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 1wpg_1_B 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 0.000 176.171 176.300 -0.216 0.000 1.140 1 M CA 0.000 55.087 55.300 -0.354 0.000 0.988 1 M CB 0.000 32.254 32.600 -0.578 0.000 1.302 2 E N 2.250 122.335 120.200 -0.192 0.000 2.280 2 E HA 0.737 5.088 4.350 0.001 0.000 0.261 2 E C 0.637 177.178 176.600 -0.099 0.000 1.088 2 E CA 0.309 56.658 56.400 -0.086 0.000 0.915 2 E CB 1.213 30.892 29.700 -0.035 0.000 1.141 2 E HN 0.887 nan 8.360 nan 0.000 0.433 3 A N 0.579 123.391 122.820 -0.013 0.000 2.799 3 A HA -0.293 4.028 4.320 0.001 0.000 0.287 3 A C 1.404 178.910 177.584 -0.130 0.000 1.484 3 A CA 1.072 53.074 52.037 -0.059 0.000 0.813 3 A CB -2.199 16.734 19.000 -0.112 0.000 1.009 3 A HN 0.688 nan 8.150 nan 0.000 0.545 4 A N 0.220 123.019 122.820 -0.035 0.000 1.972 4 A HA -0.127 4.194 4.320 0.001 0.000 0.219 4 A C 1.853 179.425 177.584 -0.020 0.000 1.169 4 A CA 1.958 53.969 52.037 -0.044 0.000 0.635 4 A CB -0.882 18.112 19.000 -0.011 0.000 0.810 4 A HN 1.555 nan 8.150 nan 0.000 0.446 5 H N 0.005 119.071 119.070 -0.006 0.000 2.423 5 H HA -0.054 4.503 4.556 0.001 0.000 0.297 5 H C 1.827 177.172 175.328 0.029 0.000 1.075 5 H CA 1.812 57.868 56.048 0.015 0.000 1.342 5 H CB -0.651 29.137 29.762 0.044 0.000 1.395 5 H HN 0.547 nan 8.280 nan 0.000 0.530 6 S N 0.077 115.375 115.700 -0.670 0.000 2.524 6 S HA 0.119 4.589 4.470 0.001 0.000 0.216 6 S C 0.818 175.312 174.600 -0.177 0.000 0.987 6 S CA -0.538 57.419 58.200 -0.405 0.000 0.909 6 S CB 0.295 63.204 63.200 -0.485 0.000 0.781 6 S HN 0.232 nan 8.310 nan 0.000 0.521 7 K N 2.520 122.832 120.400 -0.147 0.000 2.126 7 K HA 0.359 4.680 4.320 0.001 0.000 0.257 7 K C 0.415 176.996 176.600 -0.031 0.000 1.007 7 K CA -0.090 56.152 56.287 -0.075 0.000 0.928 7 K CB 0.910 33.367 32.500 -0.072 0.000 1.013 7 K HN 0.432 nan 8.250 nan 0.000 0.473 8 S N -0.054 115.640 115.700 -0.011 0.000 2.645 8 S HA 0.054 4.525 4.470 0.001 0.000 0.266 8 S C 1.251 175.862 174.600 0.018 0.000 1.258 8 S CA -0.566 57.639 58.200 0.007 0.000 0.990 8 S CB 1.368 64.573 63.200 0.008 0.000 0.967 8 S HN 0.560 nan 8.310 nan 0.000 0.556 9 T N 1.187 115.757 114.554 0.026 0.000 2.684 9 T HA -0.106 4.245 4.350 0.001 0.000 0.267 9 T C 1.565 176.288 174.700 0.039 0.000 1.036 9 T CA 2.139 64.258 62.100 0.032 0.000 1.148 9 T CB -0.708 68.177 68.868 0.028 0.000 0.863 9 T HN 0.759 nan 8.240 nan 0.000 0.436 10 E N 1.057 121.275 120.200 0.032 0.000 2.085 10 E HA -0.116 4.235 4.350 0.001 0.000 0.194 10 E C 2.239 178.869 176.600 0.050 0.000 0.994 10 E CA 1.243 57.665 56.400 0.036 0.000 0.801 10 E CB -0.176 29.539 29.700 0.025 0.000 0.743 10 E HN 0.608 nan 8.360 nan 0.000 0.453 11 E N -0.253 119.972 120.200 0.042 0.000 2.110 11 E HA -0.173 4.178 4.350 0.001 0.000 0.193 11 E C 2.089 178.741 176.600 0.087 0.000 0.988 11 E CA 1.162 57.593 56.400 0.052 0.000 0.804 11 E CB -0.194 29.521 29.700 0.025 0.000 0.745 11 E HN 0.291 nan 8.360 nan 0.000 0.458 12 C N 0.724 120.072 119.300 0.081 0.000 2.453 12 C HA -0.081 4.380 4.460 0.001 0.000 0.277 12 C C 2.615 177.751 174.990 0.244 0.000 1.262 12 C CA 0.341 59.440 59.018 0.134 0.000 1.718 12 C CB -0.883 26.920 27.740 0.105 0.000 2.031 12 C HN 0.390 nan 8.230 nan 0.000 0.480 13 L N 1.192 122.518 121.223 0.172 0.000 2.017 13 L HA -0.163 4.178 4.340 0.001 0.000 0.208 13 L C 2.877 179.858 176.870 0.185 0.000 1.073 13 L CA 1.716 56.661 54.840 0.176 0.000 0.745 13 L CB -0.765 41.354 42.059 0.101 0.000 0.894 13 L HN 0.334 nan 8.230 nan 0.000 0.432 14 A N -1.070 121.831 122.820 0.135 0.000 2.015 14 A HA -0.268 4.052 4.320 0.001 0.000 0.219 14 A C 2.157 179.800 177.584 0.098 0.000 1.163 14 A CA 1.251 53.348 52.037 0.099 0.000 0.646 14 A CB -0.794 18.245 19.000 0.065 0.000 0.806 14 A HN 0.509 nan 8.150 nan 0.000 0.448 15 Y N -0.981 119.309 120.300 -0.018 0.000 2.242 15 Y HA -0.140 4.410 4.550 0.001 0.000 0.291 15 Y C 1.499 177.269 175.900 -0.217 0.000 1.137 15 Y CA 1.874 59.875 58.100 -0.165 0.000 1.181 15 Y CB -0.182 38.098 38.460 -0.301 0.000 0.989 15 Y HN 0.279 nan 8.280 nan 0.000 0.527 16 F N -0.218 119.843 119.950 0.186 0.000 2.749 16 F HA 0.289 4.817 4.527 0.001 0.000 0.300 16 F C 1.687 177.531 175.800 0.073 0.000 1.103 16 F CA 0.436 58.517 58.000 0.134 0.000 1.342 16 F CB 0.116 39.253 39.000 0.229 0.000 1.098 16 F HN 0.070 nan 8.300 nan 0.000 0.586 17 G N 2.016 110.930 108.800 0.191 0.000 2.338 17 G HA2 -0.202 3.758 3.960 0.001 0.000 0.296 17 G HA3 -0.202 3.758 3.960 0.001 0.000 0.296 17 G C -0.437 174.538 174.900 0.125 0.000 1.040 17 G CA 0.419 45.589 45.100 0.116 0.000 1.004 17 G HN 0.320 nan 8.290 nan 0.000 0.509 18 V N -0.553 119.450 119.914 0.148 0.000 2.823 18 V HA 0.868 4.989 4.120 0.001 0.000 0.312 18 V C 0.435 176.573 176.094 0.073 0.000 1.072 18 V CA 0.032 62.394 62.300 0.103 0.000 0.937 18 V CB 2.132 34.018 31.823 0.105 0.000 1.013 18 V HN 1.051 nan 8.190 nan 0.000 0.430 19 S N 3.027 118.753 115.700 0.042 0.000 2.554 19 S HA 0.296 4.767 4.470 0.001 0.000 0.278 19 S C 0.904 175.508 174.600 0.006 0.000 1.242 19 S CA 0.241 58.455 58.200 0.022 0.000 1.051 19 S CB 1.383 64.588 63.200 0.008 0.000 0.986 19 S HN 0.969 nan 8.310 nan 0.000 0.502 20 E N 1.948 122.144 120.200 -0.007 0.000 2.265 20 E HA -0.118 4.233 4.350 0.001 0.000 0.196 20 E C 1.003 177.550 176.600 -0.089 0.000 0.996 20 E CA 1.528 57.908 56.400 -0.033 0.000 0.832 20 E CB -0.044 29.637 29.700 -0.032 0.000 0.756 20 E HN 0.846 nan 8.360 nan 0.000 0.491 21 T N -2.884 111.621 114.554 -0.081 0.000 3.145 21 T HA 0.089 4.440 4.350 0.001 0.000 0.255 21 T C 1.178 175.828 174.700 -0.083 0.000 1.039 21 T CA 0.454 62.480 62.100 -0.123 0.000 0.928 21 T CB 0.712 69.524 68.868 -0.094 0.000 1.029 21 T HN 0.128 nan 8.240 nan 0.000 0.554 22 T N -1.386 113.146 114.554 -0.036 0.000 3.254 22 T HA 0.536 4.887 4.350 0.001 0.000 0.267 22 T C 1.137 175.862 174.700 0.041 0.000 0.946 22 T CA 1.041 63.144 62.100 0.006 0.000 0.991 22 T CB 0.190 69.062 68.868 0.006 0.000 1.205 22 T HN 1.230 nan 8.240 nan 0.000 0.494 23 G N 1.562 110.382 108.800 0.033 0.000 2.757 23 G HA2 -0.046 3.915 3.960 0.001 0.000 0.638 23 G HA3 -0.046 3.915 3.960 0.001 0.000 0.638 23 G C -0.680 174.232 174.900 0.019 0.000 1.344 23 G CA -0.479 44.647 45.100 0.043 0.000 0.855 23 G HN 0.711 nan 8.290 nan 0.000 0.537 24 L N 0.806 122.027 121.223 -0.003 0.000 2.467 24 L HA 0.427 4.768 4.340 0.001 0.000 0.270 24 L C 1.836 178.687 176.870 -0.032 0.000 1.205 24 L CA 0.244 55.063 54.840 -0.034 0.000 0.828 24 L CB 0.428 42.435 42.059 -0.087 0.000 1.101 24 L HN 1.019 nan 8.230 nan 0.000 0.479 25 T N -1.623 112.905 114.554 -0.044 0.000 2.899 25 T HA 0.240 4.591 4.350 0.001 0.000 0.284 25 T C -1.932 172.738 174.700 -0.049 0.000 1.004 25 T CA -1.795 60.285 62.100 -0.034 0.000 1.043 25 T CB 1.465 70.317 68.868 -0.028 0.000 1.013 25 T HN 0.335 nan 8.240 nan 0.000 0.518 26 P HA -0.067 nan 4.420 nan 0.000 0.218 26 P C 1.001 178.276 177.300 -0.041 0.000 1.148 26 P CA 0.915 63.995 63.100 -0.033 0.000 0.822 26 P CB 0.074 31.764 31.700 -0.018 0.000 0.784 27 D N -1.123 119.253 120.400 -0.040 0.000 2.149 27 D HA -0.112 4.529 4.640 0.001 0.000 0.201 27 D C 2.036 178.294 176.300 -0.071 0.000 0.972 27 D CA 0.977 54.953 54.000 -0.039 0.000 0.835 27 D CB -0.385 40.400 40.800 -0.025 0.000 0.966 27 D HN 0.286 nan 8.370 nan 0.000 0.476 28 Q N 0.300 120.032 119.800 -0.113 0.000 2.084 28 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 28 Q C 2.376 178.169 176.000 -0.345 0.000 0.978 28 Q CA 0.824 56.483 55.803 -0.240 0.000 0.844 28 Q CB 0.044 28.624 28.738 -0.264 0.000 0.898 28 Q HN 0.128 nan 8.270 nan 0.000 0.426 29 V N 1.408 121.199 119.914 -0.206 0.000 2.332 29 V HA -0.289 3.831 4.120 0.001 0.000 0.248 29 V C 2.107 178.173 176.094 -0.046 0.000 1.055 29 V CA 1.808 64.035 62.300 -0.122 0.000 1.038 29 V CB -0.433 31.350 31.823 -0.067 0.000 0.651 29 V HN 0.316 nan 8.190 nan 0.000 0.450 30 K N -0.306 120.069 120.400 -0.041 0.000 2.057 30 K HA -0.212 4.109 4.320 0.001 0.000 0.207 30 K C 2.368 178.975 176.600 0.012 0.000 1.049 30 K CA 1.488 57.768 56.287 -0.012 0.000 0.931 30 K CB -0.220 32.275 32.500 -0.009 0.000 0.714 30 K HN 0.209 nan 8.250 nan 0.000 0.440 31 R N 0.882 121.391 120.500 0.014 0.000 2.073 31 R HA -0.100 4.240 4.340 0.001 0.000 0.234 31 R C 1.906 178.304 176.300 0.164 0.000 1.134 31 R CA 1.730 57.869 56.100 0.065 0.000 0.952 31 R CB -0.479 29.863 30.300 0.070 0.000 0.850 31 R HN 0.422 nan 8.270 nan 0.000 0.433 32 H N -0.949 118.159 119.070 0.064 0.000 2.353 32 H HA -0.112 4.445 4.556 0.001 0.000 0.300 32 H C 1.732 177.133 175.328 0.121 0.000 1.090 32 H CA 1.021 57.174 56.048 0.174 0.000 1.327 32 H CB 0.081 30.006 29.762 0.273 0.000 1.383 32 H HN 0.098 nan 8.280 nan 0.000 0.508 33 L N 1.236 122.551 121.223 0.154 0.000 2.127 33 L HA -0.165 4.176 4.340 0.001 0.000 0.211 33 L C 2.195 179.051 176.870 -0.024 0.000 1.089 33 L CA 1.653 56.486 54.840 -0.012 0.000 0.757 33 L CB -0.253 41.734 42.059 -0.120 0.000 0.899 33 L HN 0.184 nan 8.230 nan 0.000 0.434 34 E N -0.829 119.373 120.200 0.003 0.000 2.250 34 E HA -0.154 4.197 4.350 0.001 0.000 0.192 34 E C 2.189 178.760 176.600 -0.050 0.000 0.986 34 E CA 0.908 57.304 56.400 -0.006 0.000 0.849 34 E CB -0.021 29.679 29.700 0.001 0.000 0.797 34 E HN 0.402 nan 8.360 nan 0.000 0.482 35 K N -1.075 119.251 120.400 -0.123 0.000 2.076 35 K HA -0.072 4.249 4.320 0.001 0.000 0.204 35 K C 0.975 177.326 176.600 -0.414 0.000 1.051 35 K CA 1.067 57.151 56.287 -0.339 0.000 0.949 35 K CB -0.010 32.145 32.500 -0.576 0.000 0.726 35 K HN 0.224 nan 8.250 nan 0.000 0.443 36 Y N -0.201 120.114 120.300 0.026 0.000 2.444 36 Y HA 0.264 4.814 4.550 0.001 0.000 0.249 36 Y C 0.896 176.810 175.900 0.024 0.000 1.134 36 Y CA -0.068 58.045 58.100 0.022 0.000 1.261 36 Y CB 1.142 39.613 38.460 0.017 0.000 1.143 36 Y HN 0.268 nan 8.280 nan 0.000 0.523 37 G N 0.370 109.242 108.800 0.120 0.000 2.828 37 G HA2 -0.257 3.704 3.960 0.001 0.000 0.463 37 G HA3 -0.257 3.704 3.960 0.001 0.000 0.463 37 G C -1.018 173.912 174.900 0.049 0.000 1.394 37 G CA -0.801 44.360 45.100 0.101 0.000 0.862 37 G HN 0.389 nan 8.290 nan 0.000 0.540 38 H N -0.269 118.848 119.070 0.078 0.000 2.615 38 H HA 0.409 4.966 4.556 0.001 0.000 0.363 38 H C 1.049 176.414 175.328 0.061 0.000 1.148 38 H CA 0.526 56.613 56.048 0.066 0.000 1.401 38 H CB 0.727 30.517 29.762 0.046 0.000 1.461 38 H HN 0.585 nan 8.280 nan 0.000 0.588 39 N N 2.187 120.975 118.700 0.146 0.000 2.895 39 N HA 0.033 4.774 4.740 0.001 0.000 0.277 39 N C -1.110 174.460 175.510 0.100 0.000 1.185 39 N CA 0.092 53.200 53.050 0.095 0.000 1.106 39 N CB -0.139 38.383 38.487 0.059 0.000 1.422 39 N HN 0.557 nan 8.380 nan 0.000 0.521 40 E N 0.483 120.744 120.200 0.102 0.000 2.383 40 E HA 0.332 4.683 4.350 0.001 0.000 0.275 40 E C -1.421 175.218 176.600 0.065 0.000 0.918 40 E CA -0.939 55.508 56.400 0.078 0.000 0.764 40 E CB 1.511 31.256 29.700 0.076 0.000 1.252 40 E HN 0.125 nan 8.360 nan 0.000 0.449 41 L N 3.800 125.054 121.223 0.052 0.000 2.264 41 L HA 0.351 4.691 4.340 0.001 0.000 0.289 41 L C -2.237 174.655 176.870 0.036 0.000 1.044 41 L CA -2.120 52.746 54.840 0.044 0.000 0.807 41 L CB 0.692 42.777 42.059 0.044 0.000 1.192 41 L HN 0.314 nan 8.230 nan 0.000 0.425 42 P HA 0.105 nan 4.420 nan 0.000 0.263 42 P C -0.699 176.613 177.300 0.019 0.000 1.195 42 P CA -0.281 62.834 63.100 0.025 0.000 0.762 42 P CB 0.716 32.432 31.700 0.026 0.000 0.799 43 A N 3.335 126.163 122.820 0.014 0.000 2.366 43 A HA 0.171 4.492 4.320 0.001 0.000 0.249 43 A C 0.313 177.901 177.584 0.008 0.000 1.084 43 A CA -0.390 51.654 52.037 0.010 0.000 0.794 43 A CB 0.039 19.042 19.000 0.006 0.000 1.034 43 A HN 0.632 nan 8.150 nan 0.000 0.491 44 E N 1.160 121.364 120.200 0.006 0.000 2.073 44 E HA 0.223 4.574 4.350 0.001 0.000 0.269 44 E C -0.733 175.868 176.600 0.002 0.000 0.917 44 E CA -0.247 56.155 56.400 0.004 0.000 0.757 44 E CB 0.442 30.143 29.700 0.001 0.000 1.111 44 E HN 0.697 nan 8.360 nan 0.000 0.410 45 E N 2.363 122.565 120.200 0.003 0.000 2.376 45 E HA 0.154 4.505 4.350 0.001 0.000 0.266 45 E C 0.230 176.832 176.600 0.003 0.000 1.009 45 E CA -0.158 56.244 56.400 0.004 0.000 0.902 45 E CB 1.036 30.740 29.700 0.008 0.000 0.972 45 E HN 0.542 nan 8.360 nan 0.000 0.439 46 G N 2.629 111.430 108.800 0.002 0.000 2.537 46 G HA2 0.143 4.104 3.960 0.001 0.000 0.273 46 G HA3 0.143 4.104 3.960 0.001 0.000 0.273 46 G C -0.360 174.544 174.900 0.007 0.000 1.189 46 G CA -0.634 44.466 45.100 -0.001 0.000 0.881 46 G HN 0.353 nan 8.290 nan 0.000 0.535 47 K N 0.644 121.046 120.400 0.004 0.000 2.401 47 K HA 0.185 4.506 4.320 0.001 0.000 0.278 47 K C 1.086 177.702 176.600 0.026 0.000 1.018 47 K CA -0.038 56.256 56.287 0.012 0.000 0.981 47 K CB 0.636 33.136 32.500 -0.000 0.000 0.933 47 K HN 0.639 nan 8.250 nan 0.000 0.477 48 S N 2.427 118.157 115.700 0.051 0.000 2.587 48 S HA -0.036 4.435 4.470 0.001 0.000 0.260 48 S C 1.188 175.845 174.600 0.094 0.000 1.353 48 S CA -0.659 57.588 58.200 0.079 0.000 0.995 48 S CB 0.517 63.787 63.200 0.116 0.000 0.912 48 S HN 0.590 nan 8.310 nan 0.000 0.568 49 L N 0.898 122.192 121.223 0.119 0.000 2.042 49 L HA -0.010 4.331 4.340 0.001 0.000 0.210 49 L C 2.092 179.082 176.870 0.199 0.000 1.076 49 L CA 1.700 56.620 54.840 0.133 0.000 0.749 49 L CB -0.771 41.373 42.059 0.140 0.000 0.893 49 L HN 0.904 nan 8.230 nan 0.000 0.432 50 W N 0.198 121.514 121.300 0.026 0.000 2.381 50 W HA -0.251 4.410 4.660 0.001 0.000 0.301 50 W C 2.311 178.852 176.519 0.036 0.000 1.205 50 W CA 1.383 58.749 57.345 0.035 0.000 1.285 50 W CB 0.090 29.567 29.460 0.028 0.000 1.133 50 W HN 0.322 nan 8.180 nan 0.000 0.521 51 E N 0.978 121.214 120.200 0.060 0.000 2.118 51 E HA -0.231 4.120 4.350 0.001 0.000 0.195 51 E C 2.161 178.696 176.600 -0.109 0.000 0.992 51 E CA 1.844 58.211 56.400 -0.055 0.000 0.804 51 E CB -0.923 28.789 29.700 0.020 0.000 0.741 51 E HN 0.358 nan 8.360 nan 0.000 0.458 52 L N -0.616 120.567 121.223 -0.066 0.000 2.093 52 L HA -0.139 4.201 4.340 0.001 0.000 0.208 52 L C 2.409 179.196 176.870 -0.138 0.000 1.085 52 L CA 0.857 55.651 54.840 -0.078 0.000 0.755 52 L CB -0.412 41.626 42.059 -0.034 0.000 0.904 52 L HN 0.086 nan 8.230 nan 0.000 0.435 53 V N 0.352 120.159 119.914 -0.179 0.000 2.270 53 V HA -0.276 3.844 4.120 0.001 0.000 0.245 53 V C 2.328 178.266 176.094 -0.260 0.000 1.043 53 V CA 1.823 63.985 62.300 -0.230 0.000 1.014 53 V CB -0.399 31.268 31.823 -0.261 0.000 0.645 53 V HN 0.319 nan 8.190 nan 0.000 0.447 54 I N 0.139 120.484 120.570 -0.376 0.000 2.315 54 I HA -0.274 3.897 4.170 0.001 0.000 0.251 54 I C 2.380 178.431 176.117 -0.111 0.000 1.125 54 I CA 1.671 62.824 61.300 -0.244 0.000 1.392 54 I CB -0.522 37.282 38.000 -0.328 0.000 1.065 54 I HN 0.423 nan 8.210 nan 0.000 0.424 55 E N 0.340 120.452 120.200 -0.147 0.000 2.358 55 E HA -0.137 4.213 4.350 0.001 0.000 0.195 55 E C 1.878 178.379 176.600 -0.165 0.000 1.010 55 E CA 0.358 56.688 56.400 -0.116 0.000 0.856 55 E CB 0.052 29.693 29.700 -0.099 0.000 0.795 55 E HN 0.504 nan 8.360 nan 0.000 0.504 56 Q N -0.598 119.024 119.800 -0.297 0.000 2.435 56 Q HA -0.027 4.313 4.340 0.001 0.000 0.207 56 Q C 0.518 176.135 176.000 -0.637 0.000 0.956 56 Q CA 0.755 56.262 55.803 -0.493 0.000 0.917 56 Q CB 0.163 28.487 28.738 -0.691 0.000 0.997 56 Q HN 0.300 nan 8.270 nan 0.000 0.497 57 F N -0.185 119.711 119.950 -0.089 0.000 2.791 57 F HA 0.266 4.794 4.527 0.001 0.000 0.308 57 F C 1.325 177.086 175.800 -0.066 0.000 1.138 57 F CA -0.356 57.599 58.000 -0.076 0.000 1.294 57 F CB 0.527 39.471 39.000 -0.093 0.000 0.975 57 F HN 0.002 nan 8.300 nan 0.000 0.512 58 E N -0.348 119.872 120.200 0.034 0.000 2.276 58 E HA -0.058 4.293 4.350 0.001 0.000 0.193 58 E C 0.325 176.932 176.600 0.012 0.000 0.983 58 E CA 0.040 56.450 56.400 0.017 0.000 0.861 58 E CB 0.155 29.846 29.700 -0.015 0.000 0.817 58 E HN 0.241 nan 8.360 nan 0.000 0.485 59 D N 0.610 121.012 120.400 0.003 0.000 2.472 59 D HA -0.098 4.543 4.640 0.001 0.000 0.237 59 D C 0.877 177.186 176.300 0.015 0.000 1.141 59 D CA -0.107 53.897 54.000 0.005 0.000 0.875 59 D CB 0.912 41.712 40.800 -0.000 0.000 1.192 59 D HN -0.124 nan 8.370 nan 0.000 0.450 60 L N 4.589 125.814 121.223 0.003 0.000 1.976 60 L HA -0.113 4.228 4.340 0.001 0.000 0.209 60 L C 1.914 178.780 176.870 -0.007 0.000 1.071 60 L CA 1.618 56.453 54.840 -0.008 0.000 0.746 60 L CB -0.616 41.428 42.059 -0.026 0.000 0.890 60 L HN 0.694 nan 8.230 nan 0.000 0.432 61 L N -1.452 119.768 121.223 -0.006 0.000 2.079 61 L HA -0.222 4.118 4.340 0.001 0.000 0.210 61 L C 2.431 179.314 176.870 0.022 0.000 1.081 61 L CA 1.156 55.995 54.840 -0.002 0.000 0.752 61 L CB -0.853 41.215 42.059 0.014 0.000 0.896 61 L HN 0.165 nan 8.230 nan 0.000 0.433 62 V N -0.242 119.695 119.914 0.039 0.000 2.490 62 V HA -0.246 3.875 4.120 0.001 0.000 0.250 62 V C 2.605 178.752 176.094 0.089 0.000 1.061 62 V CA 1.586 63.930 62.300 0.074 0.000 1.064 62 V CB -0.651 31.222 31.823 0.083 0.000 0.670 62 V HN 0.419 nan 8.190 nan 0.000 0.461 63 R N -0.533 120.002 120.500 0.058 0.000 2.062 63 R HA -0.007 4.334 4.340 0.001 0.000 0.226 63 R C 2.263 178.565 176.300 0.003 0.000 1.125 63 R CA 1.114 57.234 56.100 0.033 0.000 0.966 63 