 1.182 122.532 121.223 0.212 0.000 2.131 984 L HA -0.138 4.214 4.340 0.020 0.000 0.210 984 L C 2.340 179.457 176.870 0.413 0.000 1.092 984 L CA 1.816 56.847 54.840 0.319 0.000 0.759 984 L CB -0.679 41.496 42.059 0.193 0.000 0.903 984 L HN 0.147 nan 8.230 nan 0.000 0.435 985 K N -2.081 118.488 120.400 0.281 0.000 2.217 985 K HA -0.145 4.187 4.320 0.020 0.000 0.202 985 K C 2.009 178.709 176.600 0.168 0.000 1.051 985 K CA 1.015 57.427 56.287 0.208 0.000 0.952 985 K CB -0.188 32.393 32.500 0.135 0.000 0.736 985 K HN 0.212 nan 8.250 nan 0.000 0.453 986 F N 1.665 121.665 119.950 0.083 0.000 2.186 986 F HA -0.117 4.422 4.527 0.020 0.000 0.299 986 F C 1.762 177.605 175.800 0.071 0.000 1.090 986 F CA 1.064 59.098 58.000 0.057 0.000 1.307 986 F CB 0.033 39.067 39.000 0.057 0.000 1.019 986 F HN -0.112 nan 8.300 nan 0.000 0.489 987 I N 0.292 121.049 120.570 0.313 0.000 2.113 987 I HA -0.316 3.866 4.170 0.020 0.000 0.238 987 I C 2.526 178.699 176.117 0.094 0.000 1.070 987 I CA 1.499 62.960 61.300 0.268 0.000 1.332 987 I CB -0.843 37.420 38.000 0.439 0.000 1.044 987 I HN 0.195 nan 8.210 nan 0.000 0.402 988 A N 0.090 122.847 122.820 -0.104 0.000 2.209 988 A HA -0.142 4.189 4.320 0.020 0.000 0.212 988 A C 2.319 179.597 177.584 -0.511 0.000 1.158 988 A CA 0.917 52.607 52.037 -0.579 0.000 0.742 988 A CB -0.530 17.766 19.000 -1.173 0.000 0.790 988 A HN 0.427 nan 8.150 nan 0.000 0.472 989 R N -0.246 120.061 120.500 -0.322 0.000 2.074 989 R HA 0.054 4.406 4.340 0.020 0.000 0.218 989 R C 0.272 176.371 176.300 -0.335 0.000 1.137 989 R CA 0.779 56.690 56.100 -0.315 0.000 0.998 989 R CB -0.153 29.997 30.300 -0.250 0.000 0.895 989 R HN 0.376 nan 8.270 nan 0.000 0.442 990 N N 0.598 119.053 118.700 -0.408 0.000 2.375 990 N HA -0.036 4.716 4.740 0.020 0.000 0.220 990 N C -1.169 174.271 175.510 -0.117 0.000 1.170 990 N CA 0.253 53.100 53.050 -0.338 0.000 0.833 990 N CB 0.555 38.695 38.487 -0.578 0.000 1.069 990 N HN 0.301 nan 8.380 nan 0.000 0.479 991 Y N -0.373 119.788 120.300 -0.231 0.000 2.264 991 Y HA 0.385 4.947 4.550 0.020 0.000 0.321 991 Y C -2.203 173.563 175.900 -0.222 0.000 1.199 991 Y CA -1.154 56.834 58.100 -0.186 0.000 1.175 991 Y CB -0.010 38.350 38.460 -0.165 0.000 1.213 991 Y HN -0.223 nan 8.280 nan 0.000 0.414 992 L N 4.897 125.756 121.223 -0.606 0.000 2.334 992 L HA 0.798 5.150 4.340 0.020 0.000 0.272 992 L C -0.913 175.593 176.870 -0.607 0.000 1.020 992 L CA -0.588 53.851 54.840 -0.667 0.000 0.812 992 L CB 1.746 43.596 42.059 -0.348 0.000 1.264 992 L HN 0.851 nan 8.230 nan 0.000 0.439 993 E N 1.624 121.505 120.200 -0.531 0.000 2.748 993 E HA 0.544 4.906 4.350 0.020 0.000 0.320 993 E C -1.498 174.969 176.600 -0.221 0.000 0.996 993 E CA -0.213 56.011 56.400 -0.292 0.000 0.835 993 E CB 1.001 30.580 29.700 -0.201 0.000 1.265 993 E HN 0.859 nan 8.360 nan 0.000 0.420 994 G N 0.000 108.726 108.800 -0.123 0.000 5.446 994 G HA2 0.000 3.972 3.960 0.020 0.000 0.244 994 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 994 G CA 0.000 45.057 45.100 -0.071 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925