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 2eau_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.240 176.300 -0.100 0.000 1.140 1 M CA 0.000 55.138 55.300 -0.271 0.000 0.988 1 M CB 0.000 32.342 32.600 -0.430 0.000 1.302 2 E N 1.092 121.248 120.200 -0.074 0.000 2.479 2 E HA 0.381 4.730 4.350 -0.003 0.000 0.193 2 E C 0.660 177.276 176.600 0.027 0.000 1.049 2 E CA 0.654 57.055 56.400 0.001 0.000 0.870 2 E CB 0.560 30.276 29.700 0.026 0.000 0.944 2 E HN 0.579 nan 8.360 nan 0.000 0.492 3 A N 0.711 123.500 122.820 -0.051 0.000 2.535 3 A HA 0.658 4.976 4.320 -0.003 0.000 0.273 3 A C 1.909 179.389 177.584 -0.174 0.000 1.267 3 A CA 0.234 52.224 52.037 -0.079 0.000 0.940 3 A CB -0.008 18.914 19.000 -0.130 0.000 1.101 3 A HN 0.317 nan 8.150 nan 0.000 0.521 4 A N 0.842 123.618 122.820 -0.074 0.000 1.986 4 A HA -0.255 4.063 4.320 -0.003 0.000 0.220 4 A C 2.010 179.560 177.584 -0.055 0.000 1.171 4 A CA 1.858 53.860 52.037 -0.057 0.000 0.640 4 A CB -1.017 17.988 19.000 0.009 0.000 0.811 4 A HN 0.903 nan 8.150 nan 0.000 0.451 5 H N 0.037 119.088 119.070 -0.031 0.000 2.387 5 H HA -0.086 4.468 4.556 -0.003 0.000 0.299 5 H C 1.840 177.153 175.328 -0.024 0.000 1.090 5 H CA 1.861 57.891 56.048 -0.029 0.000 1.332 5 H CB -0.723 29.031 29.762 -0.014 0.000 1.386 5 H HN 0.554 nan 8.280 nan 0.000 0.516 6 S N 0.274 115.515 115.700 -0.766 0.000 2.528 6 S HA 0.115 4.583 4.470 -0.003 0.000 0.219 6 S C 0.845 175.310 174.600 -0.225 0.000 0.985 6 S CA -0.373 57.541 58.200 -0.477 0.000 0.914 6 S CB 0.347 63.208 63.200 -0.564 0.000 0.776 6 S HN 0.245 nan 8.310 nan 0.000 0.526 7 K N 2.344 122.634 120.400 -0.184 0.000 2.090 7 K HA 0.410 4.728 4.320 -0.003 0.000 0.249 7 K C 0.348 176.913 176.600 -0.059 0.000 0.995 7 K CA -0.206 56.019 56.287 -0.104 0.000 0.914 7 K CB 1.124 33.568 32.500 -0.093 0.000 1.057 7 K HN 0.377 nan 8.250 nan 0.000 0.462 8 S N -0.503 115.177 115.700 -0.034 0.000 2.632 8 S HA 0.016 4.484 4.470 -0.003 0.000 0.267 8 S C 1.259 175.860 174.600 0.002 0.000 1.276 8 S CA -0.346 57.844 58.200 -0.017 0.000 0.998 8 S CB 1.378 64.571 63.200 -0.012 0.000 0.953 8 S HN 0.579 nan 8.310 nan 0.000 0.547 9 T N 1.185 115.742 114.554 0.006 0.000 2.759 9 T HA -0.108 4.241 4.350 -0.003 0.000 0.269 9 T C 1.444 176.164 174.700 0.033 0.000 1.042 9 T CA 2.144 64.255 62.100 0.018 0.000 1.140 9 T CB -0.656 68.218 68.868 0.011 0.000 0.864 9 T HN 0.773 nan 8.240 nan 0.000 0.455 10 E N 0.932 121.148 120.200 0.026 0.000 2.047 10 E HA -0.047 4.302 4.350 -0.003 0.000 0.191 10 E C 2.256 178.888 176.600 0.053 0.000 0.987 10 E CA 1.039 57.459 56.400 0.034 0.000 0.799 10 E CB -0.199 29.513 29.700 0.021 0.000 0.752 10 E HN 0.579 nan 8.360 nan 0.000 0.449 11 E N -0.114 120.112 120.200 0.042 0.000 2.070 11 E HA -0.221 4.127 4.350 -0.003 0.000 0.197 11 E C 2.061 178.723 176.600 0.104 0.000 1.004 11 E CA 1.447 57.880 56.400 0.054 0.000 0.805 11 E CB -0.211 29.501 29.700 0.020 0.000 0.744 11 E HN 0.293 nan 8.360 nan 0.000 0.451 12 C N 0.500 119.864 119.300 0.106 0.000 2.432 12 C HA -0.100 4.358 4.460 -0.003 0.000 0.277 12 C C 2.616 177.778 174.990 0.286 0.000 1.249 12 C CA 0.308 59.444 59.018 0.196 0.000 1.725 12 C CB -0.955 26.878 27.740 0.154 0.000 2.028 12 C HN 0.400 nan 8.230 nan 0.000 0.477 13 L N 1.177 122.508 121.223 0.180 0.000 2.042 13 L HA -0.217 4.122 4.340 -0.003 0.000 0.210 13 L C 2.872 179.853 176.870 0.185 0.000 1.076 13 L CA 1.731 56.672 54.840 0.169 0.000 0.749 13 L CB -0.733 41.381 42.059 0.093 0.000 0.893 13 L HN 0.383 nan 8.230 nan 0.000 0.432 14 A N -0.784 122.123 122.820 0.146 0.000 1.855 14 A HA -0.293 4.025 4.320 -0.003 0.000 0.215 14 A C 2.163 179.815 177.584 0.114 0.000 1.191 14 A CA 1.548 53.651 52.037 0.109 0.000 0.613 14 A CB -1.067 17.979 19.000 0.076 0.000 0.829 14 A HN 0.435 nan 8.150 nan 0.000 0.442 15 Y N -0.329 119.980 120.300 0.014 0.000 2.062 15 Y HA -0.320 4.229 4.550 -0.003 0.000 0.273 15 Y C 1.748 177.564 175.900 -0.141 0.000 1.206 15 Y CA 2.494 60.527 58.100 -0.111 0.000 1.125 15 Y CB -0.543 37.775 38.460 -0.236 0.000 0.951 15 Y HN 0.286 nan 8.280 nan 0.000 0.501 16 F N -0.026 119.978 119.950 0.090 0.000 2.797 16 F HA 0.257 4.782 4.527 -0.003 0.000 0.302 16 F C 1.727 177.575 175.800 0.079 0.000 1.130 16 F CA 0.590 58.635 58.000 0.074 0.000 1.387 16 F CB -0.362 38.759 39.000 0.202 0.000 1.107 16 F HN 0.146 nan 8.300 nan 0.000 0.577 17 G N 1.959 110.869 108.800 0.184 0.000 2.372 17 G HA2 -0.170 3.789 3.960 -0.003 0.000 0.297 17 G HA3 -0.170 3.789 3.960 -0.003 0.000 0.297 17 G C -0.418 174.561 174.900 0.131 0.000 1.005 17 G CA 0.468 45.639 45.100 0.118 0.000 1.173 17 G HN 0.339 nan 8.290 nan 0.000 0.511 18 V N 0.043 120.044 119.914 0.145 0.000 2.914 18 V HA 0.894 5.013 4.120 -0.003 0.000 0.314 18 V C 0.430 176.561 176.094 0.062 0.000 1.084 18 V CA -0.020 62.337 62.300 0.094 0.000 0.963 18 V CB 2.329 34.211 31.823 0.098 0.000 1.025 18 V HN 1.417 nan 8.190 nan 0.000 0.432 19 S N 3.098 118.818 115.700 0.033 0.000 2.480 19 S HA 0.371 4.839 4.470 -0.003 0.000 0.286 19 S C 0.698 175.302 174.600 0.007 0.000 1.180 19 S CA 0.047 58.257 58.200 0.017 0.000 1.075 19 S CB 1.394 64.596 63.200 0.004 0.000 0.996 19 S HN 0.910 nan 8.310 nan 0.000 0.487 20 E N 2.112 122.312 120.200 0.001 0.000 2.265 20 E HA -0.155 4.194 4.350 -0.003 0.000 0.196 20 E C 1.624 178.192 176.600 -0.053 0.000 0.996 20 E CA 1.662 58.054 56.400 -0.013 0.000 0.832 20 E CB -0.151 29.541 29.700 -0.013 0.000 0.756 20 E HN 0.967 nan 8.360 nan 0.000 0.491 21 T N -3.051 111.468 114.554 -0.058 0.000 3.009 21 T HA -0.057 4.292 4.350 -0.003 0.000 0.258 21 T C 1.982 176.622 174.700 -0.101 0.000 1.063 21 T CA 1.302 63.342 62.100 -0.100 0.000 1.139 21 T CB 0.019 68.844 68.868 -0.072 0.000 0.890 21 T HN 0.172 nan 8.240 nan 0.000 0.471 22 T N -2.028 112.501 114.554 -0.042 0.000 2.964 22 T HA 0.531 4.880 4.350 -0.003 0.000 0.249 22 T C 1.302 176.019 174.700 0.028 0.000 1.000 22 T CA 0.777 62.871 62.100 -0.011 0.000 0.992 22 T CB -0.135 68.729 68.868 -0.007 0.000 1.087 22 T HN 1.179 nan 8.240 nan 0.000 0.489 23 G N 1.768 110.581 108.800 0.023 0.000 2.725 23 G HA2 -0.107 3.852 3.960 -0.003 0.000 0.220 23 G HA3 -0.107 3.852 3.960 -0.003 0.000 0.220 23 G C -0.529 174.373 174.900 0.004 0.000 1.357 23 G CA -0.509 44.609 45.100 0.031 0.000 0.866 23 G HN 0.677 nan 8.290 nan 0.000 0.548 24 L N 0.626 121.838 121.223 -0.019 0.000 2.479 24 L HA 0.458 4.796 4.340 -0.003 0.000 0.270 24 L C 1.727 178.565 176.870 -0.053 0.000 1.236 24 L CA 0.476 55.277 54.840 -0.064 0.000 0.823 24 L CB 0.279 42.257 42.059 -0.135 0.000 1.098 24 L HN 1.075 nan 8.230 nan 0.000 0.500 25 T N -2.672 111.840 114.554 -0.071 0.000 2.945 25 T HA 0.351 4.700 4.350 -0.003 0.000 0.286 25 T C -1.661 173.003 174.700 -0.059 0.000 1.025 25 T CA -1.946 60.125 62.100 -0.047 0.000 1.039 25 T CB 1.788 70.635 68.868 -0.037 0.000 1.068 25 T HN 0.460 nan 8.240 nan 0.000 0.497 26 P HA -0.139 nan 4.420 nan 0.000 0.220 26 P C 0.761 178.038 177.300 -0.038 0.000 1.144 26 P CA 1.411 64.491 63.100 -0.033 0.000 0.800 26 P CB 0.121 31.811 31.700 -0.017 0.000 0.772 27 D N -0.453 119.923 120.400 -0.040 0.000 2.162 27 D HA -0.114 4.525 4.640 -0.003 0.000 0.203 27 D C 2.255 178.519 176.300 -0.060 0.000 0.967 27 D CA 0.954 54.933 54.000 -0.034 0.000 0.840 27 D CB -0.318 40.468 40.800 -0.023 0.000 0.972 27 D HN 0.101 nan 8.370 nan 0.000 0.482 28 Q N -0.311 119.422 119.800 -0.112 0.000 2.119 28 Q HA -0.072 4.266 4.340 -0.003 0.000 0.201 28 Q C 2.327 178.133 176.000 -0.324 0.000 0.972 28 Q CA 0.909 56.561 55.803 -0.250 0.000 0.847 28 Q CB 0.155 28.705 28.738 -0.314 0.000 0.903 28 Q HN 0.205 nan 8.270 nan 0.000 0.433 29 V N 1.617 121.419 119.914 -0.187 0.000 2.231 29 V HA -0.343 3.775 4.120 -0.003 0.000 0.248 29 V C 2.061 178.143 176.094 -0.021 0.000 1.054 29 V CA 2.135 64.374 62.300 -0.101 0.000 1.015 29 V CB -0.487 31.301 31.823 -0.057 0.000 0.638 29 V HN 0.342 nan 8.190 nan 0.000 0.444 30 K N -0.342 120.047 120.400 -0.018 0.000 2.032 30 K HA -0.195 4.123 4.320 -0.003 0.000 0.209 30 K C 2.362 178.984 176.600 0.037 0.000 1.048 30 K CA 1.621 57.911 56.287 0.005 0.000 0.927 30 K CB -0.313 32.188 32.500 0.001 0.000 0.712 30 K HN 0.305 nan 8.250 nan 0.000 0.441 31 R N 0.015 120.544 120.500 0.047 0.000 2.120 31 R HA -0.101 4.237 4.340 -0.003 0.000 0.234 31 R C 2.098 178.520 176.300 0.203 0.000 1.123 31 R CA 1.377 57.535 56.100 0.096 0.000 0.975 31 R CB -0.173 30.188 30.300 0.101 0.000 0.866 31 R HN 0.457 nan 8.270 nan 0.000 0.446 32 H N -1.149 117.970 119.070 0.082 0.000 2.436 32 H HA -0.051 4.503 4.556 -0.003 0.000 0.294 32 H C 1.700 177.142 175.328 0.191 0.000 1.048 32 H CA 0.527 56.701 56.048 0.209 0.000 1.353 32 H CB 0.327 30.248 29.762 0.266 0.000 1.414 32 H HN 0.056 nan 8.280 nan 0.000 0.536 33 L N 1.272 122.610 121.223 0.192 0.000 2.156 33 L HA -0.084 4.254 4.340 -0.003 0.000 0.208 33 L C 1.707 178.580 176.870 0.004 0.000 1.095 33 L CA 1.538 56.401 54.840 0.039 0.000 0.770 33 L CB -0.111 41.898 42.059 -0.084 0.000 0.914 33 L HN 0.031 nan 8.230 nan 0.000 0.439 34 E N -0.723 119.484 120.200 0.011 0.000 2.358 34 E HA -0.135 4.214 4.350 -0.003 0.000 0.195 34 E C 2.020 178.583 176.600 -0.062 0.000 1.010 34 E CA 0.568 56.961 56.400 -0.012 0.000 0.856 34 E CB -0.010 29.687 29.700 -0.004 0.000 0.795 34 E HN 0.432 nan 8.360 nan 0.000 0.504 35 K N -1.055 119.256 120.400 -0.148 0.000 2.276 35 K HA -0.005 4.314 4.320 -0.003 0.000 0.198 35 K C 0.593 176.927 176.600 -0.444 0.000 1.052 35 K CA 0.552 56.613 56.287 -0.376 0.000 0.984 35 K CB 0.222 32.322 32.500 -0.667 0.000 0.836 35 K HN 0.115 nan 8.250 nan 0.000 0.490 36 Y N -0.081 120.238 120.300 0.033 0.000 2.445 36 Y HA 0.322 4.870 4.550 -0.003 0.000 0.247 36 Y C 0.871 176.796 175.900 0.042 0.000 1.129 36 Y CA 0.121 58.245 58.100 0.039 0.000 1.251 36 Y CB 1.049 39.538 38.460 0.047 0.000 1.176 36 Y HN 0.247 nan 8.280 nan 0.000 0.522 37 G N 0.302 109.191 108.800 0.147 0.000 2.725 37 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.220 37 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.220 37 G C -0.773 174.188 174.900 0.102 0.000 1.357 37 G CA -0.716 44.467 45.100 0.137 0.000 0.866 37 G HN 0.360 nan 8.290 nan 0.000 0.548 38 H N 0.167 119.287 119.070 0.083 0.000 2.505 38 H HA 0.306 4.861 4.556 -0.003 0.000 0.351 38 H C 0.771 176.138 175.328 0.064 0.000 1.151 38 H CA -0.005 56.085 56.048 0.070 0.000 1.339 38 H CB 1.227 31.018 29.762 0.050 0.000 1.483 38 H HN 0.486 nan 8.280 nan 0.000 0.558 39 N N 2.667 121.462 118.700 0.159 0.000 2.819 39 N HA -0.040 4.698 4.740 -0.003 0.000 0.284 39 N C -0.885 174.682 175.510 0.095 0.000 1.196 39 N CA -0.044 53.067 53.050 0.102 0.000 1.114 39 N CB -0.205 38.320 38.487 0.064 0.000 1.437 39 N HN 0.635 nan 8.380 nan 0.000 0.518 40 E N 0.515 120.771 120.200 0.094 0.000 2.401 40 E HA 0.257 4.605 4.350 -0.003 0.000 0.280 40 E C -1.448 175.187 176.600 0.058 0.000 1.039 40 E CA -0.995 55.446 56.400 0.067 0.000 0.814 40 E CB 0.373 30.107 29.700 0.056 0.000 1.275 40 E HN -0.046 nan 8.360 nan 0.000 0.448 41 L N 2.150 123.398 121.223 0.041 0.000 2.395 41 L HA 0.375 4.713 4.340 -0.003 0.000 0.269 41 L C -1.969 174.915 176.870 0.024 0.000 1.133 41 L CA -1.959 52.901 54.840 0.033 0.000 0.812 41 L CB -0.153 41.919 42.059 0.023 0.000 1.125 41 L HN 0.515 nan 8.230 nan 0.000 0.452 42 P HA 0.153 nan 4.420 nan 0.000 0.271 42 P C -0.885 176.419 177.300 0.006 0.000 1.216 42 P CA -0.437 62.672 63.100 0.016 0.000 0.771 42 P CB 0.730 32.441 31.700 0.019 0.000 0.864 43 A N 3.580 126.401 122.820 0.002 0.000 2.406 43 A HA 0.251 4.569 4.320 -0.003 0.000 0.243 43 A C 0.525 178.108 177.584 -0.001 0.000 1.082 43 A CA -0.386 51.650 52.037 -0.002 0.000 0.786 43 A CB -0.160 18.837 19.000 -0.005 0.000 1.029 43 A HN 0.686 nan 8.150 nan 0.000 0.495 44 E N 0.153 120.351 120.200 -0.003 0.000 2.204 44 E HA 0.496 4.844 4.350 -0.003 0.000 0.276 44 E C -0.736 175.865 176.600 0.002 0.000 0.974 44 E CA -0.573 55.825 56.400 -0.002 0.000 0.815 44 E CB 1.282 30.978 29.700 -0.006 0.000 1.119 44 E HN 0.413 nan 8.360 nan 0.000 0.393 45 E N 3.029 123.232 120.200 0.005 0.000 2.561 45 E HA 0.257 4.605 4.350 -0.003 0.000 0.225 45 E C -0.169 176.438 176.600 0.012 0.000 1.035 45 E CA -0.513 55.893 56.400 0.010 0.000 0.904 45 E CB 0.171 29.878 29.700 0.012 0.000 1.291 45 E HN 0.707 nan 8.360 nan 0.000 0.444 46 G N 3.525 112.332 108.800 0.012 0.000 2.568 46 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.231 46 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.231 46 G C -0.015 174.899 174.900 0.023 0.000 1.261 46 G CA -0.470 44.638 45.100 0.014 0.000 0.855 46 G HN 0.342 nan 8.290 nan 0.000 0.576 47 K N 0.632 121.045 120.400 0.021 0.000 2.469 47 K HA 0.040 4.358 4.320 -0.003 0.000 0.274 47 K C 0.788 177.416 176.600 0.046 0.000 0.983 47 K CA 0.021 56.326 56.287 0.029 0.000 0.974 47 K CB 0.952 33.463 32.500 0.018 0.000 0.913 47 K HN 0.427 nan 8.250 nan 0.000 0.493 48 S N 1.842 117.582 115.700 0.066 0.000 2.548 48 S HA 0.025 4.493 4.470 -0.003 0.000 0.277 48 S C 1.376 176.043 174.600 0.112 0.000 1.315 48 S CA -0.685 57.575 58.200 0.101 0.000 1.050 48 S CB 0.377 63.666 63.200 0.148 0.000 0.918 48 S HN 0.524 nan 8.310 nan 0.000 0.497 49 L N 6.938 128.235 121.223 0.123 0.000 2.137 49 L HA -0.068 4.271 4.340 -0.003 0.000 0.213 49 L C 1.762 178.732 176.870 0.167 0.000 1.085 49 L CA 2.008 56.924 54.840 0.126 0.000 0.760 49 L CB -0.655 41.480 42.059 0.126 0.000 0.893 49 L HN 0.934 nan 8.230 nan 0.000 0.434 50 W N 0.120 121.436 121.300 0.026 0.000 2.494 50 W HA -0.089 4.570 4.660 -0.003 0.000 0.286 50 W C 1.945 178.481 176.519 0.028 0.000 1.218 50 W CA 1.025 58.384 57.345 0.022 0.000 1.313 50 W CB 0.068 29.532 29.460 0.006 0.000 1.105 50 W HN 0.258 nan 8.180 nan 0.000 0.561 51 E N 1.005 121.209 120.200 0.007 0.000 2.031 51 E HA -0.217 4.131 4.350 -0.003 0.000 0.193 51 E C 2.417 178.938 176.600 -0.132 0.000 0.994 51 E CA 2.095 58.441 56.400 -0.090 0.000 0.800 51 E CB -0.619 29.104 29.700 0.038 0.000 0.752 51 E HN 0.199 nan 8.360 nan 0.000 0.447 52 L N 0.118 121.309 121.223 -0.053 0.000 1.971 52 L HA -0.252 4.087 4.340 -0.003 0.000 0.215 52 L C 2.446 179.275 176.870 -0.069 0.000 1.072 52 L CA 1.105 55.922 54.840 -0.039 0.000 0.758 52 L CB -0.721 41.340 42.059 0.004 0.000 0.889 52 L HN 0.113 nan 8.230 nan 0.000 0.433 53 V N -0.000 119.868 119.914 -0.077 0.000 2.231 53 V HA -0.354 3.764 4.120 -0.003 0.000 0.248 53 V C 2.458 178.498 176.094 -0.089 0.000 1.054 53 V CA 1.821 64.091 62.300 -0.050 0.000 1.015 53 V CB -0.506 31.296 31.823 -0.035 0.000 0.638 53 V HN 0.302 nan 8.190 nan 0.000 0.444 54 I N 0.159 120.484 120.570 -0.409 0.000 2.145 54 I HA -0.272 3.896 4.170 -0.003 0.000 0.244 54 I C 2.649 178.691 176.117 -0.125 0.000 1.075 54 I CA 1.913 62.957 61.300 -0.426 0.000 1.332 54 I CB -1.191 36.387 38.000 -0.703 0.000 1.033 54 I HN 0.511 nan 8.210 nan 0.000 0.410 55 E N -0.083 120.048 120.200 -0.114 0.000 2.204 55 E HA -0.239 4.109 4.350 -0.003 0.000 0.195 55 E C 2.044 178.627 176.600 -0.029 0.000 0.990 55 E CA 0.683 57.051 56.400 -0.054 0.000 0.821 55 E CB -0.170 29.500 29.700 -0.050 0.000 0.750 55 E HN 0.550 nan 8.360 nan 0.000 0.477 56 Q N -0.230 119.555 119.800 -0.026 0.000 2.167 56 Q HA -0.072 4.266 4.340 -0.003 0.000 0.202 56 Q C 1.382 177.289 176.000 -0.156 0.000 0.970 56 Q CA 0.862 56.609 55.803 -0.094 0.000 0.855 56 Q CB -0.081 28.577 28.738 -0.134 0.000 0.911 56 Q HN 0.293 nan 8.270 nan 0.000 0.438 57 F N 0.352 120.237 119.950 -0.107 0.000 2.725 57 F HA 0.043 4.568 4.527 -0.003 0.000 0.303 57 F C 1.871 177.625 175.800 -0.077 0.000 1.167 57 F CA 0.279 58.226 58.000 -0.090 0.000 1.403 57 F CB 0.097 39.031 39.000 -0.110 0.000 1.077 57 F HN 0.120 nan 8.300 nan 0.000 0.537 58 E N -0.226 120.002 120.200 0.046 0.000 2.447 58 E HA -0.064 4.284 4.350 -0.003 0.000 0.195 58 E C 0.240 176.838 176.600 -0.003 0.000 1.028 58 E CA -0.071 56.340 56.400 0.018 0.000 0.876 58 E CB 0.205 29.902 29.700 -0.005 0.000 0.885 58 E HN 0.107 nan 8.360 nan 0.000 0.500 59 D N 0.266 120.650 120.400 -0.027 0.000 2.372 59 D HA 0.000 4.639 4.640 -0.003 0.000 0.243 59 D C 1.112 177.398 176.300 -0.023 0.000 1.121 59 D CA 0.036 54.015 54.000 -0.035 0.000 0.898 59 D CB 1.266 42.028 40.800 -0.064 0.000 1.202 59 D HN 0.097 nan 8.370 nan 0.000 0.428 60 L N 2.681 123.893 121.223 -0.019 0.000 1.994 60 L HA -0.153 4.186 4.340 -0.003 0.000 0.208 60 L C 2.302 179.161 176.870 -0.018 0.000 1.071 60 L CA 0.871 55.701 54.840 -0.016 0.000 0.745 60 L CB -0.104 41.943 42.059 -0.021 0.000 0.892 60 L HN 0.507 nan 8.230 nan 0.000 0.431 61 L N -1.185 120.026 121.223 -0.020 0.000 2.017 61 L HA -0.240 4.099 4.340 -0.003 0.000 0.208 61 L C 2.626 179.479 176.870 -0.028 0.000 1.073 61 L CA 1.370 56.199 54.840 -0.018 0.000 0.745 61 L CB -0.568 41.490 42.059 -0.000 0.000 0.894 61 L HN 0.211 nan 8.230 nan 0.000 0.432 62 V N 0.104 119.982 119.914 -0.059 0.000 2.453 62 V HA -0.334 3.784 4.120 -0.003 0.000 0.252 62 V C 2.634 178.724 176.094 -0.007 0.000 1.068 62 V CA 1.796 64.037 62.300 -0.099 0.000 1.070 62 V CB -0.353 31.318 31.823 -0.254 0.000 0.664 62 V HN 0.430 nan 8.190 nan 0.000 0.461 63 R N -0.381 120.130 120.500 0.017 0.000 2.064 63 R HA -0.055 4.283 4.340 -0.003 0.000 0.228 63 R C 2.240 178.558 176.300 0.030 0.000 1.144 63 R CA 1.891 58.021 56.100 0.050 0.000 0.932 63 R CB -0.496 29.823 30.300 0.031 0.000 0.833 63 R HN 0.419 nan 8.270 nan 0.000 0.429 64 I N 1.364 121.937 120.570 0.005 0.000 2.300 64 I HA -0.300 3.868 4.170 -0.003 0.000 0.252 64 I C 2.337 178.456 176.117 0.004 0.000 1.119 64 I CA 1.458 62.754 61.300 -0.007 0.000 1.384 64 I CB -0.949 37.039 38.000 -0.019 0.000 1.062 64 I HN 0.284 nan 8.210 nan 0.000 0.426 65 L N -0.409 120.822 121.223 0.013 0.000 2.162 65 L HA -0.117 4.221 4.340 -0.003 0.000 0.205 65 L C 2.418 179.319 176.870 0.051 0.000 1.086 65 L CA 0.575 55.430 54.840 0.024 0.000 0.778 65 L CB 0.023 42.089 42.059 0.012 0.000 0.928 65 L HN 0.115 nan 8.230 nan 0.000 0.446 66 L N 0.033 121.300 121.223 0.074 0.000 1.970 66 L HA -0.236 4.103 4.340 -0.003 0.000 0.212 66 L C 2.340 179.252 176.870 0.071 0.000 1.071 66 L CA 2.043 56.947 54.840 0.107 0.000 0.751 66 L CB -0.829 41.323 42.059 0.157 0.000 0.889 66 L HN 0.318 nan 8.230 nan 0.000 0.432 67 L N 0.201 121.454 121.223 0.049 0.000 2.021 67 L HA -0.248 4.091 4.340 -0.003 0.000 0.215 67 L C 2.493 179.386 176.870 0.038 0.000 1.074 67 L CA 2.480 57.339 54.840 0.031 0.000 0.760 67 L CB -1.359 40.701 42.059 0.003 0.000 0.889 67 L HN 0.336 nan 8.230 nan 0.000 0.433 68 A N -0.226 122.613 122.820 0.031 0.000 1.873 68 A HA -0.212 4.106 4.320 -0.003 0.000 0.218 68 A C 2.506 180.143 177.584 0.089 0.000 1.193 68 A CA 2.641 54.702 52.037 0.040 0.000 0.629 68 A CB -1.527 17.493 19.000 0.033 0.000 0.826 68 A HN 0.719 nan 8.150 nan 0.000 0.447 69 A N -1.370 121.510 122.820 0.100 0.000 2.032 69 A HA -0.208 4.111 4.320 -0.003 0.000 0.221 69 A C 2.268 179.963 177.584 0.184 0.000 1.165 69 A CA 1.876 53.999 52.037 0.143 0.000 0.645 69 A CB -1.228 17.843 19.000 0.119 0.000 0.807 69 A HN 0.646 nan 8.150 nan 0.000 0.453 70 C N -0.668 118.716 119.300 0.139 0.000 2.466 70 C HA -0.000 4.458 4.460 -0.003 0.000 0.278 70 C C 2.462 177.583 174.990 0.218 0.000 1.288 70 C CA 0.597 59.712 59.018 0.163 0.000 1.722 70 C CB -0.921 26.877 27.740 0.097 0.000 2.017 70 C HN 0.602 nan 8.230 nan 0.000 0.488 71 I N 1.050 121.718 120.570 0.163 0.000 2.394 71 I HA -0.117 4.052 4.170 -0.003 0.000 0.251 71 I C 2.634 178.885 176.117 0.223 0.000 1.136 71 I CA 1.447 62.859 61.300 0.188 0.000 1.425 71 I CB -1.631 36.413 38.000 0.072 0.000 1.079 71 I HN 0.316 nan 8.210 nan 0.000 0.425 72 S N 0.411 116.236 115.700 0.210 0.000 2.387 72 S HA -0.130 4.338 4.470 -0.003 0.000 0.226 72 S C 2.041 176.798 174.600 0.261 0.000 1.026 72 S CA 0.762 59.086 58.200 0.206 0.000 0.972 72 S CB -0.282 63.035 63.200 0.195 0.000 0.814 72 S HN 0.307 nan 8.310 nan 0.000 0.477 73 F N 2.099 122.162 119.950 0.187 0.000 2.084 73 F HA -0.036 4.490 4.527 -0.003 0.000 0.296 73 F C 2.237 178.206 175.800 0.282 0.000 1.111 73 F CA 1.377 59.542 58.000 0.276 0.000 1.224 73 F CB -0.722 38.448 39.000 0.283 0.000 0.991 73 F HN 0.016 nan 8.300 nan 0.000 0.471 74 V N 0.162 120.299 119.914 0.371 0.000 2.252 74 V HA -0.344 3.775 4.120 -0.003 0.000 0.249 74 V C 2.389 178.624 176.094 0.235 0.000 1.056 74 V CA 1.871 64.330 62.300 0.266 0.000 1.022 74 V CB -0.911 31.040 31.823 0.212 0.000 0.641 74 V HN 0.251 nan 8.190 nan 0.000 0.445 75 L N 0.396 121.738 121.223 0.198 0.000 2.046 75 L HA -0.081 4.257 4.340 -0.003 0.000 0.208 75 L C 2.605 179.498 176.870 0.038 0.000 1.077 75 L CA 2.181 57.117 54.840 0.160 0.000 0.747 75 L CB -1.361 40.788 42.059 0.151 0.000 0.896 75 L HN 0.304 nan 8.230 nan 0.000 0.432 76 A N -1.792 120.963 122.820 -0.109 0.000 2.024 76 A HA -0.259 4.059 4.320 -0.003 0.000 0.220 76 A C 2.206 179.455 177.584 -0.558 0.000 1.164 76 A CA 1.600 53.321 52.037 -0.526 0.000 0.643 76 A CB -0.815 17.625 19.000 -0.932 0.000 0.806 76 A HN 0.657 nan 8.150 nan 0.000 0.451 77 W N -1.771 119.361 121.300 -0.279 0.000 2.630 77 W HA 0.149 4.808 4.660 -0.003 0.000 0.275 77 W C 0.458 177.003 176.519 0.044 0.000 1.192 77 W CA 0.249 57.569 57.345 -0.042 0.000 1.410 77 W CB -0.142 29.349 29.460 0.050 0.000 1.075 77 W HN 0.290 nan 8.180 nan 0.000 0.581 78 F N 2.908 122.986 119.950 0.213 0.000 2.818 78 F HA 0.167 4.693 4.527 -0.003 0.000 0.303 78 F C 0.241 176.057 175.800 0.027 0.000 1.250 78 F CA 0.689 58.772 58.000 0.137 0.000 1.409 78 F CB -0.775 38.290 39.000 0.109 0.000 1.183 78 F HN -0.217 nan 8.300 nan 0.000 0.534 79 E N 0.777 120.931 120.200 -0.078 0.000 2.312 79 E HA 0.333 4.681 4.350 -0.003 0.000 0.267 79 E C -1.154 175.338 176.600 -0.180 0.000 0.894 79 E CA -0.653 55.672 56.400 -0.126 0.000 0.773 79 E CB 1.420 31.052 29.700 -0.114 0.000 1.241 79 E HN 0.282 nan 8.360 nan 0.000 0.432 80 E N 1.456 121.565 120.200 -0.152 0.000 2.279 80 E HA 0.557 4.905 4.350 -0.003 0.000 0.252 80 E C -0.698 175.838 176.600 -0.106 0.000 0.894 80 E CA -0.705 55.610 56.400 -0.142 0.000 0.785 80 E CB 1.844 31.459 29.700 -0.143 0.000 1.237 80 E HN 0.620 nan 8.360 nan 0.000 0.418 81 G N 1.513 110.250 108.800 -0.104 0.000 2.523 81 G HA2 0.097 4.056 3.960 -0.003 0.000 0.291 81 G HA3 0.097 4.056 3.960 -0.003 0.000 0.291 81 G C -0.073 174.779 174.900 -0.080 0.000 1.450 81 G CA -0.726 44.325 45.100 -0.082 0.000 0.790 81 G HN 0.378 nan 8.290 nan 0.000 0.496 82 E N -0.335 119.827 120.200 -0.064 0.000 2.489 82 E HA 0.024 4.372 4.350 -0.003 0.000 0.193 82 E C 0.591 177.156 176.600 -0.059 0.000 1.057 82 E CA 0.442 56.807 56.400 -0.059 0.000 0.866 82 E CB 0.487 30.158 29.700 -0.048 0.000 0.916 82 E HN 0.471 nan 8.360 nan 0.000 0.500 83 E N 1.071 121.234 120.200 -0.063 0.000 2.512 83 E HA -0.044 4.304 4.350 -0.003 0.000 0.195 83 E C 1.516 178.074 176.600 -0.071 0.000 1.083 83 E CA 0.467 56.829 56.400 -0.063 0.000 0.873 83 E CB -0.190 29.474 29.700 -0.060 0.000 0.897 83 E HN 0.178 nan 8.360 nan 0.000 0.514 84 T N 0.165 114.674 114.554 -0.076 0.000 2.869 84 T HA -0.208 4.140 4.350 -0.003 0.000 0.270 84 T C 1.664 176.339 174.700 -0.042 0.000 1.082 84 T CA 0.889 62.946 62.100 -0.072 0.000 1.123 84 T CB -0.286 68.535 68.868 -0.078 0.000 0.856 84 T HN 0.272 nan 8.240 nan 0.000 0.499 85 I N 0.881 121.423 120.570 -0.048 0.000 2.700 85 I HA 0.036 4.205 4.170 -0.003 0.000 0.261 85 I C 1.500 177.591 176.117 -0.043 0.000 1.219 85 I CA 1.514 62.788 61.300 -0.044 0.000 1.463 85 I CB -0.134 37.837 38.000 -0.048 0.000 1.092 85 I HN 0.274 nan 8.210 nan 0.000 0.452 86 T N -1.015 113.510 114.554 -0.047 0.000 3.884 86 T HA 0.473 4.821 4.350 -0.003 0.000 0.284 86 T C 0.770 175.437 174.700 -0.054 0.000 0.961 86 T CA 0.149 62.219 62.100 -0.049 0.000 1.071 86 T CB -0.495 68.321 68.868 -0.086 0.000 1.121 86 T HN 0.228 nan 8.240 nan 0.000 0.496 87 A N -0.086 122.696 122.820 -0.063 0.000 2.275 87 A HA 0.477 4.795 4.320 -0.003 0.000 0.212 87 A C 0.868 178.227 177.584 -0.375 0.000 1.201 87 A CA 0.240 52.155 52.037 -0.203 0.000 0.843 87 A CB -0.319 18.520 19.000 -0.267 0.000 0.873 87 A HN 0.581 nan 8.150 nan 0.000 0.492 88 F N -2.259 117.680 119.950 -0.018 0.000 2.746 88 F HA 0.147 4.673 4.527 -0.003 0.000 0.320 88 F C 1.754 177.639 175.800 0.140 0.000 1.097 88 F CA 0.035 58.067 58.000 0.053 0.000 1.195 88 F CB 0.507 39.523 39.000 0.028 0.000 1.056 88 F HN -0.012 nan 8.300 nan 0.000 0.562 89 V N 0.279 120.314 119.914 0.201 0.000 2.287 89 V HA -0.323 3.795 4.120 -0.003 0.000 0.248 89 V C 2.389 178.648 176.094 0.274 0.000 1.053 89 V CA 2.436 64.869 62.300 0.222 0.000 1.027 89 V CB -0.441 31.420 31.823 0.063 0.000 0.646 89 V HN 0.399 nan 8.190 nan 0.000 0.447 90 E N 0.899 121.204 120.200 0.176 0.000 2.007 90 E HA -0.213 4.136 4.350 -0.003 0.000 0.203 90 E C -0.227 176.512 176.600 0.231 0.000 1.020 90 E CA 2.113 58.614 56.400 0.169 0.000 0.845 90 E CB -0.971 28.794 29.700 0.108 0.000 0.779 90 E HN 0.484 nan 8.360 nan 0.000 0.466 91 P HA -0.162 nan 4.420 nan 0.000 0.223 91 P C 1.217 178.748 177.300 0.384 0.000 1.144 91 P CA 1.024 64.335 63.100 0.351 0.000 0.783 91 P CB -0.180 31.824 31.700 0.508 0.000 0.771 92 F N 1.079 121.189 119.950 0.267 0.000 2.094 92 F HA -0.089 4.437 4.527 -0.003 0.000 0.291 92 F C 2.182 178.076 175.800 0.156 0.000 1.109 92 F CA 1.083 59.214 58.000 0.218 0.000 1.221 92 F CB -0.943 38.185 39.000 0.213 0.000 1.014 92 F HN -0.344 nan 8.300 nan 0.000 0.473 93 V N 1.320 121.303 119.914 0.115 0.000 2.332 93 V HA -0.329 3.789 4.120 -0.003 0.000 0.248 93 V C 2.518 178.596 176.094 -0.027 0.000 1.055 93 V CA 2.117 64.413 62.300 -0.007 0.000 1.038 93 V CB -0.701 31.219 31.823 0.161 0.000 0.651 93 V HN 0.397 nan 8.190 nan 0.000 0.450 94 I N -0.285 120.317 120.570 0.054 0.000 2.099 94 I HA -0.323 3.845 4.170 -0.003 0.000 0.239 94 I C 2.503 178.630 176.117 0.016 0.000 1.066 94 I CA 2.235 63.568 61.300 0.053 0.000 1.324 94 I CB -0.439 37.617 38.000 0.094 0.000 1.037 94 I HN 0.343 nan 8.210 nan 0.000 0.401 95 L N 0.650 121.879 121.223 0.010 0.000 2.042 95 L HA -0.244 4.094 4.340 -0.003 0.000 0.210 95 L C 2.490 179.327 176.870 -0.054 0.000 1.076 95 L CA 1.498 56.341 54.840 0.004 0.000 0.749 95 L CB -0.291 41.768 42.059 -0.001 0.000 0.893 95 L HN 0.224 nan 8.230 nan 0.000 0.432 96 L N -0.090 121.010 121.223 -0.205 0.000 1.955 96 L HA -0.282 4.057 4.340 -0.003 0.000 0.213 96 L C 2.580 179.393 176.870 -0.095 0.000 1.072 96 L CA 2.142 56.845 54.840 -0.229 0.000 0.755 96 L CB -0.349 41.459 42.059 -0.418 0.000 0.888 96 L HN 0.307 nan 8.230 nan 0.000 0.432 97 I N -0.136 120.390 120.570 -0.074 0.000 2.185 97 I HA -0.407 3.762 4.170 -0.003 0.000 0.246 97 I C 2.498 178.591 176.117 -0.040 0.000 1.088 97 I CA 1.602 62.876 61.300 -0.043 0.000 1.347 97 I CB -0.431 37.556 38.000 -0.023 0.000 1.041 97 I HN 0.383 nan 8.210 nan 0.000 0.415 98 L N 0.113 121.325 121.223 -0.018 0.000 2.127 98 L HA -0.233 4.105 4.340 -0.003 0.000 0.211 98 L C 2.428 179.304 176.870 0.011 0.000 1.089 98 L CA 1.452 56.280 54.840 -0.020 0.000 0.757 98 L CB -0.390 41.733 42.059 0.107 0.000 0.899 98 L HN 0.252 nan 8.230 nan 0.000 0.434 99 I N -0.372 120.242 120.570 0.073 0.000 2.130 99 I HA -0.231 3.937 4.170 -0.003 0.000 0.232 99 I C 2.806 178.935 176.117 0.020 0.000 1.064 99 I CA 1.104 62.462 61.300 0.097 0.000 1.338 99 I CB -0.577 37.459 38.000 0.061 0.000 1.084 99 I HN 0.132 nan 8.210 nan 0.000 0.404 100 A N 0.957 123.770 122.820 -0.012 0.000 1.954 100 A HA -0.318 4.000 4.320 -0.003 0.000 0.222 100 A C 2.027 179.584 177.584 -0.045 0.000 1.199 100 A CA 2.650 54.667 52.037 -0.034 0.000 0.657 100 A CB -0.990 17.983 19.000 -0.044 0.000 0.823 100 A HN 0.508 nan 8.150 nan 0.000 0.463 101 N N -0.306 118.358 118.700 -0.059 0.000 2.216 101 N HA 0.006 4.744 4.740 -0.003 0.000 0.183 101 N C 1.876 177.335 175.510 -0.085 0.000 1.017 101 N CA 1.479 54.483 53.050 -0.076 0.000 0.861 101 N CB -0.579 37.848 38.487 -0.100 0.000 0.986 101 N HN 0.484 nan 8.380 nan 0.000 0.428 102 A N 0.845 123.598 122.820 -0.111 0.000 1.902 102 A HA -0.062 4.257 4.320 -0.003 0.000 0.217 102 A C 2.266 179.839 177.584 -0.017 0.000 1.181 102 A CA 0.902 52.871 52.037 -0.113 0.000 0.623 102 A CB -0.662 18.272 19.000 -0.110 0.000 0.818 102 A HN 0.206 nan 8.150 nan 0.000 0.443 103 I N -0.435 120.141 120.570 0.009 0.000 2.099 103 I HA -0.252 3.916 4.170 -0.003 0.000 0.239 103 I C 2.358 178.510 176.117 0.059 0.000 1.066 103 I CA 1.465 62.784 61.300 0.033 0.000 1.324 103 I CB -0.578 37.423 38.000 0.003 0.000 1.037 103 I HN 0.145 nan 8.210 nan 0.000 0.401 104 V N 1.255 121.185 119.914 0.026 0.000 2.370 104 V HA -0.323 3.795 4.120 -0.003 0.000 0.252 104 V C 2.513 178.692 176.094 0.142 0.000 1.068 104 V CA 2.329 64.678 62.300 0.082 0.000 1.061 104 V CB -1.626 30.212 31.823 0.025 0.000 0.656 104 V HN 0.664 nan 8.190 nan 0.000 0.455 105 G N -0.620 108.216 108.800 0.059 0.000 2.402 105 G HA2 -0.167 3.792 3.960 -0.003 0.000 0.216 105 G HA3 -0.167 3.792 3.960 -0.003 0.000 0.216 105 G C 1.495 176.432 174.900 0.060 0.000 1.162 105 G CA 1.063 46.185 45.100 0.038 0.000 0.777 105 G HN 0.452 nan 8.290 nan 0.000 0.539 106 V N -0.747 119.213 119.914 0.078 0.000 3.380 106 V HA 0.026 4.144 4.120 -0.003 0.000 0.268 106 V C 1.475 177.665 176.094 0.159 0.000 1.168 106 V CA 0.156 62.508 62.300 0.086 0.000 1.156 106 V CB -0.463 31.406 31.823 0.077 0.000 0.785 106 V HN 0.548 nan 8.190 nan 0.000 0.487 107 W N 2.001 123.291 121.300 -0.017 0.000 2.979 107 W HA 0.201 4.859 4.660 -0.003 0.000 0.425 107 W C 0.945 177.455 176.519 -0.015 0.000 0.884 107 W CA -0.272 57.066 57.345 -0.013 0.000 2.044 107 W CB -0.285 29.166 29.460 -0.014 0.000 0.872 107 W HN 0.237 nan 8.180 nan 0.000 0.759 108 Q N 0.017 119.787 119.800 -0.051 0.000 2.112 108 Q HA 0.143 4.481 4.340 -0.003 0.000 0.222 108 Q C 0.640 176.576 176.000 -0.107 0.000 0.798 108 Q CA 0.152 55.871 55.803 -0.141 0.000 1.060 108 Q CB 0.786 29.480 28.738 -0.075 0.000 1.184 108 Q HN 0.535 nan 8.270 nan 0.000 0.475 109 E N -0.551 119.605 120.200 -0.074 0.000 2.629 109 E HA 0.088 4.436 4.350 -0.003 0.000 0.203 109 E C 1.357 177.946 176.600 -0.018 0.000 0.939 109 E CA -0.045 56.329 56.400 -0.043 0.000 1.439 109 E CB 0.848 30.540 29.700 -0.015 0.000 1.490 109 E HN -0.051 nan 8.360 nan 0.000 0.804 110 R N 2.166 122.673 120.500 0.012 0.000 2.103 110 R HA -0.073 4.265 4.340 -0.003 0.000 0.234 110 R C 0.256 176.568 176.300 0.021 0.000 1.132 110 R CA 1.688 57.823 56.100 0.058 0.000 0.925 110 R CB -0.315 30.084 30.300 0.165 0.000 0.842 110 R HN 0.171 nan 8.270 nan 0.000 0.430 111 N N -0.185 118.504 118.700 -0.019 0.000 2.518 111 N HA 0.358 5.096 4.740 -0.003 0.000 0.254 111 N C -1.430 174.035 175.510 -0.075 0.000 0.979 111 N CA -0.095 52.936 53.050 -0.031 0.000 0.930 111 N CB 2.051 40.534 38.487 -0.006 0.000 1.152 111 N HN 0.241 nan 8.380 nan 0.000 0.505 112 A N 1.789 124.575 122.820 -0.058 0.000 3.208 112 A HA 0.219 4.537 4.320 -0.003 0.000 0.252 112 A C -0.904 176.650 177.584 -0.050 0.000 1.225 112 A CA -0.789 51.208 52.037 -0.067 0.000 0.980 112 A CB -0.340 18.611 19.000 -0.082 0.000 1.414 112 A HN 0.533 nan 8.150 nan 0.000 0.721 113 E N 1.076 121.250 120.200 -0.044 0.000 2.752 113 E HA 0.201 4.549 4.350 -0.003 0.000 0.241 113 E C 0.311 176.882 176.600 -0.047 0.000 1.016 113 E CA 0.605 56.979 56.400 -0.042 0.000 0.952 113 E CB -0.362 29.312 29.700 -0.042 0.000 0.921 113 E HN 0.755 nan 8.360 nan 0.000 0.515 114 N N 1.325 119.998 118.700 -0.046 0.000 2.489 114 N HA 0.466 5.204 4.740 -0.003 0.000 0.284 114 N C 0.622 176.101 175.510 -0.052 0.000 1.158 114 N CA -0.299 52.724 53.050 -0.045 0.000 0.965 114 N CB 1.240 39.703 38.487 -0.039 0.000 1.195 114 N HN 0.304 nan 8.380 nan 0.000 0.506 115 A N 1.280 124.071 122.820 -0.048 0.000 1.865 115 A HA -0.158 4.160 4.320 -0.003 0.000 0.217 115 A C 1.896 179.446 177.584 -0.057 0.000 1.191 115 A CA 1.345 53.350 52.037 -0.054 0.000 0.623 115 A CB -1.273 17.705 19.000 -0.037 0.000 0.826 115 A HN 0.784 nan 8.150 nan 0.000 0.444 116 I N -0.457 120.089 120.570 -0.041 0.000 2.479 116 I HA -0.267 3.901 4.170 -0.003 0.000 0.258 116 I C 2.090 178.182 176.117 -0.042 0.000 1.165 116 I CA 1.387 62.666 61.300 -0.034 0.000 1.422 116 I CB -0.329 37.657 38.000 -0.024 0.000 1.087 116 I HN 0.374 nan 8.210 nan 0.000 0.441 117 E N 0.387 120.555 120.200 -0.053 0.000 2.244 117 E HA 0.135 4.483 4.350 -0.003 0.000 0.196 117 E C 2.256 178.802 176.600 -0.089 0.000 0.939 117 E CA 0.842 57.208 56.400 -0.057 0.000 0.884 117 E CB -0.157 29.517 29.700 -0.044 0.000 0.850 117 E HN 0.349 nan 8.360 nan 0.000 0.481 118 A N 1.468 124.222 122.820 -0.111 0.000 2.186 118 A HA -0.086 4.232 4.320 -0.003 0.000 0.219 118 A C 2.150 179.560 177.584 -0.291 0.000 1.159 118 A CA 0.703 52.635 52.037 -0.176 0.000 0.680 118 A CB -0.701 18.200 19.000 -0.164 0.000 0.787 118 A HN 0.158 nan 8.150 nan 0.000 0.467 119 L N -1.488 119.606 121.223 -0.215 0.000 2.362 119 L HA -0.118 4.221 4.340 -0.003 0.000 0.219 119 L C 2.019 178.786 176.870 -0.172 0.000 1.134 119 L CA 0.931 55.638 54.840 -0.222 0.000 0.807 119 L CB -0.192 41.822 42.059 -0.075 0.000 0.927 119 L HN 0.201 nan 8.230 nan 0.000 0.447 120 K N 0.139 120.460 120.400 -0.132 0.000 2.365 120 K HA -0.099 4.219 4.320 -0.003 0.000 0.199 120 K C 1.719 178.273 176.600 -0.077 0.000 1.045 120 K CA 0.611 56.856 56.287 -0.069 0.000 0.962 120 K CB -0.055 32.417 32.500 -0.047 0.000 0.759 120 K HN 0.283 nan 8.250 nan 0.000 0.469 121 E N -0.766 119.321 120.200 -0.189 0.000 2.265 121 E HA -0.165 4.184 4.350 -0.003 0.000 0.196 121 E C 0.818 177.433 176.600 0.024 0.000 0.996 121 E CA 0.890 57.199 56.400 -0.151 0.000 0.832 121 E CB -0.036 29.490 29.700 -0.290 0.000 0.756 121 E HN 0.345 nan 8.360 nan 0.000 0.491 122 Y N 0.998 121.302 120.300 0.007 0.000 2.503 122 Y HA 0.084 4.632 4.550 -0.003 0.000 0.278 122 Y C 0.722 176.631 175.900 0.014 0.000 1.111 122 Y CA -0.086 58.020 58.100 0.010 0.000 1.270 122 Y CB -0.147 38.319 38.460 0.010 0.000 1.063 122 Y HN 0.014 nan 8.280 nan 0.000 0.548 123 E N 3.514 123.802 120.200 0.146 0.000 2.259 123 E HA 0.236 4.585 4.350 -0.003 0.000 0.281 123 E C -2.612 174.031 176.600 0.071 0.000 1.037 123 E CA -2.002 54.454 56.400 0.094 0.000 0.854 123 E CB 1.042 30.782 29.700 0.066 0.000 1.051 123 E HN 0.038 nan 8.360 nan 0.000 0.409 124 P HA 0.034 nan 4.420 nan 0.000 0.279 124 P C 0.026 177.344 177.300 0.031 0.000 1.276 124 P CA -0.327 62.799 63.100 0.043 0.000 0.801 124 P CB 1.349 33.070 31.700 0.034 0.000 1.127 125 E N -0.584 119.630 120.200 0.023 0.000 2.140 125 E HA 0.029 4.377 4.350 -0.003 0.000 0.191 125 E C 0.198 176.806 176.600 0.014 0.000 0.973 125 E CA 0.762 57.172 56.400 0.018 0.000 0.829 125 E CB 0.150 29.859 29.700 0.014 0.000 0.781 125 E HN 0.316 nan 8.360 nan 0.000 0.466 126 M N -0.140 119.465 119.600 0.008 0.000 2.662 126 M HA 0.519 4.998 4.480 -0.003 0.000 0.310 126 M C 0.168 176.464 176.300 -0.007 0.000 1.204 126 M CA -0.674 54.626 55.300 -0.001 0.000 0.891 126 M CB 1.618 34.214 32.600 -0.007 0.000 1.732 126 M HN 0.012 nan 8.290 nan 