R CB -0.238 30.072 30.300 0.016 0.000 0.861 63 R HN 0.332 nan 8.270 nan 0.000 0.433 64 I N 0.931 121.497 120.570 -0.007 0.000 2.286 64 I HA -0.237 3.934 4.170 0.001 0.000 0.248 64 I C 2.244 178.353 176.117 -0.012 0.000 1.115 64 I CA 1.153 62.439 61.300 -0.024 0.000 1.392 64 I CB -0.815 37.162 38.000 -0.038 0.000 1.065 64 I HN 0.165 nan 8.210 nan 0.000 0.418 65 L N 0.057 121.285 121.223 0.008 0.000 2.217 65 L HA -0.122 4.218 4.340 0.001 0.000 0.211 65 L C 2.208 179.093 176.870 0.025 0.000 1.107 65 L CA 1.255 56.109 54.840 0.022 0.000 0.783 65 L CB -0.540 41.543 42.059 0.040 0.000 0.919 65 L HN 0.129 nan 8.230 nan 0.000 0.442 66 L N -1.594 119.640 121.223 0.019 0.000 2.095 66 L HA -0.081 4.260 4.340 0.001 0.000 0.204 66 L C 2.200 179.057 176.870 -0.021 0.000 1.080 66 L CA 1.361 56.198 54.840 -0.005 0.000 0.759 66 L CB -0.558 41.483 42.059 -0.030 0.000 0.914 66 L HN 0.272 nan 8.230 nan 0.000 0.439 67 L N 0.075 121.284 121.223 -0.024 0.000 2.017 67 L HA -0.095 4.246 4.340 0.001 0.000 0.208 67 L C 2.481 179.342 176.870 -0.015 0.000 1.073 67 L CA 2.114 56.937 54.840 -0.030 0.000 0.745 67 L CB -1.000 41.032 42.059 -0.044 0.000 0.894 67 L HN 0.257 nan 8.230 nan 0.000 0.432 68 A N -0.622 122.191 122.820 -0.012 0.000 1.972 68 A HA -0.079 4.242 4.320 0.001 0.000 0.219 68 A C 2.424 180.031 177.584 0.038 0.000 1.169 68 A CA 1.661 53.698 52.037 0.001 0.000 0.635 68 A CB -1.050 17.951 19.000 0.001 0.000 0.810 68 A HN 0.603 nan 8.150 nan 0.000 0.446 69 A N -0.847 121.997 122.820 0.040 0.000 1.855 69 A HA -0.155 4.166 4.320 0.001 0.000 0.215 69 A C 2.324 179.970 177.584 0.104 0.000 1.191 69 A CA 1.644 53.724 52.037 0.071 0.000 0.613 69 A CB -1.274 17.750 19.000 0.041 0.000 0.829 69 A HN 0.592 nan 8.150 nan 0.000 0.442 70 C N -0.501 118.833 119.300 0.057 0.000 2.432 70 C HA -0.065 4.395 4.460 0.001 0.000 0.277 70 C C 2.568 177.646 174.990 0.147 0.000 1.249 70 C CA 0.910 59.975 59.018 0.078 0.000 1.725 70 C CB -1.384 26.358 27.740 0.003 0.000 2.028 70 C HN 0.618 nan 8.230 nan 0.000 0.477 71 I N 0.890 121.522 120.570 0.104 0.000 2.264 71 I HA -0.204 3.967 4.170 0.001 0.000 0.248 71 I C 2.668 178.868 176.117 0.138 0.000 1.111 71 I CA 1.787 63.167 61.300 0.133 0.000 1.382 71 I CB -0.531 37.522 38.000 0.089 0.000 1.060 71 I HN 0.334 nan 8.210 nan 0.000 0.418 72 S N 0.418 116.193 115.700 0.124 0.000 2.428 72 S HA -0.163 4.307 4.470 0.001 0.000 0.230 72 S C 1.953 176.613 174.600 0.101 0.000 1.014 72 S CA 0.898 59.158 58.200 0.101 0.000 0.957 72 S CB -0.338 62.920 63.200 0.096 0.000 0.784 72 S HN 0.466 nan 8.310 nan 0.000 0.499 73 F N 1.505 121.472 119.950 0.028 0.000 2.293 73 F HA 0.084 4.611 4.527 0.001 0.000 0.297 73 F C 1.895 177.748 175.800 0.088 0.000 1.089 73 F CA 0.931 58.964 58.000 0.054 0.000 1.377 73 F CB -0.128 38.944 39.000 0.120 0.000 1.051 73 F HN 0.053 nan 8.300 nan 0.000 0.511 74 V N 0.128 120.152 119.914 0.184 0.000 2.307 74 V HA -0.263 3.858 4.120 0.001 0.000 0.245 74 V C 2.192 178.310 176.094 0.042 0.000 1.045 74 V CA 1.388 63.729 62.300 0.068 0.000 1.024 74 V CB -0.726 31.113 31.823 0.028 0.000 0.651 74 V HN 0.223 nan 8.190 nan 0.000 0.449 75 L N 0.555 121.787 121.223 0.014 0.000 2.456 75 L HA -0.021 4.320 4.340 0.001 0.000 0.224 75 L C 2.419 179.327 176.870 0.063 0.000 1.148 75 L CA 1.696 56.549 54.840 0.022 0.000 0.825 75 L CB -1.270 40.811 42.059 0.037 0.000 0.937 75 L HN 0.291 nan 8.230 nan 0.000 0.450 76 A N -1.640 121.135 122.820 -0.076 0.000 1.897 76 A HA -0.162 4.159 4.320 0.001 0.000 0.215 76 A C 1.733 179.295 177.584 -0.037 0.000 1.181 76 A CA 0.864 52.686 52.037 -0.357 0.000 0.620 76 A CB -0.892 17.340 19.000 -1.280 0.000 0.821 76 A HN 0.510 nan 8.150 nan 0.000 0.443 77 W N -1.502 119.769 121.300 -0.048 0.000 2.961 77 W HA 0.211 4.872 4.660 0.002 0.000 0.240 77 W C -0.381 176.231 176.519 0.155 0.000 1.305 77 W CA 0.057 57.497 57.345 0.158 0.000 1.465 77 W CB -0.456 29.118 29.460 0.191 0.000 1.135 77 W HN 0.195 nan 8.180 nan 0.000 0.688 78 F N 1.193 121.233 119.950 0.150 0.000 2.449 78 F HA 0.350 4.878 4.527 0.001 0.000 0.329 78 F C 0.079 175.915 175.800 0.060 0.000 1.245 78 F CA -1.258 56.802 58.000 0.100 0.000 1.193 78 F CB 0.230 39.280 39.000 0.083 0.000 1.425 78 F HN -0.216 nan 8.300 nan 0.000 0.544 79 E N 1.160 121.438 120.200 0.130 0.000 2.401 79 E HA 0.204 4.555 4.350 0.001 0.000 0.280 79 E C -0.983 175.641 176.600 0.040 0.000 1.039 79 E CA -0.834 55.620 56.400 0.090 0.000 0.814 79 E CB 1.509 31.258 29.700 0.082 0.000 1.275 79 E HN 0.305 nan 8.360 nan 0.000 0.448 80 E N 1.062 121.283 120.200 0.035 0.000 2.461 80 E HA 0.027 4.377 4.350 0.001 0.000 0.263 80 E C 0.447 177.047 176.600 0.000 0.000 1.143 80 E CA 0.465 56.874 56.400 0.015 0.000 0.994 80 E CB 0.492 30.205 29.700 0.021 0.000 0.973 80 E HN 0.638 nan 8.360 nan 0.000 0.457 81 G N 0.358 109.149 108.800 -0.015 0.000 3.314 81 G HA2 -0.082 3.879 3.960 0.001 0.000 0.238 81 G HA3 -0.082 3.879 3.960 0.001 0.000 0.238 81 G C 0.999 175.883 174.900 -0.026 0.000 1.184 81 G CA 0.260 45.341 45.100 -0.031 0.000 0.806 81 G HN 0.670 nan 8.290 nan 0.000 0.536 82 E N -0.022 120.171 120.200 -0.012 0.000 2.230 82 E HA 0.052 4.402 4.350 0.001 0.000 0.192 82 E C 0.338 176.930 176.600 -0.013 0.000 0.987 82 E CA 0.439 56.833 56.400 -0.011 0.000 0.841 82 E CB 0.120 29.820 29.700 -0.000 0.000 0.783 82 E HN 0.366 nan 8.360 nan 0.000 0.481 83 E N 0.361 120.556 120.200 -0.009 0.000 3.544 83 E HA 0.077 4.428 4.350 0.001 0.000 0.264 83 E C -0.586 176.013 176.600 -0.001 0.000 1.225 83 E CA -0.041 56.353 56.400 -0.010 0.000 1.045 83 E CB 1.404 31.102 29.700 -0.003 0.000 1.338 83 E HN 0.065 nan 8.360 nan 0.000 0.395 84 T N 0.111 114.657 114.554 -0.014 0.000 3.023 84 T HA 0.037 4.387 4.350 0.001 0.000 0.249 84 T C 1.587 176.278 174.700 -0.017 0.000 1.050 84 T CA 0.187 62.292 62.100 0.008 0.000 1.088 84 T CB 0.152 68.993 68.868 -0.044 0.000 0.946 84 T HN 0.305 nan 8.240 nan 0.000 0.480 85 I N 2.784 123.311 120.570 -0.072 0.000 2.567 85 I HA 0.016 4.187 4.170 0.001 0.000 0.257 85 I C 1.571 177.642 176.117 -0.076 0.000 1.184 85 I CA 1.634 62.869 61.300 -0.108 0.000 1.451 85 I CB -0.145 37.796 38.000 -0.098 0.000 1.089 85 I HN 0.388 nan 8.210 nan 0.000 0.441 86 T N -2.782 111.747 114.554 -0.041 0.000 3.308 86 T HA 0.663 5.013 4.350 0.001 0.000 0.270 86 T C 0.796 175.484 174.700 -0.021 0.000 0.992 86 T CA 0.063 62.133 62.100 -0.050 0.000 0.931 86 T CB 0.218 69.048 68.868 -0.064 0.000 1.142 86 T HN 0.187 nan 8.240 nan 0.000 0.525 87 A N 0.336 123.190 122.820 0.057 0.000 2.074 87 A HA 0.506 4.827 4.320 0.001 0.000 0.200 87 A C 0.924 178.531 177.584 0.038 0.000 1.335 87 A CA -0.186 51.885 52.037 0.056 0.000 0.922 87 A CB -0.194 18.860 19.000 0.090 0.000 0.972 87 A HN 0.467 nan 8.150 nan 0.000 0.475 88 F N 0.487 120.367 119.950 -0.116 0.000 2.693 88 F HA 0.143 4.670 4.527 0.001 0.000 0.303 88 F C 1.709 177.465 175.800 -0.073 0.000 1.143 88 F CA -0.060 57.892 58.000 -0.080 0.000 1.389 88 F CB -0.147 38.727 39.000 -0.210 0.000 1.060 88 F HN 0.010 nan 8.300 nan 0.000 0.535 89 V N -0.423 119.524 119.914 0.055 0.000 2.283 89 V HA -0.250 3.870 4.120 0.001 0.000 0.243 89 V C 2.446 178.611 176.094 0.119 0.000 1.039 89 V CA 1.992 64.309 62.300 0.028 0.000 1.016 89 V CB -0.506 31.262 31.823 -0.093 0.000 0.650 89 V HN 0.364 nan 8.190 nan 0.000 0.449 90 E N 0.627 120.873 120.200 0.078 0.000 2.049 90 E HA -0.252 4.099 4.350 0.001 0.000 0.198 90 E C -0.134 176.575 176.600 0.183 0.000 1.007 90 E CA 2.154 58.616 56.400 0.104 0.000 0.809 90 E CB -0.934 28.803 29.700 0.062 0.000 0.749 90 E HN 0.461 nan 8.360 nan 0.000 0.450 91 P HA -0.144 nan 4.420 nan 0.000 0.215 91 P C 0.927 178.453 177.300 0.378 0.000 1.157 91 P CA 1.326 64.629 63.100 0.338 0.000 0.868 91 P CB -0.131 31.869 31.700 0.499 0.000 0.788 92 F N -0.967 119.098 119.950 0.191 0.000 2.146 92 F HA -0.134 4.394 4.527 0.001 0.000 0.298 92 F C 2.358 178.232 175.800 0.123 0.000 1.096 92 F CA 0.943 59.042 58.000 0.166 0.000 1.275 92 F CB -1.526 37.579 39.000 0.175 0.000 1.008 92 F HN -0.280 nan 8.300 nan 0.000 0.480 93 V N 0.418 120.517 119.914 0.308 0.000 2.261 93 V HA -0.306 3.815 4.120 0.001 0.000 0.246 93 V C 2.382 178.570 176.094 0.158 0.000 1.047 93 V CA 1.952 64.377 62.300 0.208 0.000 1.015 93 V CB -0.675 31.258 31.823 0.183 0.000 0.642 93 V HN 0.335 nan 8.190 nan 0.000 0.446 94 I N -0.805 119.853 120.570 0.146 0.000 2.567 94 I HA -0.217 3.953 4.170 0.001 0.000 0.257 94 I C 2.083 178.254 176.117 0.091 0.000 1.184 94 I CA 1.256 62.622 61.300 0.110 0.000 1.451 94 I CB 0.153 38.213 38.000 0.100 0.000 1.089 94 I HN 0.313 nan 8.210 nan 0.000 0.441 95 L N 0.003 121.278 121.223 0.086 0.000 2.168 95 L HA -0.010 4.331 4.340 0.001 0.000 0.203 95 L C 2.044 178.945 176.870 0.052 0.000 1.078 95 L CA 1.321 56.183 54.840 0.037 0.000 0.780 95 L CB -0.391 41.638 42.059 -0.050 0.000 0.939 95 L HN 0.212 nan 8.230 nan 0.000 0.451 96 L N -0.848 120.420 121.223 0.074 0.000 2.191 96 L HA -0.204 4.136 4.340 0.001 0.000 0.212 96 L C 2.223 179.139 176.870 0.076 0.000 1.103 96 L CA 1.380 56.269 54.840 0.081 0.000 0.769 96 L CB -0.108 42.022 42.059 0.119 0.000 0.908 96 L HN 0.317 nan 8.230 nan 0.000 0.438 97 I N -1.192 119.425 120.570 0.079 0.000 2.235 97 I HA -0.265 3.906 4.170 0.001 0.000 0.241 97 I C 2.213 178.369 176.117 0.064 0.000 1.085 97 I CA 0.646 61.984 61.300 0.063 0.000 1.378 97 I CB -0.287 37.751 38.000 0.063 0.000 1.076 97 I HN 0.168 nan 8.210 nan 0.000 0.415 98 L N 0.626 121.904 121.223 0.092 0.000 2.081 98 L HA -0.212 4.129 4.340 0.001 0.000 0.212 98 L C 2.338 179.298 176.870 0.150 0.000 1.080 98 L CA 1.937 56.861 54.840 0.139 0.000 0.754 98 L CB -0.646 41.543 42.059 0.216 0.000 0.893 98 L HN 0.207 nan 8.230 nan 0.000 0.433 99 I N -1.470 119.184 120.570 0.140 0.000 2.546 99 I HA -0.208 3.963 4.170 0.001 0.000 0.255 99 I C 2.472 178.625 176.117 0.061 0.000 1.163 99 I CA 0.789 62.169 61.300 0.132 0.000 1.457 99 I CB -0.441 37.623 38.000 0.105 0.000 1.092 99 I HN 0.204 nan 8.210 nan 0.000 0.434 100 A N 1.363 124.208 122.820 0.042 0.000 1.855 100 A HA -0.171 4.149 4.320 0.001 0.000 0.215 100 A C 2.003 179.583 177.584 -0.008 0.000 1.191 100 A CA 1.641 53.686 52.037 0.015 0.000 0.613 100 A CB -0.570 18.439 19.000 0.015 0.000 0.829 100 A HN 0.369 nan 8.150 nan 0.000 0.442 101 N N 0.329 119.020 118.700 -0.016 0.000 2.453 101 N HA -0.006 4.735 4.740 0.001 0.000 0.183 101 N C 1.638 177.099 175.510 -0.081 0.000 1.041 101 N CA 1.206 54.233 53.050 -0.039 0.000 0.900 101 N CB -0.352 38.111 38.487 -0.040 0.000 0.961 101 N HN 0.511 nan 8.380 nan 0.000 0.443 102 A N 1.115 123.869 122.820 -0.110 0.000 1.878 102 A HA 0.085 4.405 4.320 0.001 0.000 0.213 102 A C 2.185 179.719 177.584 -0.084 0.000 1.192 102 A CA 0.315 52.229 52.037 -0.205 0.000 0.619 102 A CB -0.530 18.277 19.000 -0.322 0.000 0.837 102 A HN 0.229 nan 8.150 nan 0.000 0.446 103 I N -0.008 120.553 120.570 -0.015 0.000 2.454 103 I HA -0.175 3.996 4.170 0.001 0.000 0.254 103 I C 1.780 177.935 176.117 0.063 0.000 1.156 103 I CA 1.193 62.513 61.300 0.032 0.000 1.433 103 I CB 0.168 38.187 38.000 0.032 0.000 1.082 103 I HN 0.145 nan 8.210 nan 0.000 0.432 104 V N 0.609 120.546 119.914 0.039 0.000 2.649 104 V HA -0.019 4.102 4.120 0.001 0.000 0.248 104 V C 2.478 178.659 176.094 0.146 0.000 1.054 104 V CA 1.455 63.812 62.300 0.095 0.000 1.073 104 V CB -0.789 31.052 31.823 0.030 0.000 0.699 104 V HN 0.581 nan 8.190 nan 0.000 0.463 105 G N 0.098 108.925 108.800 0.045 0.000 2.422 105 G HA2 -0.141 3.819 3.960 0.001 0.000 0.218 105 G HA3 -0.141 3.819 3.960 0.001 0.000 0.218 105 G C 1.533 176.446 174.900 0.021 0.000 1.140 105 G CA 1.228 46.334 45.100 0.011 0.000 0.775 105 G HN 0.411 nan 8.290 nan 0.000 0.545 106 V N -0.891 119.046 119.914 0.039 0.000 2.649 106 V HA -0.016 4.105 4.120 0.001 0.000 0.248 106 V C 2.147 178.294 176.094 0.089 0.000 1.054 106 V CA 1.129 63.453 62.300 0.039 0.000 1.073 106 V CB -0.461 31.388 31.823 0.043 0.000 0.699 106 V HN 0.605 nan 8.190 nan 0.000 0.463 107 W N 1.248 122.534 121.300 -0.023 0.000 2.388 107 W HA -0.151 4.510 4.660 0.001 0.000 0.294 107 W C 2.326 178.836 176.519 -0.014 0.000 1.212 107 W CA 1.555 58.893 57.345 -0.012 0.000 1.271 107 W CB -0.017 29.437 29.460 -0.009 0.000 1.126 107 W HN 0.240 nan 8.180 nan 0.000 0.535 108 Q N -0.544 119.264 119.800 0.013 0.000 2.389 108 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 108 Q C 1.788 177.677 176.000 -0.184 0.000 0.944 108 Q CA 1.171 56.869 55.803 -0.174 0.000 0.908 108 Q CB -0.060 28.706 28.738 0.048 0.000 1.002 108 Q HN 0.465 nan 8.270 nan 0.000 0.493 109 E N 1.171 121.300 120.200 -0.118 0.000 2.415 109 E HA -0.054 4.297 4.350 0.001 0.000 0.197 109 E C 1.772 178.304 176.600 -0.113 0.000 1.007 109 E CA -0.069 56.271 56.400 -0.100 0.000 0.890 109 E CB 0.348 30.011 29.700 -0.061 0.000 0.891 109 E HN 0.240 nan 8.360 nan 0.000 0.496 110 R N 0.023 120.441 120.500 -0.137 0.000 2.307 110 R HA 0.085 4.426 4.340 0.001 0.000 0.199 110 R C 0.311 176.519 176.300 -0.154 0.000 1.000 110 R CA 0.444 56.475 56.100 -0.116 0.000 1.023 110 R CB -0.114 30.134 30.300 -0.087 0.000 0.908 110 R HN -0.068 nan 8.270 nan 0.000 0.473 111 N N 1.579 120.143 118.700 -0.226 0.000 2.802 111 N HA 0.146 4.887 4.740 0.001 0.000 0.288 111 N C -1.084 174.336 175.510 -0.150 0.000 1.268 111 N CA 0.192 53.109 53.050 -0.222 0.000 1.035 111 N CB 1.402 39.684 38.487 -0.342 0.000 1.353 111 N HN 0.293 nan 8.380 nan 0.000 0.522 112 A N 0.727 123.482 122.820 -0.108 0.000 2.267 112 A HA 0.344 4.665 4.320 0.001 0.000 0.315 112 A C 0.331 177.880 177.584 -0.058 0.000 1.297 112 A CA -0.684 51.306 52.037 -0.078 0.000 0.865 112 A CB 1.108 20.068 19.000 -0.067 0.000 1.165 112 A HN 0.246 nan 8.150 nan 0.000 0.513 113 E N 1.608 121.777 120.200 -0.051 0.000 2.392 113 E HA 0.089 4.439 4.350 0.001 0.000 0.256 113 E C -0.317 176.266 176.600 -0.028 0.000 1.145 113 E CA -0.534 55.843 56.400 -0.038 0.000 0.929 113 E CB 0.788 30.468 29.700 -0.033 0.000 0.998 113 E HN 0.618 nan 8.360 nan 0.000 0.442 114 N N 0.115 118.804 118.700 -0.020 0.000 2.424 114 N HA 0.172 4.913 4.740 0.001 0.000 0.271 114 N C -0.249 175.259 175.510 -0.004 0.000 0.985 114 N CA -0.084 52.958 53.050 -0.012 0.000 0.921 114 N CB 1.686 40.167 38.487 -0.009 0.000 1.149 114 N HN 0.533 nan 8.380 nan 0.000 0.492 115 A N 4.666 127.484 122.820 -0.002 0.000 1.968 115 A HA -0.041 4.280 4.320 0.001 0.000 0.217 115 A C 1.892 179.488 177.584 0.019 0.000 1.169 115 A CA 0.780 52.821 52.037 0.007 0.000 0.638 115 A CB -0.173 18.828 19.000 0.001 0.000 0.812 115 A HN 0.703 nan 8.150 nan 0.000 0.446 116 I N 0.014 120.592 120.570 0.013 0.000 2.353 116 I HA -0.165 4.006 4.170 0.001 0.000 0.248 116 I C 2.321 178.454 176.117 0.028 0.000 1.119 116 I CA 1.482 62.795 61.300 0.021 0.000 1.417 116 I CB -1.375 36.632 38.000 0.013 0.000 1.078 116 I HN 0.540 nan 8.210 nan 0.000 0.421 117 E N 1.196 121.406 120.200 0.017 0.000 2.077 117 E HA -0.194 4.157 4.350 0.001 0.000 0.193 117 E C 2.282 178.892 176.600 0.018 0.000 0.989 117 E CA 1.362 57.770 56.400 0.012 0.000 0.800 117 E CB 0.136 29.836 29.700 0.001 0.000 0.746 117 E HN 0.422 nan 8.360 nan 0.000 0.452 118 A N 0.812 123.647 122.820 0.025 0.000 1.969 118 A HA -0.134 4.186 4.320 0.001 0.000 0.218 118 A C 2.072 179.713 177.584 0.095 0.000 1.169 118 A CA 0.911 52.968 52.037 0.034 0.000 0.635 118 A CB -0.462 18.562 19.000 0.040 0.000 0.810 118 A HN 0.354 nan 8.150 nan 0.000 0.445 119 L N -0.039 121.256 121.223 0.120 0.000 2.093 119 L HA -0.083 4.257 4.340 0.001 0.000 0.208 119 L C 2.059 179.055 176.870 0.211 0.000 1.085 119 L CA 1.976 56.937 54.840 0.201 0.000 0.755 119 L CB -0.377 41.743 42.059 0.102 0.000 0.904 119 L HN 0.307 nan 8.230 nan 0.000 0.435 120 K N -0.359 120.103 120.400 0.103 0.000 2.442 120 K HA -0.144 4.177 4.320 0.001 0.000 0.198 120 K C 1.607 178.230 176.600 0.039 0.000 1.044 120 K CA 0.990 57.321 56.287 0.073 0.000 0.948 120 K CB -0.129 32.394 32.500 0.038 0.000 0.762 120 K HN 0.497 nan 8.250 nan 0.000 0.472 121 E N -0.204 119.985 120.200 -0.017 0.000 2.472 121 E HA -0.137 4.214 4.350 0.001 0.000 0.200 121 E C 0.498 176.948 176.600 -0.250 0.000 1.046 121 E CA 0.699 57.008 56.400 -0.153 0.000 0.871 121 E CB 0.068 29.623 29.700 -0.242 0.000 0.806 121 E HN 0.427 nan 8.360 nan 0.000 0.533 122 Y N 0.720 121.024 120.300 0.008 0.000 2.466 122 Y HA 0.133 4.683 4.550 0.001 0.000 0.272 122 Y C 0.260 176.170 175.900 0.016 0.000 1.169 122 Y CA 0.020 58.128 58.100 0.012 0.000 1.285 122 Y CB 0.484 38.953 38.460 0.014 0.000 1.078 122 Y HN -0.125 nan 8.280 nan 0.000 0.523 123 E N 3.124 123.389 120.200 0.108 0.000 2.130 123 E HA 0.162 4.512 4.350 0.001 0.000 0.284 123 E C -2.332 174.292 176.600 0.039 0.000 1.018 123 E CA -2.219 54.227 56.400 0.076 0.000 0.817 123 E CB 0.754 30.490 29.700 0.061 0.000 1.078 123 E HN 0.041 nan 8.360 nan 0.000 0.396 124 P HA 0.007 nan 4.420 nan 0.000 0.277 124 P C 0.174 177.483 177.300 0.014 0.000 1.240 124 P CA -0.063 63.049 63.100 0.019 0.000 0.798 124 P CB 1.461 33.175 31.700 0.024 0.000 0.979 125 E N 1.322 121.525 120.200 0.005 0.000 2.046 125 E HA -0.062 4.289 4.350 0.001 0.000 0.190 125 E C 0.305 176.909 176.600 0.007 0.000 0.982 125 E CA 0.951 57.354 