0.000 0.467 127 G N 0.936 109.725 108.800 -0.019 0.000 2.694 127 G HA2 0.718 4.676 3.960 -0.003 0.000 0.290 127 G HA3 0.718 4.676 3.960 -0.003 0.000 0.290 127 G C -1.570 173.295 174.900 -0.059 0.000 1.386 127 G CA -0.692 44.389 45.100 -0.033 0.000 0.872 127 G HN 0.550 nan 8.290 nan 0.000 0.475 128 K N 0.182 120.531 120.400 -0.085 0.000 2.358 128 K HA 0.599 4.917 4.320 -0.003 0.000 0.260 128 K C -0.417 176.065 176.600 -0.196 0.000 0.956 128 K CA -0.665 55.535 56.287 -0.145 0.000 0.834 128 K CB 2.225 34.630 32.500 -0.159 0.000 1.102 128 K HN 0.532 nan 8.250 nan 0.000 0.431 129 V N -0.332 119.445 119.914 -0.228 0.000 3.074 129 V HA 0.567 4.686 4.120 -0.003 0.000 0.314 129 V C -1.376 174.523 176.094 -0.326 0.000 1.117 129 V CA -0.964 61.206 62.300 -0.217 0.000 1.014 129 V CB 1.395 33.161 31.823 -0.095 0.000 1.057 129 V HN 0.561 nan 8.190 nan 0.000 0.438 130 Y N 1.393 121.678 120.300 -0.025 0.000 2.388 130 Y HA 0.702 5.250 4.550 -0.003 0.000 0.328 130 Y C 0.483 176.368 175.900 -0.026 0.000 0.963 130 Y CA -0.593 57.493 58.100 -0.022 0.000 1.240 130 Y CB 1.481 39.929 38.460 -0.021 0.000 1.118 130 Y HN 0.570 nan 8.280 nan 0.000 0.484 131 R N 1.087 121.656 120.500 0.116 0.000 2.664 131 R HA 0.614 4.952 4.340 -0.003 0.000 0.286 131 R C 0.886 177.216 176.300 0.049 0.000 0.967 131 R CA -0.472 55.661 56.100 0.055 0.000 0.933 131 R CB 1.680 31.988 30.300 0.015 0.000 1.146 131 R HN 0.766 nan 8.270 nan 0.000 0.468 132 A N 1.722 124.555 122.820 0.023 0.000 2.104 132 A HA -0.207 4.111 4.320 -0.003 0.000 0.223 132 A C 1.117 178.709 177.584 0.014 0.000 1.164 132 A CA 2.038 54.083 52.037 0.013 0.000 0.659 132 A CB -0.556 18.443 19.000 -0.002 0.000 0.808 132 A HN 0.857 nan 8.150 nan 0.000 0.465 133 D N -1.479 118.930 120.400 0.015 0.000 2.413 133 D HA 0.216 4.855 4.640 -0.003 0.000 0.237 133 D C 0.479 176.792 176.300 0.022 0.000 1.171 133 D CA 0.084 54.092 54.000 0.013 0.000 0.839 133 D CB -0.046 40.758 40.800 0.007 0.000 0.950 133 D HN 0.444 nan 8.370 nan 0.000 0.499 134 R N -1.407 119.114 120.500 0.035 0.000 2.829 134 R HA 0.101 4.439 4.340 -0.003 0.000 0.283 134 R C -0.171 176.168 176.300 0.064 0.000 1.013 134 R CA -0.592 55.536 56.100 0.046 0.000 0.848 134 R CB 0.745 31.074 30.300 0.049 0.000 1.291 134 R HN -0.105 nan 8.270 nan 0.000 0.496 135 K N 0.271 120.710 120.400 0.064 0.000 2.262 135 K HA 0.226 4.544 4.320 -0.003 0.000 0.200 135 K C 0.383 177.060 176.600 0.128 0.000 1.058 135 K CA 1.053 57.375 56.287 0.058 0.000 0.974 135 K CB 0.284 32.801 32.500 0.028 0.000 0.910 135 K HN 0.438 nan 8.250 nan 0.000 0.484 136 S N 0.022 115.808 115.700 0.142 0.000 2.669 136 S HA 0.297 4.766 4.470 -0.003 0.000 0.270 136 S C -0.051 174.686 174.600 0.228 0.000 1.225 136 S CA -0.600 57.723 58.200 0.206 0.000 0.991 136 S CB 1.268 64.528 63.200 0.101 0.000 0.987 136 S HN 0.128 nan 8.310 nan 0.000 0.552 137 V N 2.768 122.761 119.914 0.132 0.000 2.637 137 V HA 0.333 4.451 4.120 -0.003 0.000 0.296 137 V C -0.167 175.820 176.094 -0.179 0.000 1.046 137 V CA -0.028 62.057 62.300 -0.359 0.000 1.066 137 V CB 0.420 31.926 31.823 -0.529 0.000 0.968 137 V HN 1.007 nan 8.190 nan 0.000 0.483 138 Q N 5.871 125.556 119.800 -0.192 0.000 2.342 138 Q HA 0.603 4.941 4.340 -0.003 0.000 0.267 138 Q C -0.767 175.165 176.000 -0.113 0.000 1.038 138 Q CA -1.017 54.724 55.803 -0.103 0.000 0.832 138 Q CB 1.747 30.450 28.738 -0.058 0.000 1.323 138 Q HN 0.866 nan 8.270 nan 0.000 0.448 139 R N 2.307 122.762 120.500 -0.075 0.000 2.280 139 R HA 0.473 4.811 4.340 -0.003 0.000 0.326 139 R C -0.178 176.098 176.300 -0.041 0.000 1.080 139 R CA -0.456 55.605 56.100 -0.065 0.000 1.002 139 R CB -0.000 30.269 30.300 -0.051 0.000 1.136 139 R HN 0.748 nan 8.270 nan 0.000 0.509 140 I N -1.511 119.035 120.570 -0.039 0.000 3.062 140 I HA 0.461 4.630 4.170 -0.003 0.000 0.318 140 I C -0.210 175.902 176.117 -0.007 0.000 1.026 140 I CA -1.519 59.770 61.300 -0.019 0.000 1.096 140 I CB 0.949 38.939 38.000 -0.016 0.000 1.348 140 I HN 0.215 nan 8.210 nan 0.000 0.543 141 K N 2.292 122.697 120.400 0.008 0.000 2.416 141 K HA 0.150 4.469 4.320 -0.003 0.000 0.283 141 K C 0.880 177.495 176.600 0.025 0.000 1.037 141 K CA 0.372 56.670 56.287 0.019 0.000 0.995 141 K CB 1.210 33.729 32.500 0.032 0.000 0.938 141 K HN 0.835 nan 8.250 nan 0.000 0.475 142 A N 4.065 126.897 122.820 0.021 0.000 1.986 142 A HA -0.239 4.080 4.320 -0.003 0.000 0.220 142 A C 2.179 179.790 177.584 0.045 0.000 1.171 142 A CA 1.839 53.890 52.037 0.023 0.000 0.640 142 A CB -0.368 18.646 19.000 0.023 0.000 0.811 142 A HN 0.833 nan 8.150 nan 0.000 0.451 143 R N -0.139 120.397 120.500 0.059 0.000 2.139 143 R HA -0.165 4.173 4.340 -0.003 0.000 0.243 143 R C 0.205 176.594 176.300 0.148 0.000 1.145 143 R CA 1.850 58.008 56.100 0.097 0.000 0.976 143 R CB -0.229 30.120 30.300 0.082 0.000 0.866 143 R HN 0.433 nan 8.270 nan 0.000 0.449 144 D N 0.241 120.705 120.400 0.108 0.000 2.358 144 D HA 0.117 4.755 4.640 -0.003 0.000 0.224 144 D C 0.115 176.429 176.300 0.024 0.000 1.123 144 D CA 0.116 54.165 54.000 0.083 0.000 0.833 144 D CB 0.260 41.108 40.800 0.078 0.000 0.946 144 D HN 0.293 nan 8.370 nan 0.000 0.505 145 I N 1.503 122.085 120.570 0.021 0.000 2.472 145 I HA 0.151 4.320 4.170 -0.003 0.000 0.290 145 I C 0.543 176.659 176.117 -0.002 0.000 1.016 145 I CA -0.729 60.569 61.300 -0.003 0.000 1.348 145 I CB 1.498 39.490 38.000 -0.014 0.000 1.417 145 I HN -0.242 nan 8.210 nan 0.000 0.521 146 V N 3.443 123.352 119.914 -0.007 0.000 3.001 146 V HA 0.623 4.741 4.120 -0.003 0.000 0.314 146 V C -2.816 173.230 176.094 -0.081 0.000 1.099 146 V CA -2.766 59.540 62.300 0.011 0.000 0.989 146 V CB 1.611 33.511 31.823 0.129 0.000 1.040 146 V HN 0.460 nan 8.190 nan 0.000 0.434 147 P HA 0.399 nan 4.420 nan 0.000 0.264 147 P C 0.903 177.811 177.300 -0.653 0.000 1.193 147 P CA 1.809 64.644 63.100 -0.441 0.000 0.763 147 P CB 0.794 32.159 31.700 -0.558 0.000 0.810 148 G N 2.113 110.220 108.800 -1.155 0.000 2.259 148 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.217 148 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.217 148 G C -0.001 174.692 174.900 -0.344 0.000 1.001 148 G CA 0.133 44.563 45.100 -1.116 0.000 0.627 148 G HN 0.666 nan 8.290 nan 0.000 0.501 149 D N 0.691 120.973 120.400 -0.196 0.000 2.411 149 D HA 0.570 5.208 4.640 -0.003 0.000 0.251 149 D C 0.133 176.383 176.300 -0.084 0.000 1.201 149 D CA -0.807 53.135 54.000 -0.096 0.000 0.996 149 D CB 0.713 41.481 40.800 -0.054 0.000 1.101 149 D HN 0.131 nan 8.370 nan 0.000 0.504 150 I N 0.368 120.929 120.570 -0.015 0.000 2.331 150 I HA 0.273 4.442 4.170 -0.003 0.000 0.292 150 I C 0.045 176.181 176.117 0.031 0.000 0.998 150 I CA -0.594 60.726 61.300 0.033 0.000 1.267 150 I CB 1.341 39.411 38.000 0.116 0.000 1.386 150 I HN 0.411 nan 8.210 nan 0.000 0.476 151 V N 2.623 122.542 119.914 0.008 0.000 3.113 151 V HA 0.745 4.863 4.120 -0.003 0.000 0.316 151 V C -0.641 175.451 176.094 -0.004 0.000 1.125 151 V CA -0.787 61.494 62.300 -0.033 0.000 1.026 151 V CB 1.915 33.709 31.823 -0.049 0.000 1.080 151 V HN 0.763 nan 8.190 nan 0.000 0.444 152 E N 0.689 120.858 120.200 -0.050 0.000 2.256 152 E HA 0.705 5.053 4.350 -0.003 0.000 0.268 152 E C -1.522 175.059 176.600 -0.030 0.000 0.877 152 E CA -0.787 55.603 56.400 -0.017 0.000 0.757 152 E CB 2.359 32.039 29.700 -0.034 0.000 1.183 152 E HN 1.100 nan 8.360 nan 0.000 0.418 153 V N 0.507 120.413 119.914 -0.013 0.000 2.789 153 V HA 1.019 5.138 4.120 -0.003 0.000 0.311 153 V C -0.705 175.384 176.094 -0.008 0.000 1.073 153 V CA -0.549 61.741 62.300 -0.017 0.000 0.921 153 V CB 1.150 32.961 31.823 -0.021 0.000 1.009 153 V HN 0.776 nan 8.190 nan 0.000 0.426 154 A N 2.801 125.616 122.820 -0.009 0.000 2.532 154 A HA 0.866 5.184 4.320 -0.003 0.000 0.290 154 A C -0.248 177.333 177.584 -0.005 0.000 1.143 154 A CA -0.415 51.619 52.037 -0.004 0.000 0.728 154 A CB 1.847 20.847 19.000 -0.000 0.000 1.317 154 A HN 2.205 nan 8.150 nan 0.000 0.414 155 V N 1.263 121.175 119.914 -0.003 0.000 2.678 155 V HA 0.363 4.482 4.120 -0.003 0.000 0.304 155 V C 1.278 177.371 176.094 -0.003 0.000 1.086 155 V CA 2.651 64.950 62.300 -0.003 0.000 1.246 155 V CB 0.078 31.901 31.823 -0.001 0.000 0.861 155 V HN 2.673 nan 8.190 nan 0.000 0.491 156 G N 4.291 113.089 108.800 -0.003 0.000 2.259 156 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.217 156 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.217 156 G C -0.010 174.889 174.900 -0.002 0.000 1.001 156 G CA 0.109 45.208 45.100 -0.002 0.000 0.627 156 G HN 0.784 nan 8.290 nan 0.000 0.501 157 D N 0.986 121.383 120.400 -0.005 0.000 2.362 157 D HA 0.412 5.051 4.640 -0.003 0.000 0.242 157 D C 0.364 176.662 176.300 -0.003 0.000 1.132 157 D CA 0.292 54.289 54.000 -0.005 0.000 0.907 157 D CB 1.395 42.188 40.800 -0.010 0.000 1.195 157 D HN 0.450 nan 8.370 nan 0.000 0.429 158 K N 1.320 121.721 120.400 0.002 0.000 2.293 158 K HA 0.276 4.594 4.320 -0.003 0.000 0.267 158 K C -0.875 175.729 176.600 0.007 0.000 1.010 158 K CA -0.707 55.584 56.287 0.007 0.000 0.875 158 K CB 0.828 33.341 32.500 0.022 0.000 1.106 158 K HN 0.098 nan 8.250 nan 0.000 0.450 159 V N 7.372 127.289 119.914 0.005 0.000 2.509 159 V HA 0.009 4.128 4.120 -0.003 0.000 0.297 159 V C -1.290 174.814 176.094 0.016 0.000 1.014 159 V CA -0.780 61.522 62.300 0.003 0.000 1.127 159 V CB 0.666 32.490 31.823 0.002 0.000 0.925 159 V HN 0.871 nan 8.190 nan 0.000 0.480 160 P HA 0.276 nan 4.420 nan 0.000 0.249 160 P C 0.063 177.373 177.300 0.018 0.000 1.229 160 P CA 0.783 63.892 63.100 0.015 0.000 0.788 160 P CB 0.626 32.328 31.700 0.003 0.000 1.072 161 A N -0.691 122.136 122.820 0.012 0.000 2.490 161 A HA 0.401 4.719 4.320 -0.003 0.000 0.292 161 A C -1.758 175.830 177.584 0.007 0.000 1.047 161 A CA -0.640 51.405 52.037 0.012 0.000 0.632 161 A CB -0.148 18.844 19.000 -0.013 0.000 1.323 161 A HN -0.201 nan 8.150 nan 0.000 0.448 162 D N 1.123 121.532 120.400 0.014 0.000 2.352 162 D HA 0.521 5.159 4.640 -0.003 0.000 0.245 162 D C -0.551 175.719 176.300 -0.050 0.000 1.224 162 D CA 0.815 54.817 54.000 0.004 0.000 0.879 162 D CB 0.072 40.909 40.800 0.060 0.000 1.057 162 D HN 0.398 nan 8.370 nan 0.000 0.491 163 I N 2.392 122.908 120.570 -0.089 0.000 2.404 163 I HA 0.274 4.443 4.170 -0.003 0.000 0.293 163 I C 0.484 176.535 176.117 -0.109 0.000 0.992 163 I CA -1.000 60.244 61.300 -0.093 0.000 1.149 163 I CB 1.436 39.386 38.000 -0.082 0.000 1.315 163 I HN -0.061 nan 8.210 nan 0.000 0.446 164 R N 6.724 127.181 120.500 -0.073 0.000 2.234 164 R HA 0.458 4.796 4.340 -0.003 0.000 0.324 164 R C -0.803 175.470 176.300 -0.045 0.000 1.054 164 R CA -0.686 55.383 56.100 -0.053 0.000 0.912 164 R CB 0.432 30.724 30.300 -0.013 0.000 1.030 164 R HN 0.559 nan 8.270 nan 0.000 0.455 165 I N 6.225 126.767 120.570 -0.048 0.000 2.471 165 I HA -0.052 4.116 4.170 -0.003 0.000 0.286 165 I C 1.538 177.649 176.117 -0.011 0.000 1.079 165 I CA 0.010 61.291 61.300 -0.031 0.000 1.398 165 I CB 0.786 38.766 38.000 -0.034 0.000 1.403 165 I HN 0.495 nan 8.210 nan 0.000 0.530 166 L N 4.541 125.761 121.223 -0.005 0.000 2.145 166 L HA 0.089 4.427 4.340 -0.003 0.000 0.201 166 L C 0.767 177.640 176.870 0.005 0.000 1.075 166 L CA 0.662 55.505 54.840 0.004 0.000 0.773 166 L CB -0.087 41.976 42.059 0.006 0.000 0.936 166 L HN 0.812 nan 8.230 nan 0.000 0.451 167 S N -1.210 114.493 115.700 0.005 0.000 2.537 167 S HA 0.522 4.990 4.470 -0.003 0.000 0.271 167 S C -0.983 173.622 174.600 0.007 0.000 1.148 167 S CA -0.786 57.419 58.200 0.007 0.000 0.868 167 S CB 1.598 64.800 63.200 0.003 0.000 1.115 167 S HN 0.027 nan 8.310 nan 0.000 0.461 168 I N 3.435 124.011 120.570 0.010 0.000 2.307 168 I HA 0.383 4.551 4.170 -0.003 0.000 0.289 168 I C 0.872 176.994 176.117 0.008 0.000 1.021 168 I CA -0.713 60.591 61.300 0.006 0.000 1.224 168 I CB 1.396 39.399 38.000 0.004 0.000 1.376 168 I HN 0.626 nan 8.210 nan 0.000 0.470 169 K N 3.144 123.549 120.400 0.008 0.000 2.076 169 K HA 0.031 4.349 4.320 -0.003 0.000 0.204 169 K C 1.115 177.719 176.600 0.008 0.000 1.051 169 K CA 0.653 56.945 56.287 0.009 0.000 0.949 169 K CB -0.407 32.102 32.500 0.015 0.000 0.726 169 K HN 0.696 nan 8.250 nan 0.000 0.443 170 S N 0.119 115.823 115.700 0.006 0.000 2.626 170 S HA 0.077 4.546 4.470 -0.003 0.000 0.257 170 S C 1.337 175.941 174.600 0.007 0.000 1.288 170 S CA -0.081 58.123 58.200 0.006 0.000 0.980 170 S CB 0.526 63.728 63.200 0.003 0.000 0.975 170 S HN 0.180 nan 8.310 nan 0.000 0.577 171 T N 0.783 115.342 114.554 0.009 0.000 2.821 171 T HA 0.117 4.465 4.350 -0.003 0.000 0.267 171 T C 0.938 175.647 174.700 0.015 0.000 1.046 171 T CA 1.456 63.564 62.100 0.013 0.000 1.139 171 T CB -0.585 68.293 68.868 0.016 0.000 0.871 171 T HN 1.046 nan 8.240 nan 0.000 0.454 172 T N -0.574 113.983 114.554 0.006 0.000 2.982 172 T HA 0.585 4.933 4.350 -0.003 0.000 0.321 172 T C -1.708 172.977 174.700 -0.025 0.000 1.229 172 T CA -1.060 61.035 62.100 -0.010 0.000 1.044 172 T CB 1.695 70.569 68.868 0.009 0.000 1.184 172 T HN 0.007 nan 8.240 nan 0.000 0.477 173 L N 2.491 123.680 121.223 -0.058 0.000 2.296 173 L HA 0.735 5.073 4.340 -0.003 0.000 0.286 173 L C -0.248 176.590 176.870 -0.053 0.000 1.023 173 L CA -0.411 54.398 54.840 -0.051 0.000 0.812 173 L CB 1.074 43.097 42.059 -0.060 0.000 1.223 173 L HN 0.760 nan 8.230 nan 0.000 0.421 174 R N 4.121 124.605 120.500 -0.028 0.000 2.480 174 R HA 0.750 5.088 4.340 -0.003 0.000 0.306 174 R C -1.499 174.794 176.300 -0.011 0.000 0.958 174 R CA -0.820 55.270 56.100 -0.016 0.000 0.861 174 R CB 2.151 32.450 30.300 -0.003 0.000 1.171 174 R HN 0.469 nan 8.270 nan 0.000 0.445 175 V N 1.470 121.381 119.914 -0.005 0.000 2.604 175 V HA 0.180 4.298 4.120 -0.003 0.000 0.305 175 V C -0.481 175.619 176.094 0.010 0.000 1.043 175 V CA -0.899 61.401 62.300 0.001 0.000 0.888 175 V CB 2.048 33.874 31.823 0.004 0.000 0.995 175 V HN 0.641 nan 8.190 nan 0.000 0.429 176 D N 2.837 123.238 120.400 0.002 0.000 2.441 176 D HA 0.215 4.853 4.640 -0.003 0.000 0.221 176 D C 0.513 176.807 176.300 -0.010 0.000 1.156 176 D CA 0.022 54.019 54.000 -0.006 0.000 0.896 176 D CB 1.015 41.804 40.800 -0.018 0.000 1.028 176 D HN 0.565 nan 8.370 nan 0.000 0.509 177 Q N 1.863 121.666 119.800 0.005 0.000 2.225 177 Q HA 0.092 4.430 4.340 -0.003 0.000 0.222 177 Q C 1.371 177.344 176.000 -0.046 0.000 0.887 177 Q CA -0.200 55.604 55.803 0.002 0.000 0.958 177 Q CB 0.405 29.175 28.738 0.053 0.000 1.058 177 Q HN 0.404 nan 8.270 nan 0.000 0.459 178 S N 1.304 116.969 115.700 -0.059 0.000 2.380 178 S HA -0.216 4.252 4.470 -0.003 0.000 0.229 178 S C 1.872 176.404 174.600 -0.112 0.000 1.043 178 S CA 1.573 59.730 58.200 -0.071 0.000 1.038 178 S CB -0.329 62.834 63.200 -0.062 0.000 0.872 178 S HN 0.697 nan 8.310 nan 0.000 0.456 179 I N -0.776 119.668 120.570 -0.211 0.000 2.700 179 I HA -0.104 4.064 4.170 -0.003 0.000 0.261 179 I C 1.567 177.592 176.117 -0.154 0.000 1.219 179 I CA 1.338 62.449 61.300 -0.316 0.000 1.463 179 I CB -0.379 37.119 38.000 -0.837 0.000 1.092 179 I HN 0.198 nan 8.210 nan 0.000 0.452 180 L N 0.642 121.790 121.223 -0.126 0.000 2.221 180 L HA 0.053 4.392 4.340 -0.003 0.000 0.202 180 L C 2.627 179.451 176.870 -0.076 0.000 1.074 180 L CA 1.299 56.075 54.840 -0.107 0.000 0.795 180 L CB -0.645 41.313 42.059 -0.167 0.000 0.960 180 L HN 0.435 nan 8.230 nan 0.000 0.458 181 T N -4.483 110.034 114.554 -0.063 0.000 3.087 181 T HA 0.389 4.737 4.350 -0.003 0.000 0.237 181 T C 1.442 176.128 174.700 -0.023 0.000 0.990 181 T CA 0.767 62.843 62.100 -0.041 0.000 1.160 181 T CB 0.954 69.802 68.868 -0.033 0.000 0.923 181 T HN 0.328 nan 8.240 nan 0.000 0.442 182 G N 1.918 110.704 108.800 -0.023 0.000 2.797 182 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.195 182 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.195 182 G C -0.024 174.870 174.900 -0.010 0.000 1.026 182 G CA 0.010 45.103 45.100 -0.012 0.000 0.759 182 G HN 0.984 nan 8.290 nan 0.000 0.475 183 E N 1.256 121.450 120.200 -0.009 0.000 2.417 183 E HA 0.558 4.907 4.350 -0.003 0.000 0.261 183 E C 1.080 177.675 176.600 -0.008 0.000 1.000 183 E CA 0.589 56.986 56.400 -0.005 0.000 0.919 183 E CB 1.598 31.297 29.700 -0.001 0.000 0.955 183 E HN 0.161 nan 8.360 nan 0.000 0.455 184 S N 3.088 118.784 115.700 -0.007 0.000 2.414 184 S HA -0.047 4.422 4.470 -0.003 0.000 0.227 184 S C 0.634 175.232 174.600 -0.004 0.000 1.022 184 S CA 0.092 58.287 58.200 -0.009 0.000 0.958 184 S CB -0.050 63.145 63.200 -0.008 0.000 0.797 184 S HN 0.483 nan 8.310 nan 0.000 0.493 185 V N 4.498 124.411 119.914 -0.002 0.000 2.628 185 V HA -0.011 4.108 4.120 -0.003 0.000 0.282 185 V C 0.801 176.903 176.094 0.013 0.000 0.968 185 V CA 0.218 62.520 62.300 0.003 0.000 1.171 185 V CB -1.414 30.410 31.823 0.002 0.000 0.899 185 V HN 0.615 nan 8.190 nan 0.000 0.462 186 S N 5.157 120.864 115.700 0.013 0.000 2.573 186 S HA 0.422 4.890 4.470 -0.003 0.000 0.277 186 S C -0.104 174.515 174.600 0.032 0.000 1.346 186 S CA -0.326 57.884 58.200 0.017 0.000 1.034 186 S CB 1.472 64.679 63.200 0.011 0.000 0.879 186 S HN 1.258 nan 8.310 nan 0.000 0.528 187 V N -0.496 119.439 119.914 0.035 0.000 2.769 187 V HA 0.746 4.864 4.120 -0.003 0.000 0.312 187 V C -0.545 175.564 176.094 0.025 0.000 1.058 187 V CA -1.246 61.083 62.300 0.049 0.000 0.952 187 V CB 0.902 32.765 31.823 0.066 0.000 1.019 187 V HN 0.788 nan 8.190 nan 0.000 0.445 188 I N 3.850 124.436 120.570 0.027 0.000 2.331 188 I HA 0.521 4.690 4.170 -0.003 0.000 0.292 188 I C 0.489 176.539 176.117 -0.111 0.000 0.998 188 I CA -0.040 61.235 61.300 -0.041 0.000 1.267 188 I CB 1.227 39.220 38.000 -0.011 0.000 1.386 188 I HN 0.626 nan 8.210 nan 0.000 0.476 189 K N 5.210 125.496 120.400 -0.190 0.000 2.168 189 K HA 0.621 4.940 4.320 -0.003 0.000 0.239 189 K C -0.463 175.896 176.600 -0.401 0.000 0.999 189 K CA -0.752 55.423 56.287 -0.188 0.000 0.900 189 K CB 1.395 33.830 32.500 -0.108 0.000 1.111 189 K HN 0.513 nan 8.250 nan 0.000 0.452 190 H N -0.948 118.116 119.070 -0.009 0.000 2.960 190 H HA 0.172 4.726 4.556 -0.003 0.000 0.323 190 H C 0.271 175.583 175.328 -0.026 0.000 1.326 190 H CA -0.262 55.777 56.048 -0.014 0.000 1.124 190 H CB 1.770 31.513 29.762 -0.032 0.000 1.853 190 H HN 0.648 nan 8.280 nan 0.000 0.536 191 T N -3.050 111.580 114.554 0.127 0.000 3.040 191 T HA 0.077 4.425 4.350 -0.003 0.000 0.250 191 T C 0.603 175.317 174.700 0.022 0.000 1.058 191 T CA -0.202 61.927 62.100 0.049 0.000 0.988 191 T CB 0.724 69.612 68.868 0.034 0.000 0.993 191 T HN 0.467 nan 8.240 nan 0.000 0.519 192 E N 3.677 123.884 120.200 0.011 0.000 2.384 192 E HA 0.186 4.534 4.350 -0.003 0.000 0.266 192 E C -2.147 174.439 176.600 -0.023 0.000 1.012 192 E CA -2.191 54.189 56.400 -0.034 0.000 0.901 192 E CB 0.716 30.357 29.700 -0.098 0.000 0.967 192 E HN 0.194 nan 8.360 nan 0.000 0.435 193 P HA -0.026 nan 4.420 nan 0.000 0.269 193 P C -0.801 176.490 177.300 -0.015 0.000 1.215 193 P CA -0.147 62.940 63.100 -0.023 0.000 0.780 193 P CB 0.762 32.438 31.700 -0.039 0.000 0.898 194 V N 5.011 124.938 119.914 0.022 0.000 2.313 194 V HA 0.124 4.243 4.120 -0.003 0.000 0.278 194 V C -0.799 175.318 176.094 0.040 0.000 1.017 194 V CA -1.553 60.787 62.300 0.066 0.000 0.823 194 V CB 0.877 32.817 31.823 0.196 0.000 1.010 194 V HN 0.578 nan 8.190 nan 0.000 0.443 195 P HA -0.216 nan 4.420 nan 0.000 0.214 195 P C 0.555 177.856 177.300 0.003 0.000 1.172 195 P CA 1.115 64.206 63.100 -0.015 0.000 0.925 195 P CB 0.112 31.803 31.700 -0.016 0.000 0.793 196 D N 0.426 120.853 120.400 0.045 0.000 2.662 196 D HA -0.062 4.576 4.640 -0.003 0.000 0.237 196 D C -1.490 174.892 176.300 0.137 0.000 1.154 196 D CA -0.826 53.218 54.000 0.075 0.000 0.861 196 D CB 0.676 41.525 40.800 0.081 0.000 1.146 196 D HN 0.097 nan 8.370 nan 0.000 0.518 197 P HA -0.008 nan 4.420 nan 0.000 0.220 197 P C 0.892 178.311 177.300 0.197 0.000 1.152 197 P CA 0.507 63.645 63.100 0.062 0.000 0.812 197 P CB 0.338 32.041 31.700 0.006 0.000 0.792 198 R N 0.117 120.700 120.500 0.138 0.000 2.893 198 R HA 0.405 4.743 4.340 -0.003 0.000 0.317 198 R C -0.140 176.200 176.300 0.067 0.000 1.239 198 R CA -0.391 55.769 56.100 0.101 0.000 1.128 198 R CB -0.373 29.962 30.300 0.058 0.000 1.377 198 R HN 0.045 nan 8.270 nan 0.000 0.583 199 A N 0.661 123.534 122.820 0.089 0.000 2.425 199 A HA 0.236 4.554 4.320 -0.003 0.000 0.242 199 A C 0.548 178.068 177.584 -0.107 0.000 1.077 199 A CA -0.337 51.688 52.037 -0.021 0.000 0.781 199 A CB 0.440 19.415 19.000 -0.040 0.000 1.020 199 A HN 0.220 nan 8.150 nan 0.000 0.494 200 V N 0.692 120.561 119.914 -0.075 0.000 2.743 200 V HA 0.287 4.406 4.120 -0.003 0.000 0.301 200 V C 0.979 177.030 176.094 -0.071 0.000 1.057 200 V CA -0.734 61.520 62.300 -0.077 0.000 1.006 200 V CB 0.882 32.668 31.823 -0.062 0.000 1.024 200 V HN 0.847 nan 8.190 nan 0.000 0.473 201 N N 1.720 120.374 118.700 -0.076 0.000 2.133 201 N HA -0.289 4.449 4.740 -0.003 0.000 0.193 201 N C 1.588 177.150 175.510 0.086 0.000 1.012 201 N CA 2.220 55.272 53.050 0.003 0.000 0.871 201 N CB -0.480 37.767 38.487 -0.399 0.000 1.011 201 N HN 0.963 nan 8.380 nan 0.000 0.435 202 Q N 0.406 120.211 119.800 0.007 0.000 2.226 202 Q HA -0.117 4.222 4.340 -0.003 0.000 0.204 202 Q C 0.092 176.129 176.000 0.062 0.000 0.975 202 Q CA 1.230 57.059 55.803 0.043 0.000 0.866 202 Q CB 0.171 28.920 28.738 0.018 0.000 0.915 202 Q HN 0.343 nan 8.270 nan 0.000 0.440 203 D N -0.176 120.243 120.400 0.033 0.000 2.369 203 D HA 0.033 4.672 4.640 -0.003 0.000 0.211 203 D C -0.225 176.089 176.300 0.023 0.000 1.077 203 D CA 0.223 54.238 54.000 0.025 0.000 0.842 203 D CB 0.323 41.127 40.800 0.005 0.000 0.947 203 D HN 0.142 nan 8.370 nan 0.000 0.509 204 K N 2.055 122.472 120.400 0.027 0.000 2.480 204 K HA 0.063 4.381 4.320 -0.003 0.000 0.241 204 K C 1.225 177.834 176.600 0.016 0.000 1.261 204 K CA -0.095 56.193 56.287 0.001 0.000 1.193 204 K CB 0.116 32.603 32.500 -0.022 0.000 1.598 204 K HN 0.126 nan 8.250 nan 0.000 0.278 205 K N 0.246 120.667 120.400 0.035 0.000 2.589 205 K HA -0.084 4.234 4.320 -0.003 0.000 0.192 205 K C 0.407 177.013 176.600 0.011 0.000 1.029 205 K CA 0.812 57.121 56.287 0.036 0.000 1.031 205 K CB -0.058 32.489 32.500 0.079 0.000 0.821 205 K HN 0.237 nan 8.250 nan 0.000 0.502 206 N N 0.128 118.822 118.700 -0.011 0.000 2.177 206 N HA 0.085 4.823 4.740 -0.003 0.000 0.218 206 N C -0.370 175.084 175.510 -0.092 0.000 1.182 206 N CA -0.256 52.780 53.050 -0.023 0.000 0.882 206 N CB 0.327 38.822 38.487 0.014 0.000 1.052 206 N HN 0.004 nan 8.380 nan 0.000 0.519 207 M N 0.797 120.279 119.600 -0.197 0.000 2.578 207 M HA 0.473 4.951 4.480 -0.003 0.000 0.321 207 M C -0.740 175.242 176.300 -0.530 0.000 1.182 207 M CA -0.609 54.470 55.300 -0.368 0.000 0.965 207 M CB 2.116 34.401 32.600 -0.525 0.000 1.694 207 M HN -0.069 nan 8.290 nan 0.000 0.461 208 L N 2.296 123.236 121.223 -0.471 0.000 2.325 208 L HA 0.507 4.846 4.340 -0.003 0.000 0.281 208 L C -1.154 175.487 176.870 -0.381 0.000 1.004 208 L CA -0.469 54.154 54.840 -0.361 0.000 0.823 208 L CB 1.215 43.176 42.059 -0.163 0.000 1.236 208 L HN 0.443 nan 8.230 nan 0.000 0.415 209 F N 1.107 121.045 119.950 -0.021 0.000 2.410 209 F HA 0.241 4.766 4.527 -0.003 0.000 0.348 209 F C 1.159 176.947 175.800 -0.019 0.000 1.106 209 F CA -0.172 57.816 58.000 -0.021 0.000 1.163 209 F CB 1.462 40.445 39.000 -0.027 0.000 1.129 209 F HN 0.390 nan 8.300 nan 0.000 0.516 210 S N 1.998 117.804 115.700 0.176 0.000 2.561 210 S HA 0.328 4.796 4.470 -0.003 0.000 0.294 210 S C 1.210 175.871 174.600 0.102 0.000 1.294 210 S CA 0.860 59.123 58.200 0.105 0.000 1.055 210 S CB -0.012 63.245 63.200 0.095 0.000 0.819 210 S HN 1.280 nan 8.310 nan 0.000 0.503 211 G N 3.056 111.899 108.800 0.072 0.000 2.199 211 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.254 211 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.254 211 G C 0.372 175.238 174.900 -0.057 0.000 0.982 211 G CA 0.421 45.548 45.100 0.046 0.000 0.632 211 G HN 0.902 nan 8.290 nan 0.000 0.529 212 T N 1.301 115.848 114.554 -0.011 0.000 2.849 212 T HA 0.581 4.929 4.350 -0.003 0.000 0.276 212 T C 0.136 174.821 174.700 -0.024 0.000 0.971 212 T CA -0.239 61.844 62.100 -0.029 0.000 0.949 212 T CB 0.805 69.698 68.868 0.041 0.000 1.093 212 T HN 0.309 nan 8.240 nan 0.000 0.545 213 N N 0.756 119.441 118.700 -0.024 0.000 2.240 213 N HA 0.362 5.100 4.740 -0.003 0.000 0.302 213 N C -1.195 174.308 175.510 -0.012 0.000 1.106 213 N CA -0.647 52.393 53.050 -0.017 0.000 0.778 213 N CB 1.683 40.157 38.487 -0.022 0.000 1.431 213 N HN 0.308 nan 8.380 nan 0.000 0.479 214 I N 1.838 122.402 120.570 -0.011 0.000 2.379 214 I HA 0.110 4.278 4.170 -0.003 0.000 0.290 214 I C 1.549 177.662 176.117 -0.008 0.000 1.063 214 I CA -0.036 61.258 61.300 -0.011 0.000 1.351 214 I CB 0.182 38.175 38.000 -0.011 0.000 1.410 214 I HN 0.636 nan 8.210 nan 0.000 0.505 215 A N 5.957 128.773 122.820 -0.007 0.000 1.874 215 A HA 0.431 4.750 4.320 -0.003 0.000 0.214 215 A C 1.022 178.605 177.584 -0.002 0.000 1.189 215 A CA 1.135 53.169 52.037 -0.004 0.000 0.615 215 A CB 0.078 19.077 19.000 -0.002 0.000 0.830 215 A HN 0.774 nan 8.150 nan 0.000 0.443 216 A N -2.162 120.656 122.820 -0.003 0.000 2.465 216 A HA 0.639 4.957 4.320 -0.003 0.000 0.292 216 A C 0.092 177.674 177.584 -0.004 0.000 1.041 216 A CA 0.240 52.276 52.037 -0.002 0.000 0.718 216 A CB 0.380 19.382 19.000 0.002 0.000 1.266 216 A HN 2.163 nan 8.150 nan 0.000 0.403 217 G N 0.822 109.620 108.800 -0.002 0.000 2.331 217 G HA2 0.371 4.330 3.960 -0.003 0.000 0.402 217 G HA3 0.371 4.330 3.960 -0.003 0.000 0.402 217 G C -1.265 173.635 174.900 -0.001 0.000 1.275 217 G CA -0.351 44.748 45.100 -0.003 0.000 1.003 217 G HN 0.895 nan 8.290 nan 0.000 0.500 218 K N -0.394 120.006 120.400 0.000 0.000 2.535 218 K HA 0.737 5.055 4.320 -0.003 0.000 0.251 218 K C -0.589 176.015 176.600 0.006 0.000 0.942 218 K CA -0.031 56.260 56.287 0.006 0.000 0.798 218 K CB 1.874 34.382 32.500 0.014 0.000 1.267 218 K HN 1.728 nan 8.250 nan 0.000 0.434 219 A N 2.835 125.659 122.820 0.008 0.000 2.593 219 A HA 0.762 5.080 4.320 -0.003 0.000 0.290 219 A C -2.150 175.447 177.584 0.022 0.000 1.126 219 A CA -0.719 51.322 52.037 0.008 0.000 0.695 219 A CB 1.578 20.572 19.000 -0.010 0.000 1.290 219 A HN 0.533 nan 8.150 nan 0.000 0.414 220 L N 0.330 121.567 121.223 0.023 0.000 2.385 220 L HA 0.844 5.182 4.340 -0.003 0.000 0.273 220 L C 0.090 176.970 176.870 0.016 0.000 0.990 220 L CA 0.465 55.330 54.840 0.041 0.000 0.821 220 L CB 1.922 44.013 42.059 0.053 0.000 1.279 220 L HN 1.240 nan 8.230 nan 0.000 0.412 221 G N 4.059 112.864 108.800 0.009 0.000 2.725 221 G HA2 0.532 4.490 3.960 -0.003 0.000 0.288 221 G HA3 0.532 4.490 3.960 -0.003 0.000 0.288 221 G C -1.906 172.980 174.900 -0.023 0.000 1.399 221 G CA -0.673 44.419 45.100 -0.013 0.000 0.859 221 G HN 0.728 nan 8.290 nan 0.000 0.479 222 I N 0.819 121.365 120.570 -0.040 0.000 2.377 222 I HA 0.497 4.666 4.170 -0.003 0.000 0.293 222 I C -0.292 175.750 176.117 -0.124 0.000 0.987 222 I CA -0.904 60.348 61.300 -0.080 0.000 1.185 222 I CB 1.637 39.605 38.000 -0.053 0.000 1.341 222 I HN 0.191 nan 8.210 nan 0.000 0.455 223 V N 8.695 128.494 119.914 -0.190 0.000 2.479 223 V HA 0.105 4.223 4.120 -0.003 0.000 0.281 223 V C 1.146 177.091 176.094 -0.248 0.000 1.031 223 V CA 0.670 62.854 62.300 -0.193 0.000 1.038 223 V CB 0.580 32.289 31.823 -0.190 0.000 0.981 223 V HN 0.990 nan 8.190 nan 0.000 0.478 224 A N 4.822 127.579 122.820 -0.105 0.000 1.911 224 A HA 0.251 4.569 4.320 -0.003 0.000 0.212 224 A C 1.057 178.651 177.584 0.017 0.000 1.189 224 A CA 1.235 53.276 52.037 0.007 0.000 0.639 224 A CB 0.097 19.113 19.000 0.026 0.000 0.839 224 A HN 0.849 nan 8.150 nan 0.000 0.449 225 T N -3.381 111.156 114.554 -0.029 0.000 2.853 225 T HA 0.588 4.936 4.350 -0.003 0.000 0.311 225 T C -0.551 174.133 174.700 -0.028 0.000 1.307 225 T CA 0.043 62.125 62.100 -0.031 0.000 1.019 225 T CB 1.566 70.447 68.868 0.021 0.000 1.264 225 T HN 0.808 nan 8.240 nan 0.000 0.497 226 T N -2.229 112.317 114.554 -0.014 0.000 2.754 226 T HA 0.806 5.154 4.350 -0.003 0.000 0.296 226 T C 0.858 175.588 174.700 0.050 0.000 1.205 226 T CA 0.218 62.327 62.100 0.015 0.000 1.009 226 T CB 1.077 69.946 68.868 0.002 0.000 1.368 226 T HN 2.300 nan 8.240 nan 0.000 0.509 227 G N 0.259 109.095 108.800 0.061 0.000 2.582 227 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.288 227 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.288 227 G C 0.997 175.935 174.900 0.063 0.000 1.247 227 G CA 1.379 46.522 45.100 0.071 0.000 0.972 227 G HN 2.234 nan 8.290 nan 0.000 0.557 228 V N -2.045 117.907 119.914 0.063 0.000 3.593 228 V HA 0.470 4.588 4.120 -0.003 0.000 0.275 228 V C 1.663 177.790 176.094 0.054 0.000 1.237 228 V CA 2.258 64.590 62.300 0.053 0.000 1.194 228 V CB 0.195 32.046 31.823 0.047 0.000 0.949 228 V HN 0.834 nan 8.190 nan 0.000 0.467 229 S N 0.389 116.126 115.700 0.061 0.000 2.539 229 S HA 0.160 4.628 4.470 -0.003 0.000 0.221 229 S C 1.080 175.715 174.600 0.058 0.000 0.987 229 S CA 0.445 58.681 58.200 0.060 0.000 0.929 229 S CB 0.124 63.365 63.200 0.069 0.000 0.832 229 S HN 0.942 nan 8.310 nan 0.000 0.492 230 T N -0.121 114.470 114.554 0.062 0.000 2.810 230 T HA 0.349 4.697 4.350 -0.003 0.000 0.277 230 T C 1.055 175.799 174.700 0.073 0.000 0.973 230 T CA -0.528 61.620 62.100 0.080 0.000 0.949 230 T CB 0.616 69.535 68.868 0.085 0.000 1.075 230 T HN -0.163 nan 8.240 nan 0.000 0.537 231 E N 0.130 120.385 120.200 0.092 0.000 2.031 231 E HA -0.040 4.309 4.350 -0.003 0.000 0.193 231 E C 2.134 178.730 176.600 -0.006 0.000 0.994 231 E CA 1.036 57.441 56.400 0.009 0.000 0.800 231 E CB -0.462 29.177 29.700 -0.102 0.000 0.752 231 E HN 0.663 nan 8.360 nan 0.000 0.447 232 I N 0.795 121.378 120.570 0.022 0.000 2.163 232 I HA -0.212 3.957 4.170 -0.003 0.000 0.243 232 I C 2.422 178.560 176.117 0.035 0.000 1.085 232 I CA 1.400 62.722 61.300 0.036 0.000 1.347 232 I CB -0.584 37.466 38.000 0.084 0.000 1.044 232 I HN 0.142 nan 8.210 nan 0.000 0.408 233 G N 0.509 109.335 108.800 0.043 0.000 2.422 233 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.218 233 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.218 233 G C 1.737 176.653 174.900 0.026 0.000 1.146 233 G CA 0.607 45.729 45.100 0.037 0.000 0.769 233 G HN 0.299 nan 8.290 nan 0.000 0.547 234 K N -0.416 119.997 120.400 0.022 0.000 2.148 234 K HA 0.173 4.491 4.320 -0.003 0.000 0.204 234 K C 2.302 178.902 176.600 0.001 0.000 1.050 234 K CA 0.474 56.769 56.287 0.013 0.000 0.942 234 K CB -0.124 32.382 32.500 0.010 0.000 0.724 234 K HN 0.320 nan 8.250 nan 0.000 0.446 235 I N 0.427 120.995 120.570 -0.003 0.000 2.406 235 I HA -0.203 3.966 4.170 -0.003 0.000 0.249 235 I C 2.525 178.640 176.117 -0.004 0.000 1.122 235 I CA 0.546 61.840 61.300 -0.010 0.000 1.431 235 I CB -0.037 37.955 38.000 -0.014 0.000 1.087 235 I HN 0.132 nan 8.210 nan 0.000 0.424 236 R N 1.133 121.636 120.500 0.005 0.000 2.127 236 R HA -0.213 4.125 4.340 -0.003 0.000 0.238 236 R C 1.450 177.751 176.300 0.000 0.000 1.134 236 R CA 1.884 57.986 56.100 0.003 0.000 0.975 236 R CB -0.500 29.805 30.300 0.010 0.000 0.865 236 R HN 0.324 nan 8.270 nan 0.000 0.447 237 D N 0.452 120.854 120.400 0.004 0.000 2.103 237 D HA -0.104 4.534 4.640 -0.003 0.000 0.199 237 D C 2.079 178.377 176.300 -0.004 0.000 0.978 237 D CA 0.959 54.961 54.000 0.003 0.000 0.829 237 D CB -0.197 40.608 40.800 0.009 0.000 0.981 237 D HN 0.318 nan 8.370 nan 0.000 0.464 238 Q N -0.192 119.604 119.800 -0.007 0.000 2.062 238 Q HA -0.228 4.111 4.340 -0.003 0.000 0.209 238 Q C 2.202 178.192 176.000 -0.016 0.000 0.996 238 Q CA 1.442 57.237 55.803 -0.014 0.000 0.859 238 Q CB -0.192 28.535 28.738 -0.018 0.000 0.920 238 Q HN 0.205 nan 8.270 nan 0.000 0.415 239 M N 0.260 119.850 119.600 -0.015 0.000 2.110 239 M HA -0.267 4.212 4.480 -0.003 0.000 0.257 239 M C 2.127 178.417 176.300 -0.016 0.000 1.071 239 M CA 2.126 57.415 55.300 -0.018 0.000 1.096 239 M CB -0.476 32.114 32.600 -0.017 0.000 1.300 239 M HN 0.290 nan 8.290 nan 0.000 0.411 240 A N -0.850 121.963 122.820 -0.012 0.000 2.024 240 A HA -0.036 4.282 4.320 -0.003 0.000 0.220 240 A C 2.169 179.746 177.584 -0.011 0.000 1.164 240 A CA 1.940 53.970 52.037 -0.010 0.000 0.643 240 A CB -1.141 17.855 19.000 -0.005 0.000 0.806 240 A HN 0.618 nan 8.150 nan 0.000 0.451 241 A N -1.350 121.463 122.820 -0.012 0.000 2.132 241 A HA 0.227 4.545 4.320 -0.003 0.000 0.213 241 A C 1.201 178.774 177.584 -0.018 0.000 1.154 241 A CA 0.791 52.820 52.037 -0.014 0.000 0.753 241 A CB -0.534 18.458 19.000 -0.013 0.000 0.826 241 A HN 0.279 nan 8.150 nan 0.000 0.469 242 T N 1.880 116.421 114.554 -0.021 0.000 2.761 242 T HA 0.168 4.517 4.350 -0.003 0.000 0.287 242 T C 0.054 174.740 174.700 -0.023 0.000 0.931 242 T CA 0.076 62.161 62.100 -0.025 0.000 1.164 242 T CB 0.199 69.051 68.868 -0.026 0.000 0.876 242 T HN 0.538 nan 8.240 nan 0.000 0.534 243 E N 2.952 123.138 120.200 -0.024 0.000 2.354 243 E HA 0.146 4.495 4.350 -0.003 0.000 0.269 243 E C -0.312 176.274 176.600 -0.024 0.000 1.036 243 E CA -0.629 55.758 56.400 -0.022 0.000 0.876 243 E CB 0.632 30.319 29.700 -0.021 0.000 1.009 243 E HN 0.376 nan 8.360 nan 0.000 0.416 244 Q N 3.231 123.017 119.800 -0.024 0.000 2.372 244 Q HA 0.177 4.515 4.340 -0.003 0.000 0.259 244 Q C -1.258 174.727 176.000 -0.025 0.000 0.993 244 Q CA -0.469 55.319 55.803 -0.026 0.000 0.854 244 Q CB 1.148 29.870 28.738 -0.028 0.000 1.231 244 Q HN 0.449 nan 8.270 nan 0.000 0.462 245 D N 2.393 122.778 120.400 -0.025 0.000 2.368 245 D HA 0.081 4.719 4.640 -0.003 0.000 0.240 245 D C -0.353 175.931 176.300 -0.027 0.000 1.169 245 D CA 0.130 54.115 54.000 -0.024 0.000 0.906 245 D CB 0.881 41.667 40.800 -0.023 0.000 1.187 245 D HN 0.412 nan 8.370 nan 0.000 0.435 246 K N 0.424 120.810 120.400 -0.024 0.000 2.270 246 K HA 0.121 4.439 4.320 -0.003 0.000 0.276 246 K C 0.384 176.966 176.600 -0.030 0.000 1.023 246 K CA -0.352 55.920 56.287 -0.025 0.000 0.955 246 K CB 0.708 33.196 32.500 -0.019 0.000 0.975 246 K HN 0.448 nan 8.250 nan 0.000 0.471 247 T N 0.241 114.774 114.554 -0.035 0.000 2.946 247 T HA 0.041 4.389 4.350 -0.003 0.000 0.311 247 T C -1.840 172.830 174.700 -0.049 0.000 1.063 247 T CA -1.319 60.753 62.100 -0.046 0.000 1.139 247 T CB 0.663 69.500 68.868 -0.051 0.000 0.994 247 T HN 0.284 nan 8.240 nan 0.000 0.547 248 P HA -0.121 nan 4.420 nan 0.000 0.217 248 P C 1.513 178.774 177.300 -0.065 0.000 1.148 248 P CA 0.493 63.550 63.100 -0.071 0.000 0.834 248 P CB -0.024 31.610 31.700 -0.110 0.000 0.783 249 L N -0.288 120.890 121.223 -0.075 0.000 1.993 249 L HA -0.165 4.173 4.340 -0.003 0.000 0.206 249 L C 2.259 179.126 176.870 -0.005 0.000 1.074 249 L CA 1.899 56.718 54.840 -0.034 0.000 0.746 249 L CB -1.681 40.364 42.059 -0.023 0.000 0.896 249 L HN -0.116 nan 8.230 nan 0.000 0.435 250 Q N -0.565 119.229 119.800 -0.011 0.000 2.082 250 Q HA -0.332 4.006 4.340 -0.003 0.000 0.211 250 Q C 2.224 178.228 176.000 0.007 0.000 1.002 250 Q CA 2.678 58.480 55.803 -0.002 0.000 0.868 250 Q CB -0.384 28.347 28.738 -0.012 0.000 0.931 250 Q HN 0.658 nan 8.270 nan 0.000 0.414 251 Q N 0.125 119.925 119.800 -0.000 0.000 2.077 251 Q HA -0.196 4.143 4.340 -0.003 0.000 0.206 251 Q C 2.103 178.120 176.000 0.028 0.000 0.989 251 Q CA 1.039 56.847 55.803 0.008 0.000 0.853 251 Q CB -0.085 28.651 28.738 -0.002 0.000 0.907 251 Q HN 0.165 nan 8.270 nan 0.000 0.418 252 K N 0.326 120.745 120.400 0.031 0.000 2.057 252 K HA -0.118 4.200 4.320 -0.003 0.000 0.207 252 K C 2.048 178.706 176.600 0.096 0.000 1.049 252 K CA 0.810 57.134 56.287 0.062 0.000 0.931 252 K CB -0.244 32.291 32.500 0.059 0.000 0.714 252 K HN 0.119 nan 8.250 nan 0.000 0.440 253 L N 1.868 123.132 121.223 0.069 0.000 2.023 253 L HA -0.146 4.192 4.340 -0.003 0.000 0.205 253 L C 1.870 178.818 176.870 0.129 0.000 1.073 253 L CA 1.720 56.612 54.840 0.086 0.000 0.745 253 L CB -0.912 41.163 42.059 0.027 0.000 0.900 253 L HN 0.144 nan 8.230 nan 0.000 0.435 254 D N -0.098 120.346 120.400 0.073 0.000 2.172 254 D HA -0.250 4.388 4.640 -0.003 0.000 0.196 254 D C 1.964 178.304 176.300 0.066 0.000 0.999 254 D CA 1.603 55.637 54.000 0.056 0.000 0.856 254 D CB 0.046 40.861 40.800 0.025 0.000 0.934 254 D HN 0.645 nan 8.370 nan 0.000 0.453 255 E N -0.362 119.884 120.200 0.078 0.000 2.285 255 E HA -0.126 4.222 4.350 -0.003 0.000 0.194 255 E C 2.054 178.701 176.600 0.077 0.000 0.997 255 E CA 0.214 56.649 56.400 0.060 0.000 0.845 255 E CB -0.607 29.124 29.700 0.052 0.000 0.782 255 E HN 0.290 nan 8.360 nan 0.000 0.491 256 F N 2.259 122.211 119.950 0.003 0.000 2.259 256 F HA 0.141 4.666 4.527 -0.003 0.000 0.298 256 F C 2.120 177.919 175.800 -0.002 0.000 1.088 256 F CA 1.563 59.567 58.000 0.006 0.000 1.358 256 F CB -0.182 38.823 39.000 0.009 0.000 1.040 256 F HN 0.072 nan 8.300 nan 0.000 0.505 257 G N 0.030 108.914 108.800 0.140 0.000 2.443 257 G HA2 -0.177 3.782 3.960 -0.003 0.000 0.219 257 G HA3 -0.177 3.782 3.960 -0.003 0.000 0.219 257 G C 1.462 176.318 174.900 -0.073 0.000 1.131 257 G CA 0.707 45.835 45.100 0.048 0.000 0.775 257 G HN 0.379 nan 8.290 nan 0.000 0.547 258 E N 0.825 120.984 120.200 -0.068 0.000 2.046 258 E HA -0.113 4.235 4.350 -0.003 0.000 0.190 258 E C 2.526 179.048 176.600 -0.130 0.000 0.982 258 E CA 0.825 57.179 56.400 -0.076 0.000 0.800 258 E CB -0.438 29.234 29.700 -0.047 0.000 0.756 258 E HN 0.537 nan 8.360 nan 0.000 0.449 259 Q N 0.424 120.110 119.800 -0.190 0.000 2.050 259 Q HA -0.138 4.201 4.340 -0.003 0.000 0.202 259 Q C 2.295 178.109 176.000 -0.310 0.000 0.980 259 Q CA 1.022 56.681 55.803 -0.241 0.000 0.840 259 Q CB -0.171 28.394 28.738 -0.289 0.000 0.898 259 Q HN 0.096 nan 8.270 nan 0.000 0.424 260 L N 0.158 121.098 121.223 -0.471 0.000 2.056 260 L HA -0.105 4.233 4.340 -0.003 0.000 0.207 260 L C 2.310 179.068 176.870 -0.187 0.000 1.078 260 L CA 1.768 56.376 54.840 -0.387 0.000 0.749 260 L CB -0.770 41.021 42.059 -0.446 0.000 0.901 260 L HN 0.072 nan 8.230 nan 0.000 0.433 261 S N -1.193 114.420 115.700 -0.144 0.000 2.419 261 S HA -0.219 4.249 4.470 -0.003 0.000 0.233 261 S C 2.105 176.653 174.600 -0.087 0.000 1.016 261 S CA 1.464 59.610 58.200 -0.089 0.000 0.974 261 S CB -0.182 62.978 63.200 -0.066 0.000 0.786 261 S HN 0.388 nan 8.310 nan 0.000 0.492 262 K N 0.829 121.169 120.400 -0.101 0.000 2.044 262 K HA 0.149 4.468 4.320 -0.003 0.000 0.204 262 K C 1.911 178.459 176.600 -0.087 0.000 1.049 262 K CA 1.282 57.518 56.287 -0.086 0.000 0.945 262 K CB -0.883 31.567 32.500 -0.083 0.000 0.724 262 K HN 0.198 nan 8.250 nan 0.000 0.440 263 V N 1.399 121.252 119.914 -0.102 0.000 2.233 263 V HA -0.294 3.825 4.120 -0.003 0.000 0.247 263 V C 2.211 178.249 176.094 -0.093 0.000 1.050 263 V CA 2.145 64.387 62.300 -0.097 0.000 1.010 263 V CB -0.416 31.346 31.823 -0.103 0.000 0.637 263 V HN 0.309 nan 8.190 nan 0.000 0.444 264 I N 0.003 120.520 120.570 -0.088 0.000 2.121 264 I HA -0.377 3.791 4.170 -0.003 0.000 0.243 264 I C 2.720 178.795 176.117 -0.070 0.000 1.047 264 I CA 2.235 63.492 61.300 -0.072 0.000 1.308 264 I CB -0.647 37.317 38.000 -0.060 0.000 1.015 264 I HN 0.379 nan 8.210 nan 0.000 0.410 265 S N 0.645 116.303 115.700 -0.070 0.000 2.356 265 S HA -0.135 4.333 4.470 -0.003 0.000 0.223 265 S C 2.057 176.618 174.600 -0.065 0.000 1.032 265 S CA 1.007 59.167 58.200 -0.067 0.000 1.005 265 S CB -0.196 62.965 63.200 -0.066 0.000 0.867 265 S HN 0.262 nan 8.310 nan 0.000 0.449 266 L N 1.537 122.718 121.223 -0.069 0.000 2.081 266 L HA -0.060 4.278 4.340 -0.003 0.000 0.212 266 L C 2.215 179.041 176.870 -0.073 0.000 1.080 266 L CA 1.685 56.485 54.840 -0.067 0.000 0.754 266 L CB -1.211 40.803 42.059 -0.074 0.000 0.893 266 L HN 0.458 nan 8.230 nan 0.000 0.433 267 I N -1.561 118.949 120.570 -0.099 0.000 2.439 267 I HA -0.295 3.873 4.170 -0.003 0.000 0.251 267 I C 2.416 178.517 176.117 -0.026 0.000 1.139 267 I CA 0.626 61.849 61.300 -0.127 0.000 1.438 267 I CB -0.202 37.697 38.000 -0.168 0.000 1.085 267 I HN 0.267 nan 8.210 nan 0.000 0.427 268 C N 0.040 119.327 119.300 -0.022 0.000 2.449 268 C HA -0.030 4.428 4.460 -0.003 0.000 0.283 268 C C 2.628 177.644 174.990 0.045 0.000 1.453 268 C CA 0.376 59.396 59.018 0.003 0.000 1.779 268 C CB -0.724 26.992 27.740 -0.040 0.000 1.779 268 C HN 0.341 nan 8.230 nan 0.000 0.546 269 V N 0.285 120.220 119.914 0.034 0.000 2.795 269 V HA 0.060 4.178 4.120 -0.003 0.000 0.243 269 V C 2.523 178.707 176.094 0.150 0.000 1.069 269 V CA 1.630 63.973 62.300 0.071 0.000 1.089 269 V CB -0.742 31.084 31.823 0.004 0.000 0.756 269 V HN 0.477 nan 8.190 nan 0.000 0.471 270 A N -0.187 122.695 122.820 0.104 0.000 2.014 270 A HA -0.073 4.245 4.320 -0.003 0.000 0.218 270 A C 2.319 180.056 177.584 0.255 0.000 1.163 270 A CA 1.523 53.651 52.037 0.151 0.000 0.652 270 A CB -0.382 18.652 19.000 0.057 0.000 0.808 270 A HN 0.291 nan 8.150 nan 0.000 0.449 271 V N -1.867 118.199 119.914 0.253 0.000 2.244 271 V HA -0.254 3.864 4.120 -0.003 0.000 0.244 271 V C 2.137 178.241 176.094 0.018 0.000 1.042 271 V CA 1.971 64.376 62.300 0.174 0.000 1.006 271 V CB -0.903 30.979 31.823 0.097 0.000 0.641 271 V HN 0.870 nan 8.190 nan 0.000 0.446 272 W N 0.548 121.774 121.300 -0.124 0.000 2.315 272 W HA -0.257 4.401 4.660 -0.003 0.000 0.323 272 W C 2.270 178.731 176.519 -0.097 0.000 1.233 272 W CA 2.238 59.489 57.345 -0.156 0.000 1.267 272 W CB -0.480 28.964 29.460 -0.027 0.000 1.160 272 W HN 0.155 nan 8.180 nan 0.000 0.474 273 L N 0.168 121.547 121.223 0.260 0.000 2.081 273 L HA -0.303 4.036 4.340 -0.003 0.000 0.212 273 L C 2.430 179.229 176.870 -0.118 0.000 1.080 273 L CA 1.684 56.568 54.840 0.073 0.000 0.754 273 L CB -0.950 41.221 42.059 0.188 0.000 0.893 273 L HN 0.116 nan 8.230 nan 0.000 0.433 274 I N -0.240 120.291 120.570 -0.064 0.000 2.394 274 I HA -0.235 3.933 4.170 -0.003 0.000 0.251 274 I C 1.338 177.371 176.117 -0.140 0.000 1.136 274 I CA 1.038 62.291 61.300 -0.077 0.000 1.425 274 I CB -0.243 37.730 38.000 -0.046 0.000 1.079 274 I HN 0.342 nan 8.210 nan 0.000 0.425 275 N N 0.868 119.417 118.700 -0.252 0.000 2.346 275 N HA 0.176 4.914 4.740 -0.003 0.000 0.225 275 N C 1.434 176.798 175.510 -0.242 0.000 1.144 275 N CA 0.226 53.145 53.050 -0.217 0.000 0.837 275 N CB 0.507 38.742 38.487 -0.420 0.000 1.069 275 N HN 0.404 nan 8.380 nan 0.000 0.487 276 I N 0.085 120.437 120.570 -0.363 0.000 2.439 276 I HA -0.127 4.041 4.170 -0.003 0.000 0.251 276 I C 2.316 178.354 176.117 -0.132 0.000 1.139 276 I CA 0.616 61.624 61.300 -0.486 0.000 1.438 276 I CB -0.221 37.449 38.000 -0.551 0.000 1.085 276 I HN 0.166 nan 8.210 nan 0.000 0.427 277 G N -0.088 108.695 108.800 -0.029 0.000 2.517 277 G HA2 -0.280 3.679 3.960 -0.003 0.000 0.222 277 G HA3 -0.280 3.679 3.960 -0.003 0.000 0.222 277 G C 1.431 176.403 174.900 0.121 0.000 1.109 277 G CA 0.658 45.783 45.100 0.042 0.000 0.746 277 G HN 0.477 nan 8.290 nan 0.000 0.576 278 H N -1.098 118.018 119.070 0.077 0.000 2.541 278 H HA -0.041 4.514 4.556 -0.003 0.000 0.289 278 H C 1.834 177.280 175.328 0.197 0.000 1.054 278 H CA 0.604 56.733 56.048 0.136 0.000 1.250 278 H CB -0.023 29.842 29.762 0.171 0.000 1.369 278 H HN 0.358 nan 8.280 nan 0.000 0.578 279 F N 0.916 120.899 119.950 0.054 0.000 2.546 279 F HA -0.076 4.449 4.527 -0.003 0.000 0.298 279 F C 1.216 177.035 175.800 0.032 0.000 1.120 279 F CA 0.741 58.757 58.000 0.027 0.000 1.456 279 F CB 0.051 39.051 39.000 -0.001 0.000 1.088 279 F HN 0.062 nan 8.300 nan 0.000 0.572 280 N N 0.733 119.533 118.700 0.167 0.000 2.671 280 N HA 0.069 4.807 4.740 -0.003 0.000 0.303 280 N C -1.016 174.515 175.510 0.035 0.000 1.351 280 N CA 0.133 53.233 53.050 0.083 0.000 0.991 280 N CB 0.229 38.754 38.487 0.063 0.000 1.307 280 N HN 0.086 nan 8.380 nan 0.000 0.512 281 D N 0.811 121.238 120.400 0.044 0.000 2.498 281 D HA 0.316 4.954 4.640 -0.003 0.000 0.247 281 D C -2.087 174.257 176.300 0.074 0.000 1.070 281 D CA -1.249 52.769 54.000 0.030 0.000 0.842 281 D CB 1.834 42.643 40.800 0.014 0.000 1.361 281 D HN 0.075 nan 8.370 nan 0.000 0.484 282 P HA -0.060 nan 4.420 nan 0.000 0.262 282 P C 0.901 178.265 177.300 0.107 0.000 1.182 282 P CA -0.172 62.976 63.100 0.080 0.000 0.761 282 P CB 1.112 32.848 31.700 0.061 0.000 0.795 283 V N 3.580 123.567 119.914 0.122 0.000 2.407 283 V HA -0.216 3.902 4.120 -0.003 0.000 0.248 283 V C 1.096 177.127 176.094 -0.104 0.000 1.055 283 V CA 1.687 64.033 62.300 0.077 0.000 1.049 283 V CB -1.258 30.614 31.823 0.083 0.000 0.662 283 V HN 0.576 nan 8.190 nan 0.000 0.455 284 H N 0.418 119.443 119.070 -0.075 0.000 2.983 284 H HA 0.527 5.081 4.556 -0.003 0.000 0.222 284 H C 0.397 175.684 175.328 -0.069 0.000 1.828 284 H CA 0.740 56.730 56.048 -0.096 0.000 1.309 284 H CB -0.503 29.219 29.762 -0.066 0.000 1.644 284 H HN 0.626 nan 8.280 nan 0.000 0.561 285 G N -1.634 107.156 108.800 -0.016 0.000 2.342 285 G HA2 0.413 4.371 3.960 -0.003 0.000 0.297 285 G HA3 0.413 4.371 3.960 -0.003 0.000 0.297 285 G C 0.275 175.179 174.900 0.006 0.000 1.313 285 G CA -0.154 44.948 45.100 0.005 0.000 0.830 285 G HN 0.626 nan 8.290 nan 0.000 0.506 286 G N -0.364 108.453 108.800 0.028 0.000 2.629 286 G HA2 0.217 4.175 3.960 -0.003 0.000 0.313 286 G HA3 0.217 4.175 3.960 -0.003 0.000 0.313 286 G C 0.572 175.503 174.900 0.052 0.000 1.217 286 G CA 1.488 46.625 45.100 0.061 0.000 0.994 286 G HN 2.349 nan 8.290 nan 0.000 0.549 287 S N -2.537 113.231 115.700 0.114 0.000 2.639 287 S HA 0.347 4.815 4.470 -0.003 0.000 0.319 287 S C -0.440 174.311 174.600 0.251 0.000 0.991 287 S CA 0.509 58.771 58.200 0.104 0.000 0.858 287 S CB -0.095 63.144 63.200 0.065 0.000 1.068 287 S HN 0.916 nan 8.310 nan 0.000 0.458 288 W N 3.824 125.107 121.300 -0.028 0.000 3.077 288 W HA 0.237 4.895 4.660 -0.002 0.000 0.245 288 W C 1.373 177.853 176.519 -0.064 0.000 1.316 288 W CA -0.140 57.175 57.345 -0.050 0.000 1.537 288 W CB -0.454 28.974 29.460 -0.053 0.000 1.131 288 W HN 0.689 nan 8.180 nan 0.000 0.695 289 I N -0.197 120.476 120.570 0.172 0.000 3.194 289 I HA 0.040 4.208 4.170 -0.003 0.000 0.271 289 I C 2.351 178.514 176.117 0.076 0.000 1.150 289 I CA 0.901 62.265 61.300 0.107 0.000 1.440 289 I CB -0.204 37.880 38.000 0.140 0.000 1.276 289 I HN -0.312 nan 8.210 nan 0.000 0.457 290 R N 0.352 120.902 120.500 0.084 0.000 2.193 290 R HA -0.053 4.286 4.340 -0.003 0.000 0.229 290 R C 2.050 178.404 176.300 0.089 0.000 1.110 290 R CA 1.152 57.304 56.100 0.085 0.000 0.988 290 R CB -0.595 29.745 30.300 0.067 0.000 0.871 290 R HN 0.528 nan 8.270 nan 0.000 0.458 291 G N 0.551 109.357 108.800 0.010 0.000 2.408 291 G HA2 -0.147 3.812 3.960 -0.003 0.000 0.213 291 G HA3 -0.147 3.812 3.960 -0.003 0.000 0.213 291 G C 1.527 176.201 174.900 -0.376 0.000 1.177 291 G CA 0.540 45.533 45.100 -0.178 0.000 0.802 291 G HN 0.346 nan 8.290 nan 0.000 0.533 292 A N 0.817 123.467 122.820 -0.284 0.000 1.902 292 A HA 0.065 4.383 4.320 -0.003 0.000 0.217 292 A C 2.365 179.873 177.584 -0.127 0.000 1.181 292 A CA 1.232 53.098 52.037 -0.286 0.000 0.623 292 A CB -0.375 18.431 19.000 -0.323 0.000 0.818 292 A HN 0.367 nan 8.150 nan 0.000 0.443 293 I N -2.075 118.489 120.570 -0.011 0.000 2.493 293 I HA -0.203 3.965 4.170 -0.003 0.000 0.254 293 I C 2.408 178.680 176.117 0.258 0.000 1.160 293 I CA 1.291 62.660 61.300 0.115 0.000 1.445 293 I CB -0.290 37.794 38.000 0.140 0.000 1.086 293 I HN 0.533 nan 8.210 nan 0.000 0.433 294 Y N 0.995 121.390 120.300 0.160 0.000 2.153 294 Y HA -0.257 4.292 4.550 -0.003 0.000 0.289 294 Y C 2.380 178.517 175.900 0.394 0.000 1.127 294 Y CA 1.415 59.662 58.100 0.246 0.000 1.131 294 Y CB -0.521 38.087 38.460 0.247 0.000 0.995 294 Y HN 0.036 nan 8.280 nan 0.000 0.505 295 Y N -1.057 119.308 120.300 0.108 0.000 2.256 295 Y HA -0.217 4.331 4.550 -0.003 0.000 0.288 295 Y C 2.245 178.246 175.900 0.168 0.000 1.155 295 Y CA 0.900 59.048 58.100 0.079 0.000 1.203 295 Y CB -1.347 37.285 38.460 0.286 0.000 0.980 295 Y HN 0.168 nan 8.280 nan 0.000 0.530 296 F N -0.066 119.970 119.950 0.144 0.000 2.293 296 F HA -0.055 4.471 4.527 -0.003 0.000 0.297 296 F C 2.193 178.020 175.800 0.044 0.000 1.089 296 F CA 0.771 58.823 58.000 0.086 0.000 1.377 296 F CB -0.428 38.620 39.000 0.080 0.000 1.051 296 F HN -0.072 nan 8.300 nan 0.000 0.511 297 K N 0.467 120.988 120.400 0.202 0.000 1.984 297 K HA -0.141 4.177 4.320 -0.003 0.000 0.209 297 K C 1.990 178.594 176.600 0.007 0.000 1.046 297 K CA 1.901 58.249 56.287 0.103 0.000 0.934 297 K CB -0.618 31.952 32.500 0.116 0.000 0.717 297 K HN 0.326 nan 8.250 nan 0.000 0.438 298 I N -1.581 118.919 120.570 -0.118 0.000 3.010 298 I HA -0.082 4.087 4.170 -0.003 0.000 0.271 298 I C 1.831 177.908 176.117 -0.067 0.000 1.293 298 I CA 1.060 62.282 61.300 -0.131 0.000 1.452 298 I CB -0.127 37.700 38.000 -0.288 0.000 1.082 298 I HN -0.065 nan 8.210 nan 0.000 0.484 299 A N 0.876 123.664 122.820 -0.054 0.000 1.878 299 A HA 0.051 4.369 4.320 -0.003 0.000 0.213 299 A C 2.323 179.879 177.584 -0.046 0.000 1.192 299 A CA 1.416 53.415 52.037 -0.064 0.000 0.619 299 A CB -0.990 17.930 19.000 -0.134 0.000 0.837 299 A HN 0.282 nan 8.150 nan 0.000 0.446 300 V N 0.153 120.051 119.914 -0.027 0.000 2.295 300 V HA -0.257 3.861 4.120 -0.003 0.000 0.246 300 V C 3.080 179.186 176.094 0.019 0.000 1.049 300 V CA 2.031 64.334 62.300 0.004 0.000 1.024 300 V CB -1.107 30.741 31.823 0.041 0.000 0.648 300 V HN 0.599 nan 8.190 nan 0.000 0.447 301 A N -0.464 122.370 122.820 0.023 0.000 1.902 301 A HA -0.177 4.141 4.320 -0.003 0.000 0.217 301 A C 2.242 179.839 177.584 0.022 0.000 1.181 301 A CA 1.677 53.732 52.037 0.031 0.000 0.623 301 A CB -0.601 18.418 19.000 0.032 0.000 0.818 301 A HN 0.395 nan 8.150 nan 0.000 0.443 302 L N -0.482 120.747 121.223 0.009 0.000 2.043 302 L HA -0.219 4.119 4.340 -0.003 0.000 0.212 302 L C 2.803 179.673 176.870 -0.000 0.000 1.075 302 L CA 2.451 57.295 54.840 0.007 0.000 0.752 302 L CB -1.341 40.718 42.059 -0.000 0.000 0.891 302 L HN 0.453 nan 8.230 nan 0.000 0.432 303 A N -1.149 121.667 122.820 -0.006 0.000 1.872 303 A HA -0.116 4.202 4.320 -0.003 0.000 0.214 303 A C 2.274 179.863 177.584 0.008 0.000 1.187 303 A CA 1.516 53.549 52.037 -0.006 0.000 0.614 303 A CB -0.757 18.237 19.000 -0.011 0.000 0.826 303 A HN 0.265 nan 8.150 nan 0.000 0.442 304 V N 0.018 119.944 119.914 0.019 0.000 2.392 304 V HA -0.267 3.851 4.120 -0.003 0.000 0.249 304 V C 2.920 179.028 176.094 0.023 0.000 1.059 304 V CA 1.987 64.304 62.300 0.029 0.000 1.051 304 V CB -1.147 30.704 31.823 0.046 0.000 0.658 304 V HN 0.605 nan 8.190 nan 0.000 0.455 305 A N -0.481 122.350 122.820 0.019 0.000 2.016 305 A HA 0.197 4.515 4.320 -0.003 0.000 0.217 305 A C 2.305 179.891 177.584 0.003 0.000 1.162 305 A CA 1.383 53.426 52.037 0.011 0.000 0.662 305 A CB -0.399 18.609 19.000 0.013 0.000 0.812 305 A HN 0.534 nan 8.150 nan 0.000 0.450 306 A N -0.650 122.174 122.820 0.006 0.000 2.021 306 A HA 0.291 4.609 4.320 -0.003 0.000 0.216 306 A C 0.737 178.341 177.584 0.033 0.000 1.163 306 A CA 0.406 52.448 52.037 0.009 0.000 0.676 306 A CB -0.108 18.888 19.000 -0.007 0.000 0.818 306 A HN 0.316 nan 8.150 nan 0.000 0.453 307 I N 1.128 121.714 120.570 0.028 0.000 2.342 307 I HA 0.248 4.417 4.170 -0.003 0.000 0.291 307 I C -2.526 173.601 176.117 0.018 0.000 1.010 307 I CA -2.857 58.467 61.300 0.039 0.000 1.308 307 I CB 0.908 38.922 38.000 0.023 0.000 1.400 307 I HN 0.030 nan 8.210 nan 0.000 0.488 308 P HA 0.246 nan 4.420 nan 0.000 0.241 308 P C 0.108 177.388 177.300 -0.034 0.000 1.780 308 P CA -0.328 62.756 63.100 -0.027 0.000 1.111 308 P CB 0.594 32.264 31.700 -0.049 0.000 1.852 309 E N 1.918 122.100 120.200 -0.030 0.000 2.273 309 E HA -0.140 4.208 4.350 -0.003 0.000 0.198 309 E C 2.123 178.690 176.600 -0.056 0.000 1.002 309 E CA 1.775 58.154 56.400 -0.035 0.000 0.828 309 E CB -0.616 29.072 29.700 -0.020 0.000 0.747 309 E HN 0.538 nan 8.360 nan 0.000 0.491 310 G N -0.419 108.338 108.800 -0.072 0.000 2.838 310 G HA2 -0.069 3.889 3.960 -0.003 0.000 0.210 310 G HA3 -0.069 3.889 3.960 -0.003 0.000 0.210 310 G C 1.274 176.107 174.900 -0.110 0.000 1.153 310 G CA -0.130 44.912 45.100 -0.097 0.000 0.778 310 G HN 0.143 nan 8.290 nan 0.000 0.539 311 L N 2.294 123.463 121.223 -0.090 0.000 1.971 311 L HA -0.041 4.297 4.340 -0.003 0.000 0.215 311 L C 0.492 177.316 176.870 -0.077 0.000 1.072 311 L CA 2.407 57.197 54.840 -0.083 0.000 0.758 311 L CB -1.079 40.947 42.059 -0.055 0.000 0.889 311 L HN 0.098 nan 8.230 nan 0.000 0.433 312 P HA -0.237 nan 4.420 nan 0.000 0.216 312 P C 1.382 178.652 177.300 -0.050 0.000 1.157 312 P CA 2.499 65.573 63.100 -0.043 0.000 0.880 312 P CB -0.215 31.457 31.700 -0.047 0.000 0.791 313 A N -0.423 122.352 122.820 -0.075 0.000 1.969 313 A HA -0.063 4.256 4.320 -0.003 0.000 0.218 313 A C 2.513 180.024 177.584 -0.121 0.000 1.169 313 A CA 1.535 53.522 52.037 -0.083 0.000 0.635 313 A CB -1.498 17.445 19.000 -0.096 0.000 0.810 313 A HN 0.085 nan 8.150 nan 0.000 0.445 314 V N 0.365 120.166 119.914 -0.189 0.000 2.270 314 V HA -0.243 3.875 4.120 -0.003 0.000 0.245 314 V C 2.427 178.339 176.094 -0.304 0.000 1.043 314 V CA 1.898 63.994 62.300 -0.339 0.000 1.014 314 V CB -0.651 30.849 31.823 -0.538 0.000 0.645 314 V HN 0.561 nan 8.190 nan 0.000 0.447 315 I N 0.084 120.564 120.570 -0.150 0.000 2.163 315 I HA -0.269 3.899 4.170 -0.003 0.000 0.243 315 I C 2.562 178.693 176.117 0.024 0.000 1.085 315 I CA 2.027 63.350 61.300 0.038 0.000 1.347 315 I CB -0.794 37.266 38.000 0.099 0.000 1.044 315 I HN 0.322 nan 8.210 nan 0.000 0.408 316 T N 0.092 114.657 114.554 0.018 0.000 2.803 316 T HA -0.156 4.192 4.350 -0.003 0.000 0.269 316 T C 1.847 176.592 174.700 0.074 0.000 1.052 316 T CA 1.926 64.071 62.100 0.075 0.000 1.136 316 T CB -0.245 68.701 68.868 0.129 0.000 0.864 316 T HN 0.395 nan 8.240 nan 0.000 0.467 317 T N 0.560 115.112 114.554 -0.003 0.000 2.851 317 T HA -0.085 4.264 4.350 -0.003 0.000 0.262 317 T C 2.263 176.939 174.700 -0.040 0.000 1.043 317 T CA 1.003 63.092 62.100 -0.019 0.000 1.140 317 T CB -0.680 68.139 68.868 -0.081 0.000 0.872 317 T HN 0.541 nan 8.240 nan 0.000 0.446 318 C N 1.482 120.735 119.300 -0.078 0.000 2.413 318 C HA -0.033 4.426 4.460 -0.003 0.000 0.276 318 C C 2.451 177.436 174.990 -0.008 0.000 1.248 318 C CA 0.520 59.498 59.018 -0.066 0.000 1.742 318 C CB -1.443 26.316 27.740 0.031 0.000 2.017 318 C HN 0.345 nan 8.230 nan 0.000 0.481 319 L N 1.537 122.773 121.223 0.022 0.000 2.141 319 L HA 0.081 4.419 4.340 -0.003 0.000 0.209 319 L C 2.856 179.734 176.870 0.014 0.000 1.094 319 L CA 2.066 56.917 54.840 0.019 0.000 0.763 319 L CB -1.406 40.664 42.059 0.018 0.000 0.908 319 L HN 0.457 nan 8.230 nan 0.000 0.437 320 A N -0.668 122.176 122.820 0.040 0.000 1.873 320 A HA -0.136 4.182 4.320 -0.003 0.000 0.215 320 A C 2.302 179.910 177.584 0.041 0.000 1.186 320 A CA 1.412 53.486 52.037 0.062 0.000 0.616 320 A CB -0.705 18.379 19.000 0.141 0.000 0.823 320 A HN 0.348 nan 8.150 nan 0.000 0.442 321 L N -0.581 120.660 121.223 0.029 0.000 2.046 321 L HA -0.145 4.193 4.340 -0.003 0.000 0.208 321 L C 2.826 179.713 176.870 0.028 0.000 1.077 321 L CA 1.162 56.022 54.840 0.033 0.000 0.747 321 L CB -0.927 41.152 42.059 0.033 0.000 0.896 321 L HN 0.500 nan 8.230 nan 0.000 0.432 322 G N -1.027 107.781 108.800 0.012 0.000 2.450 322 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.220 322 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.220 322 G C 1.583 176.486 174.900 0.005 0.000 1.130 322 G CA 1.300 46.405 45.100 0.009 0.000 0.760 322 G HN 0.267 nan 8.290 nan 0.000 0.557 323 T N 0.519 115.074 114.554 0.001 0.000 2.701 323 T HA -0.067 4.281 4.350 -0.003 0.000 0.263 323 T C 2.502 177.201 174.700 -0.001 0.000 1.040 323 T CA 1.006 63.100 62.100 -0.009 0.000 1.147 323 T CB -0.159 68.698 68.868 -0.019 0.000 0.865 323 T HN 0.257 nan 8.240 nan 0.000 0.426 324 R N 0.656 121.161 120.500 0.009 0.000 2.170 324 R HA -0.045 4.294 4.340 -0.003 0.000 0.242 324 R C 2.580 178.885 176.300 0.009 0.000 1.145 324 R CA 1.066 57.173 56.100 0.011 0.000 0.984 324 R CB -0.220 30.091 30.300 0.018 0.000 0.869 324 R HN 0.275 nan 8.270 nan 0.000 0.455 325 R N 0.411 120.918 120.500 0.012 0.000 2.148 325 R HA 0.009 4.347 4.340 -0.003 0.000 0.223 325 R C 2.126 178.428 176.300 0.005 0.000 1.088 325 R CA 0.902 57.010 56.100 0.012 0.000 0.985 325 R CB 0.144 30.457 30.300 0.023 0.000 0.880 325 R HN 0.154 nan 8.270 nan 0.000 0.451 326 M N -0.547 119.052 119.600 -0.001 0.000 2.236 326 M HA 0.014 4.492 4.480 -0.003 0.000 0.266 326 M C 2.418 178.713 176.300 -0.009 0.000 1.070 326 M CA 1.220 56.514 55.300 -0.009 0.000 1.137 326 M CB -0.401 32.189 32.600 -0.016 0.000 1.378 326 M HN 0.193 nan 8.290 nan 0.000 0.426 327 A N 0.839 123.655 122.820 -0.007 0.000 1.948 327 A HA -0.176 4.143 4.320 -0.003 0.000 0.220 327 A C 2.150 179.732 177.584 -0.002 0.000 1.177 327 A CA 1.542 53.576 52.037 -0.005 0.000 0.636 327 A CB -0.490 18.509 19.000 -0.002 0.000 0.815 327 A HN 0.293 nan 8.150 nan 0.000 0.449 328 K N 0.026 120.426 120.400 0.000 0.000 2.283 328 K HA -0.051 4.267 4.320 -0.003 0.000 0.202 328 K C 0.916 177.516 176.600 0.000 0.000 1.048 328 K CA 1.148 57.437 56.287 0.002 0.000 0.948 328 K CB -0.140 32.363 32.500 0.005 0.000 0.742 328 K HN 0.591 nan 8.250 nan 0.000 0.458 329 K N 1.088 121.486 120.400 -0.004 0.000 2.437 329 K HA 0.119 4.437 4.320 -0.003 0.000 0.205 329 K C -0.471 176.122 176.600 -0.011 0.000 1.026 329 K CA -0.222 56.061 56.287 -0.007 0.000 1.153 329 K CB 0.250 32.744 32.500 -0.011 0.000 0.863 329 K HN 0.035 nan 8.250 nan 0.000 0.502 330 N N 0.723 119.418 118.700 -0.008 0.000 2.756 330 N HA -0.177 4.561 4.740 -0.003 0.000 0.248 330 N C -1.009 174.491 175.510 -0.015 0.000 1.062 330 N CA 1.012 54.057 53.050 -0.009 0.000 0.696 330 N CB -1.291 37.193 38.487 -0.005 0.000 0.946 330 N HN 0.376 nan 8.380 nan 0.000 0.548 331 A N 0.423 123.231 122.820 -0.019 0.000 2.466 331 A HA 0.629 4.947 4.320 -0.003 0.000 0.291 331 A C -0.080 177.490 177.584 -0.023 0.000 1.234 331 A CA -0.566 51.456 52.037 -0.026 0.000 0.752 331 A CB 0.616 19.596 19.000 -0.034 0.000 1.153 331 A HN 0.151 nan 8.150 nan 0.000 0.458 332 I N 2.872 123.428 120.570 -0.022 0.000 2.291 332 I HA 0.228 4.396 4.170 -0.003 0.000 0.292 332 I C -0.001 176.098 176.117 -0.031 0.000 1.064 332 I CA -0.055 61.231 61.300 -0.023 0.000 1.269 332 I CB 1.273 39.262 38.000 -0.019 0.000 1.418 332 I HN 0.332 nan 8.210 nan 0.000 0.485 333 V N 7.875 127.767 119.914 -0.036 0.000 2.383 333 V HA 0.352 4.470 4.120 -0.003 0.000 0.275 333 V C 1.301 177.360 176.094 -0.058 0.000 1.036 333 V CA -0.571 61.702 62.300 -0.046 0.000 0.889 333 V CB 0.976 32.772 31.823 -0.046 0.000 0.985 333 V HN 0.659 nan 8.190 nan 0.000 0.459 334 R N 2.030 122.493 120.500 -0.062 0.000 2.080 334 R HA 0.063 4.402 4.340 -0.003 0.000 0.222 334 R C 1.130 177.367 176.300 -0.105 0.000 1.107 334 R CA 0.630 56.684 56.100 -0.077 0.000 0.980 334 R CB 0.056 30.318 30.300 -0.065 0.000 0.879 334 R HN 0.591 nan 8.270 nan 0.000 0.439 335 S N 1.037 116.679 115.700 -0.097 0.000 2.452 335 S HA 0.138 4.606 4.470 -0.003 0.000 0.284 335 S C 1.284 175.816 174.600 -0.113 0.000 1.171 335 S CA -0.677 57.455 58.200 -0.113 0.000 1.064 335 S CB 0.681 63.828 63.200 -0.089 0.000 0.967 335 S HN 0.066 nan 8.310 nan 0.000 0.484 336 L N 6.455 127.589 121.223 -0.149 0.000 1.971 336 L HA 0.015 4.353 4.340 -0.003 0.000 0.215 336 L C -0.628 176.197 176.870 -0.076 0.000 1.072 336 L CA 2.136 56.903 54.840 -0.122 0.000 0.758 336 L CB -2.678 39.288 42.059 -0.155 0.000 0.889 336 L HN 0.541 nan 8.230 nan 0.000 0.433 337 P HA -0.127 nan 4.420 nan 0.000 0.219 337 P C 1.784 179.054 177.300 -0.050 0.000 1.144 337 P CA 1.306 64.376 63.100 -0.050 0.000 0.806 337 P CB 0.038 31.707 31.700 -0.052 0.000 0.771 338 S N -0.764 114.901 115.700 -0.058 0.000 2.428 338 S HA -0.099 4.370 4.470 -0.003 0.000 0.230 338 S C 1.866 176.437 174.600 -0.048 0.000 1.014 338 S CA 1.283 59.450 58.200 -0.054 0.000 0.957 338 S CB -1.170 61.996 63.200 -0.057 0.000 0.784 338 S HN 0.158 nan 8.310 nan 0.000 0.499 339 V N 0.456 120.345 119.914 -0.041 0.000 2.720 339 V HA -0.107 4.011 4.120 -0.003 0.000 0.256 339 V C 2.126 178.207 176.094 -0.021 0.000 1.082 339 V CA 1.749 64.031 62.300 -0.029 0.000 1.101 339 V CB -0.494 31.317 31.823 -0.020 0.000 0.693 339 V HN 0.323 nan 8.190 nan 0.000 0.479 340 E N 1.286 121.470 120.200 -0.026 0.000 2.035 340 E HA -0.158 4.191 4.350 -0.003 0.000 0.191 340 E C 2.314 178.869 176.600 -0.075 0.000 0.966 340 E CA 1.764 58.147 56.400 -0.027 0.000 0.823 340 E CB -0.544 29.144 29.700 -0.020 0.000 0.791 340 E HN 0.542 nan 8.360 nan 0.000 0.459 341 T N 1.124 115.628 114.554 -0.085 0.000 2.969 341 T HA -0.136 4.212 4.350 -0.003 0.000 0.271 341 T C 1.867 176.516 174.700 -0.085 0.000 1.127 341 T CA 0.849 62.888 62.100 -0.101 0.000 1.102 341 T CB -0.261 68.560 68.868 -0.079 0.000 0.855 341 T HN 0.040 nan 8.240 nan 0.000 0.536 342 L N 1.239 122.422 121.223 -0.067 0.000 2.046 342 L HA 0.191 4.530 4.340 -0.003 0.000 0.208 342 L C 2.708 179.542 176.870 -0.059 0.000 1.077 342 L CA 2.153 56.958 54.840 -0.058 0.000 0.747 342 L CB -1.397 40.633 42.059 -0.049 0.000 0.896 342 L HN 0.389 nan 8.230 nan 0.000 0.432 343 G N -1.788 106.977 108.800 -0.058 0.000 2.448 343 G HA2 -0.248 3.711 3.960 -0.003 0.000 0.219 343 G HA3 -0.248 3.711 3.960 -0.003 0.000 0.219 343 G C 1.419 176.276 174.900 -0.072 0.000 1.127 343 G CA 0.984 46.055 45.100 -0.049 0.000 0.766 343 G HN 0.547 nan 8.290 nan 0.000 0.552 344 C N 1.059 120.292 119.300 -0.112 0.000 2.539 344 C HA 0.191 4.650 4.460 -0.003 0.000 0.271 344 C C 1.475 176.426 174.990 -0.064 0.000 1.412 344 C CA -0.822 58.129 59.018 -0.111 0.000 1.729 344 C CB -1.422 26.226 27.740 -0.154 0.000 1.739 344 C HN 0.271 nan 8.230 nan 0.000 0.570 345 T N 2.346 116.868 114.554 -0.054 0.000 2.765 345 T HA 0.010 4.358 4.350 -0.003 0.000 0.275 345 T C 1.209 175.895 174.700 -0.023 0.000 1.007 345 T CA 1.132 63.209 62.100 -0.037 0.000 1.175 345 T CB 0.309 69.151 68.868 -0.043 0.000 0.993 345 T HN 0.768 nan 8.240 nan 0.000 0.510 346 S N 1.891 117.586 115.700 -0.009 0.000 2.549 346 S HA 0.336 4.804 4.470 -0.003 0.000 0.225 346 S C 0.252 174.861 174.600 0.016 0.000 1.039 346 S CA -0.422 57.780 58.200 0.003 0.000 0.942 346 S CB 0.531 63.736 63.200 0.008 0.000 0.881 346 S HN 0.417 nan 8.310 nan 0.000 0.503 347 V N 2.049 121.976 119.914 0.022 0.000 2.686 347 V HA 0.563 4.681 4.120 -0.003 0.000 0.306 347 V C -1.118 175.002 176.094 0.044 0.000 1.065 347 V CA -0.768 61.556 62.300 0.039 0.000 0.894 347 V CB 1.793 33.649 31.823 0.054 0.000 1.004 347 V HN 0.373 nan 8.190 nan 0.000 0.424 348 I N 3.196 123.807 120.570 0.069 0.000 2.439 348 I HA 0.384 4.552 4.170 -0.003 0.000 0.283 348 I C -0.711 175.491 176.117 0.141 0.000 1.023 348 I CA -0.153 61.205 61.300 0.096 0.000 1.100 348 I CB 1.626 39.689 38.000 0.104 0.000 1.238 348 I HN 0.549 nan 8.210 nan 0.000 0.445 349 C N 4.230 123.600 119.300 0.116 0.000 2.265 349 C HA 0.524 4.983 4.460 -0.003 0.000 0.332 349 C C 0.722 175.789 174.990 0.127 0.000 1.248 349 C CA -0.327 58.759 59.018 0.114 0.000 1.727 349 C CB 0.324 28.120 27.740 0.094 0.000 2.348 349 C HN 0.757 nan 8.230 nan 0.000 0.519 350 S N 2.439 118.217 115.700 0.131 0.000 2.500 350 S HA 0.359 4.827 4.470 -0.003 0.000 0.301 350 S C -0.586 174.046 174.600 0.053 0.000 1.092 350 S CA -0.534 57.749 58.200 0.138 0.000 1.030 350 S CB 0.583 63.942 63.200 0.265 0.000 1.031 350 S HN 0.758 nan 8.310 nan 0.000 0.483 351 D N 2.841 123.274 120.400 0.055 0.000 2.382 351 D HA 0.091 4.729 4.640 -0.003 0.000 0.240 351 D C 0.817 177.119 176.300 0.003 0.000 1.146 351 D CA -0.030 53.988 54.000 0.029 0.000 0.897 351 D CB 0.968 41.786 40.800 0.031 0.000 1.197 351 D HN 0.542 nan 8.370 nan 0.000 0.432 352 K N 0.511 120.906 120.400 -0.009 0.000 2.025 352 K HA -0.035 4.284 4.320 -0.003 0.000 0.211 352 K C 0.155 176.747 176.600 -0.013 0.000 1.029 352 K CA 0.411 56.678 56.287 -0.033 0.000 0.948 352 K CB -0.280 32.202 32.500 -0.030 0.000 0.768 352 K HN 0.339 nan 8.250 nan 0.000 0.446 353 T N 1.038 115.592 114.554 -0.000 0.000 2.656 353 T HA 0.041 4.389 4.350 -0.003 0.000 0.258 353 T C 0.826 175.535 174.700 0.015 0.000 1.020 353 T CA 0.964 63.069 62.100 0.008 0.000 1.191 353 T CB -0.175 68.701 68.868 0.014 0.000 1.004 353 T HN 0.697 nan 8.240 nan 0.000 0.498 354 G N 3.433 112.243 108.800 0.016 0.000 2.320 354 G HA2 -0.339 3.619 3.960 -0.003 0.000 0.242 354 G HA3 -0.339 3.619 3.960 -0.003 0.000 0.242 354 G C 1.045 175.965 174.900 0.035 0.000 1.033 354 G CA 0.634 45.749 45.100 0.025 0.000 0.620 354 G HN 0.690 nan 8.290 nan 0.000 0.517 355 T N 0.592 115.169 114.554 0.039 0.000 3.031 355 T HA 0.271 4.619 4.350 -0.003 0.000 0.236 355 T C 2.079 176.819 174.700 0.066 0.000 1.005 355 T CA 1.252 63.398 62.100 0.076 0.000 1.230 355 T CB -0.189 68.743 68.868 0.106 0.000 0.913 355 T HN 0.090 nan 8.240 nan 0.000 0.419 356 L N 1.980 123.194 121.223 -0.016 0.000 2.376 356 L HA 0.186 4.525 4.340 -0.003 0.000 0.219 356 L C 1.366 178.201 176.870 -0.058 0.000 1.133 356 L CA 0.932 55.706 54.840 -0.109 0.000 0.816 356 L CB -1.157 40.766 42.059 -0.227 0.000 0.933 356 L HN 0.479 nan 8.230 nan 0.000 0.449 357 T N -6.402 108.136 114.554 -0.026 0.000 2.907 357 T HA 0.364 4.713 4.350 -0.003 0.000 0.290 357 T C 1.083 175.782 174.700 -0.003 0.000 1.066 357 T CA 0.047 62.136 62.100 -0.019 0.000 1.012 357 T CB 1.439 70.295 68.868 -0.021 0.000 1.184 357 T HN 0.079 nan 8.240 nan 0.000 0.522 358 T N -1.597 112.952 114.554 -0.009 0.000 3.023 358 T HA 0.052 4.401 4.350 -0.003 0.000 0.266 358 T C 1.040 175.742 174.700 0.004 0.000 1.093 358 T CA 1.024 63.120 62.100 -0.005 0.000 1.129 358 T CB -0.876 67.978 68.868 -0.023 0.000 0.899 358 T HN 0.992 nan 8.240 nan 0.000 0.491 359 N N 0.687 119.390 118.700 0.004 0.000 2.776 359 N HA -0.153 4.585 4.740 -0.003 0.000 0.249 359 N C -1.179 174.357 175.510 0.043 0.000 1.111 359 N CA 0.154 53.220 53.050 0.026 0.000 0.711 359 N CB -0.594 37.916 38.487 0.038 0.000 1.065 359 N HN 0.487 nan 8.380 nan 0.000 0.556 360 Q N 1.157 120.945 119.800 -0.020 0.000 2.571 360 Q HA 0.241 4.579 4.340 -0.003 0.000 0.243 360 Q C -0.165 175.742 176.000 -0.156 0.000 1.055 360 Q CA -0.334 55.391 55.803 -0.129 0.000 0.815 360 Q CB 1.138 29.740 28.738 -0.227 0.000 1.151 360 Q HN 0.321 nan 8.270 nan 0.000 0.519 361 M N 1.615 121.211 119.600 -0.007 0.000 2.249 361 M HA 0.079 4.557 4.480 -0.003 0.000 0.340 361 M C 0.019 176.292 176.300 -0.044 0.000 1.166 361 M CA 0.575 55.890 55.300 0.026 0.000 1.115 361 M CB 0.629 33.310 32.600 0.135 0.000 1.606 361 M HN 0.408 nan 8.290 nan 0.000 0.448 362 S N 2.696 118.375 115.700 -0.035 0.000 2.566 362 S HA 0.603 5.072 4.470 -0.003 0.000 0.273 362 S C -1.510 173.075 174.600 -0.025 0.000 1.157 362 S CA -0.940 57.230 58.200 -0.049 0.000 0.938 362 S CB 0.948 64.084 63.200 -0.106 0.000 1.087 362 S HN 0.408 nan 8.310 nan 0.000 0.474 363 V N 4.792 124.698 119.914 -0.014 0.000 2.455 363 V HA 0.246 4.364 4.120 -0.003 0.000 0.273 363 V C 1.116 177.186 176.094 -0.040 0.000 1.045 363 V CA -0.250 62.041 62.300 -0.016 0.000 0.976 363 V CB 0.254 32.072 31.823 -0.008 0.000 0.993 363 V HN 1.108 nan 8.190 nan 0.000 0.475 364 C N 2.341 121.603 119.300 -0.063 0.000 3.525 364 C HA 0.569 5.027 4.460 -0.003 0.000 0.289 364 C C 0.246 175.140 174.990 -0.160 0.000 1.496 364 C CA -0.844 58.116 59.018 -0.097 0.000 1.804 364 C CB -1.191 26.485 27.740 -0.106 0.000 2.708 364 C HN 0.770 nan 8.230 nan 0.000 0.642 365 K N 1.361 121.661 120.400 -0.167 0.000 2.572 365 K HA 0.662 4.981 4.320 -0.003 0.000 0.263 365 K C -1.213 175.425 176.600 0.063 0.000 0.932 365 K CA -0.167 55.940 56.287 -0.300 0.000 0.838 365 K CB 2.286 34.146 32.500 -1.066 0.000 1.366 365 K HN 0.551 nan 8.250 nan 0.000 0.425 366 M N 0.634 120.447 119.600 0.356 0.000 2.682 366 M HA 0.704 5.182 4.480 -0.003 0.000 0.272 366 M C -1.565 175.150 176.300 0.690 0.000 1.232 366 M CA -1.068 54.525 55.300 0.488 0.000 0.849 366 M CB 2.030 34.686 32.600 0.094 0.000 1.695 366 M HN 0.527 nan 8.290 nan 0.000 0.481 367 F N 0.871 121.016 119.950 0.326 0.000 2.678 367 F HA 0.912 5.438 4.527 -0.003 0.000 0.308 367 F C -1.748 174.133 175.800 0.136 0.000 1.118 367 F CA -1.085 57.077 58.000 0.269 0.000 0.959 367 F CB 1.336 40.469 39.000 0.222 0.000 1.305 367 F HN 0.880 nan 8.300 nan 0.000 0.443 368 I N 0.401 121.232 120.570 0.436 0.000 3.239 368 I HA 0.601 4.769 4.170 -0.003 0.000 0.314 368 I C -1.204 175.159 176.117 0.410 0.000 1.126 368 I CA -1.374 60.085 61.300 0.265 0.000 0.973 368 I CB 2.215 40.249 38.000 0.058 0.000 1.252 368 I HN 0.534 nan 8.210 nan 0.000 0.463 369 I N 2.269 123.039 120.570 0.334 0.000 2.416 369 I HA 0.076 4.245 4.170 -0.003 0.000 0.288 369 I C 0.585 176.833 176.117 0.218 0.000 1.051 369 I CA 0.553 62.027 61.300 0.290 0.000 1.375 369 I CB 0.811 38.977 38.000 0.278 0.000 1.407 369 I HN 0.812 nan 8.210 nan 0.000 0.516 370 D N 5.027 125.544 120.400 0.195 0.000 2.144 370 D HA -0.043 4.595 4.640 -0.003 0.000 0.207 370 D C 0.170 176.557 176.300 0.144 0.000 0.970 370 D CA 1.338 55.446 54.000 0.180 0.000 0.853 370 D CB 0.510 41.402 40.800 0.153 0.000 1.007 370 D HN 0.620 nan 8.370 nan 0.000 0.469 371 K N -1.489 118.987 120.400 0.126 0.000 2.639 371 K HA 0.495 4.813 4.320 -0.003 0.000 0.279 371 K C -2.058 174.607 176.600 0.107 0.000 0.976 371 K CA -0.890 55.463 56.287 0.109 0.000 0.861 371 K CB 1.408 33.963 32.500 0.092 0.000 1.436 371 K HN -0.172 nan 8.250 nan 0.000 0.400 372 V N 1.133 121.108 119.914 0.103 0.000 2.789 372 V HA 0.732 4.850 4.120 -0.003 0.000 0.311 372 V C -1.484 174.671 176.094 0.102 0.000 1.073 372 V CA -0.346 62.014 62.300 0.100 0.000 0.921 372 V CB 1.939 33.816 31.823 0.090 0.000 1.009 372 V HN 0.939 nan 8.190 nan 0.000 0.426 373 D N 2.085 122.555 120.400 0.118 0.000 2.400 373 D HA 0.509 5.147 4.640 -0.003 0.000 0.197 373 D C 0.236 176.618 176.300 0.135 0.000 1.295 373 D CA 1.127 55.204 54.000 0.128 0.000 0.878 373 D CB 1.233 42.124 40.800 0.151 0.000 1.659 373 D HN 1.048 nan 8.370 nan 0.000 0.546 374 G N 3.630 112.468 108.800 0.064 0.000 2.566 374 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.280 374 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.280 