56.400 0.005 0.000 0.800 125 E CB 0.045 29.744 29.700 -0.002 0.000 0.756 125 E HN 0.336 nan 8.360 nan 0.000 0.449 126 M N 0.017 119.618 119.600 0.002 0.000 2.598 126 M HA 0.515 4.996 4.480 0.001 0.000 0.317 126 M C 0.331 176.629 176.300 -0.004 0.000 1.201 126 M CA -0.548 54.751 55.300 -0.003 0.000 0.971 126 M CB 1.322 33.916 32.600 -0.009 0.000 1.657 126 M HN 0.092 nan 8.290 nan 0.000 0.470 127 G N 0.868 109.660 108.800 -0.013 0.000 2.695 127 G HA2 0.708 4.669 3.960 0.001 0.000 0.290 127 G HA3 0.708 4.669 3.960 0.001 0.000 0.290 127 G C -1.580 173.294 174.900 -0.043 0.000 1.410 127 G CA -0.762 44.327 45.100 -0.019 0.000 0.844 127 G HN 0.552 nan 8.290 nan 0.000 0.478 128 K N 0.055 120.421 120.400 -0.057 0.000 2.413 128 K HA 0.629 4.950 4.320 0.001 0.000 0.257 128 K C -0.436 176.085 176.600 -0.132 0.000 0.946 128 K CA -0.741 55.481 56.287 -0.109 0.000 0.823 128 K CB 2.414 34.845 32.500 -0.114 0.000 1.109 128 K HN 0.592 nan 8.250 nan 0.000 0.427 129 V N -0.341 119.463 119.914 -0.182 0.000 3.141 129 V HA 0.590 4.711 4.120 0.001 0.000 0.312 129 V C -1.504 174.427 176.094 -0.272 0.000 1.157 129 V CA -0.932 61.281 62.300 -0.144 0.000 1.041 129 V CB 1.394 33.179 31.823 -0.064 0.000 1.071 129 V HN 0.649 nan 8.190 nan 0.000 0.441 130 Y N 1.612 121.900 120.300 -0.021 0.000 2.328 130 Y HA 0.776 5.326 4.550 0.001 0.000 0.333 130 Y C 0.422 176.309 175.900 -0.022 0.000 0.958 130 Y CA -0.666 57.424 58.100 -0.017 0.000 1.167 130 Y CB 1.739 40.191 38.460 -0.014 0.000 1.151 130 Y HN 0.527 nan 8.280 nan 0.000 0.470 131 R N 1.328 121.890 120.500 0.103 0.000 2.778 131 R HA 0.540 4.881 4.340 0.001 0.000 0.277 131 R C 0.646 176.980 176.300 0.057 0.000 0.977 131 R CA -0.521 55.610 56.100 0.051 0.000 0.950 131 R CB 1.610 31.916 30.300 0.010 0.000 1.165 131 R HN 0.808 nan 8.270 nan 0.000 0.474 132 A N 1.015 123.854 122.820 0.032 0.000 2.131 132 A HA -0.221 4.100 4.320 0.001 0.000 0.220 132 A C 1.540 179.138 177.584 0.024 0.000 1.158 132 A CA 1.863 53.916 52.037 0.026 0.000 0.665 132 A CB -0.409 18.598 19.000 0.012 0.000 0.795 132 A HN 0.760 nan 8.150 nan 0.000 0.460 133 D N -0.165 120.247 120.400 0.020 0.000 2.103 133 D HA -0.127 4.514 4.640 0.001 0.000 0.190 133 D C 1.211 177.524 176.300 0.021 0.000 0.997 133 D CA 1.491 55.499 54.000 0.014 0.000 0.833 133 D CB 0.097 40.901 40.800 0.007 0.000 0.961 133 D HN 0.643 nan 8.370 nan 0.000 0.447 134 R N -1.286 119.235 120.500 0.034 0.000 2.836 134 R HA 0.410 4.751 4.340 0.001 0.000 0.269 134 R C 0.315 176.663 176.300 0.079 0.000 1.010 134 R CA -0.768 55.358 56.100 0.042 0.000 0.930 134 R CB 0.829 31.146 30.300 0.028 0.000 1.218 134 R HN -0.264 nan 8.270 nan 0.000 0.473 135 K N 0.907 121.353 120.400 0.078 0.000 2.243 135 K HA 0.031 4.352 4.320 0.001 0.000 0.201 135 K C 0.421 177.136 176.600 0.192 0.000 1.051 135 K CA 0.988 57.340 56.287 0.108 0.000 0.970 135 K CB 0.024 32.561 32.500 0.062 0.000 0.755 135 K HN 0.678 nan 8.250 nan 0.000 0.465 136 S N -0.552 115.231 115.700 0.137 0.000 2.646 136 S HA 0.275 4.746 4.470 0.001 0.000 0.276 136 S C 0.116 174.725 174.600 0.014 0.000 1.222 136 S CA -0.977 57.306 58.200 0.138 0.000 1.014 136 S CB 1.492 64.727 63.200 0.058 0.000 0.991 136 S HN -0.014 nan 8.310 nan 0.000 0.533 137 V N 1.743 121.546 119.914 -0.186 0.000 2.872 137 V HA 0.157 4.278 4.120 0.001 0.000 0.307 137 V C -0.274 175.635 176.094 -0.308 0.000 1.072 137 V CA 0.382 62.299 62.300 -0.638 0.000 1.148 137 V CB 0.634 32.073 31.823 -0.640 0.000 0.954 137 V HN 0.958 nan 8.190 nan 0.000 0.490 138 Q N 5.405 125.023 119.800 -0.304 0.000 2.331 138 Q HA 0.456 4.797 4.340 0.001 0.000 0.267 138 Q C -0.708 175.210 176.000 -0.136 0.000 1.006 138 Q CA -0.563 55.145 55.803 -0.159 0.000 0.818 138 Q CB 2.098 30.771 28.738 -0.109 0.000 1.276 138 Q HN 0.695 nan 8.270 nan 0.000 0.450 139 R N 3.841 124.285 120.500 -0.092 0.000 2.204 139 R HA 0.383 4.724 4.340 0.001 0.000 0.341 139 R C -0.386 175.887 176.300 -0.045 0.000 1.035 139 R CA -0.017 56.042 56.100 -0.068 0.000 0.887 139 R CB 0.106 30.374 30.300 -0.053 0.000 1.114 139 R HN 0.676 nan 8.270 nan 0.000 0.473 140 I N -0.779 119.768 120.570 -0.038 0.000 3.436 140 I HA 0.556 4.726 4.170 0.001 0.000 0.296 140 I C -0.537 175.576 176.117 -0.007 0.000 1.143 140 I CA -1.453 59.836 61.300 -0.019 0.000 1.009 140 I CB 1.267 39.257 38.000 -0.017 0.000 1.301 140 I HN 0.170 nan 8.210 nan 0.000 0.503 141 K N 1.724 122.129 120.400 0.008 0.000 2.368 141 K HA 0.238 4.559 4.320 0.001 0.000 0.282 141 K C 0.791 177.406 176.600 0.026 0.000 1.035 141 K CA 0.341 56.640 56.287 0.019 0.000 0.973 141 K CB 1.392 33.912 32.500 0.034 0.000 0.957 141 K HN 0.818 nan 8.250 nan 0.000 0.474 142 A N 4.207 127.041 122.820 0.024 0.000 1.978 142 A HA -0.219 4.102 4.320 0.001 0.000 0.220 142 A C 1.900 179.512 177.584 0.047 0.000 1.170 142 A CA 1.697 53.749 52.037 0.026 0.000 0.636 142 A CB -0.350 18.665 19.000 0.026 0.000 0.810 142 A HN 0.819 nan 8.150 nan 0.000 0.448 143 R N -0.822 119.719 120.500 0.069 0.000 2.285 143 R HA -0.073 4.268 4.340 0.001 0.000 0.213 143 R C -0.075 176.325 176.300 0.168 0.000 1.068 143 R CA 1.544 57.716 56.100 0.119 0.000 1.004 143 R CB -0.357 30.014 30.300 0.119 0.000 0.873 143 R HN 0.248 nan 8.270 nan 0.000 0.467 144 D N 0.673 121.138 120.400 0.109 0.000 2.340 144 D HA 0.209 4.849 4.640 0.001 0.000 0.217 144 D C 0.343 176.648 176.300 0.008 0.000 1.081 144 D CA 0.014 54.054 54.000 0.067 0.000 0.842 144 D CB 0.283 41.123 40.800 0.067 0.000 0.934 144 D HN 0.244 nan 8.370 nan 0.000 0.511 145 I N 1.141 121.719 120.570 0.013 0.000 2.581 145 I HA 0.108 4.279 4.170 0.001 0.000 0.288 145 I C 0.471 176.582 176.117 -0.010 0.000 1.047 145 I CA -0.490 60.806 61.300 -0.007 0.000 1.374 145 I CB 1.300 39.295 38.000 -0.009 0.000 1.423 145 I HN -0.238 nan 8.210 nan 0.000 0.549 146 V N 2.865 122.769 119.914 -0.016 0.000 3.160 146 V HA 0.607 4.728 4.120 0.001 0.000 0.310 146 V C -2.836 173.205 176.094 -0.089 0.000 1.181 146 V CA -2.740 59.562 62.300 0.004 0.000 1.047 146 V CB 1.470 33.372 31.823 0.132 0.000 1.068 146 V HN 0.436 nan 8.190 nan 0.000 0.441 147 P HA 0.401 nan 4.420 nan 0.000 0.267 147 P C 0.898 177.799 177.300 -0.666 0.000 1.205 147 P CA 2.014 64.872 63.100 -0.404 0.000 0.765 147 P CB 0.855 32.191 31.700 -0.607 0.000 0.828 148 G N 2.235 110.335 108.800 -1.168 0.000 2.254 148 G HA2 -0.176 3.785 3.960 0.001 0.000 0.225 148 G HA3 -0.176 3.785 3.960 0.001 0.000 0.225 148 G C -0.160 174.452 174.900 -0.480 0.000 1.003 148 G CA 0.066 44.311 45.100 -1.426 0.000 0.622 148 G HN 0.648 nan 8.290 nan 0.000 0.507 149 D N 0.896 121.139 120.400 -0.261 0.000 2.329 149 D HA 0.545 5.185 4.640 0.001 0.000 0.246 149 D C 0.201 176.454 176.300 -0.078 0.000 1.111 149 D CA -0.936 52.992 54.000 -0.121 0.000 0.941 149 D CB 0.845 41.606 40.800 -0.066 0.000 1.169 149 D HN 0.084 nan 8.370 nan 0.000 0.441 150 I N 1.129 121.697 120.570 -0.004 0.000 2.396 150 I HA 0.150 4.321 4.170 0.001 0.000 0.289 150 I C -0.130 176.042 176.117 0.091 0.000 1.056 150 I CA -0.375 60.956 61.300 0.052 0.000 1.365 150 I CB 0.990 39.048 38.000 0.097 0.000 1.407 150 I HN 0.204 nan 8.210 nan 0.000 0.509 151 V N 6.372 126.323 119.914 0.062 0.000 2.715 151 V HA 0.482 4.603 4.120 0.001 0.000 0.310 151 V C -0.139 176.004 176.094 0.082 0.000 1.054 151 V CA -0.856 61.472 62.300 0.047 0.000 0.928 151 V CB 2.027 33.849 31.823 -0.002 0.000 1.007 151 V HN 0.694 nan 8.190 nan 0.000 0.437 152 E N 2.180 122.420 120.200 0.067 0.000 2.199 152 E HA 0.712 5.062 4.350 0.001 0.000 0.269 152 E C -1.429 175.192 176.600 0.034 0.000 0.899 152 E CA -0.546 55.906 56.400 0.086 0.000 0.772 152 E CB 2.186 31.971 29.700 0.142 0.000 1.155 152 E HN 0.634 nan 8.360 nan 0.000 0.408 153 V N 0.279 120.214 119.914 0.035 0.000 2.962 153 V HA 1.025 5.145 4.120 0.001 0.000 0.313 153 V C -0.833 175.279 176.094 0.030 0.000 1.099 153 V CA -0.521 61.793 62.300 0.023 0.000 0.971 153 V CB 1.314 33.146 31.823 0.016 0.000 1.028 153 V HN 0.784 nan 8.190 nan 0.000 0.430 154 A N 2.297 125.133 122.820 0.026 0.000 2.593 154 A HA 0.837 5.158 4.320 0.001 0.000 0.290 154 A C -0.295 177.305 177.584 0.028 0.000 1.126 154 A CA -0.303 51.752 52.037 0.030 0.000 0.695 154 A CB 1.657 20.676 19.000 0.031 0.000 1.290 154 A HN 2.263 nan 8.150 nan 0.000 0.414 155 V N 1.222 121.154 119.914 0.030 0.000 2.678 155 V HA 0.327 4.448 4.120 0.001 0.000 0.304 155 V C 1.413 177.521 176.094 0.024 0.000 1.086 155 V CA 2.762 65.079 62.300 0.028 0.000 1.246 155 V CB 0.159 32.000 31.823 0.030 0.000 0.861 155 V HN 2.768 nan 8.190 nan 0.000 0.491 156 G N 4.225 113.040 108.800 0.024 0.000 2.241 156 G HA2 -0.202 3.759 3.960 0.001 0.000 0.244 156 G HA3 -0.202 3.759 3.960 0.001 0.000 0.244 156 G C 0.001 174.914 174.900 0.022 0.000 0.998 156 G CA 0.217 45.330 45.100 0.021 0.000 0.621 156 G HN 0.821 nan 8.290 nan 0.000 0.519 157 D N 0.977 121.391 120.400 0.023 0.000 2.341 157 D HA 0.442 5.082 4.640 0.001 0.000 0.245 157 D C 0.480 176.800 176.300 0.033 0.000 1.106 157 D CA 0.226 54.239 54.000 0.023 0.000 0.905 157 D CB 0.945 41.756 40.800 0.019 0.000 1.202 157 D HN 0.269 nan 8.370 nan 0.000 0.426 158 K N 0.775 121.196 120.400 0.035 0.000 2.183 158 K HA 0.294 4.615 4.320 0.001 0.000 0.274 158 K C -0.692 175.937 176.600 0.047 0.000 1.009 158 K CA -0.725 55.595 56.287 0.055 0.000 0.888 158 K CB 1.275 33.810 32.500 0.059 0.000 1.078 158 K HN 0.139 nan 8.250 nan 0.000 0.459 159 V N 6.748 126.695 119.914 0.055 0.000 2.529 159 V HA 0.006 4.126 4.120 0.001 0.000 0.292 159 V C -1.168 174.952 176.094 0.043 0.000 1.028 159 V CA -0.827 61.497 62.300 0.039 0.000 1.074 159 V CB 0.958 32.803 31.823 0.037 0.000 0.958 159 V HN 0.822 nan 8.190 nan 0.000 0.481 160 P HA 0.159 nan 4.420 nan 0.000 0.230 160 P C 0.158 177.474 177.300 0.026 0.000 1.168 160 P CA 0.913 64.029 63.100 0.027 0.000 0.793 160 P CB 0.753 32.461 31.700 0.013 0.000 0.851 161 A N -0.686 122.143 122.820 0.014 0.000 2.536 161 A HA 0.478 4.798 4.320 0.001 0.000 0.293 161 A C -1.696 175.884 177.584 -0.006 0.000 1.119 161 A CA -0.604 51.439 52.037 0.010 0.000 0.654 161 A CB 0.087 19.080 19.000 -0.011 0.000 1.291 161 A HN -0.223 nan 8.150 nan 0.000 0.439 162 D N 0.986 121.384 120.400 -0.003 0.000 2.339 162 D HA 0.531 5.171 4.640 0.001 0.000 0.256 162 D C -0.586 175.654 176.300 -0.099 0.000 1.214 162 D CA 0.886 54.860 54.000 -0.043 0.000 0.877 162 D CB 0.331 41.157 40.800 0.043 0.000 1.111 162 D HN 0.396 nan 8.370 nan 0.000 0.478 163 I N 2.163 122.633 120.570 -0.168 0.000 2.509 163 I HA 0.274 4.444 4.170 0.001 0.000 0.293 163 I C 0.344 176.368 176.117 -0.155 0.000 1.020 163 I CA -1.050 60.170 61.300 -0.135 0.000 1.088 163 I CB 1.734 39.672 38.000 -0.103 0.000 1.267 163 I HN -0.058 nan 8.210 nan 0.000 0.430 164 R N 6.382 126.830 120.500 -0.088 0.000 2.234 164 R HA 0.459 4.800 4.340 0.001 0.000 0.324 164 R C -0.682 175.591 176.300 -0.044 0.000 1.054 164 R CA -0.601 55.462 56.100 -0.061 0.000 0.912 164 R CB 0.401 30.692 30.300 -0.014 0.000 1.030 164 R HN 0.562 nan 8.270 nan 0.000 0.455 165 I N 6.049 126.590 120.570 -0.049 0.000 2.556 165 I HA -0.079 4.092 4.170 0.001 0.000 0.284 165 I C 1.380 177.500 176.117 0.006 0.000 1.114 165 I CA 0.163 61.450 61.300 -0.023 0.000 1.418 165 I CB 0.731 38.716 38.000 -0.025 0.000 1.394 165 I HN 0.500 nan 8.210 nan 0.000 0.552 166 L N 3.773 125.002 121.223 0.010 0.000 2.445 166 L HA 0.211 4.551 4.340 0.001 0.000 0.207 166 L C 0.723 177.603 176.870 0.017 0.000 1.053 166 L CA 0.475 55.325 54.840 0.017 0.000 0.841 166 L CB 0.254 42.320 42.059 0.012 0.000 1.074 166 L HN 0.610 nan 8.230 nan 0.000 0.479 167 S N -0.112 115.596 115.700 0.014 0.000 2.614 167 S HA 0.521 4.992 4.470 0.001 0.000 0.275 167 S C -0.998 173.614 174.600 0.020 0.000 1.161 167 S CA -0.538 57.670 58.200 0.013 0.000 0.969 167 S CB 1.123 64.322 63.200 -0.002 0.000 1.059 167 S HN 0.089 nan 8.310 nan 0.000 0.482 168 I N 5.864 126.450 120.570 0.027 0.000 2.297 168 I HA 0.327 4.497 4.170 0.001 0.000 0.291 168 I C 0.945 177.080 176.117 0.030 0.000 1.033 168 I CA -0.691 60.630 61.300 0.034 0.000 1.253 168 I CB 1.246 39.275 38.000 0.048 0.000 1.396 168 I HN 0.568 nan 8.210 nan 0.000 0.476 169 K N 3.259 123.678 120.400 0.031 0.000 2.103 169 K HA 0.013 4.334 4.320 0.001 0.000 0.204 169 K C 1.060 177.681 176.600 0.036 0.000 1.052 169 K CA 0.583 56.887 56.287 0.029 0.000 0.945 169 K CB -0.272 32.248 32.500 0.033 0.000 0.722 169 K HN 0.679 nan 8.250 nan 0.000 0.443 170 S N -0.005 115.723 115.700 0.047 0.000 2.661 170 S HA 0.132 4.603 4.470 0.001 0.000 0.265 170 S C 1.321 175.958 174.600 0.062 0.000 1.225 170 S CA -0.379 57.857 58.200 0.060 0.000 0.986 170 S CB 0.796 64.038 63.200 0.070 0.000 1.008 170 S HN 0.099 nan 8.310 nan 0.000 0.565 171 T N 1.169 115.772 114.554 0.081 0.000 2.821 171 T HA 0.082 4.432 4.350 0.001 0.000 0.267 171 T C 0.945 175.707 174.700 0.103 0.000 1.046 171 T CA 1.552 63.698 62.100 0.078 0.000 1.139 171 T CB -0.576 68.358 68.868 0.111 0.000 0.871 171 T HN 1.003 nan 8.240 nan 0.000 0.454 172 T N -0.781 113.854 114.554 0.135 0.000 2.868 172 T HA 0.635 4.985 4.350 0.001 0.000 0.306 172 T C -1.608 173.161 174.700 0.115 0.000 1.224 172 T CA -1.067 61.126 62.100 0.155 0.000 1.012 172 T CB 1.885 70.910 68.868 0.261 0.000 1.221 172 T HN -0.016 nan 8.240 nan 0.000 0.499 173 L N 1.672 122.953 121.223 0.097 0.000 2.305 173 L HA 0.669 5.010 4.340 0.001 0.000 0.284 173 L C -0.365 176.538 176.870 0.056 0.000 1.013 173 L CA -0.525 54.354 54.840 0.065 0.000 0.819 173 L CB 1.033 43.120 42.059 0.047 0.000 1.227 173 L HN 0.715 nan 8.230 nan 0.000 0.417 174 R N 4.412 124.937 120.500 0.042 0.000 2.343 174 R HA 0.745 5.086 4.340 0.001 0.000 0.320 174 R C -1.377 174.938 176.300 0.025 0.000 0.956 174 R CA -0.796 55.319 56.100 0.025 0.000 0.836 174 R CB 2.020 32.325 30.300 0.008 0.000 1.151 174 R HN 0.439 nan 8.270 nan 0.000 0.450 175 V N 1.739 121.668 119.914 0.026 0.000 2.680 175 V HA 0.181 4.302 4.120 0.001 0.000 0.309 175 V C -0.565 175.551 176.094 0.038 0.000 1.052 175 V CA -0.871 61.450 62.300 0.034 0.000 0.908 175 V CB 2.242 34.089 31.823 0.041 0.000 1.001 175 V HN 0.643 nan 8.190 nan 0.000 0.431 176 D N 2.990 123.416 120.400 0.044 0.000 2.412 176 D HA 0.276 4.917 4.640 0.001 0.000 0.224 176 D C 0.207 176.537 176.300 0.049 0.000 1.093 176 D CA -0.162 53.864 54.000 0.043 0.000 0.850 176 D CB 1.344 42.171 40.800 0.045 0.000 1.046 176 D HN 0.580 nan 8.370 nan 0.000 0.507 177 Q N 2.048 121.874 119.800 0.043 0.000 2.201 177 Q HA 0.067 4.408 4.340 0.001 0.000 0.236 177 Q C 1.414 177.409 176.000 -0.007 0.000 0.857 177 Q CA -0.177 55.649 55.803 0.037 0.000 1.025 177 Q CB 0.473 29.247 28.738 0.059 0.000 1.124 177 Q HN 0.553 nan 8.270 nan 0.000 0.473 178 S N 0.614 116.312 115.700 -0.003 0.000 2.419 178 S HA -0.200 4.271 4.470 0.001 0.000 0.235 178 S C 1.949 176.508 174.600 -0.067 0.000 1.019 178 S CA 1.198 59.386 58.200 -0.020 0.000 0.982 178 S CB -0.724 62.479 63.200 0.005 0.000 0.789 178 S HN 0.652 nan 8.310 nan 0.000 0.490 179 I N -1.652 118.849 120.570 -0.115 0.000 2.756 179 I HA 0.081 4.251 4.170 0.001 0.000 0.262 179 I C 1.892 177.906 176.117 -0.172 0.000 1.225 179 I CA 1.141 62.314 61.300 -0.210 0.000 1.472 179 I CB -0.358 37.405 38.000 -0.395 0.000 1.094 179 I HN 0.219 nan 8.210 nan 0.000 0.454 180 L N 0.606 121.744 121.223 -0.142 0.000 2.575 180 L HA 0.152 4.492 4.340 0.001 0.000 0.228 180 L C 2.122 178.921 176.870 -0.118 0.000 1.075 180 L CA 0.995 55.737 54.840 -0.164 0.000 0.867 180 L CB -0.023 41.882 42.059 -0.257 0.000 1.097 180 L HN 0.447 nan 8.230 nan 0.000 0.485 181 T N -5.681 108.825 114.554 -0.080 0.000 2.958 181 T HA 0.293 4.644 4.350 0.001 0.000 0.256 181 T C 1.451 176.135 174.700 -0.027 0.000 0.983 181 T CA 0.632 62.705 62.100 -0.046 0.000 0.924 181 T CB 1.168 70.017 68.868 -0.030 0.000 1.136 181 T HN 0.283 nan 8.240 nan 0.000 0.506 182 G N 1.611 110.393 108.800 -0.031 0.000 2.253 182 G HA2 -0.221 3.740 3.960 0.001 0.000 0.251 182 G HA3 -0.221 3.740 3.960 0.001 0.000 0.251 182 G C -0.097 174.803 174.900 -0.001 0.000 0.998 182 G CA 0.148 45.239 45.100 -0.015 0.000 0.621 182 G HN 0.613 nan 8.290 nan 0.000 0.524 183 E N 0.942 121.143 120.200 0.002 0.000 2.313 183 E HA 0.468 4.819 4.350 0.001 0.000 0.276 183 E C 1.424 178.037 176.600 0.022 0.000 1.031 183 E CA 0.401 56.809 56.400 0.013 0.000 0.857 183 E CB 1.412 31.120 29.700 0.013 0.000 1.040 183 E HN 0.477 nan 8.360 nan 0.000 0.408 184 S N 0.939 116.659 115.700 0.033 0.000 2.458 184 S HA 0.013 4.484 4.470 0.001 0.000 0.223 184 S C 1.068 175.692 174.600 0.039 0.000 1.019 184 S CA -0.281 57.946 58.200 0.044 0.000 0.937 184 S CB 0.083 63.323 63.200 0.067 0.000 0.788 184 S HN 0.245 nan 8.310 nan 0.000 0.511 185 V N 3.534 123.469 119.914 0.035 0.000 2.617 185 V HA 0.084 4.205 4.120 0.001 0.000 0.304 185 V C 0.615 176.718 176.094 0.015 0.000 1.040 185 V CA 0.061 62.375 62.300 0.024 0.000 1.149 185 V CB 0.433 32.269 31.823 0.021 0.000 0.914 185 V HN 0.438 nan 8.190 nan 0.000 0.487 186 S N 3.620 119.321 115.700 0.003 0.000 2.562 186 S HA 0.290 4.761 4.470 0.001 0.000 0.281 186 S C -0.030 174.570 174.600 -0.001 0.000 1.333 186 S CA -0.512 57.689 58.200 0.001 0.000 1.052 186 S CB 1.152 64.344 63.200 -0.013 0.000 0.884 186 