374 G C 0.572 175.415 174.900 -0.096 0.000 1.225 374 G CA 0.435 45.527 45.100 -0.014 0.000 0.966 374 G HN 0.562 nan 8.290 nan 0.000 0.560 375 D N 0.403 120.629 120.400 -0.291 0.000 2.349 375 D HA 0.161 4.800 4.640 -0.003 0.000 0.215 375 D C 0.730 176.851 176.300 -0.298 0.000 1.016 375 D CA 0.422 54.236 54.000 -0.309 0.000 0.870 375 D CB 0.001 40.570 40.800 -0.385 0.000 0.917 375 D HN 0.154 nan 8.370 nan 0.000 0.524 376 F N 1.011 120.963 119.950 0.004 0.000 2.456 376 F HA 0.213 4.738 4.527 -0.003 0.000 0.358 376 F C 0.814 176.619 175.800 0.008 0.000 1.095 376 F CA -0.849 57.153 58.000 0.004 0.000 1.216 376 F CB 0.831 39.835 39.000 0.007 0.000 1.125 376 F HN -0.157 nan 8.300 nan 0.000 0.549 377 C N 3.000 122.412 119.300 0.186 0.000 3.086 377 C HA 0.848 5.307 4.460 -0.003 0.000 0.311 377 C C -0.922 174.118 174.990 0.083 0.000 1.260 377 C CA -0.337 58.745 59.018 0.106 0.000 1.426 377 C CB 0.997 28.767 27.740 0.050 0.000 1.826 377 C HN 1.015 nan 8.230 nan 0.000 0.474 378 S N 4.953 120.697 115.700 0.072 0.000 2.543 378 S HA 0.760 5.228 4.470 -0.003 0.000 0.271 378 S C -1.363 173.276 174.600 0.066 0.000 1.148 378 S CA -0.657 57.576 58.200 0.054 0.000 0.914 378 S CB 0.887 64.124 63.200 0.062 0.000 1.096 378 S HN 0.874 nan 8.310 nan 0.000 0.471 379 L N 1.798 123.041 121.223 0.034 0.000 2.335 379 L HA 0.656 4.994 4.340 -0.003 0.000 0.268 379 L C -0.275 176.669 176.870 0.123 0.000 1.016 379 L CA -1.130 53.752 54.840 0.071 0.000 0.805 379 L CB 1.107 43.100 42.059 -0.110 0.000 1.311 379 L HN 0.662 nan 8.230 nan 0.000 0.456 380 N N 0.731 119.570 118.700 0.233 0.000 2.746 380 N HA 0.215 4.954 4.740 -0.003 0.000 0.250 380 N C -1.202 174.540 175.510 0.386 0.000 1.146 380 N CA -0.337 52.858 53.050 0.241 0.000 0.828 380 N CB 0.862 39.541 38.487 0.320 0.000 1.158 380 N HN 0.466 nan 8.380 nan 0.000 0.519 381 E N 1.004 121.331 120.200 0.211 0.000 2.349 381 E HA 0.362 4.710 4.350 -0.003 0.000 0.265 381 E C -0.461 176.184 176.600 0.075 0.000 1.064 381 E CA 0.020 56.643 56.400 0.372 0.000 0.886 381 E CB 1.169 31.059 29.700 0.317 0.000 1.036 381 E HN 0.237 nan 8.360 nan 0.000 0.413 382 F N -0.401 119.620 119.950 0.118 0.000 2.790 382 F HA 0.481 5.006 4.527 -0.003 0.000 0.337 382 F C -0.081 175.689 175.800 -0.050 0.000 1.163 382 F CA -0.733 57.265 58.000 -0.003 0.000 0.997 382 F CB 1.912 40.884 39.000 -0.047 0.000 1.437 382 F HN 0.221 nan 8.300 nan 0.000 0.512 383 S N 1.191 116.972 115.700 0.135 0.000 2.537 383 S HA 0.778 5.246 4.470 -0.003 0.000 0.270 383 S C -1.750 172.866 174.600 0.028 0.000 1.142 383 S CA -0.593 57.612 58.200 0.007 0.000 0.870 383 S CB 2.017 65.189 63.200 -0.046 0.000 1.112 383 S HN 0.319 nan 8.310 nan 0.000 0.466 384 I N 2.014 122.575 120.570 -0.016 0.000 2.785 384 I HA 0.610 4.779 4.170 -0.003 0.000 0.302 384 I C 0.182 176.280 176.117 -0.032 0.000 1.069 384 I CA -0.765 60.526 61.300 -0.014 0.000 1.045 384 I CB 1.590 39.576 38.000 -0.023 0.000 1.236 384 I HN 0.747 nan 8.210 nan 0.000 0.429 385 T N -0.740 113.798 114.554 -0.026 0.000 2.912 385 T HA 0.831 5.180 4.350 -0.003 0.000 0.288 385 T C 0.032 174.711 174.700 -0.035 0.000 1.030 385 T CA -0.669 61.413 62.100 -0.031 0.000 1.020 385 T CB 1.894 70.749 68.868 -0.022 0.000 1.056 385 T HN 1.495 nan 8.240 nan 0.000 0.480 386 G N 0.799 109.575 108.800 -0.040 0.000 3.434 386 G HA2 0.123 4.081 3.960 -0.003 0.000 0.686 386 G HA3 0.123 4.081 3.960 -0.003 0.000 0.686 386 G C 0.204 175.066 174.900 -0.063 0.000 1.099 386 G CA -0.111 44.962 45.100 -0.044 0.000 0.931 386 G HN 1.604 nan 8.290 nan 0.000 0.520 387 S N 0.202 115.857 115.700 -0.075 0.000 2.511 387 S HA 0.420 4.888 4.470 -0.003 0.000 0.214 387 S C 1.241 175.737 174.600 -0.174 0.000 0.997 387 S CA 1.159 59.293 58.200 -0.110 0.000 0.908 387 S CB 0.718 63.861 63.200 -0.096 0.000 0.803 387 S HN 1.869 nan 8.310 nan 0.000 0.504 388 T N 0.165 114.638 114.554 -0.136 0.000 2.882 388 T HA 0.319 4.668 4.350 -0.003 0.000 0.287 388 T C 0.381 174.993 174.700 -0.145 0.000 1.014 388 T CA -0.361 61.645 62.100 -0.157 0.000 1.049 388 T CB 0.233 69.079 68.868 -0.036 0.000 1.001 388 T HN 0.222 nan 8.240 nan 0.000 0.525 389 Y N 1.772 122.075 120.300 0.005 0.000 2.632 389 Y HA 0.311 4.859 4.550 -0.003 0.000 0.301 389 Y C 1.739 177.573 175.900 -0.110 0.000 1.172 389 Y CA 0.061 58.150 58.100 -0.019 0.000 1.328 389 Y CB -1.167 37.311 38.460 0.029 0.000 1.016 389 Y HN 0.731 nan 8.280 nan 0.000 0.529 390 A N 2.145 124.951 122.820 -0.023 0.000 2.498 390 A HA 0.139 4.457 4.320 -0.003 0.000 0.239 390 A C -1.433 175.939 177.584 -0.354 0.000 1.068 390 A CA -1.002 50.817 52.037 -0.364 0.000 0.766 390 A CB -0.060 18.899 19.000 -0.067 0.000 1.003 390 A HN 0.113 nan 8.150 nan 0.000 0.497 391 P HA 0.056 nan 4.420 nan 0.000 0.259 391 P C -0.521 176.686 177.300 -0.155 0.000 1.480 391 P CA 0.404 63.344 63.100 -0.266 0.000 0.842 391 P CB -0.208 31.334 31.700 -0.263 0.000 1.513 392 E N 0.442 120.565 120.200 -0.129 0.000 2.109 392 E HA 0.588 4.937 4.350 -0.003 0.000 0.278 392 E C 0.650 177.226 176.600 -0.039 0.000 0.954 392 E CA -0.612 55.757 56.400 -0.053 0.000 0.779 392 E CB 1.301 30.994 29.700 -0.012 0.000 1.093 392 E HN 0.161 nan 8.360 nan 0.000 0.401 393 G N 2.643 111.426 108.800 -0.027 0.000 2.333 393 G HA2 0.273 4.231 3.960 -0.003 0.000 0.288 393 G HA3 0.273 4.231 3.960 -0.003 0.000 0.288 393 G C -1.658 173.234 174.900 -0.013 0.000 1.286 393 G CA -0.772 44.315 45.100 -0.021 0.000 0.865 393 G HN 0.557 nan 8.290 nan 0.000 0.506 394 E N -1.911 118.284 120.200 -0.008 0.000 2.423 394 E HA 0.665 5.014 4.350 -0.003 0.000 0.280 394 E C -1.584 175.026 176.600 0.016 0.000 1.030 394 E CA -1.050 55.354 56.400 0.005 0.000 0.812 394 E CB 2.046 31.753 29.700 0.011 0.000 1.313 394 E HN 0.560 nan 8.360 nan 0.000 0.456 395 V N 1.203 121.140 119.914 0.038 0.000 2.732 395 V HA 0.674 4.792 4.120 -0.003 0.000 0.310 395 V C -0.512 175.646 176.094 0.108 0.000 1.053 395 V CA -0.592 61.757 62.300 0.081 0.000 0.957 395 V CB 1.013 32.889 31.823 0.088 0.000 1.018 395 V HN 0.655 nan 8.190 nan 0.000 0.452 396 L N 1.132 122.431 121.223 0.127 0.000 2.582 396 L HA 0.713 5.051 4.340 -0.003 0.000 0.257 396 L C -1.008 175.827 176.870 -0.058 0.000 0.974 396 L CA -0.800 54.072 54.840 0.052 0.000 0.851 396 L CB 1.969 44.036 42.059 0.014 0.000 1.424 396 L HN 0.537 nan 8.230 nan 0.000 0.412 397 K N 1.450 121.750 120.400 -0.167 0.000 2.345 397 K HA 0.557 4.875 4.320 -0.003 0.000 0.255 397 K C -0.547 175.947 176.600 -0.176 0.000 0.934 397 K CA -0.492 55.586 56.287 -0.350 0.000 0.801 397 K CB 1.082 33.241 32.500 -0.568 0.000 1.137 397 K HN 0.857 nan 8.250 nan 0.000 0.424 398 N N 4.117 122.725 118.700 -0.152 0.000 2.714 398 N HA -0.199 4.539 4.740 -0.003 0.000 0.253 398 N C -0.993 174.480 175.510 -0.063 0.000 1.024 398 N CA 0.809 53.806 53.050 -0.089 0.000 0.726 398 N CB -0.729 37.714 38.487 -0.075 0.000 0.908 398 N HN 0.875 nan 8.380 nan 0.000 0.542 399 D N -1.921 118.443 120.400 -0.061 0.000 2.955 399 D HA -0.246 4.393 4.640 -0.003 0.000 0.205 399 D C 0.265 176.547 176.300 -0.029 0.000 1.104 399 D CA 1.702 55.677 54.000 -0.041 0.000 1.005 399 D CB -0.331 40.449 40.800 -0.034 0.000 1.123 399 D HN 0.672 nan 8.370 nan 0.000 0.407 400 K N 1.008 121.389 120.400 -0.032 0.000 2.211 400 K HA 0.307 4.626 4.320 -0.003 0.000 0.275 400 K C -2.524 174.074 176.600 -0.003 0.000 1.024 400 K CA -1.866 54.413 56.287 -0.014 0.000 0.887 400 K CB 1.622 34.115 32.500 -0.012 0.000 1.084 400 K HN -0.119 nan 8.250 nan 0.000 0.463 401 P HA -0.018 nan 4.420 nan 0.000 0.268 401 P C -0.599 176.740 177.300 0.065 0.000 1.204 401 P CA -0.082 63.041 63.100 0.038 0.000 0.768 401 P CB 0.514 32.233 31.700 0.031 0.000 0.842 402 I N 0.565 121.202 120.570 0.111 0.000 3.145 402 I HA 0.576 4.744 4.170 -0.003 0.000 0.313 402 I C -0.961 175.271 176.117 0.192 0.000 1.122 402 I CA -1.960 59.447 61.300 0.178 0.000 0.987 402 I CB 2.162 40.337 38.000 0.292 0.000 1.236 402 I HN 0.276 nan 8.210 nan 0.000 0.453 403 R N 1.621 122.249 120.500 0.214 0.000 2.265 403 R HA 0.421 4.759 4.340 -0.003 0.000 0.328 403 R C 0.736 177.186 176.300 0.250 0.000 0.969 403 R CA -0.209 55.989 56.100 0.162 0.000 0.832 403 R CB 1.428 31.784 30.300 0.093 0.000 1.139 403 R HN 0.876 nan 8.270 nan 0.000 0.457 404 S N 2.375 118.175 115.700 0.167 0.000 2.365 404 S HA -0.188 4.280 4.470 -0.003 0.000 0.225 404 S C 1.922 176.607 174.600 0.141 0.000 1.039 404 S CA 1.578 59.852 58.200 0.123 0.000 1.033 404 S CB -0.223 62.939 63.200 -0.064 0.000 0.887 404 S HN 0.919 nan 8.310 nan 0.000 0.447 405 G N 1.516 110.334 108.800 0.030 0.000 2.556 405 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.220 405 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.220 405 G C 1.109 176.007 174.900 -0.003 0.000 1.156 405 G CA 1.048 46.127 45.100 -0.035 0.000 0.766 405 G HN 0.576 nan 8.290 nan 0.000 0.583 406 Q N -0.505 119.300 119.800 0.009 0.000 2.615 406 Q HA 0.067 4.405 4.340 -0.003 0.000 0.220 406 Q C -0.611 175.168 176.000 -0.368 0.000 0.981 406 Q CA 0.159 55.862 55.803 -0.166 0.000 0.939 406 Q CB -0.132 28.461 28.738 -0.242 0.000 0.982 406 Q HN 0.517 nan 8.270 nan 0.000 0.550 407 F N -0.773 119.164 119.950 -0.022 0.000 2.507 407 F HA 0.203 4.728 4.527 -0.003 0.000 0.328 407 F C 0.621 176.379 175.800 -0.071 0.000 1.136 407 F CA -1.056 56.935 58.000 -0.015 0.000 0.930 407 F CB 1.615 40.621 39.000 0.011 0.000 1.166 407 F HN -0.180 nan 8.300 nan 0.000 0.436 408 D N 2.434 122.892 120.400 0.097 0.000 2.084 408 D HA -0.108 4.530 4.640 -0.003 0.000 0.196 408 D C 2.269 178.565 176.300 -0.008 0.000 0.985 408 D CA 1.587 55.598 54.000 0.019 0.000 0.826 408 D CB -0.266 40.544 40.800 0.017 0.000 0.978 408 D HN 0.823 nan 8.370 nan 0.000 0.456 409 G N 0.910 109.726 108.800 0.026 0.000 2.499 409 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.221 409 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.221 409 G C 1.700 176.528 174.900 -0.120 0.000 1.109 409 G CA 0.301 45.378 45.100 -0.039 0.000 0.749 409 G HN 0.251 nan 8.290 nan 0.000 0.568 410 L N 0.137 121.293 121.223 -0.111 0.000 2.341 410 L HA 0.032 4.370 4.340 -0.003 0.000 0.214 410 L C 2.719 179.450 176.870 -0.232 0.000 1.115 410 L CA -0.022 54.684 54.840 -0.224 0.000 0.820 410 L CB 0.055 41.953 42.059 -0.267 0.000 0.944 410 L HN 0.122 nan 8.230 nan 0.000 0.452 411 V N -0.427 119.360 119.914 -0.212 0.000 2.283 411 V HA -0.239 3.879 4.120 -0.003 0.000 0.243 411 V C 2.306 178.247 176.094 -0.254 0.000 1.039 411 V CA 1.735 63.850 62.300 -0.309 0.000 1.016 411 V CB -0.449 31.184 31.823 -0.316 0.000 0.650 411 V HN 0.429 nan 8.190 nan 0.000 0.449 412 E N 0.466 120.548 120.200 -0.197 0.000 2.012 412 E HA -0.246 4.102 4.350 -0.003 0.000 0.197 412 E C 2.302 178.739 176.600 -0.272 0.000 1.007 412 E CA 1.633 57.905 56.400 -0.213 0.000 0.816 412 E CB -0.303 29.302 29.700 -0.157 0.000 0.762 412 E HN 0.352 nan 8.360 nan 0.000 0.451 413 L N 0.872 121.943 121.223 -0.253 0.000 2.054 413 L HA -0.286 4.052 4.340 -0.003 0.000 0.220 413 L C 2.264 178.984 176.870 -0.249 0.000 1.081 413 L CA 2.627 57.309 54.840 -0.263 0.000 0.780 413 L CB -1.417 40.481 42.059 -0.268 0.000 0.893 413 L HN 0.332 nan 8.230 nan 0.000 0.438 414 A N -1.295 121.379 122.820 -0.244 0.000 1.898 414 A HA -0.162 4.157 4.320 -0.003 0.000 0.216 414 A C 2.192 179.653 177.584 -0.205 0.000 1.181 414 A CA 1.986 53.897 52.037 -0.211 0.000 0.620 414 A CB -0.934 17.935 19.000 -0.219 0.000 0.819 414 A HN 0.535 nan 8.150 nan 0.000 0.442 415 T N 0.715 115.118 114.554 -0.252 0.000 2.652 415 T HA -0.156 4.192 4.350 -0.003 0.000 0.267 415 T C 1.801 176.239 174.700 -0.436 0.000 1.039 415 T CA 1.679 63.600 62.100 -0.298 0.000 1.153 415 T CB -0.519 68.128 68.868 -0.369 0.000 0.863 415 T HN 0.423 nan 8.240 nan 0.000 0.428 416 I N 1.027 121.253 120.570 -0.573 0.000 2.052 416 I HA -0.279 3.889 4.170 -0.003 0.000 0.235 416 I C 2.792 178.779 176.117 -0.217 0.000 1.046 416 I CA 1.274 62.285 61.300 -0.482 0.000 1.308 416 I CB -0.825 36.974 38.000 -0.334 0.000 1.031 416 I HN 0.322 nan 8.210 nan 0.000 0.395 417 C N 0.898 120.094 119.300 -0.172 0.000 2.391 417 C HA -0.281 4.178 4.460 -0.003 0.000 0.276 417 C C 3.049 177.993 174.990 -0.078 0.000 1.191 417 C CA 1.165 60.120 59.018 -0.105 0.000 1.808 417 C CB -1.610 26.066 27.740 -0.106 0.000 2.095 417 C HN 0.692 nan 8.230 nan 0.000 0.478 418 A N -0.848 121.917 122.820 -0.091 0.000 1.943 418 A HA 0.175 4.494 4.320 -0.003 0.000 0.213 418 A C 2.087 179.655 177.584 -0.026 0.000 1.181 418 A CA 0.797 52.804 52.037 -0.051 0.000 0.653 418 A CB -0.303 18.671 19.000 -0.042 0.000 0.833 418 A HN 0.572 nan 8.150 nan 0.000 0.451 419 L N -1.282 119.918 121.223 -0.038 0.000 2.102 419 L HA -0.043 4.296 4.340 -0.003 0.000 0.202 419 L C 1.731 178.648 176.870 0.078 0.000 1.076 419 L CA 0.588 55.455 54.840 0.044 0.000 0.761 419 L CB -0.359 41.777 42.059 0.128 0.000 0.921 419 L HN 0.440 nan 8.230 nan 0.000 0.444 420 C N 2.042 121.383 119.300 0.067 0.000 3.093 420 C HA 0.190 4.648 4.460 -0.003 0.000 0.515 420 C C 0.629 175.643 174.990 0.041 0.000 1.253 420 C CA -0.482 58.585 59.018 0.082 0.000 1.476 420 C CB -2.487 25.313 27.740 0.099 0.000 1.873 420 C HN 0.343 nan 8.230 nan 0.000 0.632 421 N N 0.088 118.805 118.700 0.030 0.000 2.966 421 N HA 0.384 5.122 4.740 -0.003 0.000 0.314 421 N C -0.488 175.033 175.510 0.019 0.000 1.397 421 N CA -0.224 52.833 53.050 0.012 0.000 0.776 421 N CB 1.933 40.417 38.487 -0.004 0.000 1.576 421 N HN 0.280 nan 8.380 nan 0.000 0.592 422 D N -1.001 119.403 120.400 0.006 0.000 2.601 422 D HA 0.242 4.880 4.640 -0.003 0.000 0.350 422 D C -0.893 175.404 176.300 -0.005 0.000 1.386 422 D CA 0.157 54.163 54.000 0.010 0.000 0.929 422 D CB 0.492 41.302 40.800 0.017 0.000 1.456 422 D HN 0.285 nan 8.370 nan 0.000 0.430 423 S N -0.657 115.032 115.700 -0.018 0.000 2.806 423 S HA 0.918 5.386 4.470 -0.003 0.000 0.315 423 S C -0.445 174.136 174.600 -0.032 0.000 1.127 423 S CA -0.530 57.649 58.200 -0.035 0.000 0.918 423 S CB 2.127 65.289 63.200 -0.062 0.000 1.240 423 S HN 0.133 nan 8.310 nan 0.000 0.552 424 S N -0.556 115.117 115.700 -0.045 0.000 2.611 424 S HA 0.560 5.028 4.470 -0.003 0.000 0.270 424 S C -1.523 173.058 174.600 -0.031 0.000 1.131 424 S CA -0.926 57.258 58.200 -0.026 0.000 0.826 424 S CB 0.109 63.308 63.200 -0.003 0.000 1.095 424 S HN 0.510 nan 8.310 nan 0.000 0.461 425 L N 0.994 122.222 121.223 0.009 0.000 2.439 425 L HA 0.750 5.088 4.340 -0.003 0.000 0.259 425 L C -0.622 176.312 176.870 0.107 0.000 1.129 425 L CA -0.263 54.612 54.840 0.058 0.000 0.803 425 L CB 1.084 43.208 42.059 0.107 0.000 1.161 425 L HN 0.951 nan 8.230 nan 0.000 0.462 426 D N 0.312 120.807 120.400 0.158 0.000 2.738 426 D HA 0.198 4.836 4.640 -0.003 0.000 0.218 426 D C -1.290 175.094 176.300 0.140 0.000 1.345 426 D CA -0.445 53.636 54.000 0.135 0.000 0.943 426 D CB 0.981 41.812 40.800 0.050 0.000 1.514 426 D HN 0.161 nan 8.370 nan 0.000 0.585 427 F N 4.026 123.959 119.950 -0.030 0.000 2.456 427 F HA 0.372 4.897 4.527 -0.003 0.000 0.358 427 F C 0.229 175.935 175.800 -0.157 0.000 1.095 427 F CA -0.376 57.465 58.000 -0.265 0.000 1.216 427 F CB 0.606 39.357 39.000 -0.415 0.000 1.125 427 F HN 0.279 nan 8.300 nan 0.000 0.549 428 N N 4.903 123.043 118.700 -0.934 0.000 2.498 428 N HA 0.057 4.795 4.740 -0.003 0.000 0.287 428 N C 0.600 175.689 175.510 -0.701 0.000 1.097 428 N CA -0.238 52.454 53.050 -0.597 0.000 0.973 428 N CB 1.103 39.341 38.487 -0.415 0.000 1.153 428 N HN 0.672 nan 8.380 nan 0.000 0.472 429 E N 2.030 122.075 120.200 -0.258 0.000 2.011 429 E HA -0.073 4.275 4.350 -0.003 0.000 0.191 429 E C 1.472 178.007 176.600 -0.108 0.000 0.980 429 E CA 1.444 57.790 56.400 -0.090 0.000 0.814 429 E CB -0.877 28.816 29.700 -0.011 0.000 0.775 429 E HN 0.655 nan 8.360 nan 0.000 0.454 430 T N 2.405 116.902 114.554 -0.094 0.000 2.580 430 T HA -0.169 4.179 4.350 -0.003 0.000 0.265 430 T C 1.941 176.583 174.700 -0.098 0.000 1.063 430 T CA 2.069 64.126 62.100 -0.071 0.000 1.170 430 T CB -0.253 68.582 68.868 -0.055 0.000 0.863 430 T HN -0.004 nan 8.240 nan 0.000 0.418 431 K N 0.621 120.937 120.400 -0.141 0.000 2.103 431 K HA 0.080 4.398 4.320 -0.003 0.000 0.207 431 K C 1.590 178.081 176.600 -0.182 0.000 1.048 431 K CA 1.064 57.264 56.287 -0.144 0.000 0.930 431 K CB -0.752 31.655 32.500 -0.155 0.000 0.716 431 K HN 0.529 nan 8.250 nan 0.000 0.444 432 G N -0.020 108.572 108.800 -0.347 0.000 2.160 432 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.244 432 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.244 432 G C -0.059 174.603 174.900 -0.397 0.000 1.022 432 G CA 0.254 45.150 45.100 -0.339 0.000 0.741 432 G HN 0.413 nan 8.290 nan 0.000 0.508 433 V N -3.944 115.603 119.914 -0.612 0.000 3.078 433 V HA 0.830 4.949 4.120 -0.003 0.000 0.311 433 V C -0.111 175.753 176.094 -0.383 0.000 1.138 433 V CA -2.526 59.599 62.300 -0.290 0.000 1.007 433 V CB 1.359 33.150 31.823 -0.054 0.000 1.045 433 V HN 0.351 nan 8.190 nan 0.000 0.432 434 Y N 0.895 121.205 120.300 0.017 0.000 2.402 434 Y HA 0.514 5.062 4.550 -0.003 0.000 0.333 434 Y C 0.803 176.737 175.900 0.058 0.000 1.076 434 Y CA 0.073 58.220 58.100 0.079 0.000 1.299 434 Y CB 0.524 39.096 38.460 0.186 0.000 1.197 434 Y HN 0.663 nan 8.280 nan 0.000 0.517 435 E N 3.283 123.554 120.200 0.119 0.000 2.191 435 E HA 0.218 4.566 4.350 -0.003 0.000 0.274 435 E C -0.650 175.938 176.600 -0.019 0.000 0.948 435 E CA -1.232 55.204 56.400 0.060 0.000 0.802 435 E CB 1.500 31.195 29.700 -0.009 0.000 1.137 435 E HN 0.498 nan 8.360 nan 0.000 0.397 436 K N 0.878 121.182 120.400 -0.160 0.000 2.326 436 K HA 0.199 4.517 4.320 -0.003 0.000 0.275 436 K C -0.697 175.792 176.600 -0.185 0.000 1.018 436 K CA -0.333 55.727 56.287 -0.379 0.000 0.962 436 K CB 0.726 32.758 32.500 -0.780 0.000 0.953 436 K HN 0.168 nan 8.250 nan 0.000 0.475 437 V N 3.258 123.081 119.914 -0.153 0.000 2.250 437 V HA 0.497 4.615 4.120 -0.003 0.000 0.268 437 V C 0.522 176.565 176.094 -0.084 0.000 1.043 437 V CA 0.193 62.442 62.300 -0.085 0.000 0.814 437 V CB -0.321 31.474 31.823 -0.047 0.000 1.072 437 V HN 1.180 nan 8.190 nan 0.000 0.451 438 G N 3.687 112.439 108.800 -0.081 0.000 2.306 438 G HA2 -0.027 3.931 3.960 -0.003 0.000 0.262 438 G HA3 -0.027 3.931 3.960 -0.003 0.000 0.262 438 G C -0.562 174.293 174.900 -0.074 0.000 1.263 438 G CA -0.706 44.356 45.100 -0.063 0.000 1.088 438 G HN 0.635 nan 8.290 nan 0.000 0.489 439 E N 0.620 120.784 120.200 -0.060 0.000 2.502 439 E HA 0.485 4.833 4.350 -0.003 0.000 0.261 439 E C 1.436 177.996 176.600 -0.067 0.000 0.974 439 E CA 1.279 57.646 56.400 -0.055 0.000 0.936 439 E CB 1.039 30.706 29.700 -0.056 0.000 0.926 439 E HN 1.294 nan 8.360 nan 0.000 0.459 440 A N 3.261 126.065 122.820 -0.028 0.000 1.968 440 A HA -0.110 4.208 4.320 -0.003 0.000 0.217 440 A C 2.049 179.670 177.584 0.062 0.000 1.169 440 A CA 1.670 53.726 52.037 0.032 0.000 0.638 440 A CB -0.309 18.765 19.000 0.123 0.000 0.812 440 A HN 0.682 nan 8.150 nan 0.000 0.446 441 T N -0.110 114.453 114.554 0.015 0.000 2.867 441 T HA -0.086 4.262 4.350 -0.003 0.000 0.268 441 T C 1.728 176.425 174.700 -0.004 0.000 1.057 441 T CA 1.612 63.716 62.100 0.007 0.000 1.136 441 T CB -0.105 68.740 68.868 -0.038 0.000 0.874 441 T HN 0.651 nan 8.240 nan 0.000 0.466 442 E N 0.506 120.688 120.200 -0.030 0.000 2.042 442 E HA -0.049 4.299 4.350 -0.003 0.000 0.189 442 E C 2.508 179.087 176.600 -0.036 0.000 0.974 442 E CA 1.121 57.500 56.400 -0.035 0.000 0.806 442 E CB -0.201 29.473 29.700 -0.044 0.000 0.769 442 E HN 0.293 nan 8.360 nan 0.000 0.451 443 T N 1.548 116.054 114.554 -0.080 0.000 2.653 443 T HA -0.287 4.061 4.350 -0.003 0.000 0.268 443 T C 2.022 176.718 174.700 -0.008 0.000 1.035 443 T CA 1.548 63.566 62.100 -0.136 0.000 1.154 443 T CB -0.419 68.192 68.868 -0.428 0.000 0.862 443 T HN 0.278 nan 8.240 nan 0.000 0.441 444 A N 1.068 123.956 122.820 0.114 0.000 1.927 444 A HA -0.113 4.205 4.320 -0.003 0.000 0.220 444 A C 2.219 179.842 177.584 0.065 0.000 1.185 444 A CA 1.492 53.635 52.037 0.176 0.000 0.639 444 A CB -0.856 18.234 19.000 0.150 0.000 0.820 444 A HN 0.369 nan 8.150 nan 0.000 0.451 445 L N -0.459 120.778 121.223 0.023 0.000 2.046 445 L HA -0.111 4.228 4.340 -0.003 0.000 0.208 445 L C 2.744 179.603 176.870 -0.020 0.000 1.077 445 L CA 2.418 57.252 54.840 -0.010 0.000 0.747 445 L CB -1.245 40.801 42.059 -0.021 0.000 0.896 445 L HN 0.404 nan 8.230 nan 0.000 0.432 446 T N -1.585 112.959 114.554 -0.017 0.000 2.708 446 T HA -0.180 4.168 4.350 -0.003 0.000 0.266 446 T C 1.770 176.460 174.700 -0.017 0.000 1.037 446 T CA 1.893 63.980 62.100 -0.022 0.000 1.146 446 T CB -0.346 68.505 68.868 -0.028 0.000 0.865 446 T HN 0.324 nan 8.240 nan 0.000 0.435 447 T N 2.278 116.834 114.554 0.003 0.000 2.849 447 T HA -0.042 4.307 4.350 -0.003 0.000 0.270 447 T C 1.836 176.524 174.700 -0.021 0.000 1.066 447 T CA 0.702 62.803 62.100 0.001 0.000 1.130 447 T CB -0.377 68.533 68.868 0.070 0.000 0.864 447 T HN 0.125 nan 8.240 nan 0.000 0.481 448 L N 2.226 123.437 121.223 -0.020 0.000 2.005 448 L HA -0.022 4.316 4.340 -0.003 0.000 0.207 448 L C 2.635 179.471 176.870 -0.056 0.000 1.072 448 L CA 1.607 56.423 54.840 -0.040 0.000 0.744 448 L CB -0.950 41.082 42.059 -0.045 0.000 0.895 448 L HN 0.248 nan 8.230 nan 0.000 0.433 449 V N -2.658 117.222 119.914 -0.057 0.000 2.469 449 V HA -0.183 3.935 4.120 -0.003 0.000 0.251 449 V C 2.276 178.343 176.094 -0.044 0.000 1.064 449 V CA 1.793 64.056 62.300 -0.062 0.000 1.066 449 V CB -1.040 30.750 31.823 -0.054 0.000 0.667 449 V HN 0.509 nan 8.190 nan 0.000 0.461 450 E N 0.946 121.123 120.200 -0.038 0.000 2.150 450 E HA -0.120 4.228 4.350 -0.003 0.000 0.193 450 E C 2.170 178.747 176.600 -0.039 0.000 0.985 450 E CA 1.369 57.748 56.400 -0.034 0.000 0.814 450 E CB -0.162 29.510 29.700 -0.048 0.000 0.752 450 E HN 0.724 nan 8.360 nan 0.000 0.466 451 K N -0.129 120.244 120.400 -0.046 0.000 2.137 451 K HA 0.117 4.436 4.320 -0.003 0.000 0.202 451 K C 2.294 178.871 176.600 -0.037 0.000 1.052 451 K CA 0.605 56.868 56.287 -0.040 0.000 0.961 451 K CB 0.017 32.493 32.500 -0.041 0.000 0.741 451 K HN 0.048 nan 8.250 nan 0.000 0.452 452 M N 0.670 120.237 119.600 -0.056 0.000 2.077 452 M HA -0.108 4.370 4.480 -0.003 0.000 0.261 452 M C 0.489 176.751 176.300 -0.062 0.000 1.070 452 M CA 0.653 55.909 55.300 -0.074 0.000 1.125 452 M CB -0.460 32.067 32.600 -0.121 0.000 1.339 452 M HN 0.158 nan 8.290 nan 0.000 0.409 453 N N 1.307 119.973 118.700 -0.056 0.000 2.614 453 N HA -0.122 4.616 4.740 -0.003 0.000 0.276 453 N C 0.300 175.766 175.510 -0.073 0.000 1.119 453 N CA 0.573 53.605 53.050 -0.031 0.000 0.742 453 N CB -0.371 38.116 38.487 -0.000 0.000 0.900 453 N HN 0.330 nan 8.380 nan 0.000 0.549 454 V N -1.514 118.287 119.914 -0.188 0.000 3.078 454 V HA -0.001 4.118 4.120 -0.003 0.000 0.265 454 V C 1.375 177.209 176.094 -0.432 0.000 1.122 454 V CA 1.301 63.390 62.300 -0.352 0.000 1.141 454 V CB -0.728 30.764 31.823 -0.552 0.000 0.735 454 V HN 0.302 nan 8.190 nan 0.000 0.498 455 F N 1.526 121.467 119.950 -0.016 0.000 2.708 455 F HA 0.484 5.009 4.527 -0.003 0.000 0.300 455 F C 1.098 176.894 175.800 -0.007 0.000 1.118 455 F CA -1.181 56.811 58.000 -0.012 0.000 1.307 455 F CB -0.764 38.226 39.000 -0.017 0.000 0.986 455 F HN 0.182 nan 8.300 nan 0.000 0.522 456 N N -0.508 118.262 118.700 0.116 0.000 2.644 456 N HA -0.213 4.526 4.740 -0.003 0.000 0.248 456 N C 0.006 175.563 175.510 0.077 0.000 1.150 456 N CA 1.141 54.237 53.050 0.077 0.000 0.727 456 N CB -2.027 36.499 38.487 0.065 0.000 1.091 456 N HN 0.195 nan 8.380 nan 0.000 0.556 457 T N 1.988 116.602 114.554 0.099 0.000 2.800 457 T HA -0.074 4.275 4.350 -0.003 0.000 0.283 457 T C 0.698 175.423 174.700 0.041 0.000 0.999 457 T CA 0.214 62.355 62.100 0.068 0.000 1.176 457 T CB 0.611 69.523 68.868 0.074 0.000 0.973 457 T HN 0.012 nan 8.240 nan 0.000 0.519 458 E N 3.148 123.365 120.200 0.028 0.000 2.341 458 E HA 0.058 4.406 4.350 -0.003 0.000 0.256 458 E C 1.103 177.712 176.600 0.016 0.000 1.125 458 E CA 0.053 56.464 56.400 0.019 0.000 0.939 458 E CB 0.517 30.225 29.700 0.013 0.000 0.991 458 E HN 0.594 nan 8.360 nan 0.000 0.458 459 V N 1.781 121.704 119.914 0.015 0.000 3.612 459 V HA 0.044 4.162 4.120 -0.003 0.000 0.268 459 V C 1.821 177.920 176.094 0.008 0.000 1.365 459 V CA 0.206 62.513 62.300 0.012 0.000 1.044 459 V CB -0.132 31.699 31.823 0.014 0.000 0.820 459 V HN 0.508 nan 8.190 nan 0.000 0.444 460 R N 1.989 122.493 120.500 0.007 0.000 2.249 460 R HA -0.086 4.253 4.340 -0.003 0.000 0.230 460 R C 1.442 177.742 176.300 -0.000 0.000 1.121 460 R CA 2.020 58.122 56.100 0.004 0.000 0.997 460 R CB -1.054 29.249 30.300 0.005 0.000 0.867 460 R HN 0.724 nan 8.270 nan 0.000 0.465 461 N N 1.385 120.085 118.700 0.000 0.000 2.083 461 N HA -0.000 4.738 4.740 -0.003 0.000 0.190 461 N C 0.313 175.818 175.510 -0.008 0.000 1.047 461 N CA 0.195 53.243 53.050 -0.003 0.000 0.845 461 N CB -0.260 38.227 38.487 -0.001 0.000 1.025 461 N HN -0.034 nan 8.380 nan 0.000 0.428 462 L N 2.075 123.295 121.223 -0.006 0.000 2.613 462 L HA -0.115 4.223 4.340 -0.003 0.000 0.304 462 L C 0.995 177.852 176.870 -0.022 0.000 1.266 462 L CA -0.331 54.504 54.840 -0.010 0.000 0.868 462 L CB -0.050 42.009 42.059 -0.000 0.000 1.111 462 L HN 0.360 nan 8.230 nan 0.000 0.515 463 S N 1.483 117.160 115.700 -0.038 0.000 2.652 463 S HA 0.222 4.690 4.470 -0.003 0.000 0.267 463 S C 0.841 175.379 174.600 -0.104 0.000 1.201 463 S CA -0.760 57.395 58.200 -0.076 0.000 0.996 463 S CB 1.161 64.309 63.200 -0.086 0.000 1.054 463 S HN 0.510 nan 8.310 nan 0.000 0.561 464 K N 0.260 120.524 120.400 -0.227 0.000 1.988 464 K HA -0.084 4.234 4.320 -0.003 0.000 0.221 464 K C 2.007 178.474 176.600 -0.221 0.000 1.053 464 K CA 1.970 58.036 56.287 -0.369 0.000 0.959 464 K CB -1.372 30.486 32.500 -1.071 0.000 0.728 464 K HN 0.480 nan 8.250 nan 0.000 0.447 465 V N 1.305 121.064 119.914 -0.258 0.000 2.469 465 V HA -0.267 3.851 4.120 -0.003 0.000 0.251 465 V C 2.007 178.125 176.094 0.040 0.000 1.064 465 V CA 2.035 64.324 62.300 -0.019 0.000 1.066 465 V CB -0.542 31.292 31.823 0.018 0.000 0.667 465 V HN 0.389 nan 8.190 nan 0.000 0.461 466 E N 0.620 120.821 120.200 0.002 0.000 2.047 466 E HA -0.242 4.106 4.350 -0.003 0.000 0.191 466 E C 2.306 178.929 176.600 0.038 0.000 0.987 466 E CA 1.471 57.882 56.400 0.018 0.000 0.799 466 E CB -0.218 29.481 29.700 -0.001 0.000 0.752 466 E HN 0.697 nan 8.360 nan 0.000 0.449 467 R N 1.062 121.588 120.500 0.044 0.000 2.307 467 R HA 0.146 4.485 4.340 -0.003 0.000 0.199 467 R C 1.953 178.298 176.300 0.074 0.000 1.000 467 R CA 0.929 57.058 56.100 0.049 0.000 1.023 467 R CB -0.151 30.170 30.300 0.035 0.000 0.908 467 R HN 0.059 nan 8.270 nan 0.000 0.473 468 A N 2.094 125.001 122.820 0.145 0.000 1.859 468 A HA -0.209 4.109 4.320 -0.003 0.000 0.218 468 A C 1.474 179.109 177.584 0.084 0.000 1.209 468 A CA 1.837 53.987 52.037 0.188 0.000 0.639 468 A CB -0.598 18.576 19.000 0.290 0.000 0.835 468 A HN 0.574 nan 8.150 nan 0.000 0.450 469 N N -0.544 118.199 118.700 0.073 0.000 2.214 469 N HA 0.325 5.063 4.740 -0.003 0.000 0.214 469 N C 1.379 176.908 175.510 0.032 0.000 1.132 469 N CA 0.685 53.761 53.050 0.043 0.000 0.856 469 N CB 0.249 38.762 38.487 0.043 0.000 1.020 469 N HN 0.489 nan 8.380 nan 0.000 0.509 470 A N 1.110 123.950 122.820 0.033 0.000 1.848 470 A HA -0.233 4.085 4.320 -0.003 0.000 0.217 470 A C 2.345 179.945 177.584 0.027 0.000 1.220 470 A CA 1.587 53.640 52.037 0.027 0.000 0.645 470 A CB -1.133 17.882 19.000 0.025 0.000 0.842 470 A HN 0.459 nan 8.150 nan 0.000 0.451 471 C N -0.276 119.041 119.300 0.028 0.000 2.409 471 C HA -0.068 4.390 4.460 -0.003 0.000 0.288 471 C C 2.633 177.649 174.990 0.043 0.000 1.395 471 C CA 0.923 59.966 59.018 0.042 0.000 1.792 471 C CB -1.730 26.026 27.740 0.028 0.000 1.847 471 C HN 0.605 nan 8.230 nan 0.000 0.534 472 N N 0.906 119.621 118.700 0.025 0.000 2.182 472 N HA -0.063 4.676 4.740 -0.003 0.000 0.186 472 N C 1.923 177.446 175.510 0.023 0.000 1.036 472 N CA 1.284 54.346 53.050 0.019 0.000 0.850 472 N CB -0.425 38.068 38.487 0.010 0.000 1.010 472 N HN 0.396 nan 8.380 nan 0.000 0.432 473 S N 1.016 116.728 115.700 0.020 0.000 2.392 473 S HA -0.109 4.359 4.470 -0.003 0.000 0.232 473 S C 2.260 176.864 174.600 0.008 0.000 1.041 473 S CA 0.985 59.193 58.200 0.014 0.000 1.026 473 S CB -0.417 62.791 63.200 0.014 0.000 0.845 473 S HN 0.103 nan 8.310 nan 0.000 0.465 474 V N 2.100 122.022 119.914 0.014 0.000 2.261 474 V HA -0.157 3.961 4.120 -0.003 0.000 0.246 474 V C 2.088 178.178 176.094 -0.007 0.000 1.047 474 V CA 1.608 63.905 62.300 -0.005 0.000 1.015 474 V CB -0.683 31.154 31.823 0.023 0.000 0.642 474 V HN 0.484 nan 8.190 nan 0.000 0.446 475 I N -0.348 120.254 120.570 0.054 0.000 2.394 475 I HA -0.193 3.975 4.170 -0.003 0.000 0.251 475 I C 2.570 178.706 176.117 0.031 0.000 1.136 475 I CA 1.282 62.627 61.300 0.075 0.000 1.425 475 I CB -0.500 37.556 38.000 0.092 0.000 1.079 475 I HN 0.236 nan 8.210 nan 0.000 0.425 476 R N 0.495 121.008 120.500 0.021 0.000 2.341 476 R HA -0.133 4.205 4.340 -0.003 0.000 0.213 476 R C 2.065 178.372 176.300 0.011 0.000 1.082 476 R CA 0.642 56.755 56.100 0.021 0.000 1.017 476 R CB -0.060 30.251 30.300 0.018 0.000 0.860 476 R HN 0.466 nan 8.270 nan 0.000 0.473 477 Q N 0.191 119.985 119.800 -0.009 0.000 2.061 477 Q HA -0.004 4.334 4.340 -0.003 0.000 0.195 477 Q C 2.082 178.067 176.000 -0.025 0.000 0.967 477 Q CA 0.902 56.689 55.803 -0.025 0.000 0.829 477 Q CB -0.218 28.487 28.738 -0.054 0.000 0.900 477 Q HN 0.192 nan 8.270 nan 0.000 0.450 478 L N -0.215 120.983 121.223 -0.041 0.000 2.357 478 L HA -0.152 4.186 4.340 -0.003 0.000 0.220 478 L C 0.825 177.709 176.870 0.023 0.000 1.123 478 L CA 1.405 56.229 54.840 -0.027 0.000 0.782 478 L CB -0.349 41.697 42.059 -0.021 0.000 0.910 478 L HN 0.167 nan 8.230 nan 0.000 0.442 479 M N -1.545 118.081 119.600 0.043 0.000 2.575 479 M HA 0.311 4.790 4.480 -0.003 0.000 0.284 479 M C -0.673 175.653 176.300 0.043 0.000 1.253 479 M CA -0.679 54.658 55.300 0.063 0.000 0.861 479 M CB 2.389 35.079 32.600 0.149 0.000 1.733 479 M HN -0.214 nan 8.290 nan 0.000 0.462 480 K N 1.833 122.250 120.400 0.028 0.000 2.307 480 K HA 0.309 4.627 4.320 -0.003 0.000 0.263 480 K C -0.597 176.009 176.600 0.011 0.000 0.973 480 K CA -0.357 55.942 56.287 0.019 0.000 0.846 480 K CB 1.309 33.818 32.500 0.015 0.000 1.100 480 K HN 0.588 nan 8.250 nan 0.000 0.438 481 K N 5.058 125.467 120.400 0.014 0.000 2.171 481 K HA 0.004 4.322 4.320 -0.003 0.000 0.274 481 K C 0.554 177.141 176.600 -0.020 0.000 1.110 481 K CA -0.106 56.177 56.287 -0.007 0.000 0.952 481 K CB 0.533 33.043 32.500 0.017 0.000 1.309 481 K HN 0.620 nan 8.250 nan 0.000 0.414 482 E N 2.442 122.605 120.200 -0.061 0.000 2.007 482 E HA -0.164 4.184 4.350 -0.003 0.000 0.203 482 E C 0.637 177.260 176.600 0.039 0.000 1.020 482 E CA 1.591 57.968 56.400 -0.038 0.000 0.845 482 E CB -0.142 29.485 29.700 -0.121 0.000 0.779 482 E HN 0.519 nan 8.360 nan 0.000 0.466 483 F N -1.669 118.284 119.950 0.005 0.000 2.685 483 F HA 0.576 5.101 4.527 -0.003 0.000 0.315 483 F C -0.589 175.215 175.800 0.007 0.000 1.126 483 F CA -1.164 56.829 58.000 -0.011 0.000 0.950 483 F CB 1.733 40.697 39.000 -0.059 0.000 1.360 483 F HN -0.191 nan 8.300 nan 0.000 0.469 484 T N 0.810 115.527 114.554 0.272 0.000 2.879 484 T HA 0.607 4.955 4.350 -0.003 0.000 0.290 484 T C -1.178 173.605 174.700 0.139 0.000 0.993 484 T CA -0.789 61.400 62.100 0.148 0.000 0.975 484 T CB 1.038 69.961 68.868 0.092 0.000 0.981 484 T HN 0.861 nan 8.240 nan 0.000 0.439 485 L N 3.635 124.857 121.223 -0.003 0.000 2.295 485 L HA 0.415 4.753 4.340 -0.003 0.000 0.288 485 L C 0.399 177.286 176.870 0.028 0.000 1.079 485 L CA -1.033 53.599 54.840 -0.348 0.000 0.830 485 L CB -0.323 41.214 42.059 -0.870 0.000 1.200 485 L HN 0.677 nan 8.230 nan 0.000 0.438 486 E N 1.902 122.238 120.200 0.226 0.000 2.485 486 E HA -0.057 4.291 4.350 -0.003 0.000 0.266 486 E C -0.427 176.380 176.600 0.345 0.000 1.090 486 E CA 0.018 56.594 56.400 0.295 0.000 0.987 486 E CB 0.241 30.126 29.700 0.309 0.000 0.974 486 E HN 0.376 nan 8.360 nan 0.000 0.455 487 F N 1.284 121.332 119.950 0.164 0.000 2.418 487 F HA 0.314 4.839 4.527 -0.003 0.000 0.341 487 F C 0.052 175.940 175.800 0.147 0.000 1.120 487 F CA -0.024 58.062 58.000 0.144 0.000 1.232 487 F CB 0.690 39.750 39.000 0.101 0.000 1.175 487 F HN 0.393 nan 8.300 nan 0.000 0.569 488 S N 5.278 120.622 115.700 -0.592 0.000 2.546 488 S HA 0.420 4.888 4.470 -0.003 0.000 0.272 488 S C 0.231 174.435 174.600 -0.660 0.000 1.140 488 S CA -1.046 56.932 58.200 -0.371 0.000 0.920 488 S CB 1.914 65.041 63.200 -0.121 0.000 1.083 488 S HN 0.847 nan 8.310 nan 0.000 0.476 489 R N 1.329 121.642 120.500 -0.312 0.000 2.200 489 R HA -0.129 4.209 4.340 -0.003 0.000 0.234 489 R C 1.411 177.619 176.300 -0.154 0.000 1.127 489 R CA 1.757 57.756 56.100 -0.169 0.000 0.989 489 R CB -0.499 29.808 30.300 0.011 0.000 0.869 489 R HN 0.864 nan 8.270 nan 0.000 0.459 490 D N 0.942 121.250 120.400 -0.154 0.000 2.106 490 D HA -0.207 4.432 4.640 -0.003 0.000 0.191 490 D C 1.716 177.952 176.300 -0.107 0.000 0.997 490 D CA 1.720 55.656 54.000 -0.107 0.000 0.834 490 D CB 0.189 40.926 40.800 -0.105 0.000 0.956 490 D HN 0.340 nan 8.370 nan 0.000 0.448 491 R N -0.986 119.419 120.500 -0.157 0.000 2.476 491 R HA 0.255 4.593 4.340 -0.003 0.000 0.276 491 R C -0.036 176.182 176.300 -0.136 0.000 0.941 491 R CA -0.333 55.703 56.100 -0.107 0.000 1.088 491 R CB 0.104 30.367 30.300 -0.062 0.000 1.216 491 R HN -0.144 nan 8.270 nan 0.000 0.533 492 K N 2.185 122.395 120.400 -0.316 0.000 3.490 492 K HA -0.215 4.103 4.320 -0.003 0.000 0.273 492 K C -0.874 175.739 176.600 0.021 0.000 0.916 492 K CA 1.125 57.229 56.287 -0.306 0.000 0.718 492 K CB -1.438 31.088 32.500 0.044 0.000 1.477 492 K HN 0.718 nan 8.250 nan 0.000 0.452 493 S N -1.121 114.515 115.700 -0.107 0.000 2.636 493 S HA 0.770 5.238 4.470 -0.003 0.000 0.266 493 S C -0.780 173.978 174.600 0.264 0.000 1.147 493 S CA -0.883 57.455 58.200 0.230 0.000 0.815 493 S CB 2.395 65.674 63.200 0.131 0.000 1.119 493 S HN 0.486 nan 8.310 nan 0.000 0.470 494 M N 0.074 119.841 119.600 0.278 0.000 2.773 494 M HA 0.840 5.318 4.480 -0.003 0.000 0.270 494 M C -1.680 174.715 176.300 0.160 0.000 1.238 494 M CA -0.458 54.984 55.300 0.238 0.000 0.832 494 M CB 1.663 34.449 32.600 0.309 0.000 1.672 494 M HN 1.438 nan 8.290 nan 0.000 0.480 495 S N 0.247 116.017 115.700 0.115 0.000 2.615 495 S HA 0.870 5.338 4.470 -0.003 0.000 0.269 495 S C -1.170 173.452 174.600 0.038 0.000 1.161 495 S CA -0.262 57.986 58.200 0.079 0.000 0.817 495 S CB 1.565 64.801 63.200 0.060 0.000 1.131 495 S HN 1.733 nan 8.310 nan 0.000 0.467 496 V N -0.926 118.982 119.914 -0.009 0.000 2.686 496 V HA 0.711 4.829 4.120 -0.003 0.000 0.306 496 V C -1.399 174.534 176.094 -0.268 0.000 1.065 496 V CA -0.861 61.386 62.300 -0.089 0.000 0.894 496 V CB 1.135 32.957 31.823 -0.001 0.000 1.004 496 V HN 1.006 nan 8.190 nan 0.000 0.424 497 Y N 3.568 123.479 120.300 -0.647 0.000 2.327 497 Y HA 0.731 5.280 4.550 -0.003 0.000 0.336 497 Y C 0.061 175.603 175.900 -0.595 0.000 1.035 497 Y CA -0.560 57.068 58.100 -0.786 0.000 1.165 497 Y CB 0.954 38.511 38.460 -1.506 0.000 1.181 497 Y HN 1.006 nan 8.280 nan 0.000 0.494 498 C N 3.239 122.264 119.300 -0.458 0.000 2.971 498 C HA 0.848 5.306 4.460 -0.003 0.000 0.310 498 C C -0.645 174.227 174.990 -0.195 0.000 1.285 498 C CA -0.901 57.971 59.018 -0.244 0.000 1.593 498 C CB 1.349 28.938 27.740 -0.252 0.000 2.076 498 C HN 0.884 nan 8.230 nan 0.000 0.472 499 S N 0.826 116.491 115.700 -0.060 0.000 2.546 499 S HA 0.731 5.199 4.470 -0.003 0.000 0.274 499 S C -3.275 171.318 174.600 -0.011 0.000 1.121 499 S CA -1.050 57.134 58.200 -0.027 0.000 0.887 499 S CB 1.724 64.945 63.200 0.036 0.000 1.094 499 S HN 0.627 nan 8.310 nan 0.000 0.474 500 P HA 0.171 nan 4.420 nan 0.000 0.266 500 P C 0.778 178.080 177.300 0.004 0.000 1.195 500 P CA -0.072 63.031 63.100 0.004 0.000 0.768 500 P CB 0.671 32.371 31.700 0.001 0.000 0.838 501 A N 3.703 126.524 122.820 0.002 0.000 1.855 501 A HA -0.130 4.188 4.320 -0.003 0.000 0.215 501 A C 1.337 178.917 177.584 -0.006 0.000 1.191 501 A CA 1.485 53.521 52.037 -0.002 0.000 0.613 501 A CB -0.735 18.260 19.000 -0.009 0.000 0.829 501 A HN 0.488 nan 8.150 nan 0.000 0.442 502 K N 1.414 121.808 120.400 -0.010 0.000 2.171 502 K HA 0.420 4.739 4.320 -0.003 0.000 0.274 502 K C -1.356 175.240 176.600 -0.007 0.000 1.110 502 K CA 0.307 56.587 56.287 -0.011 0.000 0.952 502 K CB -0.485 32.005 32.500 -0.017 0.000 1.309 502 K HN 0.131 nan 8.250 nan 0.000 0.414 503 S N 1.929 117.627 115.700 -0.004 0.000 2.561 503 S HA 0.162 4.630 4.470 -0.003 0.000 0.292 503 S C -0.318 174.282 174.600 0.000 0.000 1.107 503 S CA -0.785 57.414 58.200 -0.001 0.000 0.969 503 S CB 1.158 64.358 63.200 0.000 0.000 1.150 503 S HN 0.495 nan 8.310 nan 0.000 0.451 504 S N 2.100 117.799 115.700 -0.000 0.000 2.306 504 S HA 0.222 4.690 4.470 -0.003 0.000 0.173 504 S C 0.728 175.330 174.600 0.002 0.000 1.105 504 S CA 0.142 58.343 58.200 0.001 0.000 1.383 504 S CB -0.067 63.133 63.200 -0.000 0.000 0.808 504 S HN 0.512 nan 8.310 nan 0.000 0.424 505 R N 2.161 122.662 120.500 0.002 0.000 3.956 505 R HA 0.490 4.828 4.340 -0.003 0.000 0.237 505 R C -0.955 175.348 176.300 0.004 0.000 1.552 505 R CA -0.295 55.807 56.100 0.003 0.000 1.529 505 R CB -0.475 29.826 30.300 0.002 0.000 1.376 505 R HN 0.356 nan 8.270 nan 0.000 0.733 506 A N 0.569 123.392 122.820 0.005 0.000 2.273 506 A HA 0.568 4.887 4.320 -0.003 0.000 0.320 506 A C 0.844 178.433 177.584 0.009 0.000 1.358 506 A CA -0.402 51.638 52.037 0.005 0.000 0.910 506 A CB 1.014 20.015 19.000 0.002 0.000 1.159 506 A HN 0.458 nan 8.150 nan 0.000 0.526 507 A N 2.580 125.405 122.820 0.009 0.000 2.278 507 A HA 0.496 4.815 4.320 -0.003 0.000 0.212 507 A C 0.300 177.893 177.584 0.014 0.000 1.213 507 A CA 0.367 52.412 52.037 0.014 0.000 0.840 507 A CB -0.115 18.892 19.000 0.012 0.000 0.866 507 A HN 0.843 nan 8.150 nan 0.000 0.489 508 V N -1.885 118.033 119.914 0.006 0.000 2.808 508 V HA 0.711 4.829 4.120 -0.003 0.000 0.308 508 V C 0.747 176.834 176.094 -0.011 0.000 1.099 508 V CA 0.105 62.404 62.300 -0.002 0.000 0.920 508 V CB 1.359 33.180 31.823 -0.004 0.000 1.014 508 V HN 0.716 nan 8.190 nan 0.000 0.425 509 G N 3.768 112.552 108.800 -0.027 0.000 2.738 509 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.195 509 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.195 509 G C -0.031 174.820 174.900 -0.081 0.000 1.001 509 G CA -0.287 44.789 45.100 -0.040 0.000 0.759 509 G HN 0.701 nan 8.290 nan 0.000 0.494 510 N N 1.525 120.165 118.700 -0.101 0.000 2.441 510 N HA 0.489 5.227 4.740 -0.003 0.000 0.251 510 N C -0.124 175.166 175.510 -0.367 0.000 1.242 510 N CA 0.500 53.415 53.050 -0.225 0.000 0.898 510 N CB 0.560 38.933 38.487 -0.191 0.000 1.100 510 N HN 0.060 nan 8.380 nan 0.000 0.443 511 K N 1.390 121.452 120.400 -0.564 0.000 2.464 511 K HA 0.411 4.729 4.320 -0.003 0.000 0.253 511 K C -0.990 175.015 176.600 -0.991 0.000 0.933 511 K CA -0.433 55.462 56.287 -0.652 0.000 0.801 511 K CB 2.289 34.458 32.500 -0.553 0.000 1.271 511 K HN 0.504 nan 8.250 nan 0.000 0.430 512 M N 2.348 121.487 119.600 -0.768 0.000 2.227 512 M HA 0.408 4.886 4.480 -0.003 0.000 0.335 512 M C -1.137 174.891 176.300 -0.453 0.000 1.053 512 M CA -0.768 54.148 55.300 -0.639 0.000 0.973 512 M CB 0.816 33.209 32.600 -0.345 0.000 1.623 512 M HN 0.315 nan 8.290 nan 0.000 0.434 513 F N 3.686 123.568 119.950 -0.112 0.000 2.293 513 F HA 0.396 4.921 4.527 -0.003 0.000 0.370 513 F C -0.122 175.657 175.800 -0.034 0.000 1.090 513 F CA -1.083 56.874 58.000 -0.071 0.000 1.133 513 F CB 0.326 39.283 39.000 -0.073 0.000 1.360 513 F HN 0.122 nan 8.300 nan 0.000 0.489 514 V N 3.064 123.075 119.914 0.162 0.000 2.607 514 V HA 0.436 4.554 4.120 -0.003 0.000 0.289 514 V C -0.003 176.152 176.094 0.102 0.000 1.053 514 V CA -0.943 61.429 62.300 0.120 0.000 0.996 514 V CB 1.444 33.330 31.823 0.105 0.000 0.995 514 V HN 0.665 nan 8.190 nan 0.000 0.476 515 K N 2.280 122.748 120.400 0.113 0.000 2.513 515 K HA 0.726 5.044 4.320 -0.003 0.000 0.251 515 K C -0.441 176.251 176.600 0.154 0.000 0.939 515 K CA -0.051 56.295 56.287 0.099 0.000 0.793 515 K CB 2.141 34.685 32.500 0.073 0.000 1.241 515 K HN 1.050 nan 8.250 nan 0.000 0.431 516 G N 1.254 110.143 108.800 0.148 0.000 2.342 516 G HA2 0.479 4.437 3.960 -0.003 0.000 0.297 516 G HA3 0.479 4.437 3.960 -0.003 0.000 0.297 516 G C -1.568 173.433 174.900 0.169 0.000 1.313 516 G CA -0.443 44.787 45.100 0.216 0.000 0.830 516 G HN 0.664 nan 8.290 nan 0.000 0.506 517 A N 0.528 123.467 122.820 0.198 0.000 2.520 517 A HA 0.558 4.876 4.320 -0.003 0.000 0.245 517 A C -0.678 176.972 177.584 0.110 0.000 1.072 517 A CA 0.069 52.192 52.037 0.144 0.000 0.761 517 A CB 0.018 19.110 19.000 0.152 0.000 1.004 517 A HN 0.358 nan 8.150 nan 0.000 0.499 518 P HA -0.256 nan 4.420 nan 0.000 0.217 518 P C 1.460 178.792 177.300 0.053 0.000 1.158 518 P CA 1.778 64.921 63.100 0.072 0.000 0.887 518 P CB 0.187 31.919 31.700 0.053 0.000 0.792 519 E N -0.734 119.493 120.200 0.046 0.000 2.033 519 E HA -0.186 4.162 4.350 -0.003 0.000 0.199 519 E C 2.182 178.802 176.600 0.034 0.000 1.011 519 E CA 1.769 58.187 56.400 0.030 0.000 0.815 519 E CB -0.950 28.768 29.700 0.030 0.000 0.755 519 E HN 0.180 nan 8.360 nan 0.000 0.451 520 G N 0.752 109.580 108.800 0.047 0.000 2.511 520 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.216 520 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.216 520 G C 1.707 176.639 174.900 0.053 0.000 1.218 520 G CA 1.445 46.571 45.100 0.043 0.000 0.788 520 G HN 0.242 nan 8.290 nan 0.000 0.560 521 V N 1.711 121.671 119.914 0.077 0.000 2.220 521 V HA -0.283 3.835 4.120 -0.003 0.000 0.250 521 V C 2.828 178.977 176.094 0.092 0.000 1.056 521 V CA 2.123 64.480 62.300 0.096 0.000 1.016 521 V CB -0.682 31.215 31.823 0.124 0.000 0.639 521 V HN 0.433 nan 8.190 nan 0.000 0.446 522 I N 0.205 120.824 120.570 0.082 0.000 2.399 522 I HA -0.267 3.902 4.170 -0.003 0.000 0.254 522 I C 2.035 178.162 176.117 0.016 0.000 1.146 522 I CA 1.595 62.922 61.300 0.045 0.000 1.412 522 I CB -0.577 37.403 38.000 -0.033 0.000 1.076 522 I HN 0.398 nan 8.210 nan 0.000 0.432 523 D N 0.875 121.284 120.400 0.014 0.000 2.317 523 D HA -0.037 4.601 4.640 -0.003 0.000 0.211 523 D C 1.401 177.704 176.300 0.004 0.000 0.966 523 D CA 0.715 54.716 54.000 0.000 0.000 0.876 523 D CB 0.015 40.815 40.800 -0.000 0.000 0.927 523 D HN 0.397 nan 8.370 nan 0.000 0.519 524 R N -0.124 120.390 120.500 0.023 0.000 2.702 524 R HA 0.255 4.593 4.340 -0.003 0.000 0.314 524 R C -0.449 175.868 176.300 0.028 0.000 1.152 524 R CA -0.162 55.952 56.100 0.024 0.000 1.097 524 R CB 0.229 30.554 30.300 0.041 0.000 1.343 524 R HN -0.038 nan 8.270 nan 0.000 0.575 525 C N 0.808 120.118 119.300 0.017 0.000 2.340 525 C HA 0.345 4.803 4.460 -0.003 0.000 0.323 525 C C 0.922 175.870 174.990 -0.070 0.000 1.260 525 C CA -0.907 58.124 59.018 0.023 0.000 1.464 525 C CB 1.117 28.920 27.740 0.105 0.000 2.156 525 C HN 0.546 nan 8.230 nan 0.000 0.476 526 N N 0.648 119.217 118.700 -0.219 0.000 2.322 526 N HA 0.100 4.838 4.740 -0.003 0.000 0.181 526 N C -0.631 174.588 175.510 -0.485 0.000 1.088 526 N CA 0.572 53.366 53.050 -0.428 0.000 0.885 526 N CB 0.455 38.530 38.487 -0.686 0.000 1.013 526 N HN 0.656 nan 8.380 nan 0.000 0.472 527 Y N -0.190 120.150 120.300 0.067 0.000 2.562 527 Y HA 0.590 5.139 4.550 -0.003 0.000 0.343 527 Y C 0.062 176.031 175.900 0.115 0.000 1.025 527 Y CA -1.101 57.044 58.100 0.075 0.000 1.082 527 Y CB 1.568 40.064 38.460 0.061 0.000 1.264 527 Y HN -0.406 nan 8.280 nan 0.000 0.478 528 V N 2.266 122.357 119.914 0.294 0.000 2.588 528 V HA 0.488 4.607 4.120 -0.003 0.000 0.304 528 V C -0.403 175.820 176.094 0.216 0.000 1.042 528 V CA -1.133 61.335 62.300 0.279 0.000 0.877 528 V CB 1.806 33.773 31.823 0.241 0.000 0.996 528 V HN 0.696 nan 8.190 nan 0.000 0.425 529 R N 3.228 123.833 120.500 0.175 0.000 2.441 529 R HA 0.653 4.991 4.340 -0.003 0.000 0.284 529 R C -1.149 175.217 176.300 0.111 0.000 1.070 529 R CA -0.145 56.014 56.100 0.098 0.000 1.047 529 R CB 1.327 31.642 30.300 0.024 0.000 1.016 529 R HN 0.504 nan 8.270 nan 0.000 0.477 530 V N 5.372 125.340 119.914 0.090 0.000 2.465 530 V HA 0.411 4.529 4.120 -0.003 0.000 0.263 530 V C 0.749 176.890 176.094 0.078 0.000 0.981 530 V CA 0.211 62.571 62.300 0.100 0.000 0.838 530 V CB 0.253 32.137 31.823 0.101 0.000 1.068 530 V HN 1.163 nan 8.190 nan 0.000 0.458 531 G N 4.239 113.084 108.800 0.074 0.000 2.866 531 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.274 531 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.274 531 G C 0.898 175.817 174.900 0.033 0.000 1.413 531 G CA 1.096 46.232 45.100 0.061 0.000 0.997 531 G HN 1.329 nan 8.290 nan 0.000 0.559 532 T N -1.494 113.076 114.554 0.027 0.000 3.004 532 T HA 0.486 4.835 4.350 -0.003 0.000 0.266 532 T C 1.228 175.935 174.700 0.011 0.000 0.986 532 T CA 1.622 63.730 62.100 0.015 0.000 0.902 532 T CB 0.133 69.008 68.868 0.012 0.000 1.118 532 T HN 1.812 nan 8.240 nan 0.000 0.522 533 T N 0.434 115.000 114.554 0.020 0.000 2.810 533 T HA 0.598 4.946 4.350 -0.003 0.000 0.277 533 T C -0.199 174.514 174.700 0.021 0.000 0.973 533 T CA -0.834 61.276 62.100 0.016 0.000 0.949 533 T CB 1.625 70.509 68.868 0.027 0.000 1.075 533 T HN 0.525 nan 8.240 nan 0.000 0.537 534 R N -0.073 120.435 120.500 0.014 0.000 2.643 534 R HA 0.616 4.954 4.340 -0.003 0.000 0.269 534 R C -1.846 174.484 176.300 0.050 0.000 1.037 534 R CA -0.776 55.341 56.100 0.029 0.000 0.894 534 R CB 2.125 32.402 30.300 -0.038 0.000 1.238 534 R HN 0.883 nan 8.270 nan 0.000 0.459 535 V N 0.387 120.367 119.914 0.111 0.000 3.114 535 V HA 0.709 4.827 4.120 -0.003 0.000 0.308 535 V C -2.783 173.432 176.094 0.202 0.000 1.168 535 V CA -2.151 60.226 62.300 0.129 0.000 1.015 535 V CB 2.306 34.188 31.823 0.099 0.000 1.050 535 V HN 0.749 nan 8.190 nan 0.000 0.433 536 P HA 0.105 nan 4.420 nan 0.000 0.265 536 P C -0.332 177.028 177.300 0.102 0.000 1.193 536 P CA -0.015 63.193 63.100 0.179 0.000 0.765 536 P CB 0.484 32.258 31.700 0.123 0.000 0.823 537 M N 4.576 124.215 119.600 0.065 0.000 2.435 537 M HA 0.089 4.568 4.480 -0.003 0.000 0.338 537 M C -0.011 176.291 176.300 0.004 0.000 1.628 537 M CA 0.524 55.845 55.300 0.034 0.000 1.215 537 M CB -0.778 31.825 32.600 0.005 0.000 1.905 537 M HN 0.380 nan 8.290 nan 0.000 0.457 538 T N 1.985 116.542 114.554 0.006 0.000 2.928 538 T HA 0.613 4.962 4.350 -0.003 0.000 0.284 538 T C 1.285 175.969 174.700 -0.026 0.000 1.008 538 T CA -0.509 61.585 62.100 -0.009 0.000 1.057 538 T CB 1.380 70.245 68.868 -0.005 0.000 1.018 538 T HN 0.746 nan 8.240 nan 0.000 0.493 539 G N 1.940 110.721 108.800 -0.031 0.000 2.574 539 G HA2 -0.170 3.789 3.960 -0.003 0.000 0.220 539 G HA3 -0.170 3.789 3.960 -0.003 0.000 0.220 539 G C -0.990 173.882 174.900 -0.047 0.000 1.173 539 G CA 0.972 46.049 45.100 -0.039 0.000 0.772 539 G HN 0.642 nan 8.290 nan 0.000 0.585 540 P HA -0.084 nan 4.420 nan 0.000 0.210 540 P C 2.237 179.503 177.300 -0.056 0.000 1.185 540 P CA 1.601 64.670 63.100 -0.052 0.000 0.924 540 P CB -0.373 31.295 31.700 -0.054 0.000 0.786 541 V N 0.152 120.040 119.914 -0.044 0.000 2.527 541 V HA -0.307 3.811 4.120 -0.003 0.000 0.255 541 V C 2.411 178.451 176.094 -0.091 0.000 1.081 541 V CA 1.972 64.243 62.300 -0.048 0.000 1.092 541 V CB -1.125 30.691 31.823 -0.012 0.000 0.673 541 V HN 0.214 nan 8.190 nan 0.000 0.470 542 K N -0.248 120.099 120.400 -0.089 0.000 2.057 542 K HA -0.168 4.151 4.320 -0.003 0.000 0.206 542 K C 2.170 178.701 176.600 -0.115 0.000 1.050 542 K CA 1.285 57.502 56.287 -0.116 0.000 0.935 542 K CB -0.031 32.417 32.500 -0.087 0.000 0.715 542 K HN 0.386 nan 8.250 nan 0.000 0.439 543 E N 0.852 120.998 120.200 -0.090 0.000 2.208 543 E HA -0.143 4.205 4.350 -0.003 0.000 0.193 543 E C 1.812 178.349 176.600 -0.106 0.000 0.988 543 E CA 0.660 57.009 56.400 -0.085 0.000 0.828 543 E CB 0.036 29.696 29.700 -0.067 0.000 0.763 543 E HN 0.159 nan 8.360 nan 0.000 0.478 544 K N 1.076 121.407 120.400 -0.115 0.000 2.001 544 K HA -0.029 4.289 4.320 -0.003 0.000 0.208 544 K C 2.213 178.684 176.600 -0.215 0.000 1.048 544 K CA 0.703 56.902 56.287 -0.146 0.000 0.932 544 K CB -0.439 31.988 32.500 -0.123 0.000 0.715 544 K HN 0.152 nan 8.250 nan 0.000 0.437 545 I N 1.029 121.476 120.570 -0.205 0.000 2.179 545 I HA -0.302 3.866 4.170 -0.003 0.000 0.242 545 I C 2.377 178.408 176.117 -0.145 0.000 1.088 545 I CA 0.954 62.140 61.300 -0.191 0.000 1.357 545 I CB -0.240 37.591 38.000 -0.282 0.000 1.051 545 I HN 0.087 nan 8.210 nan 0.000 0.409 546 L N 0.473 121.613 121.223 -0.139 0.000 2.046 546 L HA -0.229 4.109 4.340 -0.003 0.000 0.208 546 L C 2.867 179.674 176.870 -0.104 0.000 1.077 546 L CA 1.817 56.596 54.840 -0.101 0.000 0.747 546 L CB -0.604 41.406 42.059 -0.083 0.000 0.896 546 L HN 0.398 nan 8.230 nan 0.000 0.432 547 S N -0.762 114.862 115.700 -0.126 0.000 2.368 547 S HA -0.131 4.337 4.470 -0.003 0.000 0.224 547 S C 1.852 176.357 174.600 -0.159 0.000 1.029 547 S CA 1.199 59.330 58.200 -0.116 0.000 0.988 547 S CB -0.732 62.403 63.200 -0.109 0.000 0.838 547 S HN 0.183 nan 8.310 nan 0.000 0.462 548 V N 1.838 121.582 119.914 -0.284 0.000 2.626 548 V HA -0.037 4.082 4.120 -0.003 0.000 0.252 548 V C 2.326 178.098 176.094 -0.536 0.000 1.067 548 V CA 1.466 63.487 62.300 -0.464 0.000 1.081 548 V CB -0.850 30.459 31.823 -0.857 0.000 0.686 548 V HN 0.511 nan 8.190 nan 0.000 0.468 549 I N -0.237 120.160 120.570 -0.288 0.000 2.333 549 I HA -0.156 4.013 4.170 -0.003 0.000 0.246 549 I C 2.527 178.636 176.117 -0.014 0.000 1.106 549 I CA 1.291 62.506 61.300 -0.142 0.000 1.411 549 I CB -0.352 37.623 38.000 -0.041 0.000 1.082 549 I HN 0.203 nan 8.210 nan 0.000 0.420 550 K N 1.210 121.596 120.400 -0.024 0.000 2.097 550 K HA -0.260 4.059 4.320 -0.003 0.000 0.206 550 K C 2.086 178.724 176.600 0.062 0.000 1.049 550 K CA 1.669 57.967 56.287 0.018 0.000 0.933 550 K CB -0.029 32.468 32.500 -0.006 0.000 0.717 550 K HN 0.306 nan 8.250 nan 0.000 0.442 551 E N -0.283 119.957 120.200 0.065 0.000 2.017 551 E HA -0.200 4.149 4.350 -0.003 0.000 0.193 551 E C 1.576 178.356 176.600 0.300 0.000 0.997 551 E CA 1.331 57.823 56.400 0.154 0.000 0.804 551 E CB -0.197 29.599 29.700 0.160 0.000 0.757 551 E HN 0.391 nan 8.360 nan 0.000 0.448 552 W N 0.135 121.462 121.300 0.046 0.000 2.424 552 W HA 0.016 4.674 4.660 -0.003 0.000 0.264 552 W C 2.098 178.645 176.519 0.047 0.000 1.229 552 W CA 1.160 58.539 57.345 0.056 0.000 1.208 552 W CB -0.813 28.703 29.460 0.094 0.000 1.127 552 W HN 0.276 nan 8.180 nan 0.000 0.588 553 G N -2.371 106.586 108.800 0.263 0.000 2.743 553 G HA2 -0.017 3.941 3.960 -0.003 0.000 0.206 553 G HA3 -0.017 3.941 3.960 -0.003 0.000 0.206 553 G C 1.310 176.276 174.900 0.110 0.000 1.115 553 G CA 0.804 46.002 45.100 0.164 0.000 0.782 553 G HN 0.169 nan 8.290 nan 0.000 0.524 554 T N 0.403 115.018 114.554 0.101 0.000 3.014 554 T HA 0.307 4.655 4.350 -0.003 0.000 0.250 554 T C 1.466 176.203 174.700 0.061 0.000 1.060 554 T CA 0.371 62.512 62.100 0.068 0.000 1.040 554 T CB 0.668 69.565 68.868 0.049 0.000 0.971 554 T HN 0.304 nan 8.240 nan 0.000 0.497 555 G N 0.751 109.599 108.800 0.079 0.000 2.508 555 G HA2 0.262 4.220 3.960 -0.003 0.000 0.278 555 G HA3 0.262 4.220 3.960 -0.003 0.000 0.278 555 G C 0.630 175.555 174.900 0.042 0.000 1.389 555 G CA -0.694 44.442 45.100 0.060 0.000 1.050 555 G HN 0.205 nan 8.290 nan 0.000 0.522 556 R N -0.447 120.068 120.500 0.024 0.000 2.293 556 R HA -0.046 4.292 4.340 -0.003 0.000 0.219 556 R C 1.354 177.653 176.300 -0.002 0.000 1.091 556 R CA 1.125 57.230 56.100 0.009 0.000 1.004 556 R CB 0.043 30.342 30.300 -0.001 0.000 0.865 556 R HN 0.431 nan 8.270 nan 0.000 0.469 557 D N 0.274 120.673 120.400 -0.001 0.000 2.194 557 D HA -0.087 4.551 4.640 -0.003 0.000 0.204 557 D C 0.626 176.926 176.300 -0.000 0.000 0.964 557 D CA 1.516 55.500 54.000 -0.026 0.000 0.846 557 D CB -0.263 40.496 40.800 -0.069 0.000 0.962 557 D HN 0.269 nan 8.370 nan 0.000 0.490 558 T N -0.705 113.869 114.554 0.033 0.000 3.549 558 T HA -0.250 4.098 4.350 -0.003 0.000 0.398 558 T C 0.123 174.852 174.700 0.047 0.000 0.766 558 T CA 0.182 62.308 62.100 0.043 0.000 2.007 558 T CB -2.505 66.377 68.868 0.022 0.000 1.727 558 T HN 0.170 nan 8.240 nan 0.000 0.693 559 L N 0.315 121.588 121.223 0.083 0.000 2.325 559 L HA 0.575 4.914 4.340 -0.003 0.000 0.279 559 L C 0.963 177.907 176.870 0.123 0.000 1.054 559 L CA -1.235 53.662 54.840 0.095 0.000 0.804 559 L CB 1.402 43.536 42.059 0.124 0.000 1.200 559 L HN 0.379 nan 8.230 nan 0.000 0.436 560 R N 1.784 122.342 120.500 0.097 0.000 2.234 560 R HA 0.377 4.715 4.340 -0.003 0.000 0.324 560 R C -1.310 175.064 176.300 0.122 0.000 1.054 560 R CA -0.360 55.796 56.100 0.094 0.000 0.912 560 R CB 0.540 30.877 30.300 0.062 0.000 1.030 560 R HN 0.641 nan 8.270 nan 0.000 0.455 561 C N 5.702 125.081 119.300 0.133 0.000 2.329 561 C HA 0.496 4.955 4.460 -0.003 0.000 0.329 561 C C -0.856 174.191 174.990 0.096 0.000 1.275 561 C CA -0.896 58.206 59.018 0.141 0.000 1.726 561 C CB 0.584 28.420 27.740 0.161 0.000 2.291 561 C HN 0.629 nan 8.230 nan 0.000 0.514 562 L N 3.263 124.533 121.223 0.078 0.000 2.305 562 L HA 0.638 4.976 4.340 -0.003 0.000 0.284 562 L C 0.549 177.442 176.870 0.038 0.000 1.013 562 L CA 0.013 54.887 54.840 0.057 0.000 0.819 562 L CB 1.112 43.193 42.059 0.036 0.000 1.227 562 L HN 0.841 nan 8.230 nan 0.000 0.417 563 A N 5.107 127.969 122.820 0.069 0.000 2.327 563 A HA 0.785 5.103 4.320 -0.003 0.000 0.283 563 A C -0.631 176.981 177.584 0.047 0.000 1.127 563 A CA -0.351 51.749 52.037 0.104 0.000 0.810 563 A CB 0.294 19.404 19.000 0.183 0.000 1.066 563 A HN 0.656 nan 8.150 nan 0.000 0.492 564 L N 1.809 122.997 121.223 -0.059 0.000 2.356 564 L HA 0.728 5.066 4.340 -0.003 0.000 0.277 564 L C 0.273 177.051 176.870 -0.152 0.000 0.996 564 L CA -0.359 54.419 54.840 -0.103 0.000 0.822 564 L CB 1.734 43.691 42.059 -0.170 0.000 1.256 564 L HN 0.841 nan 8.230 nan 0.000 0.413 565 A N 1.755 124.557 122.820 -0.030 0.000 2.485 565 A HA 0.966 5.284 4.320 -0.003 0.000 0.292 565 A C -0.575 177.051 177.584 0.069 0.000 1.147 565 A CA -0.524 51.514 52.037 0.001 0.000 0.750 565 A CB 2.197 21.250 19.000 0.089 0.000 1.331 565 A HN 0.625 nan 8.150 nan 0.000 0.419 566 T N -1.298 113.311 114.554 0.092 0.000 2.952 566 T HA 0.604 4.952 4.350 -0.003 0.000 0.305 566 T C -0.708 174.040 174.700 0.079 0.000 1.064 566 T CA -0.646 61.541 62.100 0.145 0.000 1.008 566 T CB 1.405 70.426 68.868 0.255 0.000 1.078 566 T HN 0.715 nan 8.240 nan 0.000 0.459 567 R N 2.195 122.701 120.500 0.010 0.000 2.220 567 R HA 0.190 4.529 4.340 -0.003 0.000 0.340 567 R C 0.005 176.271 176.300 -0.056 0.000 1.076 567 R CA -0.424 55.675 56.100 -0.001 0.000 0.920 567 R CB 0.320 30.600 30.300 -0.033 0.000 1.062 567 R HN 0.690 nan 8.270 nan 0.000 0.469 568 D N 1.715 122.113 120.400 -0.003 0.000 2.097 568 D HA -0.075 4.563 4.640 -0.003 0.000 0.197 568 D C 0.072 176.333 176.300 -0.066 0.000 0.984 568 D CA 1.592 55.568 54.000 -0.040 0.000 0.826 568 D CB 0.346 41.124 40.800 -0.037 0.000 0.973 568 D HN 0.417 nan 8.370 nan 0.000 0.460 569 T N 3.913 118.449 114.554 -0.029 0.000 3.355 569 T HA 0.245 4.594 4.350 -0.003 0.000 0.376 569 T C -2.311 172.375 174.700 -0.024 0.000 1.683 569 T CA -1.279 60.805 62.100 -0.027 0.000 1.269 569 T CB 1.632 70.504 68.868 0.006 0.000 1.158 569 T HN 0.059 nan 8.240 nan 0.000 0.703 570 P HA 0.236 nan 4.420 nan 0.000 0.270 570 P C -2.485 174.828 177.300 0.022 0.000 1.223 570 P CA -1.289 61.761 63.100 -0.083 0.000 0.785 570 P CB -0.041 31.467 31.700 -0.321 0.000 0.923 571 P HA 0.095 nan 4.420 nan 0.000 0.270 571 P C -0.248 177.131 177.300 0.132 0.000 1.223 571 P CA -0.030 63.123 63.100 0.088 0.000 0.785 571 P CB 0.629 32.367 31.700 0.064 0.000 0.923 572 K N 1.350 121.798 120.400 0.080 0.000 2.382 572 K HA 0.020 4.339 4.320 -0.003 0.000 0.275 572 K C 1.482 178.096 176.600 0.023 0.000 1.009 572 K CA -0.200 56.131 56.287 0.074 0.000 0.970 572 K CB 0.407 32.929 32.500 0.036 0.000 0.934 572 K HN 0.303 nan 8.250 nan 0.000 0.479 573 R N 3.034 123.527 120.500 -0.012 0.000 2.134 573 R HA -0.253 4.086 4.340 -0.003 0.000 0.248 573 R C 1.126 177.339 176.300 -0.145 0.000 1.143 573 R CA 2.270 58.263 56.100 -0.179 0.000 0.957 573 R CB -0.276 29.912 30.300 -0.187 0.000 0.867 573 R HN 0.722 nan 8.270 nan 0.000 0.441 574 E N 0.205 120.357 120.200 -0.081 0.000 2.118 574 E HA -0.170 4.178 4.350 -0.003 0.000 0.195 574 E C 1.570 178.134 176.600 -0.061 0.000 0.992 574 E CA 1.499 57.859 56.400 -0.067 0.000 0.804 574 E CB -0.120 29.559 29.700 -0.034 0.000 0.741 574 E HN 0.386 nan 8.360 nan 0.000 0.458 575 E N -0.114 120.056 120.200 -0.050 0.000 2.511 575 E HA 0.047 4.395 4.350 -0.003 0.000 0.196 575 E C 0.146 176.715 176.600 -0.052 0.000 1.066 575 E CA 0.405 56.791 56.400 -0.024 0.000 0.871 575 E CB -0.079 29.627 29.700 0.009 0.000 0.863 575 E HN 0.387 nan 8.360 nan 0.000 0.520 576 M N 0.569 120.067 119.600 -0.171 0.000 2.300 576 M HA 0.241 4.719 4.480 -0.003 0.000 0.348 576 M C -0.419 175.803 176.300 -0.130 0.000 1.151 576 M CA -0.649 54.458 55.300 -0.323 0.000 1.046 576 M CB 2.481 34.668 32.600 -0.688 0.000 1.647 576 M HN -0.359 nan 8.290 nan 0.000 0.451 577 V N 5.510 125.501 119.914 0.127 0.000 2.288 577 V HA 0.184 4.302 4.120 -0.003 0.000 0.266 577 V C 0.495 176.690 176.094 0.169 0.000 1.048 577 V CA -0.429 61.932 62.300 0.102 0.000 0.842 577 V CB 0.204 32.099 31.823 0.121 0.000 1.064 577 V HN 0.755 nan 8.190 nan 0.000 0.472 578 L N 2.654 123.872 121.223 -0.008 0.000 2.930 578 L HA 0.313 4.651 4.340 -0.003 0.000 0.250 578 L C 0.439 177.414 176.870 0.174 0.000 1.320 578 L CA 0.314 55.179 54.840 0.041 0.000 1.163 578 L CB -0.675 41.190 42.059 -0.325 0.000 1.542 578 L HN 0.569 nan 8.230 nan 0.000 0.428 579 D N -0.787 119.682 120.400 0.115 0.000 2.453 579 D HA 0.052 4.690 4.640 -0.003 0.000 0.256 579 D C -0.138 175.945 176.300 -0.362 0.000 1.152 579 D CA 0.147 54.135 54.000 -0.019 0.000 0.818 579 D CB 1.104 41.917 40.800 0.022 0.000 1.259 579 D HN 0.403 nan 8.370 nan 0.000 0.531 580 D N 1.712 121.902 120.400 -0.350 0.000 2.458 580 D HA 0.050 4.688 4.640 -0.003 0.000 0.258 580 D C 1.278 177.013 176.300 -0.942 0.000 1.134 580 D CA -0.062 53.628 54.000 -0.517 0.000 0.915 580 D CB 1.504 42.138 40.800 -0.277 0.000 1.028 580 D HN -0.140 nan 8.370 nan 0.000 0.508 581 S N 0.697 115.573 115.700 -1.372 0.000 2.462 581 S HA -0.247 4.221 4.470 -0.003 0.000 0.243 581 S C 1.768 175.784 174.600 -0.974 0.000 1.003 581 S CA 1.087 58.122 58.200 -1.940 0.000 0.970 581 S CB -0.378 62.266 63.200 -0.927 0.000 0.762 581 S HN 0.388 nan 8.310 nan 0.000 0.510 582 S N 1.160 116.497 115.700 -0.605 0.000 2.603 582 S HA 0.117 4.586 4.470 -0.003 0.000 0.229 582 S C 1.559 175.963 174.600 -0.327 0.000 0.972 582 S CA -0.015 57.974 58.200 -0.352 0.000 0.935 582 S CB -0.316 62.736 63.200 -0.246 0.000 0.769 582 S HN 0.650 nan 8.310 nan 0.000 0.536 583 R N -1.093 119.144 120.500 -0.439 0.000 2.373 583 R HA 0.309 4.647 4.340 -0.003 0.000 0.221 583 R C 0.910 176.886 176.300 -0.540 0.000 0.893 583 R CA -0.085 55.732 56.100 -0.471 0.000 1.049 583 R CB -0.123 29.878 30.300 -0.498 0.000 1.119 583 R HN 0.337 nan 8.270 nan 0.000 0.535 584 F N 1.717 121.435 119.950 -0.387 0.000 2.091 584 F HA -0.206 4.319 4.527 -0.003 0.000 0.299 584 F C 2.399 178.140 175.800 -0.099 0.000 1.103 584 F CA 1.039 58.944 58.000 -0.158 0.000 1.228 584 F CB -0.854 38.149 39.000 0.005 0.000 0.984 584 F HN -0.006 nan 8.300 nan 0.000 0.477 585 M N 0.189 119.835 119.600 0.077 0.000 2.065 585 M HA -0.267 4.211 4.480 -0.003 0.000 0.259 585 M C 2.334 178.652 176.300 0.031 0.000 1.069 585 M CA 2.077 57.405 55.300 0.047 0.000 1.110 585 M CB -0.443 32.156 32.600 -0.003 0.000 1.328 585 M HN 0.244 nan 8.290 nan 0.000 0.405 586 E N -0.473 119.692 120.200 -0.059 0.000 2.108 586 E HA -0.277 4.071 4.350 -0.003 0.000 0.203 586 E C 1.703 178.369 176.600 0.110 0.000 1.022 586 E CA 2.161 58.536 56.400 -0.042 0.000 0.823 586 E CB -0.299 29.299 29.700 -0.169 0.000 0.744 586 E HN 0.645 nan 8.360 nan 0.000 0.456 587 Y N 0.666 121.039 120.300 0.122 0.000 2.224 587 Y HA -0.027 4.521 4.550 -0.003 0.000 0.289 587 Y C 0.902 176.858 175.900 0.094 0.000 1.146 587 Y CA 0.872 59.047 58.100 0.124 0.000 1.182 587 Y CB -0.256 38.302 38.460 0.163 0.000 0.983 587 Y HN 0.072 nan 8.280 nan 0.000 0.524 588 E N 0.906 121.250 120.200 0.241 0.000 2.028 588 E HA 0.242 4.590 4.350 -0.003 0.000 0.275 588 E C -0.322 176.344 176.600 0.110 0.000 1.171 588 E CA -0.039 56.452 56.400 0.152 0.000 1.186 588 E CB -0.021 29.760 29.700 0.135 0.000 1.256 588 E HN 0.148 nan 8.360 nan 0.000 0.474 589 T N -0.645 113.973 114.554 0.105 0.000 2.696 589 T HA 0.126 4.474 4.350 -0.003 0.000 0.291 589 T C -0.166 174.576 174.700 0.070 0.000 1.095 589 T CA -0.977 61.168 62.100 0.074 0.000 1.026 589 T CB 0.990 69.897 68.868 0.065 0.000 1.390 589 T HN 0.341 nan 8.240 nan 0.000 0.513 590 D N 0.288 120.710 120.400 0.036 0.000 2.702 590 D HA -0.154 4.484 4.640 -0.003 0.000 0.233 590 D C -0.499 175.857 176.300 0.093 0.000 1.164 590 D CA 0.476 54.489 54.000 0.021 0.000 0.638 590 D CB -1.540 39.304 40.800 0.073 0.000 1.041 590 D HN 0.436 nan 8.370 nan 0.000 0.422 591 L N -0.658 120.613 121.223 0.079 0.000 2.456 591 L HA 0.490 4.828 4.340 -0.003 0.000 0.257 591 L C 1.105 178.084 176.870 0.181 0.000 1.162 591 L CA -0.450 54.466 54.840 0.127 0.000 0.808 591 L CB 1.178 43.302 42.059 0.107 0.000 1.136 591 L HN -0.055 nan 8.230 nan 0.000 0.466 592 T N 0.907 115.582 114.554 0.203 0.000 2.779 592 T HA 0.315 4.663 4.350 -0.003 0.000 0.280 592 T C -0.630 174.174 174.700 0.174 0.000 0.987 592 T CA -0.298 61.942 62.100 0.234 0.000 0.966 592 T CB 0.814 69.800 68.868 0.198 0.000 0.933 592 T HN 0.256 nan 8.240 nan 0.000 0.442 593 F N 4.586 124.586 119.950 0.083 0.000 2.471 593 F HA 0.329 4.854 4.527 -0.003 0.000 0.365 593 F C 0.780 176.600 175.800 0.034 0.000 1.095 593 F CA -0.181 57.847 58.000 0.047 0.000 1.174 593 F CB 0.368 39.395 39.000 0.045 0.000 1.105 593 F HN 0.342 nan 8.300 nan 0.000 0.535 594 V N 5.291 124.714 119.914 -0.818 0.000 2.581 594 V HA 0.390 4.508 4.120 -0.003 0.000 0.240 594 V C 1.201 176.733 176.094 -0.937 0.000 1.054 594 V CA 1.151 63.062 62.300 -0.649 0.000 1.076 594 V CB -0.199 31.408 31.823 -0.361 0.000 0.748 594 V HN 0.986 nan 8.190 nan 0.000 0.474 595 G N -1.229 106.825 108.800 -1.243 0.000 2.489 595 G HA2 0.534 4.492 3.960 -0.003 0.000 0.305 595 G HA3 0.534 4.492 3.960 -0.003 0.000 0.305 595 G C -2.157 172.382 174.900 -0.602 0.000 1.311 595 G CA -0.140 44.440 45.100 -0.866 0.000 0.813 595 G HN -0.016 nan 8.290 nan 0.000 0.480 596 V N 0.102 119.662 119.914 -0.590 0.000 2.777 596 V HA 0.643 4.762 4.120 -0.003 0.000 0.306 596 V C -0.221 175.741 176.094 -0.220 0.000 1.112 596 V CA -0.641 61.383 62.300 -0.460 0.000 0.917 596 V CB 1.601 32.903 31.823 -0.868 0.000 1.018 596 V HN 1.243 nan 8.190 nan 0.000 0.426 597 V N 1.006 120.903 119.914 -0.028 0.000 2.715 597 V HA 1.053 5.172 4.120 -0.003 0.000 0.310 597 V C 0.308 176.531 176.094 0.214 0.000 1.054 597 V CA -0.541 61.818 62.300 0.098 0.000 0.928 597 V CB 1.760 33.592 31.823 0.014 0.000 1.007 597 V HN 1.040 nan 8.190 nan 0.000 0.437 598 G N 4.720 113.686 108.800 0.277 0.000 2.644 598 G HA2 0.660 4.618 3.960 -0.003 0.000 0.300 598 G HA3 0.660 4.618 3.960 -0.003 0.000 0.300 598 G C -0.701 174.256 174.900 0.095 0.000 1.395 598 G CA -0.847 44.414 45.100 0.268 0.000 0.964 598 G HN 1.027 nan 8.290 nan 0.000 0.511 599 M N 1.471 121.116 119.600 0.075 0.000 2.706 599 M HA 0.888 5.367 4.480 -0.003 0.000 0.304 599 M C -1.411 174.900 176.300 0.018 0.000 1.217 599 M CA -1.199 54.118 55.300 0.029 0.000 0.922 599 M CB 2.325 34.944 32.600 0.031 0.000 1.637 599 M HN 0.336 nan 8.290 nan 0.000 0.492 600 L N 1.381 122.600 121.223 -0.007 0.000 2.385 600 L HA 0.550 4.888 4.340 -0.003 0.000 0.273 600 L C -1.727 175.131 176.870 -0.021 0.000 0.990 600 L CA 0.024 54.855 54.840 -0.015 0.000 0.821 600 L CB 1.990 44.028 42.059 -0.036 0.000 1.279 600 L HN 0.833 nan 8.230 nan 0.000 0.412 601 D N 6.585 126.977 120.400 -0.013 0.000 2.479 601 D HA 0.369 5.007 4.640 -0.003 0.000 0.247 601 D C -2.494 173.792 176.300 -0.024 0.000 1.119 601 D CA -1.947 52.044 54.000 -0.016 0.000 0.922 601 D CB 0.989 41.789 40.800 -0.000 0.000 1.014 601 D HN 0.328 nan 8.370 nan 0.000 0.510 602 P HA 0.121 nan 4.420 nan 0.000 0.264 602 P C -2.566 174.715 177.300 -0.033 0.000 1.193 602 P CA -1.011 62.066 63.100 -0.038 0.000 0.763 602 P CB 0.357 32.028 31.700 -0.048 0.000 0.810 603 P HA 0.176 nan 4.420 nan 0.000 0.268 603 P C 0.225 177.511 177.300 -0.023 0.000 1.205 603 P CA 0.059 63.137 63.100 -0.036 0.000 0.771 603 P CB 0.342 32.016 31.700 -0.042 0.000 0.858 604 R N 2.731 123.223 120.500 -0.014 0.000 2.638 604 R HA -0.076 4.262 4.340 -0.003 0.000 0.268 604 R C 1.782 178.086 176.300 0.006 0.000 1.006 604 R CA 0.500 56.603 56.100 0.004 0.000 1.088 604 R CB 0.091 30.409 30.300 0.029 0.000 0.950 604 R HN 0.480 nan 8.270 nan 0.000 0.419 605 K N 1.779 122.182 120.400 0.006 0.000 2.519 605 K HA -0.164 4.154 4.320 -0.003 0.000 0.196 605 K C -0.368 176.242 176.600 0.017 0.000 1.041 605 K CA 1.627 57.917 56.287 0.006 0.000 0.954 605 K CB 0.195 32.697 32.500 0.003 0.000 0.774 605 K HN 0.545 nan 8.250 nan 0.000 0.480 606 E N 0.603 120.822 120.200 0.031 0.000 2.693 606 E HA 0.009 4.357 4.350 -0.003 0.000 0.214 606 E C 1.294 177.940 176.600 0.077 0.000 0.990 606 E CA -0.009 56.419 56.400 0.046 0.000 1.047 606 E CB 1.064 30.792 29.700 0.045 0.000 1.039 606 E HN 0.204 nan 8.360 nan 0.000 0.475 607 V N -1.854 118.099 119.914 0.065 0.000 2.302 607 V HA -0.154 3.964 4.120 -0.003 0.000 0.243 607 V C 2.158 178.287 176.094 0.057 0.000 1.036 607 V CA 1.056 63.406 62.300 0.083 0.000 1.020 607 V CB -0.596 31.211 31.823 -0.026 0.000 0.657 607 V HN 0.197 nan 8.190 nan 0.000 0.453 608 M N 1.247 120.857 119.600 0.016 0.000 2.108 608 M HA -0.138 4.340 4.480 -0.003 0.000 0.257 608 M C 2.291 178.612 176.300 0.035 0.000 1.071 608 M CA 2.469 57.776 55.300 0.011 0.000 1.093 608 M CB -1.056 31.546 32.600 0.003 0.000 1.345 608 M HN 0.616 nan 8.290 nan 0.000 0.403 609 G N -0.485 108.340 108.800 0.043 0.000 2.484 609 G HA2 -0.207 3.752 3.960 -0.003 0.000 0.215 609 G HA3 -0.207 3.752 3.960 -0.003 0.000 0.215 609 G C 1.502 176.442 174.900 0.066 0.000 1.219 609 G CA 1.146 46.273 45.100 0.044 0.000 0.791 609 G HN 0.459 nan 8.290 nan 0.000 0.550 610 S N 0.638 116.397 115.700 0.099 0.000 2.387 610 S HA -0.129 4.339 4.470 -0.003 0.000 0.230 610 S C 2.272 176.979 174.600 0.179 0.000 1.035 610 S CA 1.082 59.360 58.200 0.129 0.000 1.014 610 S CB -0.199 63.112 63.200 0.185 0.000 0.836 610 S HN 0.292 nan 8.310 nan 0.000 0.466 611 I N 1.321 122.008 120.570 0.194 0.000 2.202 611 I HA -0.119 4.049 4.170 -0.003 0.000 0.242 611 I C 2.692 178.858 176.117 0.081 0.000 1.091 611 I CA 1.231 62.621 61.300 0.151 0.000 1.368 611 I CB -1.224 36.803 38.000 0.044 0.000 1.058 611 I HN 0.295 nan 8.210 nan 0.000 0.410 612 Q N 0.840 120.673 119.800 0.056 0.000 2.050 612 Q HA -0.154 4.184 4.340 -0.003 0.000 0.202 612 Q C 2.402 178.423 176.000 0.036 0.000 0.980 612 Q CA 1.375 57.200 55.803 0.037 0.000 0.840 612 Q CB -0.691 28.064 28.738 0.028 0.000 0.898 612 Q HN 0.467 nan 8.270 nan 0.000 0.424 613 L N -0.283 120.964 121.223 0.040 0.000 2.129 613 L HA -0.282 4.056 4.340 -0.003 0.000 0.212 613 L C 2.340 179.226 176.870 0.027 0.000 1.087 613 L CA 1.090 55.947 54.840 0.028 0.000 0.757 613 L CB -0.115 41.958 42.059 0.022 0.000 0.896 613 L HN 0.282 nan 8.230 nan 0.000 0.434 614 C N -1.024 118.303 119.300 0.044 0.000 2.467 614 C HA -0.042 4.416 4.460 -0.003 0.000 0.279 614 C C 2.706 177.715 174.990 0.033 0.000 1.347 614 C CA 0.157 59.201 59.018 0.042 0.000 1.748 614 C CB -0.812 26.977 27.740 0.082 0.000 1.977 614 C HN 0.471 nan 8.230 nan 0.000 0.501 615 R N 1.109 121.629 120.500 0.032 0.000 2.092 615 R HA -0.093 4.245 4.340 -0.003 0.000 0.231 615 R C 1.549 177.860 176.300 0.019 0.000 1.119 615 R CA 1.377 57.491 56.100 0.024 0.000 0.970 615 R CB -0.417 29.897 30.300 0.023 0.000 0.864 615 R HN 0.580 nan 8.270 nan 0.000 0.440 616 D N 1.401 121.811 120.400 0.018 0.000 2.077 616 D HA -0.108 4.530 4.640 -0.003 0.000 0.196 616 D C 1.745 178.051 176.300 0.012 0.000 0.986 616 D CA 1.519 55.527 54.000 0.013 0.000 0.829 616 D CB -0.370 40.437 40.800 0.012 0.000 0.983 616 D HN 0.198 nan 8.370 nan 0.000 0.453 617 A N 0.271 123.097 122.820 0.011 0.000 2.259 617 A HA 0.196 4.514 4.320 -0.003 0.000 0.212 617 A C 1.695 179.284 177.584 0.009 0.000 1.178 617 A CA 1.372 53.414 52.037 0.009 0.000 0.734 617 A CB -0.869 18.134 19.000 0.004 0.000 0.774 617 A HN 0.356 nan 8.150 nan 0.000 0.481 618 G N -1.014 107.793 108.800 0.011 0.000 2.221 618 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.265 618 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.265 618 G C -0.030 174.876 174.900 0.011 0.000 1.041 618 G CA 0.467 45.573 45.100 0.011 0.000 0.807 618 G HN 0.593 nan 8.290 nan 0.000 0.502 619 I N 0.223 120.802 120.570 0.015 0.000 2.330 619 I HA 0.337 4.505 4.170 -0.003 0.000 0.289 619 I C 0.982 177.116 176.117 0.029 0.000 1.001 619 I CA -0.870 60.441 61.300 0.018 0.000 1.193 619 I CB 1.283 39.291 38.000 0.014 0.000 1.345 619 I HN 0.061 nan 8.210 nan 0.000 0.461 620 R N 4.972 125.487 120.500 0.026 0.000 2.491 620 R HA 0.422 4.761 4.340 -0.003 0.000 0.283 620 R C -1.079 175.247 176.300 0.044 0.000 1.072 620 R CA -0.254 55.861 56.100 0.025 0.000 1.048 620 R CB 1.033 31.344 30.300 0.018 0.000 0.983 620 R HN 0.408 nan 8.270 nan 0.000 0.450 621 V N 7.001 126.932 119.914 0.029 0.000 2.357 621 V HA 0.330 4.448 4.120 -0.003 0.000 0.284 621 V C 0.086 176.162 176.094 -0.030 0.000 1.018 621 V CA -0.553 61.780 62.300 0.055 0.000 0.841 621 V CB 1.461 33.338 31.823 0.091 0.000 0.991 621 V HN 0.636 nan 8.190 nan 0.000 0.437 622 I N 5.650 126.229 120.570 0.015 0.000 2.330 622 I HA 0.430 4.598 4.170 -0.003 0.000 0.289 622 I C 0.099 176.216 176.117 0.000 0.000 1.001 622 I CA -0.192 61.105 61.300 -0.005 0.000 1.193 622 I CB 1.457 39.514 38.000 0.095 0.000 1.345 622 I HN 0.555 nan 8.210 nan 0.000 0.461 623 M N 7.488 127.045 119.600 -0.072 0.000 2.249 623 M HA 0.527 5.005 4.480 -0.003 0.000 0.351 623 M C -1.208 175.118 176.300 0.044 0.000 1.180 623 M CA -0.135 55.130 55.300 -0.057 0.000 1.127 623 M CB 1.124 33.643 32.600 -0.135 0.000 1.546 623 M HN 0.498 nan 8.290 nan 0.000 0.461 624 I N 3.806 124.412 120.570 0.059 0.000 2.439 624 I HA 0.320 4.488 4.170 -0.003 0.000 0.283 624 I C -0.404 175.750 176.117 0.061 0.000 1.023 624 I CA -0.400 60.965 61.300 0.108 0.000 1.100 624 I CB 2.013 40.070 38.000 0.095 0.000 1.238 624 I HN 0.656 nan 8.210 nan 0.000 0.445 625 T N 2.721 117.317 114.554 0.071 0.000 2.907 625 T HA 0.543 4.891 4.350 -0.003 0.000 0.290 625 T C 0.886 175.622 174.700 0.060 0.000 1.066 625 T CA -0.137 61.992 62.100 0.048 0.000 1.012 625 T CB 1.887 70.774 68.868 0.032 0.000 1.184 625 T HN 0.692 nan 8.240 nan 0.000 0.522 626 G N 0.665 109.494 108.800 0.048 0.000 2.662 626 G HA2 0.144 4.102 3.960 -0.003 0.000 0.212 626 G HA3 0.144 4.102 3.960 -0.003 0.000 0.212 626 G C 0.412 175.349 174.900 0.061 0.000 1.141 626 G CA -0.046 45.086 45.100 0.053 0.000 0.797 626 G HN 0.728 nan 8.290 nan 0.000 0.531 627 D N 0.896 121.329 120.400 0.054 0.000 2.319 627 D HA -0.029 4.609 4.640 -0.003 0.000 0.235 627 D C 0.586 176.927 176.300 0.068 0.000 1.304 627 D CA 0.428 54.462 54.000 0.058 0.000 0.894 627 D CB 0.437 41.266 40.800 0.049 0.000 1.183 627 D HN 0.517 nan 8.370 nan 0.000 0.472 628 N N -0.623 118.118 118.700 0.069 0.000 2.408 628 N HA 0.031 4.770 4.740 -0.003 0.000 0.260 628 N C 0.785 176.335 175.510 0.067 0.000 1.242 628 N CA -0.852 52.241 53.050 0.071 0.000 0.959 628 N CB 1.555 40.083 38.487 0.068 0.000 1.201 628 N HN 0.275 nan 8.380 nan 0.000 0.511 629 K N 0.224 120.663 120.400 0.066 0.000 2.044 629 K HA -0.177 4.141 4.320 -0.003 0.000 0.210 629 K C 1.986 178.612 176.600 0.043 0.000 1.049 629 K CA 1.880 58.200 56.287 0.055 0.000 0.927 629 K CB -0.856 31.670 32.500 0.043 0.000 0.713 629 K HN 0.768 nan 8.250 nan 0.000 0.443 630 G N -0.165 108.659 108.800 0.040 0.000 2.491 630 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.218 630 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.218 630 G C 1.435 176.363 174.900 0.046 0.000 1.180 630 G CA 1.541 46.662 45.100 0.036 0.000 0.774 630 G HN 0.364 nan 8.290 nan 0.000 0.562 631 T N 1.224 115.810 114.554 0.054 0.000 2.995 631 T HA 0.222 4.570 4.350 -0.003 0.000 0.269 631 T C 2.716 177.446 174.700 0.049 0.000 1.091 631 T CA 1.118 63.251 62.100 0.056 0.000 1.128 631 T CB -0.171 68.734 68.868 0.061 0.000 0.891 631 T HN 0.390 nan 8.240 nan 0.000 0.492 632 A N 1.614 124.465 122.820 0.051 0.000 1.841 632 A HA -0.004 4.314 4.320 -0.003 0.000 0.214 632 A C 2.199 179.821 177.584 0.062 0.000 1.195 632 A CA 1.153 53.218 52.037 0.047 0.000 0.611 632 A CB -0.784 18.248 19.000 0.053 0.000 0.835 632 A HN 0.485 nan 8.150 nan 0.000 0.443 633 I N 0.020 120.644 120.570 0.090 0.000 2.151 633 I HA -0.340 3.828 4.170 -0.003 0.000 0.243 633 I C 2.973 179.169 176.117 0.132 0.000 1.080 633 I CA 1.220 62.615 61.300 0.158 0.000 1.339 633 I CB -0.401 37.652 38.000 0.089 0.000 1.039 633 I HN 0.371 nan 8.210 nan 0.000 0.409 634 A N 0.828 123.693 122.820 0.075 0.000 1.940 634 A HA -0.195 4.123 4.320 -0.003 0.000 0.219 634 A C 2.272 179.884 177.584 0.048 0.000 1.176 634 A CA 1.721 53.793 52.037 0.058 0.000 0.631 634 A CB -0.835 18.195 19.000 0.049 0.000 0.814 634 A HN 0.460 nan 8.150 nan 0.000 0.446 635 I N -1.383 119.208 120.570 0.035 0.000 2.500 635 I HA -0.209 3.960 4.170 -0.003 0.000 0.252 635 I C 2.383 178.490 176.117 -0.016 0.000 1.142 635 I CA 0.449 61.751 61.300 0.004 0.000 1.451 635 I CB -0.364 37.629 38.000 -0.011 0.000 1.093 635 I HN 0.360 nan 8.210 nan 0.000 0.430 636 C N 1.025 120.322 119.300 -0.004 0.000 2.413 636 C HA -0.142 4.316 4.460 -0.003 0.000 0.276 636 C C 2.980 177.971 174.990 0.001 0.000 1.248 636 C CA 1.039 60.016 59.018 -0.068 0.000 1.742 636 C CB -1.086 26.580 27.740 -0.124 0.000 2.017 636 C HN 0.427 nan 8.230 nan 0.000 0.481 637 R N 0.308 120.872 120.500 0.105 0.000 2.066 637 R HA -0.110 4.228 4.340 -0.003 0.000 0.232 637 R C 2.378 178.699 176.300 0.036 0.000 1.131 637 R CA 1.338 57.501 56.100 0.105 0.000 0.955 637 R CB -0.507 29.854 30.300 0.100 0.000 0.851 637 R HN 0.497 nan 8.270 nan 0.000 0.432 638 R N 1.848 122.360 120.500 0.019 0.000 2.153 638 R HA -0.170 4.168 4.340 -0.003 0.000 0.252 638 R C 1.983 178.273 176.300 -0.017 0.000 1.158 638 R CA 2.017 58.117 56.100 -0.001 0.000 0.975 638 R CB -0.323 29.974 30.300 -0.006 0.000 0.871 638 R HN 0.471 nan 8.270 nan 0.000 0.450 639 I N -4.951 115.597 120.570 -0.036 0.000 3.968 639 I HA 0.464 4.633 4.170 -0.003 0.000 0.328 639 I C 1.035 177.122 176.117 -0.049 0.000 1.290 639 I CA 0.448 61.715 61.300 -0.055 0.000 1.163 639 I CB 0.982 38.921 38.000 -0.102 0.000 1.024 639 I HN 0.307 nan 8.210 nan 0.000 0.413 640 G N 1.817 110.598 108.800 -0.032 0.000 2.201 640 G HA2 -0.211 3.748 3.960 -0.003 0.000 0.212 640 G HA3 -0.211 3.748 3.960 -0.003 0.000 0.212 640 G C 0.706 175.582 174.900 -0.040 0.000 0.994 640 G CA 0.197 45.287 45.100 -0.017 0.000 0.644 640 G HN 0.226 nan 8.290 nan 0.000 0.508 641 I N -0.001 120.495 120.570 -0.124 0.000 2.530 641 I HA 0.127 4.295 4.170 -0.003 0.000 0.257 641 I C 0.797 176.759 176.117 -0.259 0.000 1.179 641 I CA 1.303 62.447 61.300 -0.261 0.000 1.440 641 I CB -0.891 36.833 38.000 -0.460 0.000 1.087 641 I HN 0.145 nan 8.210 nan 0.000 0.440 642 F N -0.516 119.412 119.950 -0.037 0.000 2.613 642 F HA 0.624 5.149 4.527 -0.003 0.000 0.314 642 F C 0.782 176.565 175.800 -0.028 0.000 1.075 642 F CA -1.656 56.323 58.000 -0.035 0.000 0.945 642 F CB 1.229 40.204 39.000 -0.042 0.000 1.310 642 F HN -0.268 nan 8.300 nan 0.000 0.467 643 G N 0.663 109.576 108.800 0.188 0.000 2.372 643 G HA2 0.318 4.276 3.960 -0.003 0.000 0.283 643 G HA3 0.318 4.276 3.960 -0.003 0.000 0.283 643 G C 0.544 175.469 174.900 0.042 0.000 1.177 643 G CA -0.273 44.873 45.100 0.078 0.000 0.842 643 G HN 0.794 nan 8.290 nan 0.000 0.503 644 E N 1.288 121.507 120.200 0.030 0.000 2.164 644 E HA -0.224 4.124 4.350 -0.003 0.000 0.206 644 E C 1.506 178.098 176.600 -0.013 0.000 1.032 644 E CA 1.749 58.156 56.400 0.013 0.000 0.832 644 E CB 0.184 29.889 29.700 0.008 0.000 0.742 644 E HN 0.530 nan 8.360 nan 0.000 0.460 645 N N 0.437 119.124 118.700 -0.023 0.000 2.197 645 N HA -0.014 4.724 4.740 -0.003 0.000 0.201 645 N C -0.381 175.089 175.510 -0.068 0.000 1.148 645 N CA 0.086 53.111 53.050 -0.042 0.000 0.883 645 N CB 0.431 38.900 38.487 -0.030 0.000 1.012 645 N HN 0.315 nan 8.380 nan 0.000 0.507 646 E N 1.458 121.614 120.200 -0.073 0.000 2.452 646 E HA -0.003 4.346 4.350 -0.003 0.000 0.261 646 E C -0.203 176.283 176.600 -0.190 0.000 0.987 646 E CA -0.012 56.325 56.400 -0.105 0.000 0.926 646 E CB 0.736 30.391 29.700 -0.076 0.000 0.934 646 E HN -0.149 nan 8.360 nan 0.000 0.452 647 E N 2.353 122.451 120.200 -0.170 0.000 2.376 647 E HA 0.046 4.394 4.350 -0.003 0.000 0.266 647 E C 0.036 176.450 176.600 -0.310 0.000 1.009 647 E CA -0.068 56.211 56.400 -0.202 0.000 0.902 647 E CB 1.555 31.174 29.700 -0.134 0.000 0.972 647 E HN 0.542 nan 8.360 nan 0.000 0.439 648 V N 0.822 120.503 119.914 -0.388 0.000 3.111 648 V HA 0.371 4.489 4.120 -0.003 0.000 0.343 648 V C 1.265 177.165 176.094 -0.324 0.000 1.417 648 V CA 0.241 62.231 62.300 -0.517 0.000 1.142 648 V CB 0.237 31.433 31.823 -1.045 0.000 1.114 648 V HN 0.528 nan 8.190 nan 0.000 0.520 649 A N 2.025 124.705 122.820 -0.232 0.000 2.139 649 A HA -0.175 4.143 4.320 -0.003 0.000 0.221 649 A C 1.465 178.916 177.584 -0.222 0.000 1.159 649 A CA 2.308 54.228 52.037 -0.193 0.000 0.662 649 A CB -0.451 18.470 19.000 -0.132 0.000 0.796 649 A HN 0.942 nan 8.150 nan 0.000 0.463 650 D N -3.459 116.826 120.400 -0.191 0.000 2.562 650 D HA 0.140 4.778 4.640 -0.003 0.000 0.246 650 D C 0.909 177.193 176.300 -0.025 0.000 1.347 650 D CA -0.269 53.652 54.000 -0.131 0.000 0.800 650 D CB -0.048 40.763 40.800 0.019 0.000 1.111 650 D HN 0.393 nan 8.370 nan 0.000 0.508 651 R N 0.465 120.911 120.500 -0.090 0.000 2.472 651 R HA 0.634 4.972 4.340 -0.003 0.000 0.279 651 R C -0.236 176.135 176.300 0.118 0.000 0.953 651 R CA -0.157 56.001 56.100 0.096 0.000 1.088 651 R CB 1.377 31.785 30.300 0.180 0.000 1.197 651 R HN 0.132 nan 8.270 nan 0.000 0.536 652 A N 0.825 123.551 122.820 -0.156 0.000 2.408 652 A HA 0.670 4.989 4.320 -0.003 0.000 0.295 652 A C -1.614 175.745 177.584 -0.375 0.000 1.040 652 A CA -0.535 51.415 52.037 -0.145 0.000 0.707 652 A CB 0.936 19.931 19.000 -0.007 0.000 1.235 652 A HN 0.149 nan 8.150 nan 0.000 0.418 653 Y N 0.102 120.329 120.300 -0.122 0.000 2.576 653 Y HA 0.684 5.232 4.550 -0.003 0.000 0.346 653 Y C 0.755 176.763 175.900 0.179 0.000 1.018 653 Y CA -0.347 57.797 58.100 0.073 0.000 1.050 653 Y CB 2.537 41.141 38.460 0.239 0.000 1.280 653 Y HN 0.727 nan 8.280 nan 0.000 0.474 654 T N -2.396 112.388 114.554 0.383 0.000 2.859 654 T HA 0.413 4.761 4.350 -0.003 0.000 0.281 654 T C 1.211 176.142 174.700 0.384 0.000 1.005 654 T CA -0.262 62.026 62.100 0.314 0.000 1.025 654 T CB 1.554 70.547 68.868 0.209 0.000 0.977 654 T HN 0.883 nan 8.240 nan 0.000 0.458 655 G N 1.830 110.842 108.800 0.354 0.000 2.596 655 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.223 655 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.223 655 G C 1.626 176.793 174.900 0.445 0.000 1.120 655 G CA 0.665 46.032 45.100 0.445 0.000 0.752 655 G HN 0.689 nan 8.290 nan 0.000 0.596 656 R N 0.884 121.565 120.500 0.301 0.000 2.061 656 R HA -0.028 4.311 4.340 -0.003 0.000 0.230 656 R C 2.570 179.018 176.300 0.248 0.000 1.140 656 R CA 1.805 58.047 56.100 0.237 0.000 0.940 656 R CB -0.836 29.563 30.300 0.166 0.000 0.839 656 R HN 0.564 nan 8.270 nan 0.000 0.429 657 E N -0.673 119.691 120.200 0.274 0.000 2.219 657 E HA -0.208 4.140 4.350 -0.003 0.000 0.198 657 E C 1.780 178.566 176.600 0.309 0.000 0.998 657 E CA 1.243 57.816 56.400 0.287 0.000 0.818 657 E CB -0.284 29.628 29.700 0.354 0.000 0.741 657 E HN 0.239 nan 8.360 nan 0.000 0.477 658 F N 1.879 121.931 119.950 0.171 0.000 2.163 658 F HA -0.122 4.403 4.527 -0.003 0.000 0.297 658 F C 1.659 177.450 175.800 -0.016 0.000 1.094 658 F CA 1.314 59.323 58.000 0.015 0.000 1.290 658 F CB 0.125 39.094 39.000 -0.052 0.000 1.017 658 F HN -0.136 nan 8.300 nan 0.000 0.483 659 D N 0.069 120.585 120.400 0.193 0.000 2.264 659 D HA -0.136 4.503 4.640 -0.003 0.000 0.208 659 D C 1.694 178.011 176.300 0.028 0.000 0.966 659 D CA 1.023 55.093 54.000 0.116 0.000 0.864 659 D CB -0.345 40.586 40.800 0.219 0.000 0.933 659 D HN 0.323 nan 8.370 nan 0.000 0.499 660 D N 0.072 120.493 120.400 0.036 0.000 2.123 660 D HA -0.003 4.635 4.640 -0.003 0.000 0.200 660 D C 0.840 177.115 176.300 -0.042 0.000 0.976 660 D CA 0.227 54.237 54.000 0.016 0.000 0.831 660 D CB 0.013 40.844 40.800 0.052 0.000 0.974 660 D HN 0.217 nan 8.370 nan 0.000 0.469 661 L N 2.679 123.838 121.223 -0.107 0.000 2.483 661 L HA 0.140 4.479 4.340 -0.003 0.000 0.276 661 L C -1.881 174.876 176.870 -0.188 0.000 1.213 661 L CA -1.369 53.372 54.840 -0.165 0.000 0.843 661 L CB -0.218 41.668 42.059 -0.288 0.000 1.107 661 L HN -0.051 nan 8.230 nan 0.000 0.487 662 P HA 0.063 nan 4.420 nan 0.000 0.274 662 P C 0.561 177.769 177.300 -0.155 0.000 1.231 662 P CA -0.560 62.472 63.100 -0.114 0.000 0.790 662 P CB 0.952 32.606 31.700 -0.076 0.000 0.951 663 L N 1.575 122.740 121.223 -0.097 0.000 2.468 663 L HA -0.254 4.084 4.340 -0.003 0.000 0.225 663 L C 2.464 179.264 176.870 -0.117 0.000 1.139 663 L CA 2.444 57.247 54.840 -0.062 0.000 0.792 663 L CB -1.587 40.488 42.059 0.026 0.000 0.916 663 L HN 0.471 nan 8.230 nan 0.000 0.446 664 A N -1.045 121.699 122.820 -0.127 0.000 1.887 664 A HA -0.068 4.251 4.320 -0.003 0.000 0.212 664 A C 2.245 179.717 177.584 -0.187 0.000 1.198 664 A CA 0.732 52.695 52.037 -0.124 0.000 0.628 664 A CB -0.281 18.675 19.000 -0.073 0.000 0.847 664 A HN 0.405 nan 8.150 nan 0.000 0.449 665 E N 0.019 120.099 120.200 -0.200 0.000 2.268 665 E HA -0.173 4.176 4.350 -0.003 0.000 0.195 665 E C 2.143 178.522 176.600 -0.367 0.000 0.995 665 E CA 0.954 57.224 56.400 -0.216 0.000 0.836 665 E CB -0.106 29.490 29.700 -0.173 0.000 0.763 665 E HN 0.678 nan 8.360 nan 0.000 0.491 666 Q N 0.166 119.632 119.800 -0.556 0.000 2.119 666 Q HA -0.146 4.192 4.340 -0.003 0.000 0.201 666 Q C 2.205 177.724 176.000 -0.802 0.000 0.972 666 Q CA 0.923 56.193 55.803 -0.889 0.000 0.847 666 Q CB -0.117 28.000 28.738 -1.034 0.000 0.903 666 Q HN 0.130 nan 8.270 nan 0.000 0.433 667 R N 0.928 120.906 120.500 -0.870 0.000 2.092 667 R HA -0.166 4.173 4.340 -0.003 0.000 0.231 667 R C 1.849 178.110 176.300 -0.064 0.000 1.119 667 R CA 1.310 57.040 56.100 -0.618 0.000 0.970 667 R CB 0.111 30.203 30.300 -0.346 0.000 0.864 667 R HN 0.070 nan 8.270 nan 0.000 0.440 668 E N -0.000 120.150 120.200 -0.083 0.000 2.150 668 E HA -0.068 4.280 4.350 -0.003 0.000 0.193 668 E C 1.560 178.161 176.600 0.002 0.000 0.985 668 E CA 1.347 57.757 56.400 0.017 0.000 0.814 668 E CB 0.011 29.701 29.700 -0.016 0.000 0.752 668 E HN 0.472 nan 8.360 nan 0.000 0.466 669 A N -0.648 122.139 122.820 -0.056 0.000 2.016 669 A HA -0.105 4.214 4.320 -0.003 0.000 0.217 669 A C 2.231 179.898 177.584 0.138 0.000 1.162 669 A CA 0.989 53.022 52.037 -0.006 0.000 0.662 669 A CB -0.545 18.279 19.000 -0.293 0.000 0.812 669 A HN 0.437 nan 8.150 nan 0.000 0.450 670 C N -0.195 119.218 119.300 0.188 0.000 2.456 670 C HA 0.019 4.478 4.460 -0.003 0.000 0.279 670 C C 2.589 177.678 174.990 0.165 0.000 1.427 670 C CA 0.877 60.065 59.018 0.284 0.000 1.778 670 C CB -1.310 26.650 27.740 0.367 0.000 1.842 670 C HN 0.774 nan 8.230 nan 0.000 0.531 671 R N 1.378 121.899 120.500 0.035 0.000 2.280 671 R HA 0.076 4.414 4.340 -0.003 0.000 0.195 671 R C 1.870 178.116 176.300 -0.091 0.000 0.935 671 R CA 0.620 56.616 56.100 -0.175 0.000 1.033 671 R CB -0.277 29.628 30.300 -0.658 0.000 0.964 671 R HN 0.629 nan 8.270 nan 0.000 0.489 672 R N 0.054 120.555 120.500 0.001 0.000 2.342 672 R HA 0.397 4.735 4.340 -0.003 0.000 0.204 672 R C 0.512 176.859 176.300 0.078 0.000 0.882 672 R CA 0.236 56.356 56.100 0.034 0.000 1.041 672 R CB 0.145 30.475 30.300 0.050 0.000 1.188 672 R HN 0.065 nan 8.270 nan 0.000 0.598 673 A N 0.603 123.479 122.820 0.093 0.000 2.429 673 A HA 0.278 4.596 4.320 -0.003 0.000 0.242 673 A C 0.445 178.005 177.584 -0.041 0.000 1.088 673 A CA 0.181 52.238 52.037 0.034 0.000 0.784 673 A CB 0.349 19.274 19.000 -0.125 0.000 1.038 673 A HN 0.571 nan 8.150 nan 0.000 0.501 674 C N -1.014 118.210 119.300 -0.126 0.000 4.095 674 C HA 0.344 4.803 4.460 -0.003 0.000 0.327 674 C C 0.144 174.943 174.990 -0.318 0.000 1.811 674 C CA -0.267 58.610 59.018 -0.235 0.000 1.785 674 C CB -0.975 26.518 27.740 -0.412 0.000 3.120 674 C HN 0.869 nan 8.230 nan 0.000 0.621 675 C N 1.803 120.915 119.300 -0.314 0.000 2.522 675 C HA 0.722 5.181 4.460 -0.003 0.000 0.344 675 C C -1.621 173.192 174.990 -0.295 0.000 1.104 675 C CA -0.350 58.529 59.018 -0.231 0.000 1.317 675 C CB -0.682 26.995 27.740 -0.105 0.000 1.896 675 C HN 0.409 nan 8.230 nan 0.000 0.443 676 F N 4.519 124.485 119.950 0.026 0.000 2.402 676 F HA 0.664 5.189 4.527 -0.003 0.000 0.355 676 F C 0.589 176.414 175.800 0.041 0.000 1.123 676 F CA -0.225 57.797 58.000 0.036 0.000 1.021 676 F CB 1.642 40.626 39.000 -0.027 0.000 1.160 676 F HN 0.769 nan 8.300 nan 0.000 0.451 677 A N 4.280 127.249 122.820 0.249 0.000 2.318 677 A HA 0.784 5.102 4.320 -0.003 0.000 0.324 677 A C -0.072 177.615 177.584 0.172 0.000 1.170 677 A CA -0.807 51.331 52.037 0.168 0.000 0.810 677 A CB 0.711 19.784 19.000 0.121 0.000 1.198 677 A HN 0.753 nan 8.150 nan 0.000 0.484 678 R N 0.423 121.000 120.500 0.129 0.000 3.144 678 R HA -0.117 4.222 4.340 -0.003 0.000 0.255 678 R C -0.593 175.779 176.300 0.120 0.000 0.949 678 R CA 0.387 56.552 56.100 0.109 0.000 0.649 678 R CB -2.714 27.654 30.300 0.113 0.000 1.229 678 R HN 0.546 nan 8.270 nan 0.000 0.440 679 V N 1.509 121.479 119.914 0.094 0.000 2.785 679 V HA 0.155 4.273 4.120 -0.003 0.000 0.300 679 V C 1.227 177.253 176.094 -0.114 0.000 1.062 679 V CA -0.365 61.982 62.300 0.078 0.000 1.029 679 V CB 1.677 33.530 31.823 0.051 0.000 1.024 679 V HN 0.222 nan 8.190 nan 0.000 0.477 680 E N 5.440 125.350 120.200 -0.484 0.000 2.369 680 E HA 0.207 4.555 4.350 -0.003 0.000 0.255 680 E C -1.505 174.848 176.600 -0.411 0.000 1.172 680 E CA -1.686 54.347 56.400 -0.612 0.000 0.932 680 E CB 0.215 29.288 29.700 -1.046 0.000 1.040 680 E HN 0.434 nan 8.360 nan 0.000 0.454 681 P HA -0.076 nan 4.420 nan 0.000 0.216 681 P C 0.711 177.929 177.300 -0.135 0.000 1.150 681 P CA 1.165 64.167 63.100 -0.164 0.000 0.837 681 P CB 0.317 31.939 31.700 -0.131 0.000 0.786 682 S N -1.696 113.922 115.700 -0.137 0.000 2.597 682 S HA 0.075 4.544 4.470 -0.003 0.000 0.224 682 S C 1.403 176.044 174.600 0.068 0.000 0.955 682 S CA -0.282 57.898 58.200 -0.033 0.000 0.933 682 S CB -0.852 62.350 63.200 0.004 0.000 0.788 682 S HN 0.387 nan 8.310 nan 0.000 0.488 683 H N 1.421 120.428 119.070 -0.105 0.000 2.343 683 H HA 0.091 4.645 4.556 -0.003 0.000 0.303 683 H C 2.049 177.230 175.328 -0.246 0.000 1.068 683 H CA 0.809 56.741 56.048 -0.194 0.000 1.359 683 H CB 0.128 29.703 29.762 -0.311 0.000 1.402 683 H HN 0.223 nan 8.280 nan 0.000 0.515 684 K N 0.561 120.915 120.400 -0.076 0.000 2.089 684 K HA -0.163 4.156 4.320 -0.003 0.000 0.210 684 K C 2.476 179.026 176.600 -0.083 0.000 1.048 684 K CA 1.556 57.778 56.287 -0.108 0.000 0.926 684 K CB -0.096 32.362 32.500 -0.069 0.000 0.714 684 K HN 0.079 nan 8.250 nan 0.000 0.448 685 S N 0.718 116.382 115.700 -0.061 0.000 2.356 685 S HA -0.120 4.348 4.470 -0.003 0.000 0.223 685 S C 1.708 176.250 174.600 -0.097 0.000 1.032 685 S CA 1.268 59.430 58.200 -0.064 0.000 1.005 685 S CB -0.024 63.144 63.200 -0.053 0.000 0.867 685 S HN 0.276 nan 8.310 nan 0.000 0.449 686 K N 0.636 120.978 120.400 -0.098 0.000 2.057 686 K HA -0.015 4.304 4.320 -0.003 0.000 0.207 686 K C 1.999 178.515 176.600 -0.140 0.000 1.049 686 K CA 1.193 57.366 56.287 -0.190 0.000 0.931 686 K CB -0.396 32.080 32.500 -0.040 0.000 0.714 686 K HN 0.322 nan 8.250 nan 0.000 0.440 687 I N 0.881 121.409 120.570 -0.070 0.000 2.118 687 I HA -0.326 3.843 4.170 -0.003 0.000 0.241 687 I C 2.288 178.439 176.117 0.057 0.000 1.070 687 I CA 1.245 62.548 61.300 0.004 0.000 1.327 687 I CB -0.419 37.457 38.000 -0.206 0.000 1.034 687 I HN -0.074 nan 8.210 nan 0.000 0.405 688 V N 0.760 120.667 119.914 -0.010 0.000 2.332 688 V HA -0.339 3.780 4.120 -0.003 0.000 0.248 688 V C 2.504 178.597 176.094 -0.002 0.000 1.055 688 V CA 2.399 64.700 62.300 0.003 0.000 1.038 688 V CB -0.746 31.063 31.823 -0.023 0.000 0.651 688 V HN 0.558 nan 8.190 nan 0.000 0.450 689 E N -0.679 119.474 120.200 -0.078 0.000 2.072 689 E HA -0.231 4.117 4.350 -0.003 0.000 0.191 689 E C 2.146 178.711 176.600 -0.058 0.000 0.985 689 E CA 1.474 57.798 56.400 -0.126 0.000 0.801 689 E CB -0.256 29.289 29.700 -0.258 0.000 0.750 689 E HN 0.662 nan 8.360 nan 0.000 0.452 690 Y N -0.099 120.230 120.300 0.048 0.000 2.421 690 Y HA -0.059 4.489 4.550 -0.003 0.000 0.292 690 Y C 1.908 177.897 175.900 0.148 0.000 1.136 690 Y CA 0.499 58.645 58.100 0.076 0.000 1.255 690 Y CB -0.133 38.416 38.460 0.147 0.000 0.991 690 Y HN 0.154 nan 8.280 nan 0.000 0.552 691 L N -0.358 121.040 121.223 0.291 0.000 2.095 691 L HA -0.136 4.203 4.340 -0.003 0.000 0.204 691 L C 2.163 179.154 176.870 0.203 0.000 1.080 691 L CA 1.586 56.591 54.840 0.275 0.000 0.759 691 L CB -0.832 41.336 42.059 0.181 0.000 0.914 691 L HN 0.179 nan 8.230 nan 0.000 0.439 692 Q N -1.117 118.748 119.800 0.109 0.000 2.291 692 Q HA -0.163 4.175 4.340 -0.003 0.000 0.206 692 Q C 2.157 178.178 176.000 0.035 0.000 0.976 692 Q CA 1.503 57.341 55.803 0.058 0.000 0.875 692 Q CB -0.267 28.480 28.738 0.015 0.000 0.927 692 Q HN 0.638 nan 8.270 nan 0.000 0.450 693 S N -0.635 115.066 115.700 0.002 0.000 2.481 693 S HA -0.109 4.359 4.470 -0.003 0.000 0.231 693 S C 1.020 175.510 174.600 -0.184 0.000 0.996 693 S CA 0.513 58.642 58.200 -0.119 0.000 0.942 693 S CB -0.135 62.949 63.200 -0.195 0.000 0.768 693 S HN 0.360 nan 8.310 nan 0.000 0.520 694 Y N 2.212 122.546 120.300 0.056 0.000 2.583 694 Y HA 0.290 4.838 4.550 -0.003 0.000 0.294 694 Y C 0.204 176.122 175.900 0.030 0.000 1.170 694 Y CA -1.145 56.981 58.100 0.043 0.000 1.265 694 Y CB -0.509 37.981 38.460 0.051 0.000 1.119 694 Y HN 0.188 nan 8.280 nan 0.000 0.522 695 D N 0.757 121.234 120.400 0.129 0.000 2.772 695 D HA -0.231 4.407 4.640 -0.003 0.000 0.233 695 D C -0.405 175.939 176.300 0.075 0.000 1.143 695 D CA 0.823 54.870 54.000 0.078 0.000 0.700 695 D CB -0.804 40.034 40.800 0.063 0.000 1.076 695 D HN 0.529 nan 8.370 nan 0.000 0.430 696 E N -0.059 120.197 120.200 0.093 0.000 2.151 696 E HA 0.345 4.693 4.350 -0.003 0.000 0.275 696 E C 0.235 176.860 176.600 0.042 0.000 0.936 696 E CA -1.007 55.433 56.400 0.067 0.000 0.777 696 E CB 1.260 31.012 29.700 0.088 0.000 1.108 696 E HN -0.002 nan 8.360 nan 0.000 0.401 697 I N 3.228 123.808 120.570 0.016 0.000 2.494 697 I HA -0.016 4.152 4.170 -0.003 0.000 0.289 697 I C 0.207 176.328 176.117 0.006 0.000 1.106 697 I CA 0.656 61.955 61.300 -0.002 0.000 1.369 697 I CB 0.305 38.289 38.000 -0.026 0.000 1.410 697 I HN 0.332 nan 8.210 nan 0.000 0.523 698 T N 6.154 120.715 114.554 0.011 0.000 2.859 698 T HA 0.771 5.119 4.350 -0.003 0.000 0.281 698 T C -0.093 174.610 174.700 0.006 0.000 1.005 698 T CA -0.703 61.407 62.100 0.018 0.000 1.025 698 T CB 1.525 70.413 68.868 0.034 0.000 0.977 698 T HN 0.621 nan 8.240 nan 0.000 0.458 699 A N 3.103 125.929 122.820 0.010 0.000 2.304 699 A HA 0.823 5.141 4.320 -0.003 0.000 0.323 699 A C -0.546 177.051 177.584 0.021 0.000 1.195 699 A CA -0.753 51.285 52.037 0.002 0.000 0.826 699 A CB 0.772 19.765 19.000 -0.012 0.000 1.184 699 A HN 0.753 nan 8.150 nan 0.000 0.496 700 M N 2.953 122.562 119.600 0.015 0.000 2.213 700 M HA 0.453 4.931 4.480 -0.003 0.000 0.286 700 M C 0.068 176.380 176.300 0.021 0.000 1.008 700 M CA -0.106 55.208 55.300 0.023 0.000 0.937 700 M CB 1.773 34.379 32.600 0.010 0.000 1.600 700 M HN 0.853 nan 8.290 nan 0.000 0.450 701 T N 1.537 116.114 114.554 0.037 0.000 2.824 701 T HA 1.003 5.351 4.350 -0.003 0.000 0.277 701 T C 0.334 175.048 174.700 0.023 0.000 0.975 701 T CA 0.098 62.219 62.100 0.036 0.000 0.966 701 T CB 1.222 70.129 68.868 0.064 0.000 1.054 701 T HN 1.693 nan 8.240 nan 0.000 0.533 702 G N 0.508 109.320 108.800 0.020 0.000 2.348 702 G HA2 0.395 4.353 3.960 -0.003 0.000 0.606 702 G HA3 0.395 4.353 3.960 -0.003 0.000 0.606 702 G C -1.612 173.292 174.900 0.008 0.000 1.466 702 G CA -0.143 44.964 45.100 0.011 0.000 0.950 702 G HN 1.246 nan 8.290 nan 0.000 0.657 703 D N -0.531 119.873 120.400 0.006 0.000 2.744 703 D HA 0.829 5.467 4.640 -0.003 0.000 0.304 703 D C 0.629 176.932 176.300 0.005 0.000 1.179 703 D CA 0.624 54.629 54.000 0.009 0.000 1.024 703 D CB 1.293 42.102 40.800 0.015 0.000 1.453 703 D HN 2.389 nan 8.370 nan 0.000 0.529 704 G N -1.248 107.562 108.800 0.018 0.000 2.781 704 G HA2 -0.077 3.881 3.960 -0.003 0.000 0.683 704 G HA3 -0.077 3.881 3.960 -0.003 0.000 0.683 704 G C 0.963 175.876 174.900 0.022 0.000 1.390 704 G CA 0.494 45.604 45.100 0.017 0.000 0.850 704 G HN 1.396 nan 8.290 nan 0.000 0.557 705 V N -1.662 118.272 119.914 0.033 0.000 2.759 705 V HA -0.109 4.009 4.120 -0.003 0.000 0.256 705 V C 2.266 178.350 176.094 -0.016 0.000 1.080 705 V CA 2.308 64.626 62.300 0.031 0.000 1.101 705 V CB -0.458 31.403 31.823 0.063 0.000 0.698 705 V HN 0.687 nan 8.190 nan 0.000 0.477 706 N N 1.262 119.937 118.700 -0.042 0.000 2.289 706 N HA -0.150 4.588 4.740 -0.003 0.000 0.184 706 N C 1.358 176.841 175.510 -0.045 0.000 1.016 706 N CA 1.903 54.917 53.050 -0.061 0.000 0.872 706 N CB -0.342 38.097 38.487 -0.079 0.000 0.973 706 N HN 0.581 nan 8.380 nan 0.000 0.433 707 D N 0.339 120.721 120.400 -0.030 0.000 2.327 707 D HA 0.187 4.826 4.640 -0.003 0.000 0.205 707 D C 1.823 178.112 176.300 -0.020 0.000 0.989 707 D CA 0.293 54.278 54.000 -0.025 0.000 0.873 707 D CB -0.099 40.691 40.800 -0.016 0.000 0.955 707 D HN 0.105 nan 8.370 nan 0.000 0.515 708 A N 1.902 124.714 122.820 -0.013 0.000 1.909 708 A HA -0.216 4.102 4.320 -0.003 0.000 0.221 708 A C -0.233 177.339 177.584 -0.019 0.000 1.223 708 A CA 1.847 53.877 52.037 -0.012 0.000 0.658 708 A CB -1.696 17.301 19.000 -0.004 0.000 0.831 708 A HN 0.207 nan 8.150 nan 0.000 0.462 709 P HA -0.200 nan 4.420 nan 0.000 0.213 709 P C 1.903 179.185 177.300 -0.030 0.000 1.170 709 P CA 2.265 65.349 63.100 -0.027 0.000 0.902 709 P CB -0.258 31.423 31.700 -0.031 0.000 0.789 710 A N -0.394 122.407 122.820 -0.032 0.000 1.884 710 A HA -0.239 4.079 4.320 -0.003 0.000 0.219 710 A C 2.282 179.851 177.584 -0.026 0.000 1.197 710 A CA 2.015 54.033 52.037 -0.032 0.000 0.637 710 A CB -1.835 17.145 19.000 -0.034 0.000 0.827 710 A HN 0.096 nan 8.150 nan 0.000 0.450 711 L N -1.037 120.174 121.223 -0.021 0.000 2.043 711 L HA -0.252 4.087 4.340 -0.003 0.000 0.212 711 L C 2.651 179.508 176.870 -0.022 0.000 1.075 711 L CA 2.109 56.938 54.840 -0.018 0.000 0.752 711 L CB -0.643 41.407 42.059 -0.016 0.000 0.891 711 L HN 0.439 nan 8.230 nan 0.000 0.432 712 K N 0.712 121.098 120.400 -0.024 0.000 2.103 712 K HA -0.178 4.140 4.320 -0.003 0.000 0.207 712 K C 2.059 178.642 176.600 -0.028 0.000 1.048 712 K CA 1.538 57.809 56.287 -0.026 0.000 0.930 712 K CB -0.047 32.437 32.500 -0.026 0.000 0.716 712 K HN 0.111 nan 8.250 nan 0.000 0.444 713 K N 0.058 120.441 120.400 -0.028 0.000 1.991 713 K HA 0.089 4.407 4.320 -0.003 0.000 0.207 713 K C 0.506 177.091 176.600 -0.025 0.000 1.045 713 K CA 0.700 56.969 56.287 -0.030 0.000 0.937 713 K CB -0.355 32.123 32.500 -0.036 0.000 0.720 713 K HN 0.247 nan 8.250 nan 0.000 0.438 714 A N 1.713 124.520 122.820 -0.021 0.000 2.613 714 A HA -0.119 4.199 4.320 -0.003 0.000 0.230 714 A C 0.674 178.246 177.584 -0.019 0.000 1.051 714 A CA 0.307 52.335 52.037 -0.014 0.000 0.754 714 A CB 0.142 19.137 19.000 -0.009 0.000 0.979 714 A HN 0.313 nan 8.150 nan 0.000 0.510 715 E N 0.265 120.454 120.200 -0.017 0.000 2.204 715 E HA 0.005 4.354 4.350 -0.003 0.000 0.194 715 E C -0.201 176.381 176.600 -0.029 0.000 0.989 715 E CA 1.261 57.646 56.400 -0.025 0.000 0.824 715 E CB -0.085 29.600 29.700 -0.025 0.000 0.756 715 E HN 0.600 nan 8.360 nan 0.000 0.477 716 I N 0.225 120.780 120.570 -0.025 0.000 2.583 716 I HA 0.285 4.453 4.170 -0.003 0.000 0.276 716 I C 0.001 176.104 176.117 -0.022 0.000 1.089 716 I CA -0.705 60.577 61.300 -0.029 0.000 1.103 716 I CB 1.929 39.908 38.000 -0.035 0.000 1.209 716 I HN -0.116 nan 8.210 nan 0.000 0.484 717 G N 6.794 115.580 108.800 -0.023 0.000 2.355 717 G HA2 0.652 4.610 3.960 -0.003 0.000 0.276 717 G HA3 0.652 4.610 3.960 -0.003 0.000 0.276 717 G C -0.379 174.510 174.900 -0.017 0.000 1.198 717 G CA -0.194 44.895 45.100 -0.017 0.000 0.876 717 G HN 0.479 nan 8.290 nan 0.000 0.478 718 I N 1.792 122.356 120.570 -0.010 0.000 2.406 718 I HA 0.557 4.725 4.170 -0.003 0.000 0.290 718 I C 0.464 176.582 176.117 0.000 0.000 0.999 718 I CA -0.741 60.554 61.300 -0.008 0.000 1.124 718 I CB 2.016 40.012 38.000 -0.007 0.000 1.289 718 I HN 0.554 nan 8.210 nan 0.000 0.441 719 A N 7.004 129.823 122.820 -0.002 0.000 2.313 719 A HA 0.920 5.238 4.320 -0.003 0.000 0.323 719 A C -0.444 177.145 177.584 0.008 0.000 1.133 719 A CA -0.756 51.284 52.037 0.004 0.000 0.847 719 A CB 1.388 20.389 19.000 0.001 0.000 1.308 719 A HN 0.579 nan 8.150 nan 0.000 0.475 720 M N 0.737 120.344 119.600 0.013 0.000 2.409 720 M HA 0.316 4.794 4.480 -0.003 0.000 0.329 720 M C 1.494 177.802 176.300 0.012 0.000 1.180 720 M CA -0.491 54.818 55.300 0.015 0.000 1.053 720 M CB 0.563 33.175 32.600 0.021 0.000 1.586 720 M HN 0.877 nan 8.290 nan 0.000 0.461 721 G N 0.580 109.386 108.800 0.011 0.000 2.443 721 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.219 721 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.219 721 G C 1.100 176.008 174.900 0.013 0.000 1.131 721 G CA 1.043 46.148 45.100 0.009 0.000 0.775 721 G HN 0.742 nan 8.290 nan 0.000 0.547 722 S N -0.040 115.669 115.700 0.015 0.000 2.634 722 S HA 0.450 4.918 4.470 -0.003 0.000 0.221 722 S C 1.203 175.814 174.600 0.018 0.000 0.952 722 S CA 0.094 58.303 58.200 0.016 0.000 0.930 722 S CB 0.396 63.606 63.200 0.017 0.000 0.780 722 S HN 0.421 nan 8.310 nan 0.000 0.498 723 G N 1.812 110.623 108.800 0.019 0.000 2.588 723 G HA2 0.449 4.407 3.960 -0.003 0.000 0.281 723 G HA3 0.449 4.407 3.960 -0.003 0.000 0.281 723 G C 0.228 175.147 174.900 0.031 0.000 1.236 723 G CA -0.121 44.992 45.100 0.022 0.000 0.969 723 G HN 0.473 nan 8.290 nan 0.000 0.504 724 T N -2.786 111.793 114.554 0.041 0.000 2.734 724 T HA 0.376 4.724 4.350 -0.003 0.000 0.314 724 T C 1.701 176.448 174.700 0.078 0.000 1.057 724 T CA 0.515 62.659 62.100 0.074 0.000 1.047 724 T CB 1.042 69.970 68.868 0.100 0.000 0.991 724 T HN 0.901 nan 8.240 nan 0.000 0.540 725 A N 0.851 123.740 122.820 0.115 0.000 1.897 725 A HA 0.081 4.399 4.320 -0.003 0.000 0.215 725 A C 2.452 180.050 177.584 0.023 0.000 1.181 725 A CA 1.424 53.497 52.037 0.060 0.000 0.620 725 A CB -1.117 17.916 19.000 0.055 0.000 0.821 725 A HN 0.771 nan 8.150 nan 0.000 0.443 726 V N 0.076 120.019 119.914 0.048 0.000 2.427 726 V HA -0.212 3.906 4.120 -0.003 0.000 0.248 726 V C 2.984 179.086 176.094 0.014 0.000 1.051 726 V CA 1.684 63.983 62.300 -0.001 0.000 1.048 726 V CB -1.453 30.393 31.823 0.038 0.000 0.666 726 V HN 0.593 nan 8.190 nan 0.000 0.456 727 A N 0.562 123.404 122.820 0.037 0.000 1.851 727 A HA -0.266 4.052 4.320 -0.003 0.000 0.216 727 A C 2.313 179.899 177.584 0.003 0.000 1.195 727 A CA 2.231 54.279 52.037 0.019 0.000 0.622 727 A CB -0.517 18.497 19.000 0.023 0.000 0.831 727 A HN 0.547 nan 8.150 nan 0.000 0.444 728 K N -0.570 119.832 120.400 0.004 0.000 2.044 728 K HA -0.161 4.157 4.320 -0.003 0.000 0.210 728 K C 2.079 178.668 176.600 -0.019 0.000 1.049 728 K CA 1.955 58.238 56.287 -0.007 0.000 0.927 728 K CB -0.760 31.738 32.500 -0.004 0.000 0.713 728 K HN 0.741 nan 8.250 nan 0.000 0.443 729 T N -1.182 113.357 114.554 -0.024 0.000 3.051 729 T HA 0.043 4.391 4.350 -0.003 0.000 0.269 729 T C 1.780 176.459 174.700 -0.036 0.000 1.127 729 T CA 0.906 62.985 62.100 -0.036 0.000 1.107 729 T CB 0.020 68.858 68.868 -0.049 0.000 0.898 729 T HN 0.206 nan 8.240 nan 0.000 0.517 730 A N 1.326 124.129 122.820 -0.028 0.000 2.252 730 A HA 0.479 4.797 4.320 -0.003 0.000 0.213 730 A C 1.445 179.013 177.584 -0.026 0.000 1.188 730 A CA 0.080 52.101 52.037 -0.027 0.000 0.863 730 A CB -0.008 18.980 19.000 -0.020 0.000 0.893 730 A HN 0.614 nan 8.150 nan 0.000 0.495 731 S N -0.855 114.830 115.700 -0.025 0.000 2.654 731 S HA 0.504 4.972 4.470 -0.003 0.000 0.283 731 S C 0.262 174.842 174.600 -0.033 0.000 1.180 731 S CA -0.313 57.871 58.200 -0.026 0.000 1.021 731 S CB 1.526 64.715 63.200 -0.019 0.000 1.018 731 S HN 0.142 nan 8.310 nan 0.000 0.532 732 E N 0.370 120.549 120.200 -0.035 0.000 2.170 732 E HA 0.251 4.599 4.350 -0.003 0.000 0.191 732 E C 0.367 176.942 176.600 -0.042 0.000 0.981 732 E CA 0.651 57.026 56.400 -0.042 0.000 0.830 732 E CB 0.132 29.807 29.700 -0.042 0.000 0.775 732 E HN 0.738 nan 8.360 nan 0.000 0.470 733 M N 0.170 119.748 119.600 -0.036 0.000 2.433 733 M HA 0.405 4.883 4.480 -0.003 0.000 0.290 733 M C -1.761 174.523 176.300 -0.027 0.000 1.173 733 M CA -0.777 54.502 55.300 -0.035 0.000 0.905 733 M CB 1.904 34.480 32.600 -0.039 0.000 1.692 733 M HN -0.282 nan 8.290 nan 0.000 0.462 734 V N 5.063 124.963 119.914 -0.024 0.000 2.513 734 V HA 0.412 4.530 4.120 -0.003 0.000 0.299 734 V C -0.290 175.795 176.094 -0.015 0.000 1.035 734 V CA -0.693 61.597 62.300 -0.016 0.000 0.889 734 V CB 1.820 33.635 31.823 -0.013 0.000 0.988 734 V HN 0.810 nan 8.190 nan 0.000 0.440 735 L N 4.329 125.547 121.223 -0.009 0.000 2.375 735 L HA 0.284 4.622 4.340 -0.003 0.000 0.276 735 L C 1.750 178.620 176.870 -0.001 0.000 1.162 735 L CA -0.247 54.589 54.840 -0.007 0.000 0.991 735 L CB 0.702 42.761 42.059 0.001 0.000 1.315 735 L HN 0.898 nan 8.230 nan 0.000 0.431 736 A N 1.909 124.727 122.820 -0.003 0.000 2.204 736 A HA -0.205 4.114 4.320 -0.003 0.000 0.220 736 A C 1.390 178.977 177.584 0.005 0.000 1.165 736 A CA 2.000 54.037 52.037 0.001 0.000 0.671 736 A CB -0.399 18.600 19.000 -0.001 0.000 0.792 736 A HN 0.849 nan 8.150 nan 0.000 0.473 737 D N -3.563 116.841 120.400 0.007 0.000 2.525 737 D HA 0.084 4.722 4.640 -0.003 0.000 0.231 737 D C -0.407 175.906 176.300 0.021 0.000 1.216 737 D CA 0.505 54.513 54.000 0.013 0.000 0.813 737 D CB -0.280 40.527 40.800 0.012 0.000 1.108 737 D HN 0.209 nan 8.370 nan 0.000 0.524 738 D N 0.618 121.031 120.400 0.022 0.000 3.059 738 D HA -0.209 4.429 4.640 -0.003 0.000 0.220 738 D C -0.259 176.072 176.300 0.052 0.000 1.169 738 D CA 0.709 54.729 54.000 0.033 0.000 0.902 738 D CB -2.181 38.638 40.800 0.032 0.000 1.116 738 D HN 0.543 nan 8.370 nan 0.000 0.417 739 N N -0.536 118.193 118.700 0.049 0.000 2.426 739 N HA 0.259 4.997 4.740 -0.003 0.000 0.275 739 N C 1.047 176.620 175.510 0.105 0.000 1.019 739 N CA -0.557 52.539 53.050 0.077 0.000 0.941 739 N CB 0.473 38.992 38.487 0.052 0.000 1.123 739 N HN -0.102 nan 8.380 nan 0.000 0.486 740 F N 3.128 123.074 119.950 -0.006 0.000 2.147 740 F HA -0.234 4.291 4.527 -0.003 0.000 0.301 740 F C 2.055 177.851 175.800 -0.007 0.000 1.084 740 F CA 1.633 59.628 58.000 -0.007 0.000 1.268 740 F CB -0.071 38.923 39.000 -0.010 0.000 1.009 740 F HN 0.472 nan 8.300 nan 0.000 0.486 741 S N -0.850 114.886 115.700 0.061 0.000 2.423 741 S HA -0.170 4.298 4.470 -0.003 0.000 0.231 741 S C 1.901 176.436 174.600 -0.108 0.000 1.014 741 S CA 1.472 59.647 58.200 -0.041 0.000 0.965 741 S CB -0.597 62.631 63.200 0.046 0.000 0.785 741 S HN 0.474 nan 8.310 nan 0.000 0.495 742 T N 2.676 117.183 114.554 -0.080 0.000 2.833 742 T HA 0.056 4.404 4.350 -0.003 0.000 0.269 742 T C 1.668 176.290 174.700 -0.129 0.000 1.054 742 T CA 0.833 62.887 62.100 -0.076 0.000 1.135 742 T CB -0.343 68.498 68.868 -0.044 0.000 0.869 742 T HN 0.347 nan 8.240 nan 0.000 0.466 743 I N 0.813 121.253 120.570 -0.216 0.000 2.127 743 I HA -0.181 3.987 4.170 -0.003 0.000 0.241 743 I C 2.468 178.431 176.117 -0.257 0.000 1.075 743 I CA 1.123 62.266 61.300 -0.261 0.000 1.334 743 I CB -0.607 37.140 38.000 -0.422 0.000 1.040 743 I HN 0.091 nan 8.210 nan 0.000 0.405 744 V N 1.281 120.989 119.914 -0.343 0.000 2.332 744 V HA -0.334 3.784 4.120 -0.003 0.000 0.248 744 V C 2.767 178.786 176.094 -0.125 0.000 1.055 744 V CA 2.046 64.209 62.300 -0.228 0.000 1.038 744 V CB -1.227 30.475 31.823 -0.202 0.000 0.651 744 V HN 0.529 nan 8.190 nan 0.000 0.450 745 A N 0.025 122.782 122.820 -0.104 0.000 1.940 745 A HA -0.167 