S HN 0.846 nan 8.310 nan 0.000 0.506 187 V N 2.253 122.177 119.914 0.015 0.000 2.481 187 V HA 0.560 4.681 4.120 0.001 0.000 0.286 187 V C -0.276 175.832 176.094 0.023 0.000 1.042 187 V CA -0.870 61.444 62.300 0.022 0.000 0.928 187 V CB 0.859 32.704 31.823 0.036 0.000 0.986 187 V HN 0.622 nan 8.190 nan 0.000 0.462 188 I N 4.784 125.376 120.570 0.036 0.000 2.312 188 I HA 0.466 4.637 4.170 0.001 0.000 0.291 188 I C 0.506 176.656 176.117 0.056 0.000 1.031 188 I CA -0.155 61.186 61.300 0.068 0.000 1.293 188 I CB 0.960 39.039 38.000 0.131 0.000 1.403 188 I HN 0.740 nan 8.210 nan 0.000 0.484 189 K N 5.716 126.136 120.400 0.034 0.000 2.109 189 K HA 0.538 4.859 4.320 0.001 0.000 0.243 189 K C -0.239 176.379 176.600 0.031 0.000 1.006 189 K CA -0.561 55.701 56.287 -0.041 0.000 0.917 189 K CB 1.626 34.098 32.500 -0.047 0.000 1.081 189 K HN 0.720 nan 8.250 nan 0.000 0.468 190 H N -3.515 115.583 119.070 0.046 0.000 2.947 190 H HA 0.340 4.896 4.556 0.001 0.000 0.290 190 H C 0.131 175.475 175.328 0.027 0.000 1.430 190 H CA -0.694 55.378 56.048 0.040 0.000 1.189 190 H CB 0.588 30.377 29.762 0.045 0.000 1.875 190 H HN 0.503 nan 8.280 nan 0.000 0.568 191 T N -3.149 111.616 114.554 0.352 0.000 3.044 191 T HA 0.281 4.632 4.350 0.001 0.000 0.260 191 T C -0.051 174.777 174.700 0.215 0.000 1.019 191 T CA -0.373 61.858 62.100 0.218 0.000 0.921 191 T CB -0.357 68.571 68.868 0.099 0.000 1.053 191 T HN 0.565 nan 8.240 nan 0.000 0.533 192 E N 3.291 123.632 120.200 0.236 0.000 2.392 192 E HA 0.296 4.647 4.350 0.001 0.000 0.259 192 E C -2.397 174.294 176.600 0.152 0.000 1.108 192 E CA -2.165 54.259 56.400 0.040 0.000 0.916 192 E CB 0.430 30.000 29.700 -0.215 0.000 0.989 192 E HN 0.297 nan 8.360 nan 0.000 0.432 193 P HA 0.025 nan 4.420 nan 0.000 0.274 193 P C -0.715 176.661 177.300 0.127 0.000 1.237 193 P CA -0.167 62.984 63.100 0.086 0.000 0.793 193 P CB 0.664 32.380 31.700 0.027 0.000 0.977 194 V N 4.066 124.066 119.914 0.144 0.000 2.284 194 V HA 0.139 4.260 4.120 0.001 0.000 0.274 194 V C -1.457 174.718 176.094 0.135 0.000 1.023 194 V CA -1.456 60.960 62.300 0.193 0.000 0.808 194 V CB 0.922 32.924 31.823 0.298 0.000 1.035 194 V HN 0.446 nan 8.190 nan 0.000 0.445 195 P HA -0.159 nan 4.420 nan 0.000 0.216 195 P C 0.602 177.944 177.300 0.070 0.000 1.153 195 P CA 1.041 64.168 63.100 0.044 0.000 0.858 195 P CB 0.128 31.853 31.700 0.042 0.000 0.789 196 D N 0.097 120.573 120.400 0.126 0.000 2.455 196 D HA -0.057 4.584 4.640 0.001 0.000 0.265 196 D C -1.138 175.308 176.300 0.242 0.000 1.284 196 D CA -1.346 52.743 54.000 0.148 0.000 0.944 196 D CB 0.298 41.181 40.800 0.138 0.000 1.121 196 D HN 0.198 nan 8.370 nan 0.000 0.525 197 P HA -0.100 nan 4.420 nan 0.000 0.226 197 P C 0.420 177.847 177.300 0.210 0.000 1.153 197 P CA 0.700 63.912 63.100 0.187 0.000 0.777 197 P CB 0.335 32.085 31.700 0.082 0.000 0.794 198 R N -0.539 120.051 120.500 0.151 0.000 2.546 198 R HA 0.407 4.748 4.340 0.001 0.000 0.320 198 R C 0.585 176.925 176.300 0.067 0.000 1.021 198 R CA -0.376 55.783 56.100 0.098 0.000 1.088 198 R CB 0.397 30.747 30.300 0.083 0.000 1.278 198 R HN 0.029 nan 8.270 nan 0.000 0.557 199 A N 1.865 124.720 122.820 0.058 0.000 2.567 199 A HA 0.193 4.513 4.320 0.001 0.000 0.240 199 A C 0.964 178.510 177.584 -0.063 0.000 1.053 199 A CA -0.208 51.825 52.037 -0.007 0.000 0.755 199 A CB 0.105 19.084 19.000 -0.036 0.000 0.978 199 A HN 0.187 nan 8.150 nan 0.000 0.507 200 V N 1.576 121.487 119.914 -0.005 0.000 3.214 200 V HA 0.204 4.325 4.120 0.001 0.000 0.306 200 V C 1.220 177.283 176.094 -0.052 0.000 1.078 200 V CA -0.404 61.889 62.300 -0.011 0.000 1.077 200 V CB 0.309 32.164 31.823 0.054 0.000 1.121 200 V HN 0.846 nan 8.190 nan 0.000 0.468 201 N N 1.558 120.191 118.700 -0.112 0.000 2.091 201 N HA -0.206 4.535 4.740 0.001 0.000 0.193 201 N C 1.720 177.216 175.510 -0.023 0.000 1.021 201 N CA 2.008 54.955 53.050 -0.171 0.000 0.862 201 N CB -0.418 37.803 38.487 -0.443 0.000 1.018 201 N HN 0.912 nan 8.380 nan 0.000 0.429 202 Q N 0.307 120.097 119.800 -0.017 0.000 2.437 202 Q HA -0.043 4.298 4.340 0.001 0.000 0.210 202 Q C 0.196 176.223 176.000 0.045 0.000 0.972 202 Q CA 0.948 56.765 55.803 0.023 0.000 0.903 202 Q CB -0.087 28.662 28.738 0.019 0.000 0.967 202 Q HN 0.377 nan 8.270 nan 0.000 0.486 203 D N 1.301 121.726 120.400 0.042 0.000 2.366 203 D HA 0.047 4.688 4.640 0.001 0.000 0.205 203 D C -0.012 176.327 176.300 0.064 0.000 1.022 203 D CA 0.233 54.268 54.000 0.057 0.000 0.868 203 D CB 0.303 41.136 40.800 0.055 0.000 0.953 203 D HN 0.253 nan 8.370 nan 0.000 0.514 204 K N 1.569 122.010 120.400 0.069 0.000 2.480 204 K HA 0.131 4.452 4.320 0.001 0.000 0.241 204 K C 0.872 177.494 176.600 0.036 0.000 1.261 204 K CA 0.005 56.344 56.287 0.087 0.000 1.193 204 K CB 0.302 32.911 32.500 0.183 0.000 1.598 204 K HN -0.063 nan 8.250 nan 0.000 0.278 205 K N 0.890 121.247 120.400 -0.071 0.000 2.525 205 K HA -0.064 4.256 4.320 0.001 0.000 0.192 205 K C 0.779 177.115 176.600 -0.441 0.000 1.029 205 K CA 0.557 56.690 56.287 -0.257 0.000 1.029 205 K CB 0.049 32.345 32.500 -0.341 0.000 0.814 205 K HN 0.378 nan 8.250 nan 0.000 0.503 206 N N -0.226 118.318 118.700 -0.261 0.000 2.204 206 N HA 0.041 4.782 4.740 0.001 0.000 0.219 206 N C -0.133 175.306 175.510 -0.119 0.000 1.151 206 N CA -0.012 52.946 53.050 -0.154 0.000 0.867 206 N CB 0.396 38.897 38.487 0.023 0.000 1.043 206 N HN -0.102 nan 8.380 nan 0.000 0.516 207 M N 0.656 120.140 119.600 -0.193 0.000 2.664 207 M HA 0.489 4.970 4.480 0.001 0.000 0.314 207 M C -0.814 175.173 176.300 -0.523 0.000 1.200 207 M CA -0.641 54.428 55.300 -0.385 0.000 0.916 207 M CB 2.208 34.450 32.600 -0.596 0.000 1.717 207 M HN -0.083 nan 8.290 nan 0.000 0.470 208 L N 1.742 122.616 121.223 -0.582 0.000 2.362 208 L HA 0.575 4.916 4.340 0.001 0.000 0.275 208 L C -1.388 175.138 176.870 -0.572 0.000 0.998 208 L CA -0.424 54.166 54.840 -0.417 0.000 0.820 208 L CB 1.701 43.651 42.059 -0.182 0.000 1.270 208 L HN 0.507 nan 8.230 nan 0.000 0.415 209 F N 0.660 120.604 119.950 -0.010 0.000 2.443 209 F HA 0.306 4.834 4.527 0.001 0.000 0.335 209 F C 0.929 176.725 175.800 -0.006 0.000 1.104 209 F CA -0.561 57.431 58.000 -0.013 0.000 1.013 209 F CB 1.932 40.917 39.000 -0.025 0.000 1.136 209 F HN 0.341 nan 8.300 nan 0.000 0.470 210 S N 1.856 117.659 115.700 0.171 0.000 2.563 210 S HA 0.342 4.813 4.470 0.001 0.000 0.294 210 S C 1.047 175.715 174.600 0.112 0.000 1.279 210 S CA 1.032 59.298 58.200 0.109 0.000 1.069 210 S CB -0.172 63.081 63.200 0.089 0.000 0.828 210 S HN 1.207 nan 8.310 nan 0.000 0.497 211 G N 3.252 112.119 108.800 0.111 0.000 2.195 211 G HA2 -0.217 3.744 3.960 0.001 0.000 0.246 211 G HA3 -0.217 3.744 3.960 0.001 0.000 0.246 211 G C 0.372 175.348 174.900 0.126 0.000 0.984 211 G CA 0.302 45.486 45.100 0.139 0.000 0.633 211 G HN 0.877 nan 8.290 nan 0.000 0.525 212 T N 0.631 115.250 114.554 0.107 0.000 2.862 212 T HA 0.580 4.931 4.350 0.001 0.000 0.276 212 T C 0.245 175.003 174.700 0.096 0.000 0.974 212 T CA 0.409 62.567 62.100 0.097 0.000 0.966 212 T CB 0.905 69.852 68.868 0.132 0.000 1.072 212 T HN 0.918 nan 8.240 nan 0.000 0.538 213 N N -0.077 118.672 118.700 0.082 0.000 2.284 213 N HA 0.492 5.233 4.740 0.001 0.000 0.289 213 N C -1.724 173.817 175.510 0.051 0.000 1.179 213 N CA -0.775 52.316 53.050 0.068 0.000 0.774 213 N CB 0.610 39.142 38.487 0.075 0.000 1.548 213 N HN 0.252 nan 8.380 nan 0.000 0.473 214 I N 1.332 121.926 120.570 0.041 0.000 2.416 214 I HA 0.369 4.540 4.170 0.001 0.000 0.288 214 I C 1.115 177.251 176.117 0.032 0.000 1.051 214 I CA -0.166 61.155 61.300 0.034 0.000 1.375 214 I CB 1.102 39.120 38.000 0.030 0.000 1.407 214 I HN 0.957 nan 8.210 nan 0.000 0.516 215 A N 5.159 127.997 122.820 0.029 0.000 2.044 215 A HA 0.746 5.067 4.320 0.001 0.000 0.213 215 A C 0.839 178.437 177.584 0.023 0.000 1.169 215 A CA 0.918 52.969 52.037 0.023 0.000 0.724 215 A CB 0.046 19.056 19.000 0.017 0.000 0.840 215 A HN 0.784 nan 8.150 nan 0.000 0.463 216 A N -2.504 120.334 122.820 0.029 0.000 2.594 216 A HA 0.635 4.956 4.320 0.001 0.000 0.296 216 A C 0.213 177.824 177.584 0.046 0.000 1.056 216 A CA 0.185 52.244 52.037 0.037 0.000 0.693 216 A CB -0.058 18.964 19.000 0.036 0.000 1.278 216 A HN 2.133 nan 8.150 nan 0.000 0.408 217 G N 0.297 109.128 108.800 0.052 0.000 2.549 217 G HA2 0.380 4.340 3.960 0.001 0.000 0.404 217 G HA3 0.380 4.340 3.960 0.001 0.000 0.404 217 G C -0.616 174.313 174.900 0.048 0.000 1.292 217 G CA -0.034 45.100 45.100 0.056 0.000 0.935 217 G HN 1.475 nan 8.290 nan 0.000 0.512 218 K N -0.574 119.855 120.400 0.049 0.000 2.525 218 K HA 0.757 5.078 4.320 0.001 0.000 0.254 218 K C -0.511 176.115 176.600 0.045 0.000 0.934 218 K CA -0.089 56.225 56.287 0.046 0.000 0.802 218 K CB 1.672 34.202 32.500 0.049 0.000 1.295 218 K HN 2.090 nan 8.250 nan 0.000 0.433 219 A N 2.989 125.835 122.820 0.043 0.000 2.609 219 A HA 0.696 5.017 4.320 0.001 0.000 0.291 219 A C -2.199 175.412 177.584 0.045 0.000 1.096 219 A CA -0.747 51.313 52.037 0.038 0.000 0.684 219 A CB 1.566 20.582 19.000 0.027 0.000 1.282 219 A HN 0.569 nan 8.150 nan 0.000 0.412 220 L N 0.523 121.769 121.223 0.038 0.000 2.346 220 L HA 0.900 5.240 4.340 0.001 0.000 0.274 220 L C 0.320 177.204 176.870 0.023 0.000 1.007 220 L CA 0.589 55.456 54.840 0.046 0.000 0.818 220 L CB 1.999 44.074 42.059 0.027 0.000 1.284 220 L HN 1.257 nan 8.230 nan 0.000 0.424 221 G N 3.715 112.529 108.800 0.023 0.000 2.687 221 G HA2 0.526 4.487 3.960 0.001 0.000 0.291 221 G HA3 0.526 4.487 3.960 0.001 0.000 0.291 221 G C -2.062 172.836 174.900 -0.004 0.000 1.420 221 G CA -0.572 44.529 45.100 0.001 0.000 0.796 221 G HN 0.715 nan 8.290 nan 0.000 0.485 222 I N 0.548 121.107 120.570 -0.018 0.000 2.465 222 I HA 0.518 4.688 4.170 0.001 0.000 0.291 222 I C -0.355 175.719 176.117 -0.072 0.000 1.014 222 I CA -0.977 60.298 61.300 -0.041 0.000 1.093 222 I CB 1.945 39.944 38.000 -0.003 0.000 1.267 222 I HN 0.274 nan 8.210 nan 0.000 0.431 223 V N 8.252 128.087 119.914 -0.132 0.000 2.529 223 V HA 0.126 4.246 4.120 0.001 0.000 0.292 223 V C 1.072 177.086 176.094 -0.134 0.000 1.028 223 V CA 0.802 63.019 62.300 -0.138 0.000 1.074 223 V CB 0.608 32.337 31.823 -0.157 0.000 0.958 223 V HN 0.972 nan 8.190 nan 0.000 0.481 224 A N 4.567 127.353 122.820 -0.056 0.000 1.901 224 A HA 0.318 4.639 4.320 0.001 0.000 0.210 224 A C 1.064 178.627 177.584 -0.034 0.000 1.208 224 A CA 1.087 53.130 52.037 0.011 0.000 0.644 224 A CB 0.169 19.166 19.000 -0.005 0.000 0.863 224 A HN 0.864 nan 8.150 nan 0.000 0.454 225 T N -3.192 111.329 114.554 -0.054 0.000 2.864 225 T HA 0.608 4.958 4.350 0.001 0.000 0.299 225 T C -0.439 174.235 174.700 -0.042 0.000 1.166 225 T CA 0.118 62.179 62.100 -0.064 0.000 1.007 225 T CB 1.604 70.462 68.868 -0.016 0.000 1.219 225 T HN 0.747 nan 8.240 nan 0.000 0.506 226 T N -2.361 112.176 114.554 -0.030 0.000 2.696 226 T HA 0.815 5.166 4.350 0.001 0.000 0.291 226 T C 1.030 175.753 174.700 0.038 0.000 1.095 226 T CA 0.074 62.177 62.100 0.006 0.000 1.026 226 T CB 0.991 69.860 68.868 0.001 0.000 1.390 226 T HN 2.168 nan 8.240 nan 0.000 0.513 227 G N 0.253 109.085 108.800 0.053 0.000 2.634 227 G HA2 -0.321 3.639 3.960 0.001 0.000 0.309 227 G HA3 -0.321 3.639 3.960 0.001 0.000 0.309 227 G C 1.160 176.092 174.900 0.054 0.000 1.265 227 G CA 2.035 47.174 45.100 0.064 0.000 0.998 227 G HN 2.083 nan 8.290 nan 0.000 0.551 228 V N -2.231 117.715 119.914 0.053 0.000 3.217 228 V HA 0.277 4.398 4.120 0.001 0.000 0.264 228 V C 2.054 178.170 176.094 0.037 0.000 1.135 228 V CA 2.429 64.754 62.300 0.041 0.000 1.142 228 V CB 0.087 31.932 31.823 0.037 0.000 0.754 228 V HN 0.872 nan 8.190 nan 0.000 0.484 229 S N 1.686 117.412 115.700 0.044 0.000 2.840 229 S HA 0.187 4.657 4.470 0.001 0.000 0.235 229 S C 0.796 175.420 174.600 0.042 0.000 0.968 229 S CA 0.530 58.754 58.200 0.040 0.000 1.026 229 S CB -0.884 62.342 63.200 0.044 0.000 0.788 229 S HN 0.956 nan 8.310 nan 0.000 0.487 230 T N -1.924 112.657 114.554 0.045 0.000 2.927 230 T HA 0.457 4.808 4.350 0.001 0.000 0.286 230 T C 0.808 175.536 174.700 0.047 0.000 1.040 230 T CA -0.861 61.280 62.100 0.068 0.000 1.010 230 T CB 1.182 70.096 68.868 0.077 0.000 1.177 230 T HN -0.180 nan 8.240 nan 0.000 0.546 231 E N 0.242 120.481 120.200 0.064 0.000 2.058 231 E HA -0.091 4.260 4.350 0.001 0.000 0.194 231 E C 1.815 178.384 176.600 -0.051 0.000 0.997 231 E CA 1.067 57.441 56.400 -0.044 0.000 0.801 231 E CB -0.359 29.227 29.700 -0.191 0.000 0.746 231 E HN 0.710 nan 8.360 nan 0.000 0.450 232 I N 0.613 121.172 120.570 -0.018 0.000 2.454 232 I HA -0.152 4.019 4.170 0.001 0.000 0.254 232 I C 2.008 178.118 176.117 -0.012 0.000 1.156 232 I CA 1.301 62.584 61.300 -0.029 0.000 1.433 232 I CB -0.173 37.824 38.000 -0.006 0.000 1.082 232 I HN 0.056 nan 8.210 nan 0.000 0.432 233 G N 0.530 109.334 108.800 0.006 0.000 2.422 233 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 233 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 233 G C 1.693 176.590 174.900 -0.006 0.000 1.140 233 G CA 0.427 45.533 45.100 0.010 0.000 0.775 233 G HN 0.344 nan 8.290 nan 0.000 0.545 234 K N -0.148 120.239 120.400 -0.021 0.000 2.097 234 K HA 0.104 4.425 4.320 0.001 0.000 0.205 234 K C 2.352 178.926 176.600 -0.043 0.000 1.050 234 K CA 0.654 56.920 56.287 -0.035 0.000 0.938 234 K CB -0.166 32.302 32.500 -0.054 0.000 0.718 234 K HN 0.311 nan 8.250 nan 0.000 0.442 235 I N 0.915 121.456 120.570 -0.049 0.000 2.252 235 I HA -0.258 3.913 4.170 0.001 0.000 0.245 235 I C 2.710 178.808 176.117 -0.032 0.000 1.102 235 I CA 0.893 62.162 61.300 -0.051 0.000 1.385 235 I CB -0.204 37.757 38.000 -0.065 0.000 1.064 235 I HN 0.162 nan 8.210 nan 0.000 0.414 236 R N 1.146 121.634 120.500 -0.019 0.000 2.096 236 R HA -0.195 4.146 4.340 0.001 0.000 0.235 236 R C 1.606 177.900 176.300 -0.009 0.000 1.127 236 R CA 1.928 58.024 56.100 -0.006 0.000 0.968 236 R CB -0.465 29.839 30.300 0.008 0.000 0.861 236 R HN 0.301 nan 8.270 nan 0.000 0.440 237 D N 0.652 121.045 120.400 -0.012 0.000 2.097 237 D HA -0.136 4.504 4.640 0.001 0.000 0.197 237 D C 2.101 178.389 176.300 -0.021 0.000 0.984 237 D CA 1.055 55.048 54.000 -0.013 0.000 0.826 237 D CB -0.159 40.633 40.800 -0.013 0.000 0.973 237 D HN 0.325 nan 8.370 nan 0.000 0.460 238 Q N -0.379 119.403 119.800 -0.030 0.000 2.124 238 Q HA -0.077 4.263 4.340 0.001 0.000 0.202 238 Q C 2.232 178.214 176.000 -0.031 0.000 0.977 238 Q CA 0.861 56.642 55.803 -0.036 0.000 0.850 238 Q CB -0.131 28.579 28.738 -0.046 0.000 0.901 238 Q HN 0.407 nan 8.270 nan 0.000 0.429 239 M N -0.341 119.244 119.600 -0.026 0.000 2.349 239 M HA -0.043 4.438 4.480 0.001 0.000 0.266 239 M C 2.261 178.551 176.300 -0.017 0.000 1.076 239 M CA 0.859 56.147 55.300 -0.021 0.000 1.126 239 M CB -0.217 32.373 32.600 -0.016 0.000 1.392 239 M HN 0.161 nan 8.290 nan 0.000 0.440 240 A N 0.988 123.799 122.820 -0.014 0.000 1.877 240 A HA 0.072 4.392 4.320 0.001 0.000 0.216 240 A C 1.560 179.135 177.584 -0.014 0.000 1.186 240 A CA 1.339 53.370 52.037 -0.010 0.000 0.620 240 A CB -0.792 18.204 19.000 -0.007 0.000 0.822 240 A HN 0.447 nan 8.150 nan 0.000 0.443 241 A N 1.146 123.955 122.820 -0.018 0.000 2.752 241 A HA 0.429 4.750 4.320 0.001 0.000 0.292 241 A C 1.079 178.649 177.584 -0.022 0.000 1.597 241 A CA 0.590 52.614 52.037 -0.021 0.000 1.241 241 A CB -1.069 17.915 19.000 -0.026 0.000 1.061 241 A HN 0.644 nan 8.150 nan 0.000 0.576 242 T N -0.323 114.220 114.554 -0.020 0.000 3.564 242 T HA 0.430 4.781 4.350 0.001 0.000 0.266 242 T C 0.437 175.125 174.700 -0.021 0.000 1.106 242 T CA 0.101 62.189 62.100 -0.021 0.000 1.134 242 T CB -0.214 68.643 68.868 -0.019 0.000 2.476 242 T HN 0.818 nan 8.240 nan 0.000 0.471 243 E N 0.843 121.030 120.200 -0.021 0.000 2.246 243 E HA -0.213 4.137 4.350 0.001 0.000 0.211 243 E C -0.198 176.389 176.600 -0.022 0.000 1.278 243 E CA 0.013 56.401 56.400 -0.021 0.000 0.694 243 E CB -1.201 28.488 29.700 -0.019 0.000 1.166 243 E HN 0.619 nan 8.360 nan 0.000 0.370 244 Q N 1.487 121.274 119.800 -0.023 0.000 2.349 244 Q HA -0.040 4.301 4.340 0.001 0.000 0.287 244 Q C 0.027 176.014 176.000 -0.021 0.000 1.044 244 Q CA 0.305 56.094 55.803 -0.023 0.000 0.918 244 Q CB 0.643 29.366 28.738 -0.024 0.000 1.242 244 Q HN 0.246 nan 8.270 nan 0.000 0.405 245 D N 3.030 123.417 120.400 -0.021 0.000 2.364 245 D HA -0.006 4.635 4.640 0.001 0.000 0.236 245 D C -0.397 175.893 176.300 -0.017 0.000 1.221 245 D CA 0.613 54.602 54.000 -0.018 0.000 0.891 245 D CB 0.544 41.334 40.800 -0.018 0.000 1.190 245 D HN 0.440 nan 8.370 nan 0.000 0.449 246 K N 0.390 120.782 120.400 -0.013 0.000 2.218 246 K HA 0.176 4.497 4.320 0.001 0.000 0.276 246 K C 0.422 177.015 176.600 -0.012 0.000 1.022 246 K CA -0.470 55.810 56.287 -0.010 0.000 0.946 246 K CB 0.822 33.320 32.500 -0.004 0.000 1.000 246 K HN 0.442 nan 8.250 nan 0.000 0.468 247 T N -0.400 114.146 114.554 -0.013 0.000 2.903 247 T HA 0.037 4.388 4.350 0.001 0.000 0.314 247 T C -1.312 173.376 174.700 -0.020 0.000 1.078 247 T CA -1.362 60.725 62.100 -0.022 0.000 1.114 247 T CB 0.533 69.388 68.868 -0.022 0.000 0.987 247 T HN 0.384 nan 8.240 nan 0.000 0.548 248 P HA -0.142 nan 4.420 nan 0.000 0.217 248 P C 1.626 178.921 177.300 -0.007 