4.152 4.320 -0.003 0.000 0.219 745 A C 2.411 179.962 177.584 -0.056 0.000 1.176 745 A CA 2.304 54.304 52.037 -0.061 0.000 0.631 745 A CB -0.742 18.230 19.000 -0.047 0.000 0.814 745 A HN 0.611 nan 8.150 nan 0.000 0.446 746 A N -0.663 122.114 122.820 -0.071 0.000 1.930 746 A HA 0.074 4.392 4.320 -0.003 0.000 0.217 746 A C 2.204 179.757 177.584 -0.053 0.000 1.175 746 A CA 1.581 53.584 52.037 -0.057 0.000 0.627 746 A CB -0.834 18.128 19.000 -0.064 0.000 0.815 746 A HN 0.395 nan 8.150 nan 0.000 0.443 747 V N 0.188 120.061 119.914 -0.069 0.000 2.295 747 V HA -0.303 3.815 4.120 -0.003 0.000 0.246 747 V C 2.510 178.584 176.094 -0.034 0.000 1.049 747 V CA 2.382 64.649 62.300 -0.056 0.000 1.024 747 V CB -0.833 30.949 31.823 -0.068 0.000 0.648 747 V HN 0.784 nan 8.190 nan 0.000 0.447 748 E N 0.356 120.537 120.200 -0.033 0.000 2.038 748 E HA -0.328 4.021 4.350 -0.003 0.000 0.195 748 E C 2.202 178.798 176.600 -0.007 0.000 1.000 748 E CA 1.792 58.183 56.400 -0.016 0.000 0.803 748 E CB -0.155 29.535 29.700 -0.016 0.000 0.750 748 E HN 0.587 nan 8.360 nan 0.000 0.448 749 E N -0.355 119.838 120.200 -0.012 0.000 2.209 749 E HA -0.119 4.230 4.350 -0.003 0.000 0.196 749 E C 1.685 178.285 176.600 0.001 0.000 0.993 749 E CA 1.465 57.862 56.400 -0.004 0.000 0.819 749 E CB -0.478 29.217 29.700 -0.009 0.000 0.745 749 E HN 0.376 nan 8.360 nan 0.000 0.477 750 G N -0.367 108.430 108.800 -0.004 0.000 2.494 750 G HA2 -0.160 3.799 3.960 -0.003 0.000 0.216 750 G HA3 -0.160 3.799 3.960 -0.003 0.000 0.216 750 G C 1.613 176.534 174.900 0.034 0.000 1.140 750 G CA 0.253 45.356 45.100 0.004 0.000 0.801 750 G HN 0.139 nan 8.290 nan 0.000 0.536 751 R N 0.386 120.904 120.500 0.030 0.000 2.092 751 R HA 0.053 4.392 4.340 -0.003 0.000 0.231 751 R C 2.976 179.308 176.300 0.054 0.000 1.119 751 R CA 1.017 57.152 56.100 0.059 0.000 0.970 751 R CB -0.256 30.065 30.300 0.035 0.000 0.864 751 R HN 0.340 nan 8.270 nan 0.000 0.440 752 A N 1.923 124.756 122.820 0.023 0.000 1.834 752 A HA -0.182 4.137 4.320 -0.003 0.000 0.216 752 A C 2.021 179.599 177.584 -0.011 0.000 1.203 752 A CA 1.360 53.398 52.037 0.003 0.000 0.621 752 A CB -0.583 18.420 19.000 0.006 0.000 0.841 752 A HN 0.098 nan 8.150 nan 0.000 0.446 753 I N -1.083 119.489 120.570 0.003 0.000 2.121 753 I HA -0.319 3.849 4.170 -0.003 0.000 0.243 753 I C 2.449 178.559 176.117 -0.011 0.000 1.047 753 I CA 2.346 63.644 61.300 -0.003 0.000 1.308 753 I CB -1.936 36.075 38.000 0.020 0.000 1.015 753 I HN 0.596 nan 8.210 nan 0.000 0.410 754 Y N 2.577 122.821 120.300 -0.092 0.000 2.181 754 Y HA -0.216 4.332 4.550 -0.003 0.000 0.288 754 Y C 2.478 178.286 175.900 -0.152 0.000 1.146 754 Y CA 1.694 59.723 58.100 -0.119 0.000 1.164 754 Y CB -0.594 37.816 38.460 -0.084 0.000 0.982 754 Y HN 0.219 nan 8.280 nan 0.000 0.515 755 N N 0.744 119.277 118.700 -0.278 0.000 2.069 755 N HA -0.198 4.540 4.740 -0.003 0.000 0.191 755 N C 1.385 176.682 175.510 -0.355 0.000 1.031 755 N CA 1.626 54.462 53.050 -0.356 0.000 0.852 755 N CB -0.630 37.762 38.487 -0.159 0.000 1.018 755 N HN 0.424 nan 8.380 nan 0.000 0.423 756 N N 0.772 119.317 118.700 -0.260 0.000 2.166 756 N HA -0.009 4.730 4.740 -0.003 0.000 0.186 756 N C 1.787 176.970 175.510 -0.546 0.000 1.019 756 N CA 0.709 53.602 53.050 -0.262 0.000 0.856 756 N CB -0.241 38.166 38.487 -0.135 0.000 0.993 756 N HN 0.332 nan 8.380 nan 0.000 0.426 757 M N 0.651 119.846 119.600 -0.675 0.000 2.159 757 M HA -0.146 4.332 4.480 -0.003 0.000 0.263 757 M C 1.972 177.547 176.300 -1.208 0.000 1.063 757 M CA 1.258 55.761 55.300 -1.328 0.000 1.110 757 M CB -0.293 31.957 32.600 -0.584 0.000 1.374 757 M HN 0.167 nan 8.290 nan 0.000 0.411 758 K N -0.092 119.834 120.400 -0.790 0.000 2.365 758 K HA -0.188 4.130 4.320 -0.003 0.000 0.199 758 K C 1.870 178.204 176.600 -0.443 0.000 1.045 758 K CA 1.174 57.096 56.287 -0.609 0.000 0.962 758 K CB 0.056 32.143 32.500 -0.688 0.000 0.759 758 K HN 0.121 nan 8.250 nan 0.000 0.469 759 Q N 0.912 120.448 119.800 -0.440 0.000 2.008 759 Q HA -0.076 4.262 4.340 -0.003 0.000 0.196 759 Q C 1.874 177.784 176.000 -0.151 0.000 0.973 759 Q CA 1.883 57.548 55.803 -0.230 0.000 0.826 759 Q CB -0.466 28.172 28.738 -0.166 0.000 0.894 759 Q HN 0.524 nan 8.270 nan 0.000 0.439 760 F N -0.961 118.920 119.950 -0.115 0.000 2.293 760 F HA 0.039 4.565 4.527 -0.003 0.000 0.300 760 F C 1.739 177.506 175.800 -0.054 0.000 1.086 760 F CA 0.488 58.451 58.000 -0.062 0.000 1.375 760 F CB -0.896 38.045 39.000 -0.098 0.000 1.045 760 F HN 0.041 nan 8.300 nan 0.000 0.516 761 I N 0.994 121.533 120.570 -0.051 0.000 2.142 761 I HA -0.278 3.891 4.170 -0.003 0.000 0.240 761 I C 2.717 178.741 176.117 -0.154 0.000 1.078 761 I CA 1.483 62.752 61.300 -0.051 0.000 1.343 761 I CB -0.416 37.438 38.000 -0.242 0.000 1.046 761 I HN 0.115 nan 8.210 nan 0.000 0.405 762 R N -0.268 120.072 120.500 -0.266 0.000 2.081 762 R HA -0.237 4.101 4.340 -0.003 0.000 0.235 762 R C 2.325 178.355 176.300 -0.451 0.000 1.131 762 R CA 1.683 57.465 56.100 -0.531 0.000 0.960 762 R CB -0.943 28.866 30.300 -0.818 0.000 0.856 762 R HN 0.356 nan 8.270 nan 0.000 0.436 763 Y N 2.328 122.451 120.300 -0.296 0.000 1.993 763 Y HA -0.295 4.253 4.550 -0.003 0.000 0.267 763 Y C 2.143 177.958 175.900 -0.141 0.000 1.155 763 Y CA 1.662 59.667 58.100 -0.158 0.000 1.105 763 Y CB -0.723 37.712 38.460 -0.041 0.000 0.960 763 Y HN -0.092 nan 8.280 nan 0.000 0.486 764 L N -0.187 120.932 121.223 -0.173 0.000 1.955 764 L HA -0.287 4.051 4.340 -0.003 0.000 0.213 764 L C 2.585 179.308 176.870 -0.246 0.000 1.072 764 L CA 2.107 56.784 54.840 -0.272 0.000 0.755 764 L CB -0.914 41.092 42.059 -0.089 0.000 0.888 764 L HN 0.311 nan 8.230 nan 0.000 0.432 765 I N -0.487 119.962 120.570 -0.202 0.000 2.300 765 I HA -0.330 3.838 4.170 -0.003 0.000 0.252 765 I C 2.625 178.647 176.117 -0.159 0.000 1.119 765 I CA 1.225 62.433 61.300 -0.152 0.000 1.384 765 I CB -0.402 37.509 38.000 -0.149 0.000 1.062 765 I HN 0.234 nan 8.210 nan 0.000 0.426 766 S N -0.006 115.548 115.700 -0.243 0.000 2.368 766 S HA -0.202 4.266 4.470 -0.003 0.000 0.225 766 S C 2.186 176.687 174.600 -0.164 0.000 1.030 766 S CA 1.700 59.787 58.200 -0.187 0.000 0.999 766 S CB -0.292 62.801 63.200 -0.177 0.000 0.844 766 S HN 0.540 nan 8.310 nan 0.000 0.459 767 S N 1.832 117.386 115.700 -0.243 0.000 2.383 767 S HA -0.153 4.315 4.470 -0.003 0.000 0.229 767 S C 1.534 176.052 174.600 -0.137 0.000 1.030 767 S CA 1.612 59.678 58.200 -0.223 0.000 1.002 767 S CB -0.517 62.484 63.200 -0.331 0.000 0.829 767 S HN 0.579 nan 8.310 nan 0.000 0.467 768 N N 0.243 118.873 118.700 -0.116 0.000 2.216 768 N HA -0.015 4.723 4.740 -0.003 0.000 0.183 768 N C 1.659 177.141 175.510 -0.047 0.000 1.017 768 N CA 1.313 54.326 53.050 -0.062 0.000 0.861 768 N CB -0.223 38.247 38.487 -0.029 0.000 0.986 768 N HN 0.221 nan 8.380 nan 0.000 0.428 769 V N 0.524 120.403 119.914 -0.058 0.000 2.343 769 V HA -0.159 3.960 4.120 -0.003 0.000 0.247 769 V C 2.385 178.452 176.094 -0.045 0.000 1.051 769 V CA 2.070 64.338 62.300 -0.054 0.000 1.036 769 V CB -1.258 30.517 31.823 -0.081 0.000 0.654 769 V HN 0.435 nan 8.190 nan 0.000 0.451 770 G N -0.505 108.263 108.800 -0.054 0.000 2.442 770 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.219 770 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.219 770 G C 1.478 176.358 174.900 -0.034 0.000 1.141 770 G CA 0.912 45.984 45.100 -0.047 0.000 0.763 770 G HN 0.583 nan 8.290 nan 0.000 0.554 771 E N -0.265 119.914 120.200 -0.034 0.000 2.107 771 E HA -0.028 4.320 4.350 -0.003 0.000 0.191 771 E C 2.678 179.283 176.600 0.007 0.000 0.982 771 E CA 0.613 57.003 56.400 -0.016 0.000 0.809 771 E CB -0.019 29.670 29.700 -0.019 0.000 0.756 771 E HN 0.296 nan 8.360 nan 0.000 0.459 772 V N 0.762 120.679 119.914 0.005 0.000 2.515 772 V HA -0.182 3.936 4.120 -0.003 0.000 0.250 772 V C 2.181 178.316 176.094 0.067 0.000 1.058 772 V CA 1.070 63.384 62.300 0.023 0.000 1.064 772 V CB -0.068 31.751 31.823 -0.008 0.000 0.675 772 V HN 0.137 nan 8.190 nan 0.000 0.461 773 V N -1.071 118.873 119.914 0.051 0.000 2.453 773 V HA -0.257 3.862 4.120 -0.003 0.000 0.247 773 V C 2.499 178.650 176.094 0.094 0.000 1.048 773 V CA 1.973 64.327 62.300 0.091 0.000 1.049 773 V CB -0.433 31.417 31.823 0.045 0.000 0.672 773 V HN 0.773 nan 8.190 nan 0.000 0.457 774 C N 0.028 119.356 119.300 0.048 0.000 2.432 774 C HA -0.128 4.331 4.460 -0.003 0.000 0.277 774 C C 2.537 177.559 174.990 0.055 0.000 1.249 774 C CA 0.761 59.800 59.018 0.034 0.000 1.725 774 C CB -0.865 26.879 27.740 0.007 0.000 2.028 774 C HN 0.479 nan 8.230 nan 0.000 0.477 775 I N 0.252 120.865 120.570 0.071 0.000 2.094 775 I HA -0.053 4.115 4.170 -0.003 0.000 0.234 775 I C 2.340 178.521 176.117 0.107 0.000 1.063 775 I CA 1.584 62.930 61.300 0.077 0.000 1.328 775 I CB -2.043 36.001 38.000 0.073 0.000 1.058 775 I HN 0.292 nan 8.210 nan 0.000 0.400 776 F N 1.632 121.579 119.950 -0.004 0.000 2.176 776 F HA -0.257 4.268 4.527 -0.003 0.000 0.301 776 F C 2.341 178.149 175.800 0.014 0.000 1.071 776 F CA 1.520 59.519 58.000 -0.002 0.000 1.289 776 F CB -0.364 38.633 39.000 -0.004 0.000 1.028 776 F HN -0.033 nan 8.300 nan 0.000 0.494 777 L N -1.294 119.928 121.223 -0.001 0.000 2.007 777 L HA -0.193 4.145 4.340 -0.003 0.000 0.205 777 L C 2.494 179.315 176.870 -0.081 0.000 1.073 777 L CA 1.849 56.646 54.840 -0.072 0.000 0.744 777 L CB -1.171 40.897 42.059 0.015 0.000 0.898 777 L HN 0.074 nan 8.230 nan 0.000 0.435 778 T N -0.808 113.738 114.554 -0.013 0.000 3.052 778 T HA -0.113 4.236 4.350 -0.003 0.000 0.270 778 T C 1.403 176.119 174.700 0.027 0.000 1.147 778 T CA 1.217 63.329 62.100 0.019 0.000 1.089 778 T CB 0.060 68.963 68.868 0.058 0.000 0.875 778 T HN 0.432 nan 8.240 nan 0.000 0.541 779 A N -0.189 122.601 122.820 -0.049 0.000 1.993 779 A HA 0.689 5.007 4.320 -0.003 0.000 0.207 779 A C 2.446 179.936 177.584 -0.157 0.000 1.224 779 A CA 0.811 52.825 52.037 -0.037 0.000 0.749 779 A CB -0.670 18.275 19.000 -0.093 0.000 0.884 779 A HN 0.527 nan 8.150 nan 0.000 0.467 780 A N -0.537 122.068 122.820 -0.358 0.000 2.167 780 A HA 0.332 4.650 4.320 -0.003 0.000 0.214 780 A C 1.397 178.884 177.584 -0.161 0.000 1.151 780 A CA 0.719 52.540 52.037 -0.360 0.000 0.735 780 A CB -0.342 18.300 19.000 -0.596 0.000 0.802 780 A HN 0.400 nan 8.150 nan 0.000 0.467 781 L N -1.295 119.865 121.223 -0.104 0.000 3.066 781 L HA 0.281 4.619 4.340 -0.003 0.000 0.265 781 L C 1.425 178.288 176.870 -0.012 0.000 1.232 781 L CA 0.174 54.991 54.840 -0.038 0.000 1.031 781 L CB -0.073 41.974 42.059 -0.020 0.000 1.379 781 L HN 0.417 nan 8.230 nan 0.000 0.563 782 G N 1.286 110.082 108.800 -0.006 0.000 2.352 782 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.295 782 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.295 782 G C 0.430 175.320 174.900 -0.017 0.000 0.991 782 G CA 0.577 45.680 45.100 0.005 0.000 0.796 782 G HN 0.337 nan 8.290 nan 0.000 0.511 783 L N -0.118 121.097 121.223 -0.013 0.000 2.466 783 L HA 0.382 4.720 4.340 -0.003 0.000 0.257 783 L C -1.599 175.256 176.870 -0.025 0.000 1.189 783 L CA -2.111 52.695 54.840 -0.057 0.000 0.813 783 L CB 0.432 42.478 42.059 -0.023 0.000 1.118 783 L HN -0.101 nan 8.230 nan 0.000 0.471 784 P HA 0.081 nan 4.420 nan 0.000 0.275 784 P C -1.098 176.265 177.300 0.104 0.000 1.228 784 P CA -0.461 62.644 63.100 0.009 0.000 0.786 784 P CB 0.397 32.051 31.700 -0.076 0.000 0.927 785 E N 1.140 121.428 120.200 0.146 0.000 2.558 785 E HA 0.005 4.353 4.350 -0.003 0.000 0.255 785 E C 0.808 177.473 176.600 0.107 0.000 0.968 785 E CA 0.050 56.528 56.400 0.130 0.000 0.939 785 E CB 0.386 30.165 29.700 0.132 0.000 0.921 785 E HN 0.437 nan 8.360 nan 0.000 0.477 786 A N 4.745 127.614 122.820 0.082 0.000 1.943 786 A HA 0.104 4.422 4.320 -0.003 0.000 0.213 786 A C 0.633 178.229 177.584 0.019 0.000 1.181 786 A CA 0.567 52.635 52.037 0.053 0.000 0.653 786 A CB 0.322 19.348 19.000 0.044 0.000 0.833 786 A HN 0.488 nan 8.150 nan 0.000 0.451 787 L N 0.626 121.866 121.223 0.030 0.000 2.408 787 L HA 0.561 4.899 4.340 -0.003 0.000 0.268 787 L C -0.701 176.196 176.870 0.046 0.000 0.986 787 L CA -0.786 54.068 54.840 0.024 0.000 0.820 787 L CB 2.124 44.191 42.059 0.014 0.000 1.303 787 L HN 0.431 nan 8.230 nan 0.000 0.411 788 I N -0.456 120.148 120.570 0.057 0.000 2.750 788 I HA 0.531 4.699 4.170 -0.003 0.000 0.308 788 I C -1.754 174.418 176.117 0.092 0.000 1.016 788 I CA -2.136 59.208 61.300 0.073 0.000 1.098 788 I CB 1.658 39.704 38.000 0.076 0.000 1.279 788 I HN 0.352 nan 8.210 nan 0.000 0.454 789 P HA -0.210 nan 4.420 nan 0.000 0.215 789 P C 1.706 179.100 177.300 0.158 0.000 1.163 789 P CA 1.668 64.832 63.100 0.107 0.000 0.894 789 P CB -0.036 31.721 31.700 0.096 0.000 0.791 790 V N 0.513 120.536 119.914 0.181 0.000 2.380 790 V HA -0.273 3.845 4.120 -0.003 0.000 0.251 790 V C 2.865 179.222 176.094 0.438 0.000 1.063 790 V CA 2.109 64.577 62.300 0.280 0.000 1.055 790 V CB -1.622 30.318 31.823 0.195 0.000 0.657 790 V HN 0.186 nan 8.190 nan 0.000 0.455 791 Q N -0.285 119.698 119.800 0.305 0.000 1.994 791 Q HA -0.055 4.284 4.340 -0.003 0.000 0.198 791 Q C 2.396 178.492 176.000 0.159 0.000 0.976 791 Q CA 1.365 57.281 55.803 0.189 0.000 0.828 791 Q CB -0.310 28.481 28.738 0.090 0.000 0.894 791 Q HN 0.493 nan 8.270 nan 0.000 0.432 792 L N 0.781 122.078 121.223 0.123 0.000 2.021 792 L HA -0.280 4.059 4.340 -0.003 0.000 0.215 792 L C 2.457 179.393 176.870 0.109 0.000 1.074 792 L CA 1.225 56.118 54.840 0.088 0.000 0.760 792 L CB -0.656 41.441 42.059 0.065 0.000 0.889 792 L HN 0.285 nan 8.230 nan 0.000 0.433 793 L N -1.126 120.190 121.223 0.155 0.000 1.970 793 L HA -0.311 4.028 4.340 -0.003 0.000 0.212 793 L C 2.506 179.483 176.870 0.178 0.000 1.071 793 L CA 1.806 56.738 54.840 0.154 0.000 0.751 793 L CB -0.854 41.321 42.059 0.193 0.000 0.889 793 L HN 0.562 nan 8.230 nan 0.000 0.432 794 W N 0.582 121.930 121.300 0.081 0.000 2.341 794 W HA -0.190 4.469 4.660 -0.003 0.000 0.283 794 W C 1.865 178.365 176.519 -0.032 0.000 1.215 794 W CA 1.638 58.998 57.345 0.025 0.000 1.211 794 W CB -0.151 29.233 29.460 -0.126 0.000 1.131 794 W HN -0.008 nan 8.180 nan 0.000 0.552 795 V N 1.802 121.798 119.914 0.137 0.000 2.249 795 V HA -0.291 3.827 4.120 -0.003 0.000 0.239 795 V C 2.154 178.209 176.094 -0.065 0.000 1.038 795 V CA 2.095 64.413 62.300 0.031 0.000 1.005 795 V CB -1.228 30.620 31.823 0.042 0.000 0.646 795 V HN 0.023 nan 8.190 nan 0.000 0.455 796 N N 0.037 118.713 118.700 -0.041 0.000 2.588 796 N HA -0.122 4.616 4.740 -0.003 0.000 0.190 796 N C 1.267 176.724 175.510 -0.089 0.000 1.094 796 N CA 1.014 54.024 53.050 -0.067 0.000 0.921 796 N CB 0.004 38.465 38.487 -0.043 0.000 0.959 796 N HN 0.306 nan 8.380 nan 0.000 0.448 797 L N -0.846 120.305 121.223 -0.120 0.000 2.453 797 L HA 0.118 4.456 4.340 -0.003 0.000 0.190 797 L C 1.794 178.516 176.870 -0.248 0.000 1.093 797 L CA 0.594 55.341 54.840 -0.156 0.000 0.834 797 L CB -0.184 41.801 42.059 -0.123 0.000 1.090 797 L HN -0.191 nan 8.230 nan 0.000 0.489 798 V N -2.293 117.366 119.914 -0.424 0.000 2.693 798 V HA -0.025 4.094 4.120 -0.003 0.000 0.223 798 V C 2.163 178.050 176.094 -0.345 0.000 1.131 798 V CA 1.351 63.328 62.300 -0.538 0.000 1.177 798 V CB -1.187 29.928 31.823 -1.181 0.000 0.852 798 V HN 0.337 nan 8.190 nan 0.000 0.507 799 T N 1.221 115.558 114.554 -0.361 0.000 2.572 799 T HA -0.345 4.003 4.350 -0.003 0.000 0.258 799 T C 1.463 176.146 174.700 -0.028 0.000 1.154 799 T CA 2.675 64.722 62.100 -0.087 0.000 1.157 799 T CB -0.675 68.200 68.868 0.012 0.000 0.856 799 T HN 0.516 nan 8.240 nan 0.000 0.443 800 D N 0.518 120.897 120.400 -0.036 0.000 2.277 800 D HA 0.148 4.787 4.640 -0.003 0.000 0.208 800 D C 2.187 178.514 176.300 0.045 0.000 0.962 800 D CA 0.813 54.843 54.000 0.049 0.000 0.865 800 D CB -0.730 40.037 40.800 -0.055 0.000 0.939 800 D HN 0.483 nan 8.370 nan 0.000 0.510 801 G N 1.130 109.887 108.800 -0.071 0.000 2.511 801 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.216 801 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.216 801 G C 1.432 176.275 174.900 -0.094 0.000 1.218 801 G CA 0.388 45.422 45.100 -0.109 0.000 0.788 801 G HN 0.128 nan 8.290 nan 0.000 0.560 802 L N 1.667 122.848 121.223 -0.070 0.000 1.971 802 L HA -0.077 4.261 4.340 -0.003 0.000 0.215 802 L C 0.537 177.389 176.870 -0.030 0.000 1.072 802 L CA 2.091 56.911 54.840 -0.033 0.000 0.758 802 L CB -2.408 39.656 42.059 0.009 0.000 0.889 802 L HN 0.187 nan 8.230 nan 0.000 0.433 803 P HA -0.142 nan 4.420 nan 0.000 0.216 803 P C 1.717 178.902 177.300 -0.193 0.000 1.153 803 P CA 1.961 65.011 63.100 -0.084 0.000 0.858 803 P CB -0.036 31.617 31.700 -0.078 0.000 0.789 804 A N -1.008 121.724 122.820 -0.147 0.000 1.908 804 A HA -0.220 4.098 4.320 -0.003 0.000 0.218 804 A C 2.257 179.632 177.584 -0.348 0.000 1.181 804 A CA 2.568 54.488 52.037 -0.194 0.000 0.627 804 A CB -1.923 17.001 19.000 -0.126 0.000 0.818 804 A HN 0.169 nan 8.150 nan 0.000 0.445 805 T N 0.105 114.471 114.554 -0.313 0.000 2.777 805 T HA 0.035 4.383 4.350 -0.003 0.000 0.266 805 T C 2.252 176.756 174.700 -0.328 0.000 1.040 805 T CA 1.455 63.345 62.100 -0.350 0.000 1.141 805 T CB -0.479 68.257 68.868 -0.220 0.000 0.868 805 T HN 0.620 nan 8.240 nan 0.000 0.444 806 A N 1.701 124.439 122.820 -0.136 0.000 1.917 806 A HA -0.071 4.247 4.320 -0.003 0.000 0.219 806 A C 2.188 179.714 177.584 -0.096 0.000 1.182 806 A CA 1.372 53.419 52.037 0.016 0.000 0.633 806 A CB -1.060 18.013 19.000 0.122 0.000 0.819 806 A HN 0.520 nan 8.150 nan 0.000 0.448 807 L N -0.333 120.815 121.223 -0.125 0.000 2.450 807 L HA -0.164 4.174 4.340 -0.003 0.000 0.225 807 L C 2.497 179.300 176.870 -0.113 0.000 1.145 807 L CA 0.557 55.351 54.840 -0.078 0.000 0.801 807 L CB -0.691 41.347 42.059 -0.035 0.000 0.924 807 L HN 0.519 nan 8.230 nan 0.000 0.447 808 G N -0.331 108.264 108.800 -0.342 0.000 2.471 808 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.219 808 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.219 808 G C 0.863 175.446 174.900 -0.528 0.000 1.125 808 G CA 0.146 44.953 45.100 -0.488 0.000 0.775 808 G HN 0.346 nan 8.290 nan 0.000 0.548 809 F N 0.638 120.559 119.950 -0.048 0.000 2.684 809 F HA 0.375 4.901 4.527 -0.003 0.000 0.298 809 F C 0.370 176.174 175.800 0.006 0.000 1.120 809 F CA -1.765 56.204 58.000 -0.052 0.000 1.332 809 F CB -0.536 38.397 39.000 -0.112 0.000 0.986 809 F HN -0.165 nan 8.300 nan 0.000 0.524 810 N N 3.930 122.679 118.700 0.082 0.000 2.483 810 N HA 0.065 4.803 4.740 -0.003 0.000 0.264 810 N C -2.347 173.196 175.510 0.054 0.000 1.197 810 N CA -1.471 51.614 53.050 0.057 0.000 0.927 810 N CB 0.230 38.717 38.487 -0.000 0.000 1.065 810 N HN -0.004 nan 8.380 nan 0.000 0.461 811 P HA 0.028 nan 4.420 nan 0.000 0.262 811 P C -2.356 174.957 177.300 0.023 0.000 1.182 811 P CA -0.655 62.473 63.100 0.047 0.000 0.761 811 P CB -0.124 31.601 31.700 0.042 0.000 0.795 812 P HA 0.147 nan 4.420 nan 0.000 0.272 812 P C -0.449 176.854 177.300 0.006 0.000 1.240 812 P CA -0.019 63.087 63.100 0.009 0.000 0.791 812 P CB 0.707 32.415 31.700 0.014 0.000 0.978 813 D N 0.725 121.125 120.400 -0.000 0.000 2.302 813 D HA 0.123 4.761 4.640 -0.003 0.000 0.248 813 D C 1.527 177.829 176.300 0.004 0.000 1.094 813 D CA -0.309 53.691 54.000 -0.000 0.000 0.897 813 D CB 0.992 41.790 40.800 -0.004 0.000 1.200 813 D HN 0.269 nan 8.370 nan 0.000 0.429 814 L N 0.979 122.204 121.223 0.004 0.000 2.217 814 L HA -0.114 4.224 4.340 -0.003 0.000 0.211 814 L C 1.346 178.219 176.870 0.004 0.000 1.107 814 L CA 0.899 55.743 54.840 0.006 0.000 0.783 814 L CB -0.181 41.882 42.059 0.006 0.000 0.919 814 L HN 0.403 nan 8.230 nan 0.000 0.442 815 D N -0.594 119.808 120.400 0.002 0.000 2.561 815 D HA -0.044 4.594 4.640 -0.003 0.000 0.232 815 D C 1.703 178.005 176.300 0.004 0.000 1.198 815 D CA -0.136 53.865 54.000 0.002 0.000 0.826 815 D CB 0.217 41.017 40.800 -0.000 0.000 0.992 815 D HN 0.103 nan 8.370 nan 0.000 0.490 816 I N 0.269 120.843 120.570 0.005 0.000 2.361 816 I HA -0.122 4.046 4.170 -0.003 0.000 0.251 816 I C 1.282 177.405 176.117 0.010 0.000 1.133 816 I CA 0.981 62.285 61.300 0.008 0.000 1.413 816 I CB -0.076 37.929 38.000 0.007 0.000 1.073 816 I HN 0.076 nan 8.210 nan 0.000 0.424 817 M N -0.809 118.795 119.600 0.007 0.000 2.333 817 M HA 0.096 4.575 4.480 -0.003 0.000 0.257 817 M C 0.196 176.500 176.300 0.007 0.000 1.078 817 M CA 0.428 55.731 55.300 0.006 0.000 1.005 817 M CB -0.730 31.872 32.600 0.003 0.000 1.444 817 M HN 0.046 nan 8.290 nan 0.000 0.496 818 D N 1.273 121.677 120.400 0.007 0.000 2.491 818 D HA 0.110 4.748 4.640 -0.003 0.000 0.228 818 D C 0.421 176.725 176.300 0.006 0.000 1.183 818 D CA -0.031 53.973 54.000 0.006 0.000 0.827 818 D CB 0.408 41.211 40.800 0.004 0.000 0.989 818 D HN 0.296 nan 8.370 nan 0.000 0.494 819 R N -0.221 120.284 120.500 0.009 0.000 2.673 819 R HA 0.499 4.837 4.340 -0.003 0.000 0.281 819 R C -3.058 173.250 176.300 0.013 0.000 0.991 819 R CA -1.767 54.339 56.100 0.011 0.000 0.896 819 R CB 1.329 31.637 30.300 0.013 0.000 1.201 819 R HN -0.255 nan 8.270 nan 0.000 0.457 820 P HA 0.029 nan 4.420 nan 0.000 0.271 820 P C -2.366 174.942 177.300 0.013 0.000 1.228 820 P CA -0.725 62.382 63.100 0.012 0.000 0.797 820 P CB -0.457 31.250 31.700 0.011 0.000 0.914 821 P HA 0.142 nan 4.420 nan 0.000 0.276 821 P C 0.127 177.428 177.300 0.002 0.000 1.235 821 P CA -0.029 63.071 63.100 0.001 0.000 0.772 821 P CB 0.221 31.919 31.700 -0.004 0.000 0.871 822 R N 3.313 123.812 120.500 -0.001 0.000 2.473 822 R HA 0.064 4.402 4.340 -0.003 0.000 0.315 822 R C 0.086 176.372 176.300 -0.023 0.000 0.972 822 R CA 0.197 56.299 56.100 0.002 0.000 1.047 822 R CB -0.010 30.288 30.300 -0.003 0.000 0.932 822 R HN 0.440 nan 8.270 nan 0.000 0.411 823 S N 5.006 120.706 115.700 -0.000 0.000 2.537 823 S HA 0.123 4.592 4.470 -0.003 0.000 0.286 823 S C -1.688 172.901 174.600 -0.019 0.000 1.299 823 S CA -1.263 56.935 58.200 -0.003 0.000 1.067 823 S CB 1.023 64.231 63.200 0.014 0.000 0.864 823 S HN 0.599 nan 8.310 nan 0.000 0.494 824 P HA 0.050 nan 4.420 nan 0.000 0.244 824 P C 0.489 177.780 177.300 -0.015 0.000 1.211 824 P CA 0.484 63.559 63.100 -0.042 0.000 0.760 824 P CB 0.144 31.821 31.700 -0.039 0.000 0.961 825 K N -0.734 119.667 120.400 0.003 0.000 2.335 825 K HA 0.054 4.372 4.320 -0.003 0.000 0.195 825 K C 0.811 177.429 176.600 0.029 0.000 1.058 825 K CA 0.187 56.484 56.287 0.016 0.000 0.988 825 K CB -0.305 32.206 32.500 0.018 0.000 0.880 825 K HN 0.300 nan 8.250 nan 0.000 0.513 826 E N 4.733 124.954 120.200 0.035 0.000 2.493 826 E HA -0.013 4.336 4.350 -0.003 0.000 0.255 826 E C -1.963 174.684 176.600 0.077 0.000 0.999 826 E CA -1.279 55.156 56.400 0.058 0.000 0.934 826 E CB 0.449 30.191 29.700 0.069 0.000 0.940 826 E HN -0.036 nan 8.360 nan 0.000 0.473 827 P HA -0.043 nan 4.420 nan 0.000 0.274 827 P C 0.222 177.595 177.300 0.122 0.000 1.260 827 P CA -0.256 62.904 63.100 0.100 0.000 0.793 827 P CB 0.825 32.583 31.700 0.095 0.000 1.048 828 L N 0.074 121.372 121.223 0.124 0.000 2.121 828 L HA 0.172 4.510 4.340 -0.003 0.000 0.200 828 L C 1.467 178.396 176.870 0.098 0.000 1.132 828 L CA 1.389 56.287 54.840 0.098 0.000 0.782 828 L CB -0.972 41.120 42.059 0.055 0.000 0.940 828 L HN 0.245 nan 8.230 nan 0.000 0.458 829 I N 0.922 121.569 120.570 0.128 0.000 2.361 829 I HA 0.298 4.467 4.170 -0.003 0.000 0.282 829 I C -0.765 175.511 176.117 0.265 0.000 1.075 829 I CA -0.149 61.257 61.300 0.177 0.000 1.205 829 I CB -0.170 37.905 38.000 0.125 0.000 1.406 829 I HN 0.237 nan 8.210 nan 0.000 0.481 830 S N 2.826 118.676 115.700 0.250 0.000 2.550 830 S HA 0.904 5.372 4.470 -0.003 0.000 0.270 830 S C 0.066 174.815 174.600 0.249 0.000 1.145 830 S CA -0.263 58.088 58.200 0.251 0.000 0.852 830 S CB 2.250 65.540 63.200 0.151 0.000 1.119 830 S HN 0.947 nan 8.310 nan 0.000 0.465 831 G N 2.302 111.252 108.800 0.251 0.000 2.596 831 G HA2 -0.322 3.637 3.960 -0.003 0.000 0.258 831 G HA3 -0.322 3.637 3.960 -0.003 0.000 0.258 831 G C 0.691 175.834 174.900 0.404 0.000 1.207 831 G CA 0.229 45.489 45.100 0.266 0.000 0.954 831 G HN 0.984 nan 8.290 nan 0.000 0.551 832 W N 0.517 121.928 121.300 0.184 0.000 2.321 832 W HA -0.082 4.576 4.660 -0.003 0.000 0.306 832 W C 2.205 178.830 176.519 0.177 0.000 1.217 832 W CA 1.997 59.463 57.345 0.201 0.000 1.257 832 W CB -0.263 29.269 29.460 0.120 0.000 1.145 832 W HN 0.316 nan 8.180 nan 0.000 0.509 833 L N 0.298 121.630 121.223 0.182 0.000 2.633 833 L HA -0.118 4.220 4.340 -0.003 0.000 0.235 833 L C 1.838 178.823 176.870 0.191 0.000 1.163 833 L CA 1.324 56.204 54.840 0.067 0.000 0.859 833 L CB -1.779 40.465 42.059 0.308 0.000 0.973 833 L HN -0.001 nan 8.230 nan 0.000 0.451 834 F N -1.053 118.942 119.950 0.076 0.000 2.148 834 F HA -0.130 4.396 4.527 -0.003 0.000 0.285 834 F C 2.404 178.216 175.800 0.020 0.000 1.092 834 F CA 0.812 58.870 58.000 0.097 0.000 1.218 834 F CB -0.378 38.695 39.000 0.122 0.000 1.059 834 F HN 0.074 nan 8.300 nan 0.000 0.490 835 F N 1.862 121.845 119.950 0.055 0.000 2.095 835 F HA -0.183 4.342 4.527 -0.003 0.000 0.298 835 F C 2.631 178.205 175.800 -0.375 0.000 1.104 835 F CA 2.285 60.213 58.000 -0.119 0.000 1.232 835 F CB -0.917 38.047 39.000 -0.059 0.000 0.987 835 F HN -0.001 nan 8.300 nan 0.000 0.475 836 R N -0.952 118.902 120.500 -1.076 0.000 2.083 836 R HA -0.241 4.098 4.340 -0.003 0.000 0.237 836 R C 1.999 177.757 176.300 -0.903 0.000 1.137 836 R CA 2.231 57.518 56.100 -1.355 0.000 0.951 836 R CB -0.898 28.512 30.300 -1.483 0.000 0.851 836 R HN 0.404 nan 8.270 nan 0.000 0.434 837 Y N -0.578 119.433 120.300 -0.483 0.000 2.529 837 Y HA 0.035 4.583 4.550 -0.003 0.000 0.290 837 Y C 1.790 177.463 175.900 -0.378 0.000 1.177 837 Y CA 0.390 58.279 58.100 -0.351 0.000 1.305 837 Y CB 0.027 38.342 38.460 -0.242 0.000 1.047 837 Y HN 0.165 nan 8.280 nan 0.000 0.522 838 M N -0.304 119.076 119.600 -0.367 0.000 2.216 838 M HA 0.094 4.573 4.480 -0.003 0.000 0.264 838 M C 2.348 178.503 176.300 -0.240 0.000 1.080 838 M CA 1.516 56.603 55.300 -0.354 0.000 1.153 838 M CB -0.534 31.820 32.600 -0.410 0.000 1.356 838 M HN 0.098 nan 8.290 nan 0.000 0.432 839 A N 0.530 123.143 122.820 -0.345 0.000 1.902 839 A HA -0.133 4.185 4.320 -0.003 0.000 0.217 839 A C 2.027 179.528 177.584 -0.139 0.000 1.181 839 A CA 1.627 53.511 52.037 -0.255 0.000 0.623 839 A CB -1.047 17.679 19.000 -0.457 0.000 0.818 839 A HN 0.499 nan 8.150 nan 0.000 0.443 840 I N 0.056 120.522 120.570 -0.173 0.000 2.163 840 I HA -0.238 3.931 4.170 -0.003 0.000 0.243 840 I C 2.664 178.798 176.117 0.027 0.000 1.085 840 I CA 1.682 62.960 61.300 -0.037 0.000 1.347 840 I CB -1.984 36.012 38.000 -0.008 0.000 1.044 840 I HN 0.367 nan 8.210 nan 0.000 0.408 841 G N 0.579 109.360 108.800 -0.031 0.000 2.433 841 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.216 841 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.216 841 G C 1.767 176.660 174.900 -0.012 0.000 1.186 841 G CA 0.853 45.933 45.100 -0.033 0.000 0.779 841 G HN 0.471 nan 8.290 nan 0.000 0.543 842 G N -0.250 108.544 108.800 -0.009 0.000 2.475 842 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.220 842 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.220 842 G C 1.651 176.585 174.900 0.057 0.000 1.125 842 G CA 1.318 46.432 45.100 0.023 0.000 0.755 842 G HN 0.470 nan 8.290 nan 0.000 0.565 843 Y N 1.058 121.334 120.300 -0.041 0.000 2.184 843 Y HA -0.012 4.536 4.550 -0.003 0.000 0.290 843 Y C 2.777 178.662 175.900 -0.025 0.000 1.129 843 Y CA 1.233 59.315 58.100 -0.030 0.000 1.144 843 Y CB -0.436 37.998 38.460 -0.043 0.000 0.995 843 Y HN 0.020 nan 8.280 nan 0.000 0.513 844 V N 0.606 120.456 119.914 -0.106 0.000 2.380 844 V HA -0.307 3.811 4.120 -0.003 0.000 0.251 844 V C 2.524 178.513 176.094 -0.174 0.000 1.063 844 V CA 1.924 64.117 62.300 -0.179 0.000 1.055 844 V CB -1.599 30.189 31.823 -0.058 0.000 0.657 844 V HN 0.647 nan 8.190 nan 0.000 0.455 845 G N -0.429 108.310 108.800 -0.101 0.000 2.524 845 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.215 845 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.215 845 G C 1.823 176.674 174.900 -0.083 0.000 1.239 845 G CA 1.074 46.138 45.100 -0.061 0.000 0.798 845 G HN 0.598 nan 8.290 nan 0.000 0.557 846 A N 1.225 123.995 122.820 -0.083 0.000 1.903 846 A HA 0.060 4.378 4.320 -0.003 0.000 0.219 846 A C 2.836 180.331 177.584 -0.149 0.000 1.191 846 A CA 2.893 54.883 52.037 -0.077 0.000 0.638 846 A CB -1.019 17.956 19.000 -0.041 0.000 0.823 846 A HN 1.028 nan 8.150 nan 0.000 0.451 847 A N -0.604 122.023 122.820 -0.323 0.000 1.940 847 A HA -0.129 4.190 4.320 -0.003 0.000 0.219 847 A C 2.410 179.874 177.584 -0.200 0.000 1.176 847 A CA 2.678 54.494 52.037 -0.368 0.000 0.631 847 A CB -1.361 17.225 19.000 -0.690 0.000 0.814 847 A HN 0.734 nan 8.150 nan 0.000 0.446 848 T N -2.262 112.198 114.554 -0.156 0.000 2.770 848 T HA -0.063 4.285 4.350 -0.003 0.000 0.263 848 T C 1.732 176.409 174.700 -0.038 0.000 1.039 848 T CA 1.288 63.334 62.100 -0.091 0.000 1.142 848 T CB -0.870 67.954 68.868 -0.074 0.000 0.868 848 T HN 0.071 nan 8.240 nan 0.000 0.435 849 V N 2.196 122.097 119.914 -0.022 0.000 2.332 849 V HA -0.054 4.064 4.120 -0.003 0.000 0.248 849 V C 3.053 179.180 176.094 0.055 0.000 1.055 849 V CA 1.937 64.252 62.300 0.025 0.000 1.038 849 V CB -1.534 30.303 31.823 0.024 0.000 0.651 849 V HN 0.687 nan 8.190 nan 0.000 0.450 850 G N -0.380 108.435 108.800 0.025 0.000 2.418 850 G HA2 -0.205 3.754 3.960 -0.003 0.000 0.217 850 G HA3 -0.205 3.754 3.960 -0.003 0.000 0.217 850 G C 1.758 176.726 174.900 0.113 0.000 1.158 850 G CA 0.966 46.101 45.100 0.058 0.000 0.771 850 G HN 0.616 nan 8.290 nan 0.000 0.545 851 A N 0.923 123.771 122.820 0.047 0.000 2.019 851 A HA 0.278 4.596 4.320 -0.003 0.000 0.219 851 A C 2.723 180.428 177.584 0.202 0.000 1.164 851 A CA 2.193 54.279 52.037 0.082 0.000 0.644 851 A CB -0.555 18.424 19.000 -0.035 0.000 0.805 851 A HN 0.698 nan 8.150 nan 0.000 0.449 852 A N -0.092 122.810 122.820 0.137 0.000 1.832 852 A HA 0.268 4.586 4.320 -0.003 0.000 0.214 852 A C 2.519 180.281 177.584 0.297 0.000 1.204 852 A CA 1.780 53.894 52.037 0.128 0.000 0.606 852 A CB -1.236 17.840 19.000 0.127 0.000 0.849 852 A HN 1.110 nan 8.150 nan 0.000 0.445 853 A N -1.531 121.491 122.820 0.336 0.000 2.032 853 A HA -0.185 4.134 4.320 -0.003 0.000 0.221 853 A C 1.888 179.709 177.584 0.395 0.000 1.165 853 A CA 1.725 53.984 52.037 0.370 0.000 0.645 853 A CB -0.868 18.272 19.000 0.233 0.000 0.807 853 A HN 0.894 nan 8.150 nan 0.000 0.453 854 W N -0.817 120.603 121.300 0.199 0.000 2.348 854 W HA -0.163 4.495 4.660 -0.002 0.000 0.324 854 W C 2.079 178.735 176.519 0.228 0.000 1.209 854 W CA 1.881 59.354 57.345 0.213 0.000 1.275 854 W CB -1.058 28.463 29.460 0.102 0.000 1.175 854 W HN 0.430 nan 8.180 nan 0.000 0.461 855 W N 0.454 121.667 121.300 -0.145 0.000 2.290 855 W HA -0.337 4.321 4.660 -0.003 0.000 0.318 855 W C 2.107 178.375 176.519 -0.419 0.000 1.248 855 W CA 2.814 59.802 57.345 -0.596 0.000 1.263 855 W CB -1.114 28.145 29.460 -0.335 0.000 1.147 855 W HN -0.042 nan 8.180 nan 0.000 0.494 856 F N -0.322 119.667 119.950 0.065 0.000 2.307 856 F HA -0.199 4.326 4.527 -0.003 0.000 0.301 856 F C 2.195 177.776 175.800 -0.364 0.000 1.076 856 F CA 1.855 59.776 58.000 -0.131 0.000 1.383 856 F CB -0.563 38.426 39.000 -0.018 0.000 1.055 856 F HN -0.004 nan 8.300 nan 0.000 0.526 857 M N -3.549 115.942 119.600 -0.182 0.000 2.627 857 M HA 0.089 4.567 4.480 -0.003 0.000 0.236 857 M C 0.078 175.968 176.300 -0.683 0.000 1.483 857 M CA 0.513 55.554 55.300 -0.432 0.000 1.139 857 M CB 0.284 32.620 32.600 -0.439 0.000 1.399 857 M HN -0.158 nan 8.290 nan 0.000 0.549 858 Y N 0.719 120.709 120.300 -0.517 0.000 2.774 858 Y HA 0.673 5.222 4.550 -0.003 0.000 0.305 858 Y C 0.300 175.721 175.900 -0.798 0.000 1.067 858 Y CA -0.934 56.862 58.100 -0.506 0.000 1.304 858 Y CB -0.080 38.243 38.460 -0.227 0.000 1.209 858 Y HN 0.026 nan 8.280 nan 0.000 0.543 859 A N -0.122 122.195 122.820 -0.838 0.000 2.340 859 A HA 0.604 4.922 4.320 -0.003 0.000 0.331 859 A C 0.739 177.978 177.584 -0.575 0.000 1.140 859 A CA -0.640 50.853 52.037 -0.906 0.000 0.801 859 A CB 1.264 19.459 19.000 -1.341 0.000 1.234 859 A HN 0.194 nan 8.150 nan 0.000 0.469 860 E N 1.037 121.027 120.200 -0.351 0.000 1.999 860 E HA -0.143 4.206 4.350 -0.003 0.000 0.194 860 E C 0.493 176.942 176.600 -0.252 0.000 0.995 860 E CA 1.377 57.645 56.400 -0.221 0.000 0.825 860 E CB -0.422 29.223 29.700 -0.091 0.000 0.777 860 E HN 0.742 nan 8.360 nan 0.000 0.459 861 D N 1.093 121.383 120.400 -0.183 0.000 2.411 861 D HA -0.034 4.605 4.640 -0.003 0.000 0.226 861 D C 0.635 176.767 176.300 -0.280 0.000 0.988 861 D CA 0.659 54.590 54.000 -0.114 0.000 0.938 861 D CB -0.132 40.701 40.800 0.055 0.000 0.883 861 D HN 0.060 nan 8.370 nan 0.000 0.525 862 G N 1.168 109.538 108.800 -0.716 0.000 2.372 862 G HA2 0.363 4.321 3.960 -0.003 0.000 0.323 862 G HA3 0.363 4.321 3.960 -0.003 0.000 0.323 862 G C -2.650 171.764 174.900 -0.810 0.000 1.152 862 G CA -1.278 43.020 45.100 -1.337 0.000 0.906 862 G HN -0.197 nan 8.290 nan 0.000 0.460 863 P HA 0.054 nan 4.420 nan 0.000 0.245 863 P C 1.062 178.147 177.300 -0.358 0.000 1.347 863 P CA 0.201 63.105 63.100 -0.327 0.000 1.314 863 P CB -0.005 31.600 31.700 -0.158 0.000 1.679 864 G N 2.227 110.798 108.800 -0.381 0.000 2.224 864 G HA2 0.224 4.182 3.960 -0.003 0.000 0.239 864 G HA3 0.224 4.182 3.960 -0.003 0.000 0.239 864 G C 0.494 175.199 174.900 -0.325 0.000 1.240 864 G CA -0.128 44.744 45.100 -0.381 0.000 0.896 864 G HN 0.425 nan 8.290 nan 0.000 0.496 865 V N -0.003 119.713 119.914 -0.329 0.000 3.028 865 V HA 0.315 4.433 4.120 -0.003 0.000 0.418 865 V C 0.610 176.592 176.094 -0.187 0.000 1.433 865 V CA -0.039 62.123 62.300 -0.229 0.000 1.543 865 V CB -0.414 31.236 31.823 -0.289 0.000 1.329 865 V HN 1.022 nan 8.190 nan 0.000 0.646 866 T N -0.792 113.519 114.554 -0.405 0.000 2.738 866 T HA 0.195 4.544 4.350 -0.003 0.000 0.277 866 T C 0.389 174.885 174.700 -0.341 0.000 0.981 866 T CA 1.126 62.813 62.100 -0.687 0.000 1.211 866 T CB -0.718 67.599 68.868 -0.919 0.000 0.932 866 T HN 1.204 nan 8.240 nan 0.000 0.522 867 Y N -0.744 119.560 120.300 0.006 0.000 4.798 867 Y HA -0.253 4.296 4.550 -0.003 0.000 0.237 867 Y C 1.389 177.318 175.900 0.049 0.000 1.017 867 Y CA 0.888 59.016 58.100 0.046 0.000 2.010 867 Y CB -3.001 35.479 38.460 0.034 0.000 1.582 867 Y HN 0.936 nan 8.280 nan 0.000 0.621 868 H N 2.136 121.238 119.070 0.054 0.000 2.553 868 H HA 0.074 4.628 4.556 -0.003 0.000 0.269 868 H C 0.181 175.577 175.328 0.112 0.000 1.011 868 H CA 1.431 57.514 56.048 0.059 0.000 1.150 868 H CB 0.075 29.852 29.762 0.024 0.000 1.339 868 H HN 0.633 nan 8.280 nan 0.000 0.604 869 Q N 0.540 120.449 119.800 0.181 0.000 2.417 869 Q HA -0.192 4.146 4.340 -0.003 0.000 0.362 869 Q C 0.954 177.128 176.000 0.290 0.000 1.384 869 Q CA 0.332 56.257 55.803 0.202 0.000 1.017 869 Q CB -1.012 27.833 28.738 0.177 0.000 1.157 869 Q HN 0.509 nan 8.270 nan 0.000 0.313 870 L N 0.302 121.602 121.223 