0.000 1.148 248 P CA 0.625 63.705 63.100 -0.033 0.000 0.828 248 P CB 0.024 31.681 31.700 -0.072 0.000 0.783 249 L N -0.073 121.148 121.223 -0.004 0.000 2.093 249 L HA -0.093 4.248 4.340 0.001 0.000 0.208 249 L C 2.612 179.512 176.870 0.050 0.000 1.085 249 L CA 1.777 56.650 54.840 0.055 0.000 0.755 249 L CB -1.382 40.735 42.059 0.096 0.000 0.904 249 L HN -0.138 nan 8.230 nan 0.000 0.435 250 Q N -1.036 118.783 119.800 0.032 0.000 2.119 250 Q HA -0.219 4.122 4.340 0.001 0.000 0.201 250 Q C 2.225 178.247 176.000 0.038 0.000 0.972 250 Q CA 1.826 57.649 55.803 0.034 0.000 0.847 250 Q CB -0.153 28.596 28.738 0.019 0.000 0.903 250 Q HN 0.637 nan 8.270 nan 0.000 0.433 251 Q N 0.155 119.973 119.800 0.029 0.000 2.124 251 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 251 Q C 1.940 177.971 176.000 0.052 0.000 0.977 251 Q CA 0.784 56.606 55.803 0.032 0.000 0.850 251 Q CB 0.095 28.845 28.738 0.020 0.000 0.901 251 Q HN 0.142 nan 8.270 nan 0.000 0.429 252 K N 0.417 120.852 120.400 0.058 0.000 2.097 252 K HA -0.101 4.220 4.320 0.001 0.000 0.205 252 K C 2.010 178.676 176.600 0.109 0.000 1.050 252 K CA 0.782 57.116 56.287 0.078 0.000 0.938 252 K CB -0.122 32.421 32.500 0.072 0.000 0.718 252 K HN 0.137 nan 8.250 nan 0.000 0.442 253 L N 1.608 122.889 121.223 0.097 0.000 2.109 253 L HA -0.130 4.211 4.340 0.001 0.000 0.207 253 L C 1.830 178.805 176.870 0.174 0.000 1.086 253 L CA 1.556 56.478 54.840 0.137 0.000 0.760 253 L CB -0.360 41.755 42.059 0.094 0.000 0.910 253 L HN 0.106 nan 8.230 nan 0.000 0.437 254 D N -0.830 119.634 120.400 0.106 0.000 2.149 254 D HA -0.206 4.434 4.640 0.001 0.000 0.201 254 D C 1.974 178.318 176.300 0.074 0.000 0.972 254 D CA 1.007 55.052 54.000 0.075 0.000 0.835 254 D CB 0.200 41.026 40.800 0.042 0.000 0.966 254 D HN 0.496 nan 8.370 nan 0.000 0.476 255 E N 0.206 120.462 120.200 0.093 0.000 2.051 255 E HA -0.204 4.147 4.350 0.001 0.000 0.192 255 E C 2.094 178.760 176.600 0.109 0.000 0.991 255 E CA 0.629 57.080 56.400 0.084 0.000 0.799 255 E CB -0.293 29.461 29.700 0.090 0.000 0.748 255 E HN 0.160 nan 8.360 nan 0.000 0.449 256 F N 1.310 121.271 119.950 0.017 0.000 2.120 256 F HA -0.080 4.447 4.527 0.002 0.000 0.300 256 F C 1.988 177.792 175.800 0.008 0.000 1.095 256 F CA 2.179 60.189 58.000 0.017 0.000 1.249 256 F CB -0.817 38.193 39.000 0.017 0.000 0.995 256 F HN 0.091 nan 8.300 nan 0.000 0.480 257 G N -0.355 108.384 108.800 -0.102 0.000 2.418 257 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 257 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 257 G C 1.525 176.315 174.900 -0.183 0.000 1.158 257 G CA 0.828 45.804 45.100 -0.208 0.000 0.771 257 G HN 0.485 nan 8.290 nan 0.000 0.545 258 E N -0.114 120.029 120.200 -0.095 0.000 2.110 258 E HA -0.118 4.233 4.350 0.001 0.000 0.193 258 E C 2.713 179.254 176.600 -0.099 0.000 0.988 258 E CA 0.812 57.166 56.400 -0.075 0.000 0.804 258 E CB -0.032 29.647 29.700 -0.034 0.000 0.745 258 E HN 0.309 nan 8.360 nan 0.000 0.458 259 Q N 0.360 120.092 119.800 -0.113 0.000 2.083 259 Q HA -0.115 4.225 4.340 0.001 0.000 0.198 259 Q C 2.378 178.273 176.000 -0.175 0.000 0.969 259 Q CA 0.673 56.413 55.803 -0.105 0.000 0.838 259 Q CB -0.303 28.406 28.738 -0.049 0.000 0.900 259 Q HN 0.232 nan 8.270 nan 0.000 0.436 260 L N 1.321 122.342 121.223 -0.337 0.000 2.012 260 L HA -0.205 4.136 4.340 0.001 0.000 0.210 260 L C 2.396 179.132 176.870 -0.222 0.000 1.073 260 L CA 2.388 57.002 54.840 -0.377 0.000 0.748 260 L CB -0.895 40.763 42.059 -0.668 0.000 0.891 260 L HN 0.260 nan 8.230 nan 0.000 0.431 261 S N -1.422 114.166 115.700 -0.188 0.000 2.419 261 S HA -0.238 4.232 4.470 0.001 0.000 0.235 261 S C 1.989 176.527 174.600 -0.102 0.000 1.019 261 S CA 1.354 59.478 58.200 -0.127 0.000 0.982 261 S CB -0.577 62.561 63.200 -0.103 0.000 0.789 261 S HN 0.555 nan 8.310 nan 0.000 0.490 262 K N 0.542 120.884 120.400 -0.098 0.000 2.116 262 K HA 0.120 4.441 4.320 0.001 0.000 0.203 262 K C 2.116 178.671 176.600 -0.074 0.000 1.052 262 K CA 1.080 57.322 56.287 -0.074 0.000 0.952 262 K CB -0.328 32.136 32.500 -0.059 0.000 0.729 262 K HN 0.269 nan 8.250 nan 0.000 0.446 263 V N 1.978 121.840 119.914 -0.087 0.000 2.358 263 V HA -0.243 3.877 4.120 0.001 0.000 0.246 263 V C 2.192 178.228 176.094 -0.097 0.000 1.047 263 V CA 1.564 63.811 62.300 -0.087 0.000 1.035 263 V CB -0.396 31.374 31.823 -0.089 0.000 0.658 263 V HN 0.265 nan 8.190 nan 0.000 0.452 264 I N 0.174 120.685 120.570 -0.099 0.000 2.127 264 I HA -0.261 3.909 4.170 0.001 0.000 0.241 264 I C 2.630 178.704 176.117 -0.072 0.000 1.075 264 I CA 1.859 63.107 61.300 -0.087 0.000 1.334 264 I CB -0.499 37.449 38.000 -0.087 0.000 1.040 264 I HN 0.276 nan 8.210 nan 0.000 0.405 265 S N 0.835 116.493 115.700 -0.071 0.000 2.370 265 S HA -0.160 4.311 4.470 0.001 0.000 0.226 265 S C 1.993 176.569 174.600 -0.041 0.000 1.033 265 S CA 1.025 59.190 58.200 -0.059 0.000 1.011 265 S CB -0.409 62.754 63.200 -0.062 0.000 0.852 265 S HN 0.348 nan 8.310 nan 0.000 0.457 266 L N 1.538 122.731 121.223 -0.049 0.000 2.079 266 L HA -0.071 4.270 4.340 0.001 0.000 0.210 266 L C 1.860 178.707 176.870 -0.039 0.000 1.081 266 L CA 1.765 56.581 54.840 -0.040 0.000 0.752 266 L CB -0.907 41.119 42.059 -0.055 0.000 0.896 266 L HN 0.366 nan 8.230 nan 0.000 0.433 267 I N -1.556 118.970 120.570 -0.073 0.000 2.277 267 I HA -0.282 3.888 4.170 0.001 0.000 0.243 267 I C 2.683 178.836 176.117 0.059 0.000 1.094 267 I CA 0.773 62.022 61.300 -0.086 0.000 1.393 267 I CB -0.486 37.416 38.000 -0.164 0.000 1.078 267 I HN 0.229 nan 8.210 nan 0.000 0.417 268 C N 0.481 119.808 119.300 0.045 0.000 2.403 268 C HA -0.122 4.339 4.460 0.001 0.000 0.279 268 C C 2.878 177.975 174.990 0.178 0.000 1.269 268 C CA 0.656 59.732 59.018 0.098 0.000 1.774 268 C CB -0.785 26.968 27.740 0.021 0.000 1.993 268 C HN 0.362 nan 8.230 nan 0.000 0.496 269 V N 0.831 120.821 119.914 0.126 0.000 2.488 269 V HA -0.083 4.038 4.120 0.001 0.000 0.246 269 V C 2.640 178.905 176.094 0.285 0.000 1.046 269 V CA 1.873 64.274 62.300 0.168 0.000 1.053 269 V CB -1.125 30.741 31.823 0.071 0.000 0.679 269 V HN 0.565 nan 8.190 nan 0.000 0.458 270 A N 0.201 123.155 122.820 0.223 0.000 1.877 270 A HA -0.148 4.172 4.320 0.001 0.000 0.216 270 A C 2.356 180.148 177.584 0.346 0.000 1.186 270 A CA 2.007 54.200 52.037 0.261 0.000 0.620 270 A CB -0.691 18.433 19.000 0.206 0.000 0.822 270 A HN 0.330 nan 8.150 nan 0.000 0.443 271 V N -2.241 117.901 119.914 0.379 0.000 2.490 271 V HA -0.259 3.861 4.120 0.001 0.000 0.250 271 V C 2.150 178.480 176.094 0.394 0.000 1.061 271 V CA 1.803 64.301 62.300 0.329 0.000 1.064 271 V CB -0.980 30.985 31.823 0.237 0.000 0.670 271 V HN 0.843 nan 8.190 nan 0.000 0.461 272 W N 0.475 121.981 121.300 0.344 0.000 2.388 272 W HA -0.106 4.554 4.660 0.001 0.000 0.294 272 W C 2.059 178.737 176.519 0.264 0.000 1.212 272 W CA 1.389 58.996 57.345 0.437 0.000 1.271 272 W CB -0.110 29.499 29.460 0.248 0.000 1.126 272 W HN 0.176 nan 8.180 nan 0.000 0.535 273 L N 0.120 121.516 121.223 0.288 0.000 2.240 273 L HA -0.181 4.160 4.340 0.001 0.000 0.211 273 L C 2.101 178.985 176.870 0.024 0.000 1.106 273 L CA 0.377 55.269 54.840 0.086 0.000 0.793 273 L CB -0.805 41.364 42.059 0.183 0.000 0.927 273 L HN -0.071 nan 8.230 nan 0.000 0.446 274 I N 0.042 120.666 120.570 0.090 0.000 2.756 274 I HA -0.152 4.019 4.170 0.001 0.000 0.262 274 I C 0.384 176.499 176.117 -0.004 0.000 1.225 274 I CA 1.106 62.431 61.300 0.041 0.000 1.472 274 I CB -0.871 37.154 38.000 0.042 0.000 1.094 274 I HN 0.339 nan 8.210 nan 0.000 0.454 275 N N 0.727 119.432 118.700 0.009 0.000 2.813 275 N HA 0.324 5.065 4.740 0.001 0.000 0.282 275 N C 0.817 176.268 175.510 -0.099 0.000 1.748 275 N CA -0.004 53.053 53.050 0.011 0.000 0.860 275 N CB 1.414 40.066 38.487 0.275 0.000 1.204 275 N HN 0.215 nan 8.380 nan 0.000 0.490 276 I N -1.035 119.415 120.570 -0.199 0.000 3.708 276 I HA 0.098 4.269 4.170 0.001 0.000 0.302 276 I C 2.153 178.187 176.117 -0.138 0.000 1.255 276 I CA 0.289 61.431 61.300 -0.262 0.000 1.362 276 I CB 0.288 38.130 38.000 -0.264 0.000 1.100 276 I HN 0.277 nan 8.210 nan 0.000 0.434 277 G N 0.510 109.211 108.800 -0.165 0.000 2.586 277 G HA2 -0.191 3.770 3.960 0.001 0.000 0.215 277 G HA3 -0.191 3.770 3.960 0.001 0.000 0.215 277 G C 1.266 176.089 174.900 -0.128 0.000 1.128 277 G CA 0.358 45.373 45.100 -0.142 0.000 0.774 277 G HN 0.385 nan 8.290 nan 0.000 0.543 278 H N -1.008 118.040 119.070 -0.036 0.000 2.567 278 H HA 0.023 4.580 4.556 0.001 0.000 0.276 278 H C 0.910 176.236 175.328 -0.004 0.000 1.016 278 H CA 0.121 56.143 56.048 -0.044 0.000 1.186 278 H CB 0.048 29.778 29.762 -0.054 0.000 1.351 278 H HN 0.406 nan 8.280 nan 0.000 0.605 279 F N 0.811 120.727 119.950 -0.056 0.000 2.660 279 F HA 0.147 4.674 4.527 0.001 0.000 0.302 279 F C 0.919 176.687 175.800 -0.054 0.000 1.103 279 F CA -0.118 57.837 58.000 -0.076 0.000 1.340 279 F CB 0.299 39.259 39.000 -0.066 0.000 1.048 279 F HN -0.016 nan 8.300 nan 0.000 0.551 280 N N 0.290 118.960 118.700 -0.050 0.000 2.184 280 N HA 0.050 4.791 4.740 0.001 0.000 0.206 280 N C -0.862 174.586 175.510 -0.102 0.000 1.151 280 N CA 0.292 53.288 53.050 -0.090 0.000 0.878 280 N CB 0.345 38.806 38.487 -0.043 0.000 1.014 280 N HN 0.360 nan 8.380 nan 0.000 0.512 281 D N 0.031 120.371 120.400 -0.100 0.000 2.446 281 D HA 0.213 4.854 4.640 0.001 0.000 0.251 281 D C -1.927 174.307 176.300 -0.110 0.000 1.137 281 D CA -1.470 52.481 54.000 -0.082 0.000 0.890 281 D CB 1.502 42.276 40.800 -0.043 0.000 1.071 281 D HN -0.064 nan 8.370 nan 0.000 0.528 282 P HA -0.022 nan 4.420 nan 0.000 0.249 282 P C 0.510 177.782 177.300 -0.047 0.000 1.241 282 P CA -0.247 62.788 63.100 -0.107 0.000 0.781 282 P CB 0.298 31.937 31.700 -0.103 0.000 1.088 283 V N 3.009 122.905 119.914 -0.029 0.000 3.178 283 V HA -0.103 4.017 4.120 0.001 0.000 0.306 283 V C 2.223 178.347 176.094 0.051 0.000 1.107 283 V CA 0.177 62.499 62.300 0.036 0.000 1.195 283 V CB 0.224 32.060 31.823 0.022 0.000 0.993 283 V HN 0.343 nan 8.190 nan 0.000 0.493 284 H N 3.242 122.287 119.070 -0.041 0.000 2.559 284 H HA 0.070 4.627 4.556 0.001 0.000 0.273 284 H C 1.494 176.799 175.328 -0.040 0.000 1.000 284 H CA 1.085 57.115 56.048 -0.030 0.000 1.195 284 H CB -0.661 29.094 29.762 -0.012 0.000 1.368 284 H HN 0.696 nan 8.280 nan 0.000 0.592 285 G N 0.231 108.746 108.800 -0.474 0.000 2.956 285 G HA2 0.138 4.099 3.960 0.001 0.000 0.207 285 G HA3 0.138 4.099 3.960 0.001 0.000 0.207 285 G C 0.921 175.665 174.900 -0.259 0.000 1.162 285 G CA 0.264 45.096 45.100 -0.446 0.000 0.796 285 G HN 0.635 nan 8.290 nan 0.000 0.527 286 G N -0.255 108.424 108.800 -0.202 0.000 4.921 286 G HA2 0.370 4.331 3.960 0.001 0.000 0.248 286 G HA3 0.370 4.331 3.960 0.001 0.000 0.248 286 G C 0.083 174.866 174.900 -0.196 0.000 1.026 286 G CA 0.152 45.131 45.100 -0.202 0.000 0.825 286 G HN 0.300 nan 8.290 nan 0.000 0.538 287 S N -0.781 114.851 115.700 -0.114 0.000 2.572 287 S HA 0.076 4.546 4.470 0.001 0.000 0.267 287 S C 1.445 176.015 174.600 -0.050 0.000 1.361 287 S CA -0.029 58.145 58.200 -0.044 0.000 1.009 287 S CB 0.456 63.699 63.200 0.070 0.000 0.888 287 S HN 0.394 nan 8.310 nan 0.000 0.553 288 W N 2.035 123.352 121.300 0.028 0.000 2.342 288 W HA -0.049 4.612 4.660 0.002 0.000 0.297 288 W C 1.971 178.490 176.519 -0.000 0.000 1.213 288 W CA 0.485 57.845 57.345 0.025 0.000 1.251 288 W CB -0.595 28.882 29.460 0.027 0.000 1.136 288 W HN 0.593 nan 8.180 nan 0.000 0.526 289 I N -0.140 120.559 120.570 0.215 0.000 2.202 289 I HA -0.264 3.906 4.170 0.001 0.000 0.242 289 I C 2.679 178.839 176.117 0.070 0.000 1.091 289 I CA 1.470 62.836 61.300 0.110 0.000 1.368 289 I CB -0.742 37.334 38.000 0.126 0.000 1.058 289 I HN -0.063 nan 8.210 nan 0.000 0.410 290 R N 1.329 121.868 120.500 0.065 0.000 2.073 290 R HA -0.151 4.190 4.340 0.001 0.000 0.234 290 R C 2.336 178.671 176.300 0.059 0.000 1.134 290 R CA 1.871 57.998 56.100 0.044 0.000 0.952 290 R CB -0.589 29.706 30.300 -0.009 0.000 0.850 290 R HN 0.412 nan 8.270 nan 0.000 0.433 291 G N -0.112 108.711 108.800 0.038 0.000 2.402 291 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 291 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 291 G C 1.542 176.616 174.900 0.291 0.000 1.162 291 G CA 0.734 45.901 45.100 0.111 0.000 0.777 291 G HN 0.494 nan 8.290 nan 0.000 0.539 292 A N 1.072 123.992 122.820 0.167 0.000 1.883 292 A HA -0.045 4.275 4.320 0.001 0.000 0.217 292 A C 2.386 180.056 177.584 0.144 0.000 1.186 292 A CA 1.454 53.560 52.037 0.114 0.000 0.624 292 A CB -0.444 18.502 19.000 -0.090 0.000 0.822 292 A HN 0.389 nan 8.150 nan 0.000 0.444 293 I N -1.917 118.699 120.570 0.077 0.000 2.335 293 I HA -0.294 3.877 4.170 0.001 0.000 0.251 293 I C 2.459 178.729 176.117 0.255 0.000 1.129 293 I CA 1.783 63.142 61.300 0.100 0.000 1.402 293 I CB -0.431 37.614 38.000 0.075 0.000 1.069 293 I HN 0.545 nan 8.210 nan 0.000 0.424 294 Y N 0.854 121.259 120.300 0.176 0.000 2.200 294 Y HA -0.279 4.271 4.550 0.001 0.000 0.290 294 Y C 2.278 178.272 175.900 0.157 0.000 1.137 294 Y CA 1.454 59.634 58.100 0.132 0.000 1.163 294 Y CB -0.527 37.966 38.460 0.055 0.000 0.988 294 Y HN 0.081 nan 8.280 nan 0.000 0.518 295 Y N -1.857 118.507 120.300 0.105 0.000 2.263 295 Y HA -0.134 4.418 4.550 0.002 0.000 0.292 295 Y C 1.960 177.936 175.900 0.127 0.000 1.130 295 Y CA 1.360 59.505 58.100 0.075 0.000 1.179 295 Y CB -0.851 37.775 38.460 0.276 0.000 0.998 295 Y HN 0.030 nan 8.280 nan 0.000 0.532 296 F N -0.144 119.880 119.950 0.124 0.000 2.771 296 F HA -0.004 4.524 4.527 0.001 0.000 0.299 296 F C 1.972 177.775 175.800 0.005 0.000 1.177 296 F CA 0.524 58.554 58.000 0.049 0.000 1.450 296 F CB -0.252 38.767 39.000 0.033 0.000 1.114 296 F HN -0.100 nan 8.300 nan 0.000 0.587 297 K N 0.971 121.452 120.400 0.134 0.000 2.099 297 K HA 0.111 4.432 4.320 0.001 0.000 0.203 297 K C 1.883 178.461 176.600 -0.036 0.000 1.047 297 K CA 0.980 57.297 56.287 0.049 0.000 0.963 297 K CB -0.237 32.298 32.500 0.058 0.000 0.759 297 K HN 0.315 nan 8.250 nan 0.000 0.451 298 I N -2.536 117.943 120.570 -0.152 0.000 3.419 298 I HA 0.212 4.382 4.170 0.001 0.000 0.286 298 I C 1.730 177.795 176.117 -0.085 0.000 1.268 298 I CA 0.601 61.812 61.300 -0.149 0.000 1.414 298 I CB -0.025 37.805 38.000 -0.284 0.000 1.074 298 I HN -0.048 nan 8.210 nan 0.000 0.457 299 A N 2.324 125.098 122.820 -0.077 0.000 1.873 299 A HA -0.090 4.231 4.320 0.001 0.000 0.215 299 A C 2.412 179.953 177.584 -0.072 0.000 1.186 299 A CA 2.091 54.074 52.037 -0.090 0.000 0.616 299 A CB -0.966 17.924 19.000 -0.183 0.000 0.823 299 A HN 0.455 nan 8.150 nan 0.000 0.442 300 V N -2.888 116.997 119.914 -0.047 0.000 2.871 300 V HA 0.148 4.269 4.120 0.001 0.000 0.256 300 V C 2.329 178.421 176.094 -0.003 0.000 1.082 300 V CA 1.517 63.805 62.300 -0.020 0.000 1.105 300 V CB -1.028 30.800 31.823 0.009 0.000 0.713 300 V HN 0.466 nan 8.190 nan 0.000 0.473 301 A N 0.585 123.401 122.820 -0.006 0.000 1.898 301 A HA 0.134 4.455 4.320 0.001 0.000 0.214 301 A C 2.199 179.786 177.584 0.005 0.000 1.183 301 A CA 1.660 53.701 52.037 0.007 0.000 0.622 301 A CB -0.515 18.488 19.000 0.004 0.000 0.824 301 A HN 0.525 nan 8.150 nan 0.000 0.444 302 L N -0.740 120.479 121.223 -0.007 0.000 2.093 302 L HA -0.155 4.186 4.340 0.001 0.000 0.208 302 L C 3.098 179.958 176.870 -0.017 0.000 1.085 302 L CA 0.920 55.756 54.840 -0.007 0.000 0.755 302 L CB -0.472 41.580 42.059 -0.012 0.000 0.904 302 L HN 0.450 nan 8.230 nan 0.000 0.435 303 A N -0.245 122.560 122.820 -0.025 0.000 1.845 303 A HA -0.179 4.141 4.320 0.001 0.000 0.215 303 A C 2.267 179.847 177.584 -0.007 0.000 1.195 303 A CA 1.967 53.988 52.037 -0.027 0.000 0.616 303 A CB -0.969 18.012 19.000 -0.032 0.000 0.832 303 A HN 0.175 nan 8.150 nan 0.000 0.443 304 V N -0.134 119.785 119.914 0.008 0.000 2.469 304 V HA -0.239 3.881 4.120 0.001 0.000 0.251 304 V C 2.942 179.051 176.094 0.024 0.000 1.064 304 V CA 1.940 64.255 62.300 0.025 0.000 1.066 304 V CB -1.145 30.703 31.823 0.040 0.000 0.667 304 V HN 0.629 nan 8.190 nan 0.000 0.461 305 A N -0.518 122.312 122.820 0.017 0.000 2.016 305 A HA 0.143 4.464 4.320 0.001 0.000 0.217 305 A C 2.311 179.899 177.584 0.007 0.000 1.162 305 A CA 1.563 53.609 52.037 0.014 0.000 0.662 305 A CB -0.376 18.633 19.000 0.015 0.000 0.812 305 A HN 0.534 nan 8.150 nan 0.000 0.450 306 A N -0.321 122.500 122.820 0.003 0.000 1.943 306 A HA 0.327 4.648 4.320 0.001 0.000 0.213 306 A C 0.934 178.544 177.584 0.043 0.000 1.181 306 A CA 0.245 52.285 52.037 0.004 0.000 0.653 306 A CB -0.234 18.744 19.000 -0.036 0.000 0.833 306 A HN 0.402 nan 8.150 nan 0.000 0.451 307 I N 2.164 122.753 120.570 0.032 0.000 2.396 307 I HA 0.173 4.344 4.170 0.001 0.000 0.289 307 I C -2.185 173.974 176.117 0.069 0.000 1.056 307 I CA -1.982 59.358 61.300 0.066 0.000 1.365 307 I CB 1.330 39.351 38.000 0.035 0.000 1.407 307 I HN 0.117 nan 8.210 nan 0.000 0.509 308 P HA 0.149 nan 4.420 nan 0.000 0.256 308 P C -0.083 177.233 177.300 0.026 0.000 1.689 308 P CA -0.233 62.888 63.100 0.035 0.000 1.124 308 P CB 0.721 32.431 31.700 0.018 0.000 1.766 309 E N 2.450 122.661 120.200 0.019 0.000 2.147 309 E HA -0.173 4.178 4.350 0.001 0.000 0.199 309 E C 2.190 178.788 176.600 -0.004 0.000 1.005 309 E CA 2.171 58.581 56.400 0.017 0.000 0.810 309 E CB -0.773 28.940 29.700 0.023 0.000 0.736 309 E HN 0.553 nan 8.360 nan 0.000 0.460 310 G N -0.350 108.432 108.800 -0.029 0.000 2.939 310 G HA2 -0.061 3.900 3.960 0.001 0.000 0.210 310 G HA3 -0.061 3.900 3.960 0.001 0.000 0.210 310 G C 1.305 176.165 174.900 -0.067 0.000 1.160 310 G CA -0.003 45.063 45.100 -0.057 0.000 0.770 310 G HN 0.148 nan 8.290 nan 0.000 0.543 311 L N 2.285 123.485 121.223 -0.037 0.000 1.997 311 L HA -0.057 4.284 4.340 0.001 0.000 0.216 311 L C 0.359 177.217 176.870 -0.019 0.000 1.074 311 L CA 2.431 57.260 54.840 -0.018 0.000 0.763 311 L CB -0.928 41.144 42.059 0.020 0.000 0.890 311 L HN 0.115 nan 8.230 nan 0.000 0.434 312 P HA -0.146 nan 4.420 nan 0.000 0.220 312 P C 1.247 178.527 177.300 -0.034 0.000 1.148 312 P CA 1.973 65.071 63.100 -0.005 0.000 0.803 312 P CB -0.144 31.556 31.700 0.000 0.000 0.782 313 A N -0.203 122.581 122.820 -0.060 0.000 1.970 313 A HA -0.003 4.318 4.320 0.001 0.000 0.216 313 A C 2.373 179.876 177.584 -0.134 0.000 1.170 313 A CA 1.039 53.028 52.037 -0.079 0.000 0.645 313 A CB -1.316 17.637 19.000 -0.078 0.000 0.816 313 A HN 0.057 nan 8.150 nan 0.000 0.447 314 V N 0.252 120.042 119.914 -0.205 0.000 2.379 314 V HA -0.214 3.907 4.120 0.001 0.000 0.245 314 V C 2.372 178.246 176.094 -0.366 0.000 1.044 314 V CA 1.759 63.820 62.300 -0.398 0.000 1.036 314 V CB -0.680 30.753 31.823 -0.650 0.000 0.664 314 V HN 0.552 nan 8.190 nan 0.000 0.453 315 I N 0.128 120.603 120.570 -0.158 0.000 2.142 315 I HA -0.248 3.923 4.170 0.001 0.000 0.240 315 I C 2.621 178.745 176.117 0.012 0.000 1.078 315 I CA 1.960 63.283 61.300 0.038 0.000 1.343 315 I CB -0.755 37.311 38.000 0.109 0.000 1.046 315 I HN 0.292 nan 8.210 nan 0.000 0.405 316 T N 0.173 114.721 114.554 -0.010 0.000 2.635 316 T HA -0.207 4.144 4.350 0.001 0.000 0.267 316 T C 1.896 176.595 174.700 -0.003 0.000 1.040 316 T CA 2.262 64.366 62.100 0.006 0.000 1.156 316 T CB -0.470 68.401 68.868 0.005 0.000 0.863 316 T HN 0.382 nan 8.240 nan 0.000 0.430 317 T N 0.960 115.487 114.554 -0.045 0.000 2.720 317 T HA -0.166 4.185 4.350 0.001 0.000 0.268 317 T C 2.264 176.949 174.700 -0.025 0.000 1.037 317 T CA 1.308 63.382 62.100 -0.043 0.000 1.144 317 T CB -0.841 67.974 68.868 -0.089 0.000 0.864 317 T HN 0.543 nan 8.240 nan 0.000 0.444 318 C N 1.159 120.416 119.300 -0.070 0.000 2.442 318 C HA -0.025 4.436 4.460 0.001 0.000 0.279 318 C C 2.525 177.545 174.990 0.051 0.000 1.237 318 C CA 0.473 59.472 59.018 -0.032 0.000 1.722 318 C CB -1.406 26.337 27.740 0.006 0.000 2.056 318 C HN 0.375 nan 8.230 nan 0.000 0.469 319 L N 1.747 123.004 121.223 0.056 0.000 2.042 319 L HA -0.055 4.286 4.340 0.001 0.000 0.210 319 L C 2.897 179.799 176.870 0.054 0.000 1.076 319 L CA 2.413 57.290 54.840 0.060 0.000 0.749 319 L CB -1.510 40.584 42.059 0.058 0.000 0.893 319 L HN 0.488 nan 8.230 nan 0.000 0.432 320 A N -0.988 121.863 122.820 0.051 0.000 1.877 320 A HA -0.180 4.141 4.320 0.001 0.000 0.216 320 A C 2.331 179.945 177.584 0.051 0.000 1.186 320 A CA 1.726 53.796 52.037 0.055 0.000 0.620 320 A CB -0.756 18.279 19.000 0.058 0.000 0.822 320 A HN 0.403 nan 8.150 nan 0.000 0.443 321 L N -0.856 120.404 121.223 0.061 0.000 2.141 321 L HA -0.080 4.261 4.340 0.001 0.000 0.209 321 L C 2.774 179.679 176.870 0.059 0.000 1.094 321 L CA 0.904 55.782 54.840 0.063 0.000 0.763 321 L CB -0.641 41.493 42.059 0.126 0.000 0.908 321 L HN 0.503 nan 8.230 nan 0.000 0.437 322 G N -0.995 107.849 108.800 0.075 0.000 2.408 322 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 322 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 322 G C 1.585 176.507 174.900 0.037 0.000 1.150 322 G CA 1.114 46.251 45.100 0.062 0.000 0.776 322 G HN 0.243 nan 8.290 nan 0.000 0.542 323 T N 0.743 115.317 114.554 0.035 0.000 2.777 323 T HA -0.064 4.287 4.350 0.001 0.000 0.266 323 T C 2.496 177.206 174.700 0.017 0.000 1.040 323 T CA 0.961 63.075 62.100 0.023 0.000 1.141 323 T CB -0.132 68.751 68.868 0.025 0.000 0.868 323 T HN 0.272 nan 8.240 nan 0.000 0.444 324 R N 0.686 121.197 120.500 0.019 0.000 2.120 324 R HA 0.008 4.349 4.340 0.001 0.000 0.234 324 R C 2.627 178.929 176.300 0.002 0.000 1.123 324 R CA 0.986 57.092 56.100 0.010 0.000 0.975 324 R CB -0.207 30.097 30.300 0.008 0.000 0.866 324 R HN 0.278 nan 8.270 nan 0.000 0.446 325 R N 0.778 121.280 120.500 0.003 0.000 2.090 325 R HA -0.009 4.332 4.340 0.001 0.000 0.228 325 R C 2.171 178.472 176.300 0.002 0.000 1.110 325 R CA 1.153 57.252 56.100 -0.002 0.000 0.973 325 R CB 0.023 30.324 30.300 0.002 0.000 0.869 325 R HN 0.166 nan 8.270 nan 0.000 0.440 326 M N -0.234 119.369 119.600 0.005 0.000 2.175 326 M HA -0.050 4.431 4.480 0.001 0.000 0.264 326 M C 2.398 178.696 176.300 -0.004 0.000 1.063 326 M CA 1.507 56.807 55.300 0.000 0.000 1.119 326 M CB -0.157 32.443 32.600 -0.000 0.000 1.377 326 M HN 0.238 nan 8.290 nan 0.000 0.415 327 A N 0.732 123.551 122.820 -0.001 0.000 1.978 327 A HA -0.163 4.158 4.320 0.001 0.000 0.220 327 A C 2.135 179.718 177.584 -0.002 0.000 1.170 327 A CA 1.481 53.516 52.037 -0.002 0.000 0.636 327 A CB -0.482 18.519 19.000 0.001 0.000 0.810 327 A HN 0.381 nan 8.150 nan 0.000 0.448 328 K N -0.183 120.216 120.400 -0.002 0.000 2.148 328 K HA -0.052 4.269 4.320 0.001 0.000 0.204 328 K C 0.962 177.562 176.600 -0.001 0.000 1.050 328 K CA 0.829 57.116 56.287 -0.001 0.000 0.942 328 K CB -0.095 32.404 32.500 -0.002 0.000 0.724 328 K HN 0.328 nan 8.250 nan 0.000 0.446 329 K N 0.977 121.375 120.400 -0.003 0.000 2.505 329 K HA 0.048 4.369 4.320 0.001 0.000 0.192 329 K C -0.034 176.561 176.600 -0.008 0.000 1.025 329 K CA 0.014 56.299 56.287 -0.004 0.000 1.086 329 K CB 0.006 32.502 32.500 -0.006 0.000 0.840 329 K HN 0.162 nan 8.250 nan 0.000 0.514 330 N N -0.394 118.302 118.700 -0.007 0.000 2.901 330 N HA -0.154 4.587 4.740 0.001 0.000 0.248 330 N C -0.550 174.949 175.510 -0.018 0.000 1.044 330 N CA 1.010 54.054 53.050 -0.010 0.000 0.847 330 N CB -1.265 37.218 38.487 -0.007 0.000 1.127 330 N HN 0.285 nan 8.380 nan 0.000 0.562 331 A N 0.692 123.500 122.820 -0.020 0.000 2.316 331 A HA 0.634 4.955 4.320 0.001 0.000 0.324 331 A C 0.179 177.750 177.584 -0.021 0.000 1.375 331 A CA -0.438 51.582 52.037 -0.028 0.000 0.882 331 A CB 0.297 19.277 19.000 -0.035 0.000 1.152 331 A HN 0.153 nan 8.150 nan 0.000 0.512 332 I N 2.851 123.408 120.570 -0.021 0.000 2.379 332 I HA 0.166 4.336 4.170 0.001 0.000 0.290 332 I C 0.073 176.178 176.117 -0.021 0.000 1.063 332 I CA 0.178 61.467 61.300 -0.017 0.000 1.351 332 I CB 1.303 39.294 38.000 -0.017 0.000 1.410 332 I HN 0.320 nan 8.210 nan 0.000 0.505 333 V N 8.151 128.055 119.914 -0.017 0.000 2.383 333 V HA 0.308 4.429 4.120 0.001 0.000 0.275 333 V C 1.247 177.328 176.094 -0.021 0.000 1.036 333 V CA -0.506 61.783 62.300 -0.019 0.000 0.889 333 V CB 0.898 32.715 31.823 -0.011 0.000 0.985 333 V HN 0.663 nan 8.190 nan 0.000 0.459 334 R N 2.135 122.618 120.500 -0.028 0.000 2.280 334 R HA 0.157 4.498 4.340 0.001 0.000 0.195 334 R C 0.705 176.983 176.300 -0.037 0.000 0.935 334 R CA 0.257 56.336 56.100 -0.036 0.000 1.033 334 R CB 0.487 30.765 30.300 -0.038 0.000 0.964 334 R HN 0.552 nan 8.270 nan 0.000 0.489 335 S N 0.888 116.571 115.700 -0.028 0.000 2.745 335 S HA 0.196 4.667 4.470 0.001 0.000 0.283 335 S C 1.012 175.604 174.600 -0.013 0.000 1.170 335 S CA -0.618 57.567 58.200 -0.025 0.000 1.119 335 S CB 0.569 63.753 63.200 -0.027 0.000 1.035 335 S HN 0.032 nan 8.310 nan 0.000 0.483 336 L N 4.870 126.091 121.223 -0.004 0.000 2.021 336 L HA -0.035 4.305 4.340 0.001 0.000 0.215 336 L C -0.760 176.117 176.870 0.012 0.000 1.074 336 L CA 2.229 57.075 54.840 0.011 0.000 0.760 336 L CB -2.571 39.502 42.059 0.023 0.000 0.889 336 L HN 0.498 nan 8.230 nan 0.000 0.433 337 P HA -0.079 nan 4.420 nan 0.000 0.226 337 P C 1.704 179.001 177.300 -0.004 0.000 1.146 337 P CA 0.964 64.068 63.100 0.007 0.000 0.773 337 P CB 0.078 31.777 31.700 -0.000 0.000 0.772 338 S N -1.192 114.501 115.700 -0.010 0.000 2.414 338 S HA -0.071 4.399 4.470 0.001 0.000 0.227 338 S C 1.916 176.505 174.600 -0.020 0.000 1.022 338 S CA 0.742 58.930 58.200 -0.021 0.000 0.958 338 S CB -0.980 62.206 63.200 -0.024 0.000 0.797 338 S HN 0.002 nan 8.310 nan 0.000 0.493 339 V N 3.038 122.949 119.914 -0.005 0.000 2.278 339 V HA -0.307 3.814 4.120 0.001 0.000 0.251 339 V C 2.406 178.500 176.094 0.000 0.000 1.062 339 V CA 2.244 64.546 62.300 0.003 0.000 1.038 339 V CB -1.068 30.770 31.823 0.024 0.000 0.646 339 V HN 0.634 nan 8.190 nan 0.000 0.447 340 E N 0.444 120.647 120.200 0.005 0.000 2.051 340 E HA -0.198 4.153 4.350 0.001 0.000 0.192 340 E C 2.104 178.634 176.600 -0.117 0.000 0.991 340 E CA 1.812 58.199 56.400 -0.022 0.000 0.799 340 E CB -0.731 28.973 29.700 0.007 0.000 0.748 340 E HN 0.604 nan 8.360 nan 0.000 0.449 341 T N 1.879 116.378 114.554 -0.091 0.000 2.867 341 T HA -0.072 4.279 4.350 0.001 0.000 0.268 341 T C 1.882 176.530 174.700 -0.086 0.000 1.057 341 T CA 0.541 62.580 62.100 -0.102 0.000 1.136 341 T CB -0.176 68.650 68.868 -0.070 0.000 0.874 341 T HN 0.096 nan 8.240 nan 0.000 0.466 342 L N 0.925 122.111 121.223 -0.063 0.000 1.989 342 L HA -0.078 4.263 4.340 0.001 0.000 0.211 342 L C 2.820 179.657 176.870 -0.055 0.000 1.071 342 L CA 1.719 56.526 54.840 -0.054 0.000 0.749 342 L CB -0.928 41.105 42.059 -0.045 0.000 0.890 342 L HN 0.402 nan 8.230 nan 0.000 0.431 343 G N -1.727 107.042 108.800 -0.051 0.000 2.527 343 G HA2 -0.313 3.648 3.960 0.001 0.000 0.219 343 G HA3 -0.313 3.648 3.960 0.001 0.000 0.219 343 G C 1.537 176.400 174.900 -0.061 0.000 1.117 343 G CA 0.784 45.859 45.100 -0.040 0.000 0.759 343 G HN 0.550 nan 8.290 nan 0.000 0.556 344 C N 1.101 120.343 119.300 -0.098 0.000 2.697 344 C HA 0.331 4.791 4.460 0.001 0.000 0.267 344 C C 1.393 176.343 174.990 -0.066 0.000 1.278 344 C CA -0.191 58.762 59.018 -0.108 0.000 1.708 344 C CB -1.344 26.291 27.740 -0.175 0.000 1.860 344 C HN 0.235 nan 8.230 nan 0.000 0.589 345 T N 1.508 116.030 114.554 -0.053 0.000 2.902 345 T HA 0.124 4.475 4.350 0.001 0.000 0.301 345 T C 1.217 175.903 174.700 -0.023 0.000 1.012 345 T CA 0.937 63.015 62.100 -0.036 0.000 1.151 345 T CB 0.929 69.776 68.868 -0.034 0.000 0.946 345 T HN 0.702 nan 8.240 nan 0.000 0.542 346 S N 1.332 117.023 115.700 -0.015 0.000 2.549 346 S HA 0.298 4.769 4.470 0.001 0.000 0.225 346 S C 0.253 174.851 174.600 -0.003 0.000 1.039 346 S CA -0.414 57.781 58.200 -0.008 0.000 0.942 346 S CB 0.428 63.624 63.200 -0.007 0.000 0.881 346 S HN 0.415 nan 8.310 nan 0.000 0.503 347 V N 2.257 122.171 119.914 0.000 0.000 2.623 347 V HA 0.533 4.654 4.120 0.001 0.000 0.304 347 V C -1.029 175.073 176.094 0.013 0.000 1.054 347 V CA -0.739 61.566 62.300 0.008 0.000 0.882 347 V CB 1.698 33.527 31.823 0.010 0.000 1.002 347 V HN 0.377 nan 8.190 nan 0.000 0.424 348 I N 3.661 124.248 120.570 0.028 0.000 2.354 348 I HA 0.366 4.537 4.170 0.001 0.000 0.286 348 I C -0.205 175.946 176.117 0.057 0.000 1.007 348 I CA -0.139 61.186 61.300 0.041 0.000 1.167 348 I CB 1.274 39.319 38.000 0.074 0.000 1.320 348 I HN 0.548 nan 8.210 nan 0.000 0.458 349 C N 4.306 123.631 119.300 0.041 0.000 2.452 349 C HA 0.523 4.983 4.460 0.001 0.000 0.379 349 C C 0.697 175.724 174.990 0.062 0.000 1.275 349 C CA -0.110 58.933 59.018 0.042 0.000 2.056 349 C CB 0.665 28.413 27.740 0.015 0.000 2.506 349 C HN 0.771 nan 8.230 nan 0.000 0.560 350 S N 1.424 117.165 115.700 0.068 0.000 2.547 350 S HA 0.390 4.861 4.470 0.001 0.000 0.281 350 S C -0.946 173.684 174.600 0.050 0.000 1.118 350 S CA -0.527 57.726 58.200 0.089 0.000 0.947 350 S CB 1.112 64.405 63.200 0.154 0.000 1.053 350 S HN 0.866 nan 8.310 nan 0.000 0.482 351 D N 2.469 122.899 120.400 0.050 0.000 2.357 351 D HA 0.260 4.901 4.640 0.001 0.000 0.242 351 D C 0.934 177.244 176.300 0.018 0.000 1.153 351 D CA 0.055 54.072 54.000 0.028 0.000 0.918 351 D CB 0.866 41.681 40.800 0.026 0.000 1.181 351 D HN 0.551 nan 8.370 nan 0.000 0.435 352 K N 0.442 120.842 120.400 0.000 0.000 2.159 352 K HA 0.066 4.387 4.320 0.001 0.000 0.210 352 K C 0.059 176.649 176.600 -0.016 0.000 1.026 352 K CA 0.084 56.358 56.287 -0.021 0.000 0.959 352 K CB -0.171 32.311 32.500 -0.030 0.000 0.890 352 K HN 0.460 nan 8.250 nan 0.000 0.459 353 T N 1.137 115.685 114.554 -0.009 0.000 2.793 353 T HA 0.214 4.565 4.350 0.001 0.000 0.289 353 T C 0.644 175.345 174.700 0.002 0.000 0.956 353 T CA 0.829 62.925 62.100 -0.007 0.000 1.177 353 T CB 0.515 69.382 68.868 -0.001 0.000 0.897 353 T HN 0.687 nan 8.240 nan 0.000 0.533 354 G N 3.304 112.103 108.800 -0.002 0.000 2.176 354 G HA2 -0.306 3.654 3.960 0.001 0.000 0.253 354 G HA3 -0.306 3.654 3.960 0.001 0.000 0.253 354 G C 0.812 175.726 174.900 0.024 0.000 0.979 354 G CA 0.600 45.705 45.100 0.009 0.000 0.641 354 G HN 0.702 nan 8.290 nan 0.000 0.530 355 T N -0.396 114.175 114.554 0.029 0.000 3.311 355 T HA 0.304 4.655 4.350 0.001 0.000 0.239 355 T C 1.898 176.638 174.700 0.065 0.000 0.976 355 T CA 0.925 63.068 62.100 0.071 0.000 1.283 355 T CB -0.148 68.771 68.868 0.085 0.000 1.113 355 T HN 0.046 nan 8.240 nan 0.000 0.392 356 L N 2.100 123.319 121.223 -0.007 0.000 2.240 356 L HA 0.243 4.584 4.340 0.001 0.000 0.211 356 L C 1.449 178.265 176.870 -0.090 0.000 1.106 356 L CA 1.177 55.947 54.840 -0.116 0.000 0.793 356 L CB -0.926 41.033 42.059 -0.167 0.000 0.927 356 L HN 0.494 nan 8.230 nan 0.000 0.446 357 T N -5.814 108.707 114.554 -0.054 0.000 2.949 357 T HA 0.318 4.668 4.350 0.001 0.000 0.287 357 T C 1.193 175.869 174.700 -0.041 0.000 1.034 357 T CA 0.131 62.198 62.100 -0.055 0.000 1.018 357 T CB 1.337 70.173 68.868 -0.054 0.000 1.135 357 T HN 0.150 nan 8.240 nan 0.000 0.532 358 T N -1.775 112.744 114.554 -0.058 0.000 3.067 358 T HA 0.084 4.434 4.350 0.001 0.000 0.261 358 T C 0.988 175.646 174.700 -0.071 0.000 1.110 358 T CA 0.795 62.857 62.100 -0.064 0.000 1.113 358 T CB -0.927 67.881 68.868 -0.100 0.000 0.917 358 T HN 0.969 nan 8.240 nan 0.000 0.499 359 N N 0.954 119.613 118.700 -0.069 0.000 2.783 359 N HA -0.175 4.565 4.740 0.001 0.000 0.247 359 N C -1.188 174.263 175.510 -0.099 0.000 1.089 359 N CA 0.216 53.238 53.050 -0.046 0.000 0.690 359 N CB -0.816 37.669 38.487 -0.002 0.000 0.991 359 N HN 0.700 nan 8.380 nan 0.000 0.552 360 Q N 0.927 120.583 119.800 -0.240 0.000 2.444 360 Q HA 0.265 4.605 4.340 0.001 0.000 0.251 360 Q C -0.436 175.299 176.000 -0.442 0.000 0.939 360 Q CA -0.768 54.650 55.803 -0.642 0.000 0.740 360 Q CB 1.277 29.374 28.738 -1.068 0.000 1.308 360 Q HN 0.212 nan 8.270 nan 0.000 0.461 361 M N 1.793 121.321 119.600 -0.120 0.000 2.286 361 M HA 0.028 4.509 4.480 0.001 0.000 0.365 361 M C -0.393 175.901 176.300 -0.010 0.000 1.443 361 M CA 1.107 56.416 55.300 0.016 0.000 0.951 361 M CB -0.110 32.578 32.600 0.148 0.000 1.961 361 M HN 0.452 nan 8.290 nan 0.000 0.468 362 S N 2.952 118.632 115.700 -0.032 0.000 2.614 362 S HA 0.501 4.972 4.470 0.001 0.000 0.288 362 S C -0.600 173.989 174.600 -0.018 0.000 1.137 362 S CA -0.870 57.311 58.200 -0.032 0.000 0.992 362 S CB 1.863 65.017 63.200 -0.077 0.000 1.026 362 S HN 0.448 nan 8.310 nan 0.000 0.486 363 V N 3.138 123.048 119.914 -0.006 0.000 2.439 363 V HA 0.071 4.192 4.120 0.001 0.000 0.271 363 V C 1.209 177.283 176.094 -0.033 0.000 1.040 363 V CA -0.205 62.088 62.300 -0.010 0.000 1.002 363 V CB 0.118 31.939 31.823 -0.004 0.000 1.000 363 V HN 1.209 nan 8.190 nan 0.000 0.477 364 C N 2.712 121.978 119.300 -0.058 0.000 3.228 364 C HA 0.501 4.961 4.460 0.001 0.000 0.290 364 C C 0.590 175.514 174.990 -0.110 0.000 1.301 364 C CA -0.638 58.332 59.018 -0.080 0.000 1.703 364 C CB -0.953 26.728 27.740 -0.098 0.000 2.141 364 C HN 0.750 nan 8.230 nan 0.000 0.656 365 K N 1.263 121.584 120.400 -0.131 0.000 2.532 365 K HA 0.749 5.069 4.320 0.001 0.000 0.265 365 K C -0.995 175.641 176.600 0.060 0.000 0.948 365 K CA -0.282 55.893 56.287 -0.186 0.000 0.842 365 K CB 2.346 34.412 32.500 -0.723 0.000 1.392 365 K HN 0.556 nan 8.250 nan 0.000 0.436 366 M N 0.467 120.249 119.600 0.303 0.000 2.732 366 M HA 0.640 5.121 4.480 0.001 0.000 0.272 366 M C -1.829 174.859 176.300 0.645 0.000 1.203 366 M CA -0.971 54.588 55.300 0.432 0.000 0.841 366 M CB 2.022 34.715 32.600 0.155 0.000 1.685 366 M HN 0.612 nan 8.290 nan 0.000 0.492 367 F N 0.848 121.003 119.950 0.341 0.000 2.693 367 F HA 0.894 5.422 4.527 0.001 0.000 0.309 367 F C -1.745 174.130 175.800 0.125 0.000 1.129 367 F CA -1.042 57.111 58.000 0.255 0.000 0.948 367 F CB 1.249 40.349 39.000 0.166 0.000 1.315 367 F HN 0.869 nan 8.300 nan 0.000 0.447 368 I N -0.029 120.837 120.570 0.494 0.000 3.322 368 I HA 0.669 4.839 4.170 0.001 0.000 0.313 368 I C -1.314 175.005 176.117 0.337 0.000 1.129 368 I CA -1.456 60.025 61.300 0.301 0.000 0.963 368 I CB 2.167 40.248 38.000 0.134 0.000 1.273 368 I HN 0.466 nan 8.210 nan 0.000 0.473 369 I N 2.102 122.815 120.570 0.238 0.000 2.315 369 I HA 0.209 4.379 4.170 0.001 0.000 0.291 369 I C 0.284 176.460 176.117 0.099 0.000 1.006 369 I CA 0.198 61.596 61.300 0.163 0.000 1.265 369 I CB 0.586 38.692 38.000 0.177 0.000 1.387 369 I HN 0.786 nan 8.210 nan 0.000 0.475 370 D N 5.051 125.481 120.400 0.049 0.000 2.216 370 D HA 0.025 4.665 4.640 0.001 0.000 0.208 370 D C 0.537 176.864 176.300 