0.128 0.000 2.291 870 L HA -0.126 4.212 4.340 -0.003 0.000 0.214 870 L C 2.122 179.008 176.870 0.026 0.000 1.120 870 L CA 1.527 56.333 54.840 -0.056 0.000 0.799 870 L CB -0.106 41.748 42.059 -0.342 0.000 0.925 870 L HN 0.573 nan 8.230 nan 0.000 0.446 871 T N -2.598 112.016 114.554 0.100 0.000 2.706 871 T HA -0.183 4.165 4.350 -0.003 0.000 0.255 871 T C 1.860 176.670 174.700 0.182 0.000 1.048 871 T CA 0.761 62.922 62.100 0.101 0.000 1.153 871 T CB -0.381 68.538 68.868 0.085 0.000 0.865 871 T HN 0.315 nan 8.240 nan 0.000 0.414 872 H N 1.194 120.351 119.070 0.146 0.000 2.444 872 H HA -0.135 4.420 4.556 -0.003 0.000 0.294 872 H C 0.409 175.899 175.328 0.271 0.000 1.125 872 H CA 1.709 57.851 56.048 0.156 0.000 1.230 872 H CB -0.187 29.643 29.762 0.114 0.000 1.361 872 H HN 0.430 nan 8.280 nan 0.000 0.508 873 F N -2.617 117.471 119.950 0.229 0.000 2.713 873 F HA 0.436 4.961 4.527 -0.003 0.000 0.311 873 F C -0.364 175.593 175.800 0.261 0.000 1.141 873 F CA -1.150 56.964 58.000 0.190 0.000 0.939 873 F CB 0.961 40.075 39.000 0.190 0.000 1.325 873 F HN -0.162 nan 8.300 nan 0.000 0.453 874 M N 0.706 120.150 119.600 -0.261 0.000 1.893 874 M HA 0.021 4.500 4.480 -0.003 0.000 0.389 874 M C 1.012 177.101 176.300 -0.353 0.000 0.807 874 M CA 0.329 55.432 55.300 -0.329 0.000 1.178 874 M CB 0.653 33.245 32.600 -0.014 0.000 2.351 874 M HN 0.884 nan 8.290 nan 0.000 0.819 875 Q N 0.138 119.878 119.800 -0.099 0.000 2.045 875 Q HA -0.228 4.111 4.340 -0.003 0.000 0.206 875 Q C 1.348 177.342 176.000 -0.011 0.000 0.991 875 Q CA 1.783 57.589 55.803 0.005 0.000 0.851 875 Q CB -0.167 28.643 28.738 0.120 0.000 0.911 875 Q HN 0.656 nan 8.270 nan 0.000 0.418 876 c N 0.334 119.049 118.600 0.192 0.000 4.397 876 c HA -0.170 4.399 4.570 -0.003 0.000 0.291 876 c C 1.193 175.327 174.090 0.074 0.000 1.408 876 c CA 0.762 57.230 56.329 0.232 0.000 1.971 876 c CB -2.276 40.166 42.510 -0.112 0.000 1.258 876 c HN 0.636 nan 8.230 nan 0.000 0.795 877 T N -0.346 114.248 114.554 0.067 0.000 3.129 877 T HA 0.053 4.401 4.350 -0.003 0.000 0.251 877 T C 1.260 175.910 174.700 -0.084 0.000 1.117 877 T CA 1.325 63.417 62.100 -0.013 0.000 1.034 877 T CB 0.020 68.891 68.868 0.004 0.000 0.968 877 T HN 0.843 nan 8.240 nan 0.000 0.526 878 E N 0.748 120.870 120.200 -0.130 0.000 2.332 878 E HA 0.098 4.446 4.350 -0.003 0.000 0.202 878 E C 0.689 176.928 176.600 -0.601 0.000 0.877 878 E CA 0.183 56.349 56.400 -0.390 0.000 0.979 878 E CB 0.168 29.713 29.700 -0.258 0.000 0.969 878 E HN 0.243 nan 8.360 nan 0.000 0.495 879 D N -0.081 120.130 120.400 -0.315 0.000 3.070 879 D HA -0.233 4.405 4.640 -0.003 0.000 0.220 879 D C 0.862 176.921 176.300 -0.401 0.000 1.176 879 D CA 0.966 54.816 54.000 -0.249 0.000 0.924 879 D CB -0.863 39.804 40.800 -0.222 0.000 1.124 879 D HN 0.309 nan 8.370 nan 0.000 0.411 880 H N -1.053 117.756 119.070 -0.436 0.000 2.326 880 H HA 0.023 4.578 4.556 -0.003 0.000 0.301 880 H C -0.783 174.107 175.328 -0.730 0.000 1.081 880 H CA 1.683 57.276 56.048 -0.759 0.000 1.334 880 H CB -1.395 28.024 29.762 -0.573 0.000 1.385 880 H HN 0.458 nan 8.280 nan 0.000 0.504 881 P HA -0.075 nan 4.420 nan 0.000 0.244 881 P C -0.175 177.284 177.300 0.266 0.000 1.211 881 P CA 1.342 64.382 63.100 -0.100 0.000 0.760 881 P CB -0.157 31.332 31.700 -0.351 0.000 0.961 882 H N -1.548 117.519 119.070 -0.004 0.000 2.922 882 H HA 0.246 4.801 4.556 -0.003 0.000 0.219 882 H C 0.635 175.997 175.328 0.057 0.000 1.356 882 H CA -1.055 55.053 56.048 0.100 0.000 1.424 882 H CB -0.880 28.937 29.762 0.092 0.000 2.045 882 H HN -0.309 nan 8.280 nan 0.000 0.595 883 F N 1.081 121.087 119.950 0.093 0.000 2.025 883 F HA -0.225 4.301 4.527 -0.003 0.000 0.297 883 F C 2.036 177.777 175.800 -0.098 0.000 1.171 883 F CA 2.082 60.087 58.000 0.007 0.000 1.204 883 F CB -0.163 38.858 39.000 0.035 0.000 0.948 883 F HN 0.443 nan 8.300 nan 0.000 0.512 884 E N 0.765 121.048 120.200 0.138 0.000 2.705 884 E HA 0.214 4.562 4.350 -0.003 0.000 0.272 884 E C -0.217 176.227 176.600 -0.260 0.000 1.528 884 E CA -0.240 56.145 56.400 -0.024 0.000 1.750 884 E CB -0.786 28.929 29.700 0.025 0.000 1.439 884 E HN 0.334 nan 8.360 nan 0.000 0.449 885 G N 1.059 109.528 108.800 -0.552 0.000 2.487 885 G HA2 0.426 4.384 3.960 -0.003 0.000 0.314 885 G HA3 0.426 4.384 3.960 -0.003 0.000 0.314 885 G C -0.172 174.480 174.900 -0.414 0.000 1.267 885 G CA -0.559 43.890 45.100 -1.085 0.000 0.937 885 G HN 0.307 nan 8.290 nan 0.000 0.481 886 L N 2.669 123.760 121.223 -0.221 0.000 3.141 886 L HA 0.400 4.738 4.340 -0.003 0.000 0.263 886 L C -0.355 176.487 176.870 -0.047 0.000 1.312 886 L CA -0.135 54.642 54.840 -0.105 0.000 1.012 886 L CB 0.384 42.399 42.059 -0.073 0.000 1.408 886 L HN 0.393 nan 8.230 nan 0.000 0.559 887 D N -0.790 119.601 120.400 -0.014 0.000 2.738 887 D HA 0.181 4.819 4.640 -0.003 0.000 0.218 887 D C -0.833 175.486 176.300 0.033 0.000 1.345 887 D CA -0.254 53.761 54.000 0.025 0.000 0.943 887 D CB 2.143 42.980 40.800 0.062 0.000 1.514 887 D HN -0.004 nan 8.370 nan 0.000 0.585 888 c N 3.169 121.742 118.600 -0.045 0.000 3.525 888 c HA 0.113 4.681 4.570 -0.003 0.000 0.289 888 c C 1.498 175.493 174.090 -0.158 0.000 1.496 888 c CA -0.196 56.027 56.329 -0.177 0.000 1.804 888 c CB -0.431 41.919 42.510 -0.266 0.000 2.708 888 c HN 0.670 nan 8.230 nan 0.000 0.642 889 E N 1.097 121.278 120.200 -0.031 0.000 2.445 889 E HA 0.032 4.380 4.350 -0.003 0.000 0.189 889 E C 1.181 177.850 176.600 0.115 0.000 1.069 889 E CA 0.322 56.734 56.400 0.021 0.000 0.871 889 E CB -0.223 29.486 29.700 0.015 0.000 0.991 889 E HN 0.797 nan 8.360 nan 0.000 0.481 890 I N -3.860 116.823 120.570 0.187 0.000 3.793 890 I HA 0.160 4.328 4.170 -0.003 0.000 0.315 890 I C 0.875 177.315 176.117 0.537 0.000 1.275 890 I CA -0.162 61.337 61.300 0.331 0.000 1.214 890 I CB -0.088 38.118 38.000 0.343 0.000 1.018 890 I HN -0.155 nan 8.210 nan 0.000 0.439 891 F N 2.317 122.321 119.950 0.089 0.000 2.802 891 F HA 0.155 4.681 4.527 -0.003 0.000 0.300 891 F C 1.313 177.189 175.800 0.127 0.000 1.168 891 F CA 0.450 58.438 58.000 -0.019 0.000 1.433 891 F CB -0.389 38.498 39.000 -0.188 0.000 1.115 891 F HN 0.301 nan 8.300 nan 0.000 0.582 892 E N -0.970 119.420 120.200 0.318 0.000 2.810 892 E HA 0.334 4.683 4.350 -0.003 0.000 0.214 892 E C 0.533 177.210 176.600 0.128 0.000 0.980 892 E CA -0.238 56.279 56.400 0.196 0.000 1.159 892 E CB 0.436 30.210 29.700 0.124 0.000 1.047 892 E HN 0.089 nan 8.360 nan 0.000 0.484 893 A N 2.826 125.745 122.820 0.164 0.000 2.507 893 A HA 0.102 4.420 4.320 -0.003 0.000 0.235 893 A C -1.215 176.265 177.584 -0.174 0.000 1.070 893 A CA -0.746 51.293 52.037 0.004 0.000 0.768 893 A CB 0.076 19.095 19.000 0.030 0.000 1.011 893 A HN -0.008 nan 8.150 nan 0.000 0.502 894 P HA -0.069 nan 4.420 nan 0.000 0.224 894 P C 0.697 177.724 177.300 -0.455 0.000 1.157 894 P CA 0.941 63.882 63.100 -0.266 0.000 0.799 894 P CB 0.258 31.840 31.700 -0.196 0.000 0.809 895 E N 1.176 120.964 120.200 -0.686 0.000 2.033 895 E HA -0.154 4.194 4.350 -0.003 0.000 0.199 895 E C -0.400 175.490 176.600 -1.183 0.000 1.011 895 E CA 2.378 58.145 56.400 -1.054 0.000 0.815 895 E CB -2.128 26.579 29.700 -1.655 0.000 0.755 895 E HN 0.392 nan 8.360 nan 0.000 0.451 896 P HA -0.177 nan 4.420 nan 0.000 0.215 896 P C 1.391 178.411 177.300 -0.467 0.000 1.153 896 P CA 1.623 64.173 63.100 -0.917 0.000 0.853 896 P CB -0.064 30.900 31.700 -1.227 0.000 0.788 897 M N -0.878 118.496 119.600 -0.376 0.000 2.117 897 M HA -0.090 4.388 4.480 -0.003 0.000 0.262 897 M C 2.167 178.327 176.300 -0.233 0.000 1.065 897 M CA 1.998 57.170 55.300 -0.212 0.000 1.114 897 M CB -1.423 31.092 32.600 -0.142 0.000 1.361 897 M HN -0.069 nan 8.290 nan 0.000 0.408 898 T N 0.509 114.873 114.554 -0.317 0.000 2.929 898 T HA -0.094 4.255 4.350 -0.003 0.000 0.271 898 T C 1.779 176.280 174.700 -0.332 0.000 1.085 898 T CA 0.944 62.854 62.100 -0.318 0.000 1.125 898 T CB -0.007 68.629 68.868 -0.387 0.000 0.874 898 T HN 0.231 nan 8.240 nan 0.000 0.494 899 M N 0.731 120.131 119.600 -0.333 0.000 2.160 899 M HA 0.152 4.631 4.480 -0.003 0.000 0.264 899 M C 2.831 179.024 176.300 -0.179 0.000 1.073 899 M CA 1.096 56.245 55.300 -0.252 0.000 1.142 899 M CB -1.361 31.156 32.600 -0.139 0.000 1.358 899 M HN 0.284 nan 8.290 nan 0.000 0.422 900 A N 0.209 122.942 122.820 -0.146 0.000 1.883 900 A HA -0.184 4.135 4.320 -0.003 0.000 0.217 900 A C 2.224 179.746 177.584 -0.102 0.000 1.186 900 A CA 1.486 53.464 52.037 -0.099 0.000 0.624 900 A CB -0.986 17.972 19.000 -0.069 0.000 0.822 900 A HN 0.395 nan 8.150 nan 0.000 0.444 901 L N -0.138 121.020 121.223 -0.109 0.000 2.017 901 L HA -0.113 4.225 4.340 -0.003 0.000 0.208 901 L C 2.713 179.516 176.870 -0.111 0.000 1.073 901 L CA 2.403 57.191 54.840 -0.086 0.000 0.745 901 L CB -0.563 41.462 42.059 -0.057 0.000 0.894 901 L HN 0.322 nan 8.230 nan 0.000 0.432 902 S N -1.342 114.280 115.700 -0.129 0.000 2.370 902 S HA -0.193 4.275 4.470 -0.003 0.000 0.226 902 S C 1.986 176.542 174.600 -0.075 0.000 1.033 902 S CA 1.378 59.496 58.200 -0.137 0.000 1.011 902 S CB -0.441 62.493 63.200 -0.443 0.000 0.852 902 S HN 0.303 nan 8.310 nan 0.000 0.457 903 V N 1.732 121.590 119.914 -0.094 0.000 2.233 903 V HA -0.186 3.932 4.120 -0.003 0.000 0.247 903 V C 2.267 178.330 176.094 -0.050 0.000 1.050 903 V CA 1.890 64.155 62.300 -0.058 0.000 1.010 903 V CB -0.657 31.109 31.823 -0.096 0.000 0.637 903 V HN 0.370 nan 8.190 nan 0.000 0.444 904 L N -0.061 121.117 121.223 -0.075 0.000 1.990 904 L HA -0.184 4.155 4.340 -0.003 0.000 0.213 904 L C 2.364 179.197 176.870 -0.061 0.000 1.072 904 L CA 2.057 56.856 54.840 -0.068 0.000 0.755 904 L CB -0.586 41.431 42.059 -0.070 0.000 0.889 904 L HN 0.165 nan 8.230 nan 0.000 0.432 905 V N -1.107 118.744 119.914 -0.105 0.000 2.392 905 V HA -0.310 3.808 4.120 -0.003 0.000 0.249 905 V C 2.421 178.493 176.094 -0.036 0.000 1.059 905 V CA 2.211 64.436 62.300 -0.125 0.000 1.051 905 V CB -1.024 30.567 31.823 -0.385 0.000 0.658 905 V HN 0.559 nan 8.190 nan 0.000 0.455 906 T N -0.092 114.469 114.554 0.012 0.000 2.809 906 T HA 0.019 4.367 4.350 -0.003 0.000 0.260 906 T C 1.857 176.600 174.700 0.071 0.000 1.039 906 T CA 1.292 63.439 62.100 0.079 0.000 1.141 906 T CB -0.186 68.775 68.868 0.156 0.000 0.869 906 T HN 0.304 nan 8.240 nan 0.000 0.437 907 I N 1.147 121.750 120.570 0.056 0.000 2.264 907 I HA -0.157 4.012 4.170 -0.003 0.000 0.248 907 I C 2.610 178.775 176.117 0.079 0.000 1.111 907 I CA 1.158 62.501 61.300 0.071 0.000 1.382 907 I CB -0.298 37.731 38.000 0.048 0.000 1.060 907 I HN 0.168 nan 8.210 nan 0.000 0.418 908 E N 0.177 120.411 120.200 0.057 0.000 2.152 908 E HA -0.132 4.216 4.350 -0.003 0.000 0.192 908 E C 2.191 178.913 176.600 0.203 0.000 0.983 908 E CA 0.946 57.403 56.400 0.095 0.000 0.818 908 E CB -0.139 29.570 29.700 0.015 0.000 0.758 908 E HN 0.362 nan 8.360 nan 0.000 0.467 909 M N -0.114 119.564 119.600 0.131 0.000 2.175 909 M HA -0.122 4.356 4.480 -0.003 0.000 0.264 909 M C 2.411 178.774 176.300 0.104 0.000 1.063 909 M CA 0.784 56.154 55.300 0.117 0.000 1.119 909 M CB -1.273 31.378 32.600 0.084 0.000 1.377 909 M HN 0.163 nan 8.290 nan 0.000 0.415 910 C N 0.426 119.786 119.300 0.101 0.000 2.442 910 C HA -0.137 4.321 4.460 -0.003 0.000 0.279 910 C C 2.500 177.550 174.990 0.101 0.000 1.237 910 C CA 1.114 60.183 59.018 0.084 0.000 1.722 910 C CB -1.428 26.361 27.740 0.081 0.000 2.056 910 C HN 0.567 nan 8.230 nan 0.000 0.469 911 N N 0.712 119.505 118.700 0.154 0.000 2.334 911 N HA -0.092 4.646 4.740 -0.003 0.000 0.187 911 N C 1.527 177.169 175.510 0.219 0.000 1.016 911 N CA 1.261 54.431 53.050 0.201 0.000 0.879 911 N CB -0.175 38.455 38.487 0.238 0.000 0.965 911 N HN 0.541 nan 8.380 nan 0.000 0.438 912 A N -0.237 122.686 122.820 0.172 0.000 1.969 912 A HA -0.029 4.289 4.320 -0.003 0.000 0.218 912 A C 2.025 179.552 177.584 -0.095 0.000 1.169 912 A CA 0.862 52.818 52.037 -0.135 0.000 0.635 912 A CB -0.390 18.526 19.000 -0.141 0.000 0.810 912 A HN 0.302 nan 8.150 nan 0.000 0.445 913 L N -0.744 120.467 121.223 -0.020 0.000 2.209 913 L HA -0.024 4.315 4.340 -0.003 0.000 0.207 913 L C 1.952 178.807 176.870 -0.024 0.000 1.094 913 L CA 0.516 55.336 54.840 -0.034 0.000 0.790 913 L CB -0.468 41.575 42.059 -0.027 0.000 0.932 913 L HN 0.276 nan 8.230 nan 0.000 0.447 914 N N -0.326 118.382 118.700 0.013 0.000 2.453 914 N HA -0.086 4.653 4.740 -0.003 0.000 0.183 914 N C 1.579 177.113 175.510 0.039 0.000 1.041 914 N CA 0.814 53.881 53.050 0.028 0.000 0.900 914 N CB 0.171 38.691 38.487 0.056 0.000 0.961 914 N HN 0.136 nan 8.380 nan 0.000 0.443 915 S N 0.389 116.104 115.700 0.025 0.000 2.575 915 S HA 0.235 4.703 4.470 -0.003 0.000 0.215 915 S C 1.823 176.408 174.600 -0.025 0.000 0.966 915 S CA -0.279 57.932 58.200 0.017 0.000 0.911 915 S CB 0.336 63.518 63.200 -0.029 0.000 0.780 915 S HN 0.254 nan 8.310 nan 0.000 0.514 916 L N 0.631 121.833 121.223 -0.034 0.000 2.131 916 L HA 0.019 4.357 4.340 -0.003 0.000 0.210 916 L C 1.136 177.991 176.870 -0.025 0.000 1.092 916 L CA 0.738 55.555 54.840 -0.038 0.000 0.759 916 L CB 0.045 42.071 42.059 -0.053 0.000 0.903 916 L HN 0.221 nan 8.230 nan 0.000 0.435 917 S N -1.909 113.784 115.700 -0.011 0.000 2.546 917 S HA 0.141 4.609 4.470 -0.003 0.000 0.274 917 S C 0.466 175.080 174.600 0.023 0.000 1.121 917 S CA -0.751 57.447 58.200 -0.002 0.000 0.887 917 S CB 1.853 65.048 63.200 -0.008 0.000 1.094 917 S HN 0.252 nan 8.310 nan 0.000 0.474 918 E N 2.843 123.060 120.200 0.029 0.000 2.072 918 E HA -0.031 4.318 4.350 -0.003 0.000 0.191 918 E C 0.749 177.390 176.600 0.069 0.000 0.985 918 E CA 1.539 57.976 56.400 0.062 0.000 0.801 918 E CB -0.065 29.672 29.700 0.061 0.000 0.750 918 E HN 0.784 nan 8.360 nan 0.000 0.452 919 N N -0.663 118.067 118.700 0.050 0.000 2.184 919 N HA 0.068 4.806 4.740 -0.003 0.000 0.234 919 N C -0.937 174.592 175.510 0.031 0.000 1.282 919 N CA -0.366 52.717 53.050 0.055 0.000 0.877 919 N CB 0.859 39.371 38.487 0.041 0.000 1.184 919 N HN -0.029 nan 8.380 nan 0.000 0.510 920 Q N 0.951 120.763 119.800 0.020 0.000 2.256 920 Q HA 0.261 4.600 4.340 -0.003 0.000 0.257 920 Q C -0.102 175.904 176.000 0.011 0.000 0.936 920 Q CA -0.165 55.644 55.803 0.010 0.000 0.903 920 Q CB 1.927 30.662 28.738 -0.005 0.000 1.263 920 Q HN 0.063 nan 8.270 nan 0.000 0.440 921 S N 1.352 117.063 115.700 0.018 0.000 2.589 921 S HA 0.120 4.589 4.470 -0.003 0.000 0.265 921 S C 1.135 175.718 174.600 -0.028 0.000 1.342 921 S CA -0.304 57.903 58.200 0.012 0.000 1.005 921 S CB 0.372 63.590 63.200 0.031 0.000 0.909 921 S HN 0.645 nan 8.310 nan 0.000 0.555 922 L N 2.654 123.849 121.223 -0.047 0.000 2.552 922 L HA -0.023 4.315 4.340 -0.003 0.000 0.227 922 L C 2.116 178.916 176.870 -0.118 0.000 1.146 922 L CA 0.222 54.999 54.840 -0.106 0.000 0.858 922 L CB -0.234 41.757 42.059 -0.113 0.000 0.969 922 L HN 0.680 nan 8.230 nan 0.000 0.451 923 M N -0.883 118.682 119.600 -0.057 0.000 2.062 923 M HA -0.144 4.334 4.480 -0.003 0.000 0.259 923 M C 2.329 178.608 176.300 -0.035 0.000 1.076 923 M CA 1.676 56.957 55.300 -0.033 0.000 1.122 923 M CB -1.078 31.522 32.600 0.000 0.000 1.312 923 M HN 0.137 nan 8.290 nan 0.000 0.412 924 R N -0.336 120.150 120.500 -0.024 0.000 2.092 924 R HA 0.003 4.342 4.340 -0.003 0.000 0.231 924 R C 0.553 176.826 176.300 -0.045 0.000 1.119 924 R CA 0.765 56.855 56.100 -0.017 0.000 0.970 924 R CB -0.359 29.937 30.300 -0.007 0.000 0.864 924 R HN 0.274 nan 8.270 nan 0.000 0.440 925 M N 1.326 120.878 119.600 -0.080 0.000 2.480 925 M HA 0.312 4.790 4.480 -0.003 0.000 0.320 925 M C -2.455 173.702 176.300 -0.239 0.000 1.141 925 M CA -2.602 52.627 55.300 -0.119 0.000 1.102 925 M CB 1.597 34.149 32.600 -0.081 0.000 1.249 925 M HN -0.244 nan 8.290 nan 0.000 0.446 926 P HA 0.110 nan 4.420 nan 0.000 0.270 926 P C -2.254 174.560 177.300 -0.811 0.000 1.227 926 P CA -0.803 61.787 63.100 -0.850 0.000 0.788 926 P CB 0.175 31.009 31.700 -1.443 0.000 0.926 927 P HA -0.134 nan 4.420 nan 0.000 0.215 927 P C 0.697 177.841 177.300 -0.259 0.000 1.157 927 P CA 1.325 64.184 63.100 -0.402 0.000 0.863 927 P CB -0.488 31.069 31.700 -0.240 0.000 0.787 928 W N -1.285 120.024 121.300 0.013 0.000 2.747 928 W HA 0.037 4.695 4.660 -0.003 0.000 0.244 928 W C 1.002 177.534 176.519 0.022 0.000 1.270 928 W CA -0.009 57.342 57.345 0.010 0.000 1.333 928 W CB -2.123 27.336 29.460 -0.001 0.000 1.139 928 W HN -0.264 nan 8.180 nan 0.000 0.662 929 V N 1.426 121.301 119.914 -0.065 0.000 2.515 929 V HA -0.214 3.905 4.120 -0.003 0.000 0.250 929 V C 1.060 177.206 176.094 0.086 0.000 1.058 929 V CA 1.879 64.192 62.300 0.021 0.000 1.064 929 V CB -0.753 31.029 31.823 -0.068 0.000 0.675 929 V HN 0.349 nan 8.190 nan 0.000 0.461 930 N N 0.437 119.187 118.700 0.083 0.000 2.626 930 N HA 0.199 4.937 4.740 -0.003 0.000 0.249 930 N C 0.628 176.236 175.510 0.164 0.000 1.021 930 N CA -0.275 52.864 53.050 0.149 0.000 0.886 930 N CB 1.183 39.750 38.487 0.134 0.000 1.149 930 N HN -0.009 nan 8.380 nan 0.000 0.517 931 I N 1.669 122.334 120.570 0.159 0.000 2.179 931 I HA -0.204 3.964 4.170 -0.003 0.000 0.242 931 I C 1.446 177.578 176.117 0.025 0.000 1.088 931 I CA 1.140 62.471 61.300 0.052 0.000 1.357 931 I CB -0.690 37.265 38.000 -0.074 0.000 1.051 931 I HN 0.558 nan 8.210 nan 0.000 0.409 932 W N 0.685 122.021 121.300 0.059 0.000 2.331 932 W HA -0.239 4.419 4.660 -0.003 0.000 0.291 932 W C 2.455 179.041 176.519 0.112 0.000 1.214 932 W CA 0.750 58.153 57.345 0.096 0.000 1.228 932 W CB -0.741 28.846 29.460 0.211 0.000 1.135 932 W HN 0.122 nan 8.180 nan 0.000 0.537 933 L N 0.094 121.498 121.223 0.301 0.000 2.027 933 L HA -0.117 4.221 4.340 -0.003 0.000 0.206 933 L C 2.049 178.976 176.870 0.096 0.000 1.074 933 L CA 1.868 56.805 54.840 0.162 0.000 0.745 933 L CB -1.090 41.027 42.059 0.096 0.000 0.898 933 L HN 0.004 nan 8.230 nan 0.000 0.433 934 L N -0.699 120.572 121.223 0.079 0.000 2.131 934 L HA -0.101 4.237 4.340 -0.003 0.000 0.210 934 L C 2.492 179.382 176.870 0.033 0.000 1.092 934 L CA 1.067 55.938 54.840 0.052 0.000 0.759 934 L CB -1.477 40.617 42.059 0.059 0.000 0.903 934 L HN 0.465 nan 8.230 nan 0.000 0.435 935 G N 0.325 109.135 108.800 0.016 0.000 2.453 935 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.215 935 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.215 935 G C 1.797 176.723 174.900 0.043 0.000 1.201 935 G CA 1.046 46.138 45.100 -0.013 0.000 0.784 935 G HN 0.489 nan 8.290 nan 0.000 0.545 936 S N 0.971 116.728 115.700 0.095 0.000 2.374 936 S HA -0.138 4.330 4.470 -0.003 0.000 0.227 936 S C 2.337 176.981 174.600 0.073 0.000 1.037 936 S CA 1.382 59.640 58.200 0.096 0.000 1.024 936 S CB -0.510 62.757 63.200 0.111 0.000 0.861 936 S HN 0.361 nan 8.310 nan 0.000 0.456 937 I N 1.384 121.993 120.570 0.064 0.000 2.163 937 I HA -0.246 3.922 4.170 -0.003 0.000 0.243 937 I C 2.677 178.838 176.117 0.073 0.000 1.085 937 I CA 1.322 62.661 61.300 0.065 0.000 1.347 937 I CB -0.785 37.247 38.000 0.053 0.000 1.044 937 I HN 0.441 nan 8.210 nan 0.000 0.408 938 C N 0.143 119.477 119.300 0.057 0.000 2.462 938 C HA -0.144 4.314 4.460 -0.003 0.000 0.278 938 C C 2.719 177.755 174.990 0.077 0.000 1.253 938 C CA 0.256 59.305 59.018 0.052 0.000 1.713 938 C CB -1.013 26.739 27.740 0.019 0.000 2.049 938 C HN 0.507 nan 8.230 nan 0.000 0.477 939 L N 1.287 122.553 121.223 0.071 0.000 2.129 939 L HA -0.137 4.201 4.340 -0.003 0.000 0.212 939 L C 2.404 179.352 176.870 0.130 0.000 1.087 939 L CA 1.920 56.814 54.840 0.089 0.000 0.757 939 L CB -0.906 41.198 42.059 0.076 0.000 0.896 939 L HN 0.285 nan 8.230 nan 0.000 0.434 940 S N -1.238 114.538 115.700 0.127 0.000 2.329 940 S HA -0.102 4.367 4.470 -0.003 0.000 0.215 940 S C 1.878 176.625 174.600 0.245 0.000 1.031 940 S CA 1.351 59.648 58.200 0.161 0.000 0.985 940 S CB -0.222 63.046 63.200 0.113 0.000 0.917 940 S HN 0.351 nan 8.310 nan 0.000 0.441 941 M N 2.208 121.943 119.600 0.226 0.000 2.151 941 M HA -0.157 4.321 4.480 -0.003 0.000 0.256 941 M C 2.553 179.154 176.300 0.502 0.000 1.072 941 M CA 2.169 57.668 55.300 0.333 0.000 1.090 941 M CB -2.143 30.606 32.600 0.249 0.000 1.294 941 M HN 0.521 nan 8.290 nan 0.000 0.415 942 S N 0.125 116.027 115.700 0.337 0.000 2.365 942 S HA -0.176 4.292 4.470 -0.003 0.000 0.225 942 S C 2.133 176.965 174.600 0.386 0.000 1.039 942 S CA 1.488 59.873 58.200 0.308 0.000 1.033 942 S CB -1.072 62.204 63.200 0.126 0.000 0.887 942 S HN 0.537 nan 8.310 nan 0.000 0.447 943 L N 0.707 122.136 121.223 0.343 0.000 2.187 943 L HA -0.134 4.204 4.340 -0.003 0.000 0.213 943 L C 2.864 179.974 176.870 0.400 0.000 1.100 943 L CA 1.772 56.843 54.840 0.385 0.000 0.765 943 L CB -0.592 41.733 42.059 0.443 0.000 0.904 943 L HN 0.478 nan 8.230 nan 0.000 0.437 944 H N -0.440 118.807 119.070 0.296 0.000 2.353 944 H HA -0.198 4.356 4.556 -0.003 0.000 0.300 944 H C 1.889 177.236 175.328 0.032 0.000 1.090 944 H CA 1.821 57.946 56.048 0.129 0.000 1.327 944 H CB -0.178 29.655 29.762 0.120 0.000 1.383 944 H HN 0.205 nan 8.280 nan 0.000 0.508 945 F N -0.454 119.586 119.950 0.150 0.000 2.186 945 F HA -0.078 4.447 4.527 -0.003 0.000 0.299 945 F C 2.429 178.350 175.800 0.203 0.000 1.090 945 F CA 0.830 58.943 58.000 0.187 0.000 1.307 945 F CB -0.717 38.384 39.000 0.169 0.000 1.019 945 F HN 0.212 nan 8.300 nan 0.000 0.489 946 L N 1.256 122.656 121.223 0.294 0.000 2.089 946 L HA -0.207 4.131 4.340 -0.003 0.000 0.213 946 L C 1.999 178.924 176.870 0.090 0.000 1.079 946 L CA 1.861 56.818 54.840 0.194 0.000 0.758 946 L CB -0.831 41.337 42.059 0.182 0.000 0.891 946 L HN 0.337 nan 8.230 nan 0.000 0.433 947 I N -4.418 116.115 120.570 -0.061 0.000 3.684 947 I HA -0.021 4.148 4.170 -0.003 0.000 0.304 947 I C 1.544 177.570 176.117 -0.152 0.000 1.278 947 I CA 0.461 61.666 61.300 -0.158 0.000 1.272 947 I CB -0.289 37.420 38.000 -0.485 0.000 1.029 947 I HN 0.159 nan 8.210 nan 0.000 0.458 948 L N -0.819 120.317 121.223 -0.146 0.000 2.513 948 L HA 0.151 4.490 4.340 -0.003 0.000 0.222 948 L C 1.611 178.230 176.870 -0.418 0.000 1.096 948 L CA 0.587 55.228 54.840 -0.332 0.000 0.857 948 L CB -0.040 41.718 42.059 -0.501 0.000 1.026 948 L HN 0.235 nan 8.230 nan 0.000 0.469 949 Y N -1.250 119.042 120.300 -0.013 0.000 2.673 949 Y HA 0.147 4.695 4.550 -0.003 0.000 0.278 949 Y C 1.258 177.167 175.900 0.016 0.000 1.127 949 Y CA -0.599 57.513 58.100 0.020 0.000 1.261 949 Y CB -0.058 38.442 38.460 0.066 0.000 1.412 949 Y HN -0.367 nan 8.280 nan 0.000 0.496 950 V N 3.653 123.677 119.914 0.183 0.000 2.519 950 V HA -0.145 3.973 4.120 -0.003 0.000 0.258 950 V C 0.501 176.628 176.094 0.057 0.000 0.989 950 V CA 0.410 62.774 62.300 0.106 0.000 1.170 950 V CB -1.077 30.802 31.823 0.093 0.000 1.066 950 V HN 0.385 nan 8.190 nan 0.000 0.469 951 D N 4.907 125.334 120.400 0.045 0.000 4.742 951 D HA -0.260 4.379 4.640 -0.003 0.000 0.284 951 D C -0.407 175.890 176.300 -0.005 0.000 1.470 951 D CA 2.841 56.849 54.000 0.014 0.000 0.932 951 D CB -1.149 39.660 40.800 0.015 0.000 0.901 951 D HN 0.514 nan 8.370 nan 0.000 0.689 952 P HA -0.145 nan 4.420 nan 0.000 0.212 952 P C 1.711 178.987 177.300 -0.040 0.000 1.178 952 P CA 1.138 64.225 63.100 -0.023 0.000 0.915 952 P CB -0.110 31.582 31.700 -0.012 0.000 0.788 953 L N -0.158 121.056 121.223 -0.014 0.000 1.951 953 L HA -0.171 4.167 4.340 -0.003 0.000 0.222 953 L C -0.142 176.752 176.870 0.039 0.000 1.078 953 L CA 2.550 57.402 54.840 0.020 0.000 0.778 953 L CB -2.995 39.103 42.059 0.065 0.000 0.893 953 L HN 0.101 nan 8.230 nan 0.000 0.436 954 P HA -0.276 nan 4.420 nan 0.000 0.218 954 P C 1.740 179.008 177.300 -0.052 0.000 1.152 954 P CA 2.081 65.146 63.100 -0.059 0.000 0.857 954 P CB -0.149 31.479 31.700 -0.120 0.000 0.787 955 M N -0.999 118.568 119.600 -0.055 0.000 2.216 955 M HA -0.034 4.444 4.480 -0.003 0.000 0.264 955 M C 2.328 178.583 176.300 -0.075 0.000 1.080 955 M CA 1.285 56.547 55.300 -0.063 0.000 1.153 955 M CB -0.453 32.111 32.600 -0.059 0.000 1.356 955 M HN -0.204 nan 8.290 nan 0.000 0.432 956 I N 0.150 120.651 120.570 -0.116 0.000 2.151 956 I HA -0.327 3.841 4.170 -0.003 0.000 0.243 956 I C 1.853 177.817 176.117 -0.255 0.000 1.080 956 I CA 1.497 62.670 61.300 -0.212 0.000 1.339 956 I CB -0.572 37.231 38.000 -0.328 0.000 1.039 956 I HN 0.183 nan 8.210 nan 0.000 0.409 957 F N 0.724 120.616 119.950 -0.096 0.000 2.661 957 F HA -0.007 4.518 4.527 -0.003 0.000 0.298 957 F C 1.312 177.054 175.800 -0.096 0.000 1.137 957 F CA 0.509 58.447 58.000 -0.103 0.000 1.454 957 F CB -0.321 38.574 39.000 -0.176 0.000 1.103 957 F HN -0.024 nan 8.300 nan 0.000 0.577 958 K N 0.413 120.836 120.400 0.037 0.000 3.200 958 K HA -0.160 4.159 4.320 -0.003 0.000 0.272 958 K C -1.136 175.431 176.600 -0.056 0.000 1.150 958 K CA 0.092 56.369 56.287 -0.016 0.000 0.801 958 K CB -1.428 31.070 32.500 -0.002 0.000 1.269 958 K HN 0.202 nan 8.250 nan 0.000 0.500 959 L N 0.113 121.290 121.223 -0.077 0.000 2.333 959 L HA 0.643 4.981 4.340 -0.003 0.000 0.263 959 L C -0.244 176.501 176.870 -0.208 0.000 1.014 959 L CA -1.194 53.549 54.840 -0.161 0.000 0.820 959 L CB 1.899 43.851 42.059 -0.178 0.000 1.352 959 L HN -0.129 nan 8.230 nan 0.000 0.421 960 K N 1.296 121.532 120.400 -0.274 0.000 2.482 960 K HA 0.581 4.899 4.320 -0.003 0.000 0.251 960 K C -0.764 175.626 176.600 -0.350 0.000 0.936 960 K CA -0.627 55.489 56.287 -0.286 0.000 0.791 960 K CB 2.202 34.558 32.500 -0.239 0.000 1.213 960 K HN 0.704 nan 8.250 nan 0.000 0.428 961 A N 3.380 125.951 122.820 -0.413 0.000 2.613 961 A HA 0.046 4.364 4.320 -0.003 0.000 0.230 961 A C 0.056 177.485 177.584 -0.259 0.000 1.051 961 A CA 0.441 52.219 52.037 -0.431 0.000 0.754 961 A CB -0.082 18.600 19.000 -0.531 0.000 0.979 961 A HN 0.625 nan 8.150 nan 0.000 0.510 962 L N 0.911 122.003 121.223 -0.218 0.000 2.344 962 L HA 0.359 4.697 4.340 -0.003 0.000 0.272 962 L C 0.170 177.078 176.870 0.063 0.000 1.035 962 L CA -0.748 53.948 54.840 -0.241 0.000 0.807 962 L CB 1.600 43.197 42.059 -0.769 0.000 1.237 962 L HN 0.900 nan 8.230 nan 0.000 0.442 963 D N 0.543 121.001 120.400 0.096 0.000 2.264 963 D HA 0.102 4.740 4.640 -0.003 0.000 0.249 963 D C 0.732 177.210 176.300 0.296 0.000 1.070 963 D CA -0.445 53.674 54.000 0.198 0.000 0.912 963 D CB 1.289 42.184 40.800 0.158 0.000 1.193 963 D HN 0.305 nan 8.370 nan 0.000 0.427 964 L N 2.692 124.092 121.223 0.295 0.000 2.450 964 L HA -0.107 4.231 4.340 -0.003 0.000 0.225 964 L C 1.659 178.684 176.870 0.259 0.000 1.145 964 L CA 1.828 56.845 54.840 0.294 0.000 0.801 964 L CB -0.638 41.539 42.059 0.195 0.000 0.924 964 L HN 0.584 nan 8.230 nan 0.000 0.447 965 T N -1.817 112.877 114.554 0.233 0.000 2.939 965 T HA -0.072 4.276 4.350 -0.003 0.000 0.254 965 T C 1.697 176.550 174.700 0.254 0.000 1.041 965 T CA 0.976 63.206 62.100 0.217 0.000 1.142 965 T CB 0.030 69.017 68.868 0.200 0.000 0.874 965 T HN 0.446 nan 8.240 nan 0.000 0.452 966 Q N 0.073 120.038 119.800 0.275 0.000 2.050 966 Q HA -0.100 4.238 4.340 -0.003 0.000 0.202 966 Q C 2.107 178.206 176.000 0.164 0.000 0.980 966 Q CA 1.373 57.340 55.803 0.273 0.000 0.840 966 Q CB -0.387 28.475 28.738 0.207 0.000 0.898 966 Q HN 0.574 nan 8.270 nan 0.000 0.424 967 W N 0.754 122.116 121.300 0.104 0.000 2.350 967 W HA -0.187 4.471 4.660 -0.003 0.000 0.289 967 W C 1.787 178.331 176.519 0.043 0.000 1.215 967 W CA 0.058 57.449 57.345 0.077 0.000 1.236 967 W CB 0.033 29.564 29.460 0.119 0.000 1.130 967 W HN 0.161 nan 8.180 nan 0.000 0.541 968 L N -0.648 120.756 121.223 0.301 0.000 2.275 968 L HA -0.181 4.157 4.340 -0.003 0.000 0.215 968 L C 2.241 179.150 176.870 0.065 0.000 1.119 968 L CA 1.482 56.421 54.840 0.164 0.000 0.790 968 L CB -0.744 41.396 42.059 0.135 0.000 0.919 968 L HN 0.008 nan 8.230 nan 0.000 0.443 969 M N -2.205 117.388 119.600 -0.012 0.000 2.447 969 M HA -0.012 4.466 4.480 -0.003 0.000 0.264 969 M C 1.846 178.034 176.300 -0.187 0.000 1.095 969 M CA 1.232 56.381 55.300 -0.252 0.000 1.125 969 M CB -0.123 32.059 32.600 -0.697 0.000 1.389 969 M HN -0.012 nan 8.290 nan 0.000 0.459 970 V N 0.256 120.160 119.914 -0.017 0.000 2.229 970 V HA -0.260 3.858 4.120 -0.003 0.000 0.243 970 V C 2.307 178.448 176.094 0.078 0.000 1.042 970 V CA 1.908 64.234 62.300 0.044 0.000 1.000 970 V CB -0.950 31.011 31.823 0.230 0.000 0.637 970 V HN 0.482 nan 8.190 nan 0.000 0.446 971 L N -0.291 121.022 121.223 0.149 0.000 2.137 971 L HA -0.280 4.058 4.340 -0.003 0.000 0.213 971 L C 2.545 179.444 176.870 0.050 0.000 1.085 971 L CA 1.819 56.720 54.840 0.101 0.000 0.760 971 L CB -0.889 41.226 42.059 0.093 0.000 0.893 971 L HN 0.369 nan 8.230 nan 0.000 0.434 972 K N -0.001 120.406 120.400 0.012 0.000 2.148 972 K HA -0.091 4.227 4.320 -0.003 0.000 0.204 972 K C 1.798 178.389 176.600 -0.014 0.000 1.050 972 K CA 1.175 57.451 56.287 -0.019 0.000 0.942 972 K CB 0.073 32.529 32.500 -0.075 0.000 0.724 972 K HN 0.285 nan 8.250 nan 0.000 0.446 973 I N -0.044 120.508 120.570 -0.031 0.000 3.941 973 I HA 0.001 4.169 4.170 -0.003 0.000 0.335 973 I C 0.639 176.789 176.117 0.056 0.000 1.402 973 I CA 0.098 61.394 61.300 -0.007 0.000 1.112 973 I CB 0.530 38.461 38.000 -0.116 0.000 1.043 973 I HN -0.021 nan 8.210 nan 0.000 0.395 974 S N -0.067 115.681 115.700 0.080 0.000 3.066 974 S HA 0.166 4.634 4.470 -0.003 0.000 0.235 974 S C 1.552 176.234 174.600 0.137 0.000 0.995 974 S CA -0.140 58.128 58.200 0.113 0.000 0.835 974 S CB -0.017 63.237 63.200 0.089 0.000 0.814 974 S HN 0.148 nan 8.310 nan 0.000 0.594 975 L N 3.113 124.391 121.223 0.092 0.000 2.103 975 L HA -0.114 4.224 4.340 -0.003 0.000 0.215 975 L C -0.786 176.113 176.870 0.048 0.000 1.080 975 L CA 1.981 56.860 54.840 0.065 0.000 0.764 975 L CB -2.628 39.459 42.059 0.046 0.000 0.890 975 L HN 0.291 nan 8.230 nan 0.000 0.435 976 P HA -0.143 nan 4.420 nan 0.000 0.221 976 P C 2.017 179.250 177.300 -0.112 0.000 1.145 976 P CA 0.955 64.042 63.100 -0.022 0.000 0.795 976 P CB -0.057 31.641 31.700 -0.003 0.000 0.775 977 V N 0.416 120.307 119.914 -0.039 0.000 2.392 977 V HA -0.236 3.882 4.120 -0.003 0.000 0.249 977 V C 2.431 178.484 176.094 -0.069 0.000 1.059 977 V CA 1.506 63.752 62.300 -0.091 0.000 1.051 977 V CB -0.995 30.904 31.823 0.127 0.000 0.658 977 V HN -0.036 nan 8.190 nan 0.000 0.455 978 I N 0.393 120.951 120.570 -0.020 0.000 2.335 978 I HA -0.187 3.982 4.170 -0.003 0.000 0.251 978 I C 2.437 178.532 176.117 -0.036 0.000 1.129 978 I CA 1.637 62.928 61.300 -0.015 0.000 1.402 978 I CB -0.861 37.139 38.000 -0.001 0.000 1.069 978 I HN 0.474 nan 8.210 nan 0.000 0.424 979 G N 0.672 109.437 108.800 -0.058 0.000 2.408 979 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.215 979 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.215 979 G C 1.608 176.462 174.900 -0.077 0.000 1.156 979 G CA 0.240 45.303 45.100 -0.062 0.000 0.793 979 G HN 0.262 nan 8.290 nan 0.000 0.535 980 L N 0.994 122.138 121.223 -0.132 0.000 2.017 980 L HA -0.016 4.322 4.340 -0.003 0.000 0.208 980 L C 2.101 178.912 176.870 -0.099 0.000 1.073 980 L CA 2.628 57.376 54.840 -0.153 0.000 0.745 980 L CB -0.584 41.304 42.059 -0.284 0.000 0.894 980 L HN 0.185 nan 8.230 nan 0.000 0.432 981 D N -0.918 119.430 120.400 -0.087 0.000 2.144 981 D HA -0.197 4.441 4.640 -0.003 0.000 0.200 981 D C 2.079 178.380 176.300 0.002 0.000 0.978 981 D CA 0.910 54.871 54.000 -0.064 0.000 0.833 981 D CB 0.098 40.872 40.800 -0.042 0.000 0.961 981 D HN 0.394 nan 8.370 nan 0.000 0.470 982 E N -0.066 120.141 120.200 0.011 0.000 2.118 982 E HA -0.134 4.214 4.350 -0.003 0.000 0.195 982 E C 2.150 178.821 176.600 0.118 0.000 0.992 982 E CA 0.819 57.250 56.400 0.051 0.000 0.804 982 E CB -0.189 29.522 29.700 0.019 0.000 0.741 982 E HN 0.419 nan 8.360 nan 0.000 0.458 983 I N -0.257 120.366 120.570 0.089 0.000 2.142 983 I HA -0.296 3.872 4.170 -0.003 0.000 0.240 983 I C 2.122 178.409 176.117 0.284 0.000 1.078 983 I CA 0.972 62.368 61.300 0.159 0.000 1.343 983 I CB -0.344 37.706 38.000 0.084 0.000 1.046 983 I HN 0.121 nan 8.210 nan 0.000 0.405 984 L N 0.540 121.881 121.223 0.196 0.000 2.083 984 L HA -0.218 4.121 4.340 -0.003 0.000 0.209 984 L C 2.539 179.664 176.870 0.424 0.000 1.083 984 L CA 1.600 56.616 54.840 0.293 0.000 0.752 984 L CB -0.613 41.407 42.059 -0.066 0.000 0.899 984 L HN 0.137 nan 8.230 nan 0.000 0.433 985 K N -0.733 119.815 120.400 0.247 0.000 2.026 985 K HA -0.201 4.118 4.320 -0.003 0.000 0.208 985 K C 2.136 178.861 176.600 0.208 0.000 1.048 985 K CA 1.656 58.072 56.287 0.215 0.000 0.929 985 K CB -0.379 32.200 32.500 0.131 0.000 0.713 985 K HN 0.102 nan 8.250 nan 0.000 0.439 986 F N 2.087 122.097 119.950 0.100 0.000 2.095 986 F HA -0.189 4.337 4.527 -0.003 0.000 0.298 986 F C 1.877 177.720 175.800 0.073 0.000 1.104 986 F CA 1.409 59.446 58.000 0.061 0.000 1.232 986 F CB -0.232 38.812 39.000 0.073 0.000 0.987 986 F HN -0.110 nan 8.300 nan 0.000 0.475 987 I N 0.321 121.070 120.570 0.299 0.000 2.399 987 I HA -0.329 3.840 4.170 -0.003 0.000 0.254 987 I C 2.519 178.564 176.117 -0.120 0.000 1.146 987 I CA 1.111 62.553 61.300 0.238 0.000 1.412 987 I CB -0.919 37.367 38.000 0.475 0.000 1.076 987 I HN 0.298 nan 8.210 nan 0.000 0.432 988 A N 0.643 123.388 122.820 -0.125 0.000 1.878 988 A HA -0.071 4.248 4.320 -0.003 0.000 0.213 988 A C 2.416 179.817 177.584 -0.305 0.000 1.192 988 A CA 0.772 52.603 52.037 -0.343 0.000 0.619 988 A CB -0.392 18.545 19.000 -0.105 0.000 0.837 988 A HN 0.206 nan 8.150 nan 0.000 0.446 989 R N -0.166 120.176 120.500 -0.263 0.000 2.083 989 R HA -0.167 4.171 4.340 -0.003 0.000 0.237 989 R C 1.820 177.874 176.300 -0.409 0.000 1.137 989 R CA 2.103 58.030 56.100 -0.288 0.000 0.951 989 R CB -0.290 29.856 30.300 -0.256 0.000 0.851 989 R HN 0.642 nan 8.270 nan 0.000 0.434 990 N N -0.937 117.367 118.700 -0.661 0.000 2.335 990 N HA -0.058 4.680 4.740 -0.003 0.000 0.197 990 N C 0.863 175.969 175.510 -0.673 0.000 1.045 990 N CA 0.912 53.474 53.050 -0.813 0.000 0.928 990 N CB -0.327 37.323 38.487 -1.394 0.000 1.118 990 N HN 0.124 nan 8.380 nan 0.000 0.471 991 Y N 0.419 120.540 120.300 -0.298 0.000 2.488 991 Y HA 0.317 4.865 4.550 -0.003 0.000 0.319 991 Y C 0.561 176.307 175.900 -0.256 0.000 1.212 991 Y CA 0.261 58.230 58.100 -0.217 0.000 1.273 991 Y CB -0.326 38.041 38.460 -0.155 0.000 1.074 991 Y HN 0.051 nan 8.280 nan 0.000 0.503 992 L N -0.129 120.949 121.223 -0.242 0.000 3.439 992 L HA 0.267 4.605 4.340 -0.003 0.000 0.313 992 L C -0.201 176.530 176.870 -0.231 0.000 1.292 992 L CA 0.063 54.727 54.840 -0.293 0.000 1.020 992 L CB 0.660 42.397 42.059 -0.536 0.000 1.424 992 L HN -0.084 nan 8.230 nan 0.000 0.612 993 E N 1.518 121.604 120.200 -0.190 0.000 2.183 993 E HA 0.693 5.041 4.350 -0.003 0.000 0.250 993 E C -0.021 176.514 176.600 -0.108 0.000 0.901 993 E CA -0.071 56.240 56.400 -0.147 0.000 0.741 993 E CB 2.051 31.657 29.700 -0.158 0.000 1.182 993 E HN 0.288 nan 8.360 nan 0.000 0.425 994 G N 0.000 108.749 108.800 -0.085 0.000 5.446 994 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 994 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 994 G CA 0.000 45.063 45.100 -0.061 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925