0.044 0.000 0.960 370 D CA 1.233 55.268 54.000 0.058 0.000 0.861 370 D CB 0.773 41.594 40.800 0.035 0.000 0.985 370 D HN 0.563 nan 8.370 nan 0.000 0.493 371 K N -0.898 119.499 120.400 -0.005 0.000 2.587 371 K HA 0.485 4.806 4.320 0.001 0.000 0.276 371 K C -2.138 174.414 176.600 -0.079 0.000 0.956 371 K CA -0.814 55.469 56.287 -0.008 0.000 0.857 371 K CB 2.043 34.559 32.500 0.027 0.000 1.431 371 K HN -0.225 nan 8.250 nan 0.000 0.420 372 V N 2.744 122.637 119.914 -0.036 0.000 2.524 372 V HA 0.293 4.414 4.120 0.001 0.000 0.297 372 V C -1.217 174.884 176.094 0.011 0.000 1.035 372 V CA -0.694 61.571 62.300 -0.059 0.000 0.867 372 V CB 1.778 33.584 31.823 -0.028 0.000 1.004 372 V HN 0.790 nan 8.190 nan 0.000 0.426 373 D N 4.300 124.729 120.400 0.048 0.000 2.772 373 D HA 0.417 5.058 4.640 0.001 0.000 0.273 373 D C 1.110 177.470 176.300 0.100 0.000 1.233 373 D CA 0.911 54.983 54.000 0.120 0.000 0.984 373 D CB 1.313 42.259 40.800 0.243 0.000 1.000 373 D HN 0.838 nan 8.370 nan 0.000 0.514 374 G N 2.562 111.396 108.800 0.056 0.000 4.430 374 G HA2 -0.398 3.563 3.960 0.001 0.000 0.332 374 G HA3 -0.398 3.563 3.960 0.001 0.000 0.332 374 G C 0.960 175.883 174.900 0.037 0.000 1.338 374 G CA 0.511 45.637 45.100 0.044 0.000 1.024 374 G HN 0.404 nan 8.290 nan 0.000 0.750 375 D N 0.011 120.448 120.400 0.063 0.000 2.301 375 D HA 0.295 4.935 4.640 0.001 0.000 0.206 375 D C 0.821 177.176 176.300 0.091 0.000 0.979 375 D CA 0.311 54.346 54.000 0.058 0.000 0.874 375 D CB 0.147 40.983 40.800 0.059 0.000 0.968 375 D HN 0.244 nan 8.370 nan 0.000 0.510 376 F N 1.885 121.825 119.950 -0.018 0.000 2.397 376 F HA 0.418 4.945 4.527 0.001 0.000 0.331 376 F C -0.331 175.457 175.800 -0.020 0.000 1.090 376 F CA -1.390 56.596 58.000 -0.024 0.000 1.065 376 F CB 0.901 39.889 39.000 -0.021 0.000 1.184 376 F HN 0.062 nan 8.300 nan 0.000 0.499 377 C N 3.546 122.081 119.300 -1.275 0.000 2.782 377 C HA 0.825 5.286 4.460 0.001 0.000 0.328 377 C C -0.933 173.392 174.990 -1.108 0.000 1.145 377 C CA -0.413 58.021 59.018 -0.972 0.000 1.358 377 C CB 0.710 28.205 27.740 -0.410 0.000 1.841 377 C HN 1.082 nan 8.230 nan 0.000 0.477 378 S N 4.039 119.318 115.700 -0.703 0.000 2.451 378 S HA 0.776 5.246 4.470 0.001 0.000 0.301 378 S C -0.604 173.869 174.600 -0.212 0.000 1.116 378 S CA -0.682 57.298 58.200 -0.366 0.000 1.093 378 S CB 0.872 64.010 63.200 -0.104 0.000 1.017 378 S HN 0.878 nan 8.310 nan 0.000 0.482 379 L N 2.555 123.645 121.223 -0.223 0.000 2.343 379 L HA 0.514 4.854 4.340 0.001 0.000 0.275 379 L C 0.159 176.944 176.870 -0.142 0.000 1.056 379 L CA -0.879 53.834 54.840 -0.212 0.000 0.804 379 L CB 0.680 42.417 42.059 -0.535 0.000 1.203 379 L HN 0.657 nan 8.230 nan 0.000 0.440 380 N N 2.079 120.742 118.700 -0.062 0.000 2.546 380 N HA 0.178 4.919 4.740 0.001 0.000 0.238 380 N C -0.878 174.538 175.510 -0.155 0.000 0.984 380 N CA -0.258 52.689 53.050 -0.172 0.000 0.935 380 N CB 0.696 39.094 38.487 -0.149 0.000 1.122 380 N HN 0.571 nan 8.380 nan 0.000 0.510 381 E N 2.223 122.278 120.200 -0.241 0.000 2.231 381 E HA 0.386 4.737 4.350 0.001 0.000 0.277 381 E C -0.768 175.624 176.600 -0.346 0.000 0.999 381 E CA -0.330 56.053 56.400 -0.029 0.000 0.827 381 E CB 1.145 30.913 29.700 0.115 0.000 1.101 381 E HN 0.398 nan 8.360 nan 0.000 0.393 382 F N 0.286 120.297 119.950 0.101 0.000 2.603 382 F HA 0.396 4.924 4.527 0.001 0.000 0.317 382 F C 0.260 176.064 175.800 0.007 0.000 1.066 382 F CA -0.851 57.160 58.000 0.018 0.000 0.941 382 F CB 1.892 40.878 39.000 -0.022 0.000 1.291 382 F HN 0.354 nan 8.300 nan 0.000 0.472 383 S N 1.714 117.517 115.700 0.172 0.000 2.638 383 S HA 0.894 5.365 4.470 0.001 0.000 0.302 383 S C -1.424 173.205 174.600 0.049 0.000 1.096 383 S CA -0.711 57.518 58.200 0.047 0.000 0.953 383 S CB 2.012 65.205 63.200 -0.012 0.000 1.107 383 S HN 0.402 nan 8.310 nan 0.000 0.503 384 I N 2.272 122.842 120.570 0.000 0.000 2.499 384 I HA 0.383 4.554 4.170 0.001 0.000 0.288 384 I C 0.531 176.634 176.117 -0.023 0.000 1.048 384 I CA -0.367 60.928 61.300 -0.008 0.000 1.062 384 I CB 1.403 39.391 38.000 -0.020 0.000 1.238 384 I HN 1.007 nan 8.210 nan 0.000 0.426 385 T N 1.143 115.686 114.554 -0.019 0.000 2.881 385 T HA 0.832 5.183 4.350 0.001 0.000 0.278 385 T C 0.334 175.016 174.700 -0.030 0.000 0.982 385 T CA -0.244 61.841 62.100 -0.025 0.000 0.989 385 T CB 1.838 70.696 68.868 -0.017 0.000 1.058 385 T HN 1.417 nan 8.240 nan 0.000 0.529 386 G N -0.237 108.544 108.800 -0.032 0.000 2.906 386 G HA2 0.135 4.095 3.960 0.001 0.000 0.686 386 G HA3 0.135 4.095 3.960 0.001 0.000 0.686 386 G C -0.082 174.787 174.900 -0.051 0.000 1.170 386 G CA -0.269 44.809 45.100 -0.035 0.000 0.775 386 G HN 0.919 nan 8.290 nan 0.000 0.630 387 S N 0.105 115.771 115.700 -0.057 0.000 2.730 387 S HA 0.516 4.987 4.470 0.001 0.000 0.244 387 S C 0.980 175.504 174.600 -0.126 0.000 1.022 387 S CA 0.822 58.972 58.200 -0.083 0.000 1.014 387 S CB 0.554 63.713 63.200 -0.068 0.000 0.963 387 S HN 1.707 nan 8.310 nan 0.000 0.540 388 T N -2.254 112.229 114.554 -0.119 0.000 2.716 388 T HA 0.516 4.867 4.350 0.001 0.000 0.286 388 T C 0.071 174.683 174.700 -0.147 0.000 1.052 388 T CA -0.566 61.427 62.100 -0.178 0.000 1.024 388 T CB 0.432 69.270 68.868 -0.051 0.000 1.349 388 T HN -0.077 nan 8.240 nan 0.000 0.525 389 Y N 0.669 120.984 120.300 0.025 0.000 2.583 389 Y HA 0.482 5.032 4.550 0.001 0.000 0.293 389 Y C 1.886 177.738 175.900 -0.080 0.000 1.157 389 Y CA -0.239 57.861 58.100 0.001 0.000 1.315 389 Y CB -1.029 37.461 38.460 0.049 0.000 1.021 389 Y HN 0.853 nan 8.280 nan 0.000 0.536 390 A N 2.549 125.405 122.820 0.060 0.000 2.511 390 A HA 0.122 4.443 4.320 0.001 0.000 0.242 390 A C -1.681 175.748 177.584 -0.258 0.000 1.069 390 A CA -0.997 50.918 52.037 -0.203 0.000 0.763 390 A CB -0.227 18.828 19.000 0.092 0.000 1.001 390 A HN 0.096 nan 8.150 nan 0.000 0.498 391 P HA 0.101 nan 4.420 nan 0.000 0.249 391 P C -0.639 176.577 177.300 -0.140 0.000 1.686 391 P CA 0.462 63.417 63.100 -0.241 0.000 0.873 391 P CB -0.332 31.204 31.700 -0.274 0.000 1.828 392 E N 0.408 120.551 120.200 -0.096 0.000 2.176 392 E HA 0.656 5.007 4.350 0.001 0.000 0.267 392 E C 0.293 176.873 176.600 -0.033 0.000 0.893 392 E CA -0.722 55.652 56.400 -0.044 0.000 0.761 392 E CB 1.802 31.497 29.700 -0.009 0.000 1.133 392 E HN 0.239 nan 8.360 nan 0.000 0.409 393 G N 2.385 111.169 108.800 -0.026 0.000 2.347 393 G HA2 0.091 4.052 3.960 0.001 0.000 0.321 393 G HA3 0.091 4.052 3.960 0.001 0.000 0.321 393 G C -1.537 173.351 174.900 -0.020 0.000 1.412 393 G CA -0.991 44.096 45.100 -0.021 0.000 0.990 393 G HN 0.453 nan 8.290 nan 0.000 0.637 394 E N -1.175 119.018 120.200 -0.012 0.000 2.336 394 E HA 0.656 5.006 4.350 0.001 0.000 0.267 394 E C -0.892 175.709 176.600 0.002 0.000 0.906 394 E CA -1.155 55.242 56.400 -0.005 0.000 0.781 394 E CB 2.884 32.588 29.700 0.006 0.000 1.261 394 E HN 0.370 nan 8.360 nan 0.000 0.436 395 V N 2.527 122.444 119.914 0.006 0.000 2.406 395 V HA 0.248 4.369 4.120 0.001 0.000 0.272 395 V C -0.219 175.929 176.094 0.089 0.000 1.043 395 V CA -0.350 61.964 62.300 0.024 0.000 0.915 395 V CB 0.202 32.001 31.823 -0.039 0.000 0.988 395 V HN 0.441 nan 8.190 nan 0.000 0.466 396 L N 4.502 125.799 121.223 0.124 0.000 2.334 396 L HA 0.712 5.053 4.340 0.001 0.000 0.273 396 L C -0.337 176.643 176.870 0.184 0.000 1.013 396 L CA -0.947 53.970 54.840 0.129 0.000 0.816 396 L CB 1.977 44.074 42.059 0.064 0.000 1.278 396 L HN 0.445 nan 8.230 nan 0.000 0.431 397 K N 2.289 122.764 120.400 0.125 0.000 2.502 397 K HA 0.350 4.671 4.320 0.001 0.000 0.254 397 K C -0.355 176.239 176.600 -0.011 0.000 0.947 397 K CA -0.342 55.952 56.287 0.012 0.000 0.834 397 K CB 0.600 33.122 32.500 0.036 0.000 1.112 397 K HN 0.530 nan 8.250 nan 0.000 0.427 398 N N 4.333 123.005 118.700 -0.047 0.000 2.735 398 N HA -0.227 4.514 4.740 0.001 0.000 0.248 398 N C -1.027 174.479 175.510 -0.007 0.000 1.083 398 N CA 1.452 54.485 53.050 -0.029 0.000 0.703 398 N CB -0.908 37.565 38.487 -0.024 0.000 1.005 398 N HN 1.004 nan 8.380 nan 0.000 0.550 399 D N -2.380 118.020 120.400 0.001 0.000 3.077 399 D HA -0.183 4.458 4.640 0.001 0.000 0.212 399 D C -0.289 176.022 176.300 0.018 0.000 1.125 399 D CA 1.214 55.218 54.000 0.007 0.000 0.970 399 D CB -0.725 40.074 40.800 -0.002 0.000 1.110 399 D HN 0.565 nan 8.370 nan 0.000 0.419 400 K N 0.413 120.832 120.400 0.031 0.000 2.324 400 K HA 0.472 4.793 4.320 0.001 0.000 0.253 400 K C -2.721 173.915 176.600 0.061 0.000 0.932 400 K CA -1.733 54.577 56.287 0.039 0.000 0.799 400 K CB 2.192 34.714 32.500 0.036 0.000 1.154 400 K HN -0.235 nan 8.250 nan 0.000 0.425 401 P HA -0.022 nan 4.420 nan 0.000 0.265 401 P C -0.922 176.430 177.300 0.087 0.000 1.193 401 P CA 0.046 63.183 63.100 0.062 0.000 0.765 401 P CB 0.315 32.038 31.700 0.039 0.000 0.823 402 I N -0.431 120.206 120.570 0.112 0.000 3.095 402 I HA 0.628 4.799 4.170 0.001 0.000 0.310 402 I C -0.945 175.238 176.117 0.109 0.000 1.196 402 I CA -1.297 60.092 61.300 0.148 0.000 0.985 402 I CB 1.737 39.910 38.000 0.287 0.000 1.250 402 I HN -0.087 nan 8.210 nan 0.000 0.446 403 R N 2.256 122.814 120.500 0.096 0.000 2.198 403 R HA 0.436 4.777 4.340 0.001 0.000 0.339 403 R C 0.542 176.875 176.300 0.056 0.000 1.020 403 R CA -0.515 55.607 56.100 0.037 0.000 0.864 403 R CB 0.895 31.195 30.300 -0.000 0.000 1.105 403 R HN 0.878 nan 8.270 nan 0.000 0.463 404 S N 1.871 117.571 115.700 -0.001 0.000 2.402 404 S HA -0.162 4.309 4.470 0.001 0.000 0.233 404 S C 1.895 176.479 174.600 -0.027 0.000 1.030 404 S CA 1.765 59.940 58.200 -0.041 0.000 1.003 404 S CB -0.036 63.060 63.200 -0.174 0.000 0.813 404 S HN 0.871 nan 8.310 nan 0.000 0.477 405 G N 1.157 109.899 108.800 -0.096 0.000 2.501 405 G HA2 -0.208 3.753 3.960 0.001 0.000 0.220 405 G HA3 -0.208 3.753 3.960 0.001 0.000 0.220 405 G C 1.205 176.028 174.900 -0.129 0.000 1.114 405 G CA 0.373 45.384 45.100 -0.148 0.000 0.757 405 G HN 0.489 nan 8.290 nan 0.000 0.559 406 Q N -0.775 118.935 119.800 -0.149 0.000 2.488 406 Q HA 0.057 4.398 4.340 0.001 0.000 0.211 406 Q C -0.380 175.305 176.000 -0.524 0.000 0.967 406 Q CA 0.409 56.004 55.803 -0.347 0.000 0.926 406 Q CB 0.144 28.594 28.738 -0.480 0.000 0.992 406 Q HN 0.537 nan 8.270 nan 0.000 0.506 407 F N 0.264 120.186 119.950 -0.046 0.000 2.427 407 F HA 0.205 4.733 4.527 0.001 0.000 0.348 407 F C 0.809 176.571 175.800 -0.063 0.000 1.125 407 F CA -0.982 57.006 58.000 -0.021 0.000 0.989 407 F CB 1.387 40.400 39.000 0.021 0.000 1.165 407 F HN -0.210 nan 8.300 nan 0.000 0.442 408 D N 2.401 122.863 120.400 0.103 0.000 2.182 408 D HA -0.128 4.513 4.640 0.001 0.000 0.201 408 D C 2.237 178.556 176.300 0.033 0.000 0.986 408 D CA 1.378 55.402 54.000 0.039 0.000 0.847 408 D CB -0.083 40.741 40.800 0.040 0.000 0.942 408 D HN 0.817 nan 8.370 nan 0.000 0.467 409 G N 0.666 109.518 108.800 0.086 0.000 2.418 409 G HA2 -0.177 3.784 3.960 0.001 0.000 0.217 409 G HA3 -0.177 3.784 3.960 0.001 0.000 0.217 409 G C 1.764 176.638 174.900 -0.044 0.000 1.158 409 G CA 0.151 45.271 45.100 0.032 0.000 0.771 409 G HN 0.262 nan 8.290 nan 0.000 0.545 410 L N 0.273 121.466 121.223 -0.049 0.000 2.156 410 L HA -0.025 4.316 4.340 0.001 0.000 0.208 410 L C 2.931 179.689 176.870 -0.186 0.000 1.095 410 L CA 0.153 54.895 54.840 -0.165 0.000 0.770 410 L CB -0.358 41.556 42.059 -0.241 0.000 0.914 410 L HN 0.076 nan 8.230 nan 0.000 0.439 411 V N 0.207 120.019 119.914 -0.170 0.000 2.343 411 V HA -0.306 3.815 4.120 0.001 0.000 0.247 411 V C 2.473 178.454 176.094 -0.190 0.000 1.051 411 V CA 2.121 64.270 62.300 -0.252 0.000 1.036 411 V CB -0.351 31.334 31.823 -0.230 0.000 0.654 411 V HN 0.508 nan 8.190 nan 0.000 0.451 412 E N -0.157 119.962 120.200 -0.135 0.000 2.107 412 E HA -0.201 4.149 4.350 0.001 0.000 0.191 412 E C 2.246 178.720 176.600 -0.210 0.000 0.982 412 E CA 1.085 57.397 56.400 -0.148 0.000 0.809 412 E CB -0.087 29.562 29.700 -0.086 0.000 0.756 412 E HN 0.577 nan 8.360 nan 0.000 0.459 413 L N 0.423 121.531 121.223 -0.191 0.000 2.012 413 L HA -0.166 4.174 4.340 0.001 0.000 0.210 413 L C 2.441 179.185 176.870 -0.209 0.000 1.073 413 L CA 1.773 56.489 54.840 -0.206 0.000 0.748 413 L CB -0.372 41.570 42.059 -0.194 0.000 0.891 413 L HN 0.222 nan 8.230 nan 0.000 0.431 414 A N -1.093 121.605 122.820 -0.203 0.000 1.972 414 A HA -0.197 4.124 4.320 0.001 0.000 0.219 414 A C 2.210 179.681 177.584 -0.189 0.000 1.169 414 A CA 2.201 54.129 52.037 -0.182 0.000 0.635 414 A CB -1.038 17.849 19.000 -0.189 0.000 0.810 414 A HN 0.541 nan 8.150 nan 0.000 0.446 415 T N 0.338 114.749 114.554 -0.237 0.000 2.708 415 T HA -0.094 4.257 4.350 0.001 0.000 0.266 415 T C 1.785 176.196 174.700 -0.482 0.000 1.037 415 T CA 1.557 63.467 62.100 -0.317 0.000 1.146 415 T CB -0.390 68.254 68.868 -0.373 0.000 0.865 415 T HN 0.454 nan 8.240 nan 0.000 0.435 416 I N 0.671 120.934 120.570 -0.511 0.000 2.179 416 I HA -0.180 3.991 4.170 0.001 0.000 0.242 416 I C 2.638 178.630 176.117 -0.208 0.000 1.088 416 I CA 0.840 61.886 61.300 -0.424 0.000 1.357 416 I CB -0.464 37.373 38.000 -0.271 0.000 1.051 416 I HN 0.315 nan 8.210 nan 0.000 0.409 417 C N 0.744 119.942 119.300 -0.169 0.000 2.422 417 C HA -0.120 4.341 4.460 0.001 0.000 0.279 417 C C 3.153 178.093 174.990 -0.084 0.000 1.305 417 C CA 0.952 59.908 59.018 -0.104 0.000 1.757 417 C CB -1.244 26.438 27.740 -0.097 0.000 1.962 417 C HN 0.598 nan 8.230 nan 0.000 0.499 418 A N 0.089 122.847 122.820 -0.103 0.000 1.897 418 A HA 0.020 4.341 4.320 0.001 0.000 0.215 418 A C 2.082 179.636 177.584 -0.050 0.000 1.181 418 A CA 1.221 53.218 52.037 -0.067 0.000 0.620 418 A CB -0.428 18.536 19.000 -0.059 0.000 0.821 418 A HN 0.580 nan 8.150 nan 0.000 0.443 419 L N -1.445 119.734 121.223 -0.074 0.000 2.162 419 L HA -0.002 4.339 4.340 0.001 0.000 0.205 419 L C 1.402 178.291 176.870 0.031 0.000 1.086 419 L CA 0.255 55.090 54.840 -0.009 0.000 0.778 419 L CB -0.257 41.816 42.059 0.024 0.000 0.928 419 L HN 0.424 nan 8.230 nan 0.000 0.446 420 C N 2.563 121.875 119.300 0.021 0.000 2.615 420 C HA 0.334 4.795 4.460 0.001 0.000 0.503 420 C C 0.125 175.130 174.990 0.026 0.000 1.039 420 C CA -0.354 58.693 59.018 0.049 0.000 1.226 420 C CB -2.240 25.538 27.740 0.065 0.000 1.447 420 C HN 0.354 nan 8.230 nan 0.000 0.572 421 N N 1.634 120.348 118.700 0.023 0.000 2.493 421 N HA 0.218 4.958 4.740 0.001 0.000 0.279 421 N C -0.664 174.855 175.510 0.014 0.000 1.082 421 N CA -0.217 52.839 53.050 0.010 0.000 0.963 421 N CB 1.555 40.038 38.487 -0.007 0.000 1.627 421 N HN 0.362 nan 8.380 nan 0.000 0.499 422 D N 0.436 120.844 120.400 0.013 0.000 2.363 422 D HA 0.238 4.879 4.640 0.001 0.000 0.214 422 D C -0.144 176.157 176.300 0.001 0.000 1.093 422 D CA 0.443 54.453 54.000 0.016 0.000 0.837 422 D CB 0.618 41.433 40.800 0.025 0.000 0.948 422 D HN 0.306 nan 8.370 nan 0.000 0.507 423 S N -0.767 114.925 115.700 -0.013 0.000 2.798 423 S HA 0.784 5.254 4.470 0.001 0.000 0.312 423 S C 0.118 174.700 174.600 -0.030 0.000 1.122 423 S CA -0.600 57.583 58.200 -0.029 0.000 0.949 423 S CB 2.100 65.268 63.200 -0.053 0.000 1.235 423 S HN 0.208 nan 8.310 nan 0.000 0.552 424 S N -0.550 115.124 115.700 -0.044 0.000 2.757 424 S HA 0.764 5.235 4.470 0.001 0.000 0.285 424 S C -1.903 172.668 174.600 -0.047 0.000 1.196 424 S CA -0.687 57.494 58.200 -0.032 0.000 0.856 424 S CB 0.772 63.968 63.200 -0.006 0.000 1.212 424 S HN 0.475 nan 8.310 nan 0.000 0.516 425 L N 1.088 122.307 121.223 -0.007 0.000 2.341 425 L HA 0.892 5.233 4.340 0.001 0.000 0.267 425 L C -1.576 175.355 176.870 0.103 0.000 1.009 425 L CA 0.003 54.860 54.840 0.028 0.000 0.819 425 L CB 1.872 43.955 42.059 0.039 0.000 1.323 425 L HN 1.044 nan 8.230 nan 0.000 0.425 426 D N 1.553 122.047 120.400 0.158 0.000 2.947 426 D HA 0.291 4.932 4.640 0.001 0.000 0.224 426 D C -1.820 174.608 176.300 0.214 0.000 1.230 426 D CA -0.287 53.810 54.000 0.162 0.000 0.871 426 D CB 1.210 42.048 40.800 0.063 0.000 1.671 426 D HN 0.283 nan 8.370 nan 0.000 0.507 427 F N 4.069 124.029 119.950 0.017 0.000 2.391 427 F HA 0.397 4.925 4.527 0.001 0.000 0.359 427 F C -0.078 175.638 175.800 -0.140 0.000 1.122 427 F CA -0.816 57.056 58.000 -0.215 0.000 1.120 427 F CB 0.713 39.458 39.000 -0.425 0.000 1.142 427 F HN 0.270 nan 8.300 nan 0.000 0.483 428 N N 5.679 123.938 118.700 -0.736 0.000 2.415 428 N HA 0.004 4.745 4.740 0.001 0.000 0.250 428 N C 0.823 175.881 175.510 -0.753 0.000 1.127 428 N CA 0.326 53.056 53.050 -0.533 0.000 0.945 428 N CB 0.466 38.739 38.487 -0.356 0.000 1.196 428 N HN 0.809 nan 8.380 nan 0.000 0.499 429 E N 1.364 121.329 120.200 -0.392 0.000 2.204 429 E HA -0.137 4.214 4.350 0.001 0.000 0.195 429 E C 0.892 177.402 176.600 -0.151 0.000 0.990 429 E CA 1.345 57.638 56.400 -0.177 0.000 0.821 429 E CB 0.331 30.044 29.700 0.020 0.000 0.750 429 E HN 0.625 nan 8.360 nan 0.000 0.477 430 T N 1.016 115.477 114.554 -0.155 0.000 2.732 430 T HA -0.084 4.266 4.350 0.001 0.000 0.261 430 T C 1.681 176.309 174.700 -0.121 0.000 1.040 430 T CA 0.954 62.992 62.100 -0.104 0.000 1.145 430 T CB -0.055 68.764 68.868 -0.082 0.000 0.866 430 T HN 0.072 nan 8.240 nan 0.000 0.427 431 K N 0.523 120.819 120.400 -0.173 0.000 2.366 431 K HA 0.205 4.526 4.320 0.001 0.000 0.198 431 K C 1.451 177.943 176.600 -0.180 0.000 1.044 431 K CA 0.475 56.672 56.287 -0.151 0.000 0.973 431 K CB 0.024 32.437 32.500 -0.144 0.000 0.767 431 K HN 0.432 nan 8.250 nan 0.000 0.475 432 G N 1.660 110.272 108.800 -0.314 0.000 2.176 432 G HA2 -0.241 3.720 3.960 0.001 0.000 0.252 432 G HA3 -0.241 3.720 3.960 0.001 0.000 0.252 432 G C 0.027 174.758 174.900 -0.280 0.000 1.024 432 G CA 0.424 45.369 45.100 -0.259 0.000 0.755 432 G HN 0.269 nan 8.290 nan 0.000 0.507 433 V N -4.408 115.173 119.914 -0.555 0.000 3.159 433 V HA 0.848 4.969 4.120 0.001 0.000 0.308 433 V C -0.119 175.763 176.094 -0.353 0.000 1.190 433 V CA -2.528 59.636 62.300 -0.226 0.000 1.037 433 V CB 1.340 33.145 31.823 -0.031 0.000 1.060 433 V HN 0.298 nan 8.190 nan 0.000 0.437 434 Y N 0.591 120.968 120.300 0.127 0.000 2.301 434 Y HA 0.665 5.216 4.550 0.001 0.000 0.325 434 Y C 0.714 176.683 175.900 0.116 0.000 1.203 434 Y CA 0.176 58.381 58.100 0.175 0.000 1.255 434 Y CB 1.115 39.735 38.460 0.266 0.000 1.232 434 Y HN 0.715 nan 8.280 nan 0.000 0.501 435 E N 1.758 122.090 120.200 0.220 0.000 2.393 435 E HA 0.299 4.650 4.350 0.001 0.000 0.273 435 E C -1.253 175.341 176.600 -0.009 0.000 0.918 435 E CA -1.405 55.069 56.400 0.125 0.000 0.773 435 E CB 2.252 31.973 29.700 0.036 0.000 1.275 435 E HN 0.486 nan 8.360 nan 0.000 0.451 436 K N -0.165 120.122 120.400 -0.188 0.000 2.126 436 K HA 0.471 4.792 4.320 0.001 0.000 0.257 436 K C -0.669 175.839 176.600 -0.153 0.000 1.007 436 K CA -0.549 55.526 56.287 -0.353 0.000 0.928 436 K CB 0.920 33.038 32.500 -0.638 0.000 1.013 436 K HN 0.157 nan 8.250 nan 0.000 0.473 437 V N 1.775 121.610 119.914 -0.132 0.000 2.398 437 V HA 0.521 4.642 4.120 0.001 0.000 0.282 437 V C 0.266 176.319 176.094 -0.069 0.000 1.014 437 V CA 0.246 62.506 62.300 -0.067 0.000 0.838 437 V CB 0.116 31.918 31.823 -0.036 0.000 1.018 437 V HN 1.212 nan 8.190 nan 0.000 0.432 438 G N 4.309 113.075 108.800 -0.058 0.000 2.337 438 G HA2 -0.060 3.901 3.960 0.001 0.000 0.197 438 G HA3 -0.060 3.901 3.960 0.001 0.000 0.197 438 G C -0.807 174.060 174.900 -0.055 0.000 1.238 438 G CA -0.807 44.266 45.100 -0.046 0.000 1.119 438 G HN 0.490 nan 8.290 nan 0.000 0.514 439 E N 0.582 120.754 120.200 -0.047 0.000 2.373 439 E HA 0.480 4.830 4.350 0.001 0.000 0.267 439 E C 1.489 178.062 176.600 -0.046 0.000 1.032 439 E CA 0.283 56.661 56.400 -0.038 0.000 0.889 439 E CB 1.322 30.999 29.700 -0.038 0.000 0.984 439 E HN 1.028 nan 8.360 nan 0.000 0.425 440 A N 2.850 125.670 122.820 -0.001 0.000 1.902 440 A HA -0.194 4.127 4.320 0.001 0.000 0.217 440 A C 2.092 179.725 177.584 0.081 0.000 1.181 440 A CA 2.280 54.359 52.037 0.069 0.000 0.623 440 A CB -0.843 18.250 19.000 0.156 0.000 0.818 440 A HN 0.707 nan 8.150 nan 0.000 0.443 441 T N -2.304 112.273 114.554 0.040 0.000 2.962 441 T HA -0.052 4.299 4.350 0.001 0.000 0.270 441 T C 1.464 176.173 174.700 0.014 0.000 1.088 441 T CA 1.417 63.536 62.100 0.032 0.000 1.127 441 T CB -0.204 68.667 68.868 0.006 0.000 0.883 441 T HN 0.635 nan 8.240 nan 0.000 0.493 442 E N 0.747 120.941 120.200 -0.010 0.000 2.140 442 E HA -0.003 4.347 4.350 0.001 0.000 0.191 442 E C 2.276 178.857 176.600 -0.031 0.000 0.973 442 E CA 1.008 57.396 56.400 -0.020 0.000 0.829 442 E CB -0.125 29.557 29.700 -0.029 0.000 0.781 442 E HN 0.475 nan 8.360 nan 0.000 0.466 443 T N 1.365 115.879 114.554 -0.068 0.000 2.833 443 T HA -0.111 4.239 4.350 0.001 0.000 0.269 443 T C 2.012 176.707 174.700 -0.009 0.000 1.054 443 T CA 1.053 63.075 62.100 -0.128 0.000 1.135 443 T CB -0.128 68.495 68.868 -0.408 0.000 0.869 443 T HN 0.192 nan 8.240 nan 0.000 0.466 444 A N 1.210 124.088 122.820 0.096 0.000 1.940 444 A HA -0.022 4.299 4.320 0.001 0.000 0.219 444 A C 2.123 179.739 177.584 0.054 0.000 1.176 444 A CA 1.153 53.277 52.037 0.145 0.000 0.631 444 A CB -0.653 18.425 19.000 0.129 0.000 0.814 444 A HN 0.347 nan 8.150 nan 0.000 0.446 445 L N -0.475 120.760 121.223 0.019 0.000 2.109 445 L HA -0.072 4.269 4.340 0.001 0.000 0.207 445 L C 2.666 179.523 176.870 -0.021 0.000 1.086 445 L CA 2.268 57.102 54.840 -0.010 0.000 0.760 445 L CB -1.210 40.838 42.059 -0.018 0.000 0.910 445 L HN 0.361 nan 8.230 nan 0.000 0.437 446 T N -1.498 113.043 114.554 -0.020 0.000 2.737 446 T HA -0.179 4.171 4.350 0.001 0.000 0.265 446 T C 1.847 176.531 174.700 -0.026 0.000 1.038 446 T CA 1.869 63.952 62.100 -0.029 0.000 1.144 446 T CB -0.373 68.472 68.868 -0.039 0.000 0.866 446 T HN 0.562 nan 8.240 nan 0.000 0.434 447 T N 1.084 115.636 114.554 -0.004 0.000 2.951 447 T HA 0.007 4.358 4.350 0.001 0.000 0.268 447 T C 2.002 176.685 174.700 -0.029 0.000 1.073 447 T CA 0.772 62.864 62.100 -0.014 0.000 1.134 447 T CB -0.540 68.352 68.868 0.041 0.000 0.884 447 T HN 0.193 nan 8.240 nan 0.000 0.479 448 L N 2.354 123.563 121.223 -0.022 0.000 2.042 448 L HA 0.015 4.356 4.340 0.001 0.000 0.210 448 L C 2.709 179.542 176.870 -0.062 0.000 1.076 448 L CA 2.152 56.968 54.840 -0.041 0.000 0.749 448 L CB -0.832 41.203 42.059 -0.040 0.000 0.893 448 L HN 0.350 nan 8.230 nan 0.000 0.432 449 V N -3.027 116.850 119.914 -0.061 0.000 2.548 449 V HA -0.108 4.012 4.120 0.001 0.000 0.249 449 V C 2.339 178.397 176.094 -0.060 0.000 1.055 449 V CA 1.516 63.773 62.300 -0.071 0.000 1.065 449 V CB -0.820 30.965 31.823 -0.063 0.000 0.681 449 V HN 0.446 nan 8.190 nan 0.000 0.462 450 E N 1.206 121.374 120.200 -0.054 0.000 2.110 450 E HA -0.157 4.194 4.350 0.001 0.000 0.193 450 E C 2.183 178.747 176.600 -0.060 0.000 0.988 450 E CA 1.627 57.994 56.400 -0.055 0.000 0.804 450 E CB -0.267 29.388 29.700 -0.075 0.000 0.745 450 E HN 0.721 nan 8.360 nan 0.000 0.458 451 K N -0.109 120.253 120.400 -0.064 0.000 2.062 451 K HA 0.055 4.375 4.320 0.001 0.000 0.205 451 K C 2.283 178.844 176.600 -0.065 0.000 1.051 451 K CA 0.929 57.180 56.287 -0.060 0.000 0.941 451 K CB -0.088 32.379 32.500 -0.055 0.000 0.719 451 K HN 0.067 nan 8.250 nan 0.000 0.440 452 M N 0.677 120.228 119.600 -0.083 0.000 2.175 452 M HA -0.106 4.375 4.480 0.001 0.000 0.264 452 M C 0.486 176.723 176.300 -0.104 0.000 1.063 452 M CA 0.569 55.803 55.300 -0.109 0.000 1.119 452 M CB -0.375 32.137 32.600 -0.147 0.000 1.377 452 M HN 0.123 nan 8.290 nan 0.000 0.415 453 N N 1.066 119.716 118.700 -0.084 0.000 2.689 453 N HA -0.136 4.605 4.740 0.001 0.000 0.263 453 N C 0.520 175.961 175.510 -0.114 0.000 0.987 453 N CA 0.626 53.640 53.050 -0.060 0.000 0.782 453 N CB -0.635 37.832 38.487 -0.033 0.000 0.903 453 N HN 0.380 nan 8.380 nan 0.000 0.547 454 V N -2.788 116.988 119.914 -0.230 0.000 2.546 454 V HA -0.164 3.957 4.120 0.001 0.000 0.254 454 V C 1.635 177.412 176.094 -0.528 0.000 1.076 454 V CA 1.726 63.775 62.300 -0.419 0.000 1.087 454 V CB -0.810 30.639 31.823 -0.622 0.000 0.674 454 V HN 0.264 nan 8.190 nan 0.000 0.470 455 F N 1.286 121.212 119.950 -0.039 0.000 2.660 455 F HA 0.453 4.981 4.527 0.001 0.000 0.302 455 F C 1.124 176.907 175.800 -0.028 0.000 1.103 455 F CA -0.749 57.231 58.000 -0.033 0.000 1.340 455 F CB -0.794 38.186 39.000 -0.033 0.000 1.048 455 F HN 0.227 nan 8.300 nan 0.000 0.551 456 N N 0.541 119.277 118.700 0.061 0.000 2.727 456 N HA -0.173 4.568 4.740 0.001 0.000 0.249 456 N C -0.227 175.316 175.510 0.055 0.000 1.048 456 N CA 0.951 54.024 53.050 0.039 0.000 0.714 456 N CB -1.820 36.682 38.487 0.026 0.000 0.959 456 N HN 0.147 nan 8.380 nan 0.000 0.544 457 T N 1.494 116.090 114.554 0.069 0.000 2.901 457 T HA 0.077 4.428 4.350 0.001 0.000 0.301 457 T C 0.862 175.578 174.700 0.026 0.000 1.012 457 T CA -0.424 61.708 62.100 0.053 0.000 1.135 457 T CB 1.007 69.911 68.868 0.060 0.000 0.936 457 T HN 0.131 nan 8.240 nan 0.000 0.539 458 E N 2.970 123.181 120.200 0.018 0.000 2.299 458 E HA 0.148 4.499 4.350 0.001 0.000 0.272 458 E C 0.592 177.196 176.600 0.006 0.000 1.043 458 E CA -0.428 55.978 56.400 0.009 0.000 0.895 458 E CB 0.751 30.454 29.700 0.006 0.000 1.011 458 E HN 0.482 nan 8.360 nan 0.000 0.432 459 V N 0.946 120.862 119.914 0.002 0.000 3.451 459 V HA 0.077 4.198 4.120 0.001 0.000 0.288 459 V C 1.627 177.718 176.094 -0.005 0.000 1.502 459 V CA -0.252 62.047 62.300 -0.001 0.000 1.026 459 V CB 0.055 31.876 31.823 -0.003 0.000 0.840 459 V HN 0.529 nan 8.190 nan 0.000 0.437 460 R N 3.357 123.854 120.500 -0.004 0.000 2.241 460 R HA -0.051 4.289 4.340 0.001 0.000 0.224 460 R C 1.018 177.313 176.300 -0.008 0.000 1.101 460 R CA 1.820 57.917 56.100 -0.006 0.000 0.995 460 R CB -1.333 28.965 30.300 -0.004 0.000 0.870 460 R HN 0.789 nan 8.270 nan 0.000 0.463 461 N N 0.640 119.335 118.700 -0.008 0.000 2.234 461 N HA 0.096 4.837 4.740 0.001 0.000 0.227 461 N C -0.109 175.393 175.510 -0.013 0.000 1.151 461 N CA -0.236 52.809 53.050 -0.010 0.000 0.865 461 N CB 0.213 38.696 38.487 -0.007 0.000 1.066 461 N HN 0.133 nan 8.380 nan 0.000 0.515 462 L N 1.112 122.326 121.223 -0.015 0.000 2.399 462 L HA 0.366 4.707 4.340 0.001 0.000 0.265 462 L C 0.982 177.831 176.870 -0.035 0.000 1.089 462 L CA -0.931 53.899 54.840 -0.017 0.000 0.802 462 L CB 1.312 43.366 42.059 -0.008 0.000 1.180 462 L HN 0.102 nan 8.230 nan 0.000 0.454 463 S N 0.605 116.278 115.700 -0.044 0.000 2.614 463 S HA 0.192 4.663 4.470 0.001 0.000 0.265 463 S C 0.899 175.418 174.600 -0.135 0.000 1.303 463 S CA -0.716 57.432 58.200 -0.086 0.000 1.000 463 S CB 1.119 64.279 63.200 -0.066 0.000 0.935 463 S HN 0.499 nan 8.310 nan 0.000 0.551 464 K N 0.801 121.014 120.400 -0.311 0.000 2.103 464 K HA -0.093 4.228 4.320 0.001 0.000 0.207 464 K C 2.234 178.644 176.600 -0.315 0.000 1.048 464 K CA 1.544 57.502 56.287 -0.548 0.000 0.930 464 K CB -1.473 30.008 32.500 -1.699 0.000 0.716 464 K HN 0.733 nan 8.250 nan 0.000 0.444 465 V N -0.503 119.300 119.914 -0.186 0.000 2.358 465 V HA -0.181 3.940 4.120 0.001 0.000 0.246 465 V C 2.226 178.366 176.094 0.077 0.000 1.047 465 V CA 2.114 64.449 62.300 0.058 0.000 1.035 465 V CB -0.572 31.308 31.823 0.096 0.000 0.658 465 V HN 0.297 nan 8.190 nan 0.000 0.452 466 E N 0.731 120.950 120.200 0.031 0.000 2.208 466 E HA -0.219 4.131 4.350 0.001 0.000 0.193 466 E C 2.316 178.944 176.600 0.047 0.000 0.988 466 E CA 0.931 57.353 56.400 0.037 0.000 0.828 466 E CB -0.108 29.601 29.700 0.015 0.000 0.763 466 E HN 0.615 nan 8.360 nan 0.000 0.478 467 R N 0.832 121.362 120.500 0.050 0.000 2.115 467 R HA -0.053 4.288 4.340 0.001 0.000 0.230 467 R C 2.006 178.352 176.300 0.076 0.000 1.111 467 R CA 1.557 57.688 56.100 0.052 0.000 0.976 467 R CB -0.713 29.617 30.300 0.050 0.000 0.870 467 R HN 0.189 nan 8.270 nan 0.000 0.445 468 A N 0.710 123.641 122.820 0.186 0.000 1.929 468 A HA -0.230 4.091 4.320 0.001 0.000 0.221 468 A C 1.265 178.890 177.584 0.068 0.000 1.211 468 A CA 2.176 54.334 52.037 0.203 0.000 0.657 468 A CB -0.457 18.738 19.000 0.325 0.000 0.827 468 A HN 0.619 nan 8.150 nan 0.000 0.462 469 N N -1.868 116.867 118.700 0.058 0.000 2.299 469 N HA 0.362 5.103 4.740 0.001 0.000 0.246 469 N C 1.135 176.657 175.510 0.020 0.000 1.254 469 N CA 0.645 53.711 53.050 0.028 0.000 0.879 469 N CB 0.616 39.122 38.487 0.032 0.000 1.214 469 N HN 0.427 nan 8.380 nan 0.000 0.510 470 A N 0.556 123.387 122.820 0.019 0.000 1.859 470 A HA -0.189 4.132 4.320 0.001 0.000 0.217 470 A C 2.300 179.895 177.584 0.018 0.000 1.198 470 A CA 1.493 53.540 52.037 0.016 0.000 0.629 470 A CB -0.819 18.189 19.000 0.013 0.000 0.830 470 A HN 0.448 nan 8.150 nan 0.000 0.446 471 C N -0.358 118.952 119.300 0.017 0.000 2.450 471 C HA -0.018 4.442 4.460 0.001 0.000 0.279 471 C C 2.582 177.596 174.990 0.040 0.000 1.335 471 C CA 0.709 59.749 59.018 0.037 0.000 1.749 471 C CB -1.559 26.193 27.740 0.020 0.000 1.963 471 C HN 0.615 nan 8.230 nan 0.000 0.501 472 N N 1.197 119.907 118.700 0.016 0.000 2.188 472 N HA -0.090 4.651 4.740 0.001 0.000 0.184 472 N C 1.832 177.350 175.510 0.014 0.000 1.018 472 N CA 1.237 54.293 53.050 0.010 0.000 0.858 472 N CB -0.194 38.292 38.487 -0.002 0.000 0.989 472 N HN 0.451 nan 8.380 nan 0.000 0.426 473 S N 0.677 116.385 115.700 0.012 0.000 2.383 473 S HA -0.043 4.427 4.470 0.001 0.000 0.227 473 S C 2.270 176.868 174.600 -0.005 0.000 1.026 473 S CA 0.490 58.693 58.200 0.005 0.000 0.981 473 S CB -0.167 63.036 63.200 0.006 0.000 0.818 473 S HN 0.080 nan 8.310 nan 0.000 0.472 474 V N 2.072 121.988 119.914 0.003 0.000 2.332 474 V HA -0.175 3.946 4.120 0.001 0.000 0.248 474 V C 2.011 178.068 176.094 -0.062 0.000 1.055 474 V CA 1.533 63.815 62.300 -0.030 0.000 1.038 474 V CB -0.586 31.247 31.823 0.016 0.000 0.651 474 V HN 0.466 nan 8.190 nan 0.000 0.450 475 I N -0.564 120.017 120.570 0.018 0.000 2.315 475 I HA -0.205 3.966 4.170 0.001 0.000 0.248 475 I C 2.567 178.675 176.117 -0.015 0.000 1.117 475 I CA 1.345 62.660 61.300 0.025 0.000 1.404 475 I CB -0.374 37.670 38.000 0.073 0.000 1.071 475 I HN 0.204 nan 8.210 nan 0.000 0.419 476 R N 0.348 120.842 120.500 -0.010 0.000 2.285 476 R HA -0.122 4.219 4.340 0.001 0.000 0.213 476 R C 1.963 178.252 176.300 -0.019 0.000 1.068 476 R CA 0.605 56.702 56.100 -0.005 0.000 1.004 476 R CB -0.086 30.215 30.300 0.001 0.000 0.873 476 R HN 0.425 nan 8.270 nan 0.000 0.467 477 Q N 0.133 119.905 119.800 -0.047 0.000 2.269 477 Q HA 0.029 4.370 4.340 0.001 0.000 0.201 477 Q C 2.001 177.956 176.000 -0.075 0.000 0.946 477 Q CA 0.907 56.673 55.803 -0.062 0.000 0.877 477 Q CB 0.287 28.975 28.738 -0.084 0.000 0.963 477 Q HN 0.395 nan 8.270 nan 0.000 0.472 478 L N -1.064 120.103 121.223 -0.092 0.000 2.202 478 L HA 0.117 4.458 4.340 0.001 0.000 0.205 478 L C 0.757 177.614 176.870 -0.022 0.000 1.083 478 L CA 0.491 55.279 54.840 -0.087 0.000 0.790 478 L CB 0.067 42.043 42.059 -0.139 0.000 0.942 478 L HN 0.103 nan 8.230 nan 0.000 0.452 479 M N 0.377 119.982 119.600 0.009 0.000 2.465 479 M HA 0.334 4.814 4.480 0.001 0.000 0.316 479 M C -0.763 175.562 176.300 0.042 0.000 1.121 479 M CA -0.277 55.054 55.300 0.052 0.000 0.934 479 M CB 2.152 34.838 32.600 0.143 0.000 1.692 479 M HN -0.106 nan 8.290 nan 0.000 0.444 480 K N 2.516 122.938 120.400 0.036 0.000 2.274 480 K HA 0.338 4.658 4.320 0.001 0.000 0.262 480 K C -0.704 175.918 176.600 0.038 0.000 0.961 480 K CA -0.475 55.832 56.287 0.034 0.000 0.833 480 K CB 1.672 34.190 32.500 0.029 0.000 1.102 480 K HN 0.655 nan 8.250 nan 0.000 0.436 481 K N 4.331 124.755 120.400 0.039 0.000 2.312 481 K HA 0.031 4.352 4.320 0.001 0.000 0.287 481 K C 0.343 176.967 176.600 0.041 0.000 1.062 481 K CA -0.193 56.110 56.287 0.027 0.000 0.934 481 K CB 0.849 33.368 32.500 0.032 0.000 1.027 481 K HN 0.612 nan 8.250 nan 0.000 0.478 482 E N 3.666 123.888 120.200 0.037 0.000 2.030 482 E HA 0.014 4.364 4.350 0.001 0.000 0.189 482 E C 0.288 177.010 176.600 0.204 0.000 0.974 482 E CA 0.955 57.432 56.400 0.129 0.000 0.807 482 E CB -0.030 29.798 29.700 0.213 0.000 0.771 482 E HN 0.575 nan 8.360 nan 0.000 0.451 483 F N -1.451 118.521 119.950 0.038 0.000 2.741 483 F HA 0.571 5.099 4.527 0.001 0.000 0.313 483 F C -0.632 175.177 175.800 0.014 0.000 1.153 483 F CA -1.266 56.735 58.000 0.001 0.000 0.931 483 F CB 1.534 40.497 39.000 -0.061 0.000 1.335 483 F HN -0.237 nan 8.300 nan 0.000 0.460 484 T N 0.936 115.603 114.554 0.189 0.000 2.893 484 T HA 0.649 4.999 4.350 0.001 0.000 0.291 484 T C -1.335 173.412 174.700 0.077 0.000 1.028 484 T CA -0.761 61.378 62.100 0.065 0.000 0.995 484 T CB 1.361 70.265 68.868 0.060 0.000 1.051 484 T HN 0.832 nan 8.240 nan 0.000 0.470 485 L N 5.110 126.297 121.223 -0.060 0.000 2.288 485 L HA 0.345 4.685 4.340 0.001 0.000 0.283 485 L C 1.147 178.035 176.870 0.029 0.000 1.072 485 L CA -0.925 53.719 54.840 -0.327 0.000 0.862 485 L CB 0.419 42.161 42.059 -0.528 0.000 1.245 485 L HN 0.767 nan 8.230 nan 0.000 0.432 486 E N 3.161 123.485 120.200 0.207 0.000 2.467 486 E HA -0.138 4.213 4.350 0.001 0.000 0.264 486 E C -0.414 176.412 176.600 0.377 0.000 1.020 486 E CA -0.344 56.233 56.400 0.295 0.000 0.945 486 E CB 0.843 30.719 29.700 0.292 0.000 0.942 486 E HN 0.312 nan 8.360 nan 0.000 0.449 487 F N 2.597 122.650 119.950 0.172 0.000 2.607 487 F HA 0.081 4.608 4.527 0.001 0.000 0.374 487 F C -0.011 175.877 175.800 0.146 0.000 1.104 487 F CA 0.343 58.434 58.000 0.152 0.000 1.296 487 F CB 0.534 39.598 39.000 0.106 0.000 1.085 487 F HN 0.487 nan 8.300 nan 0.000 0.584 488 S N 5.706 121.073 115.700 -0.556 0.000 2.542 488 S HA 0.506 4.977 4.470 0.001 0.000 0.293 488 S C 0.491 174.660 174.600 -0.719 0.000 1.089 488 S CA -1.079 56.882 58.200 -0.399 0.000 0.961 488 S CB 2.149 65.230 63.200 -0.199 0.000 1.062 488 S HN 0.812 nan 8.310 nan 0.000 0.483 489 R N 0.940 121.259 120.500 -0.301 0.000 2.120 489 R HA -0.090 4.251 4.340 0.001 0.000 0.234 489 R C 1.280 177.488 176.300 -0.154 0.000 1.123 489 R CA 1.995 58.000 56.100 -0.158 0.000 0.975 489 R CB -0.563 29.758 30.300 0.036 0.000 0.866 489 R HN 0.923 nan 8.270 nan 0.000 0.446 490 D N -0.258 120.049 120.400 -0.154 0.000 2.269 490 D HA -0.165 4.476 4.640 0.001 0.000 0.208 490 D C 1.938 178.166 176.300 -0.119 0.000 0.963 490 D CA 0.671 54.605 54.000 -0.111 0.000 0.864 490 D CB 0.003 40.742 40.800 -0.102 0.000 0.936 490 D HN 0.097 nan 8.370 nan 0.000 0.505 491 R N 0.661 121.051 120.500 -0.183 0.000 2.195 491 R HA 0.104 4.445 4.340 0.001 0.000 0.197 491 R C 0.120 176.331 176.300 -0.149 0.000 0.990 491 R CA 0.107 56.122 56.100 -0.141 0.000 1.048 491 R CB 0.179 30.409 30.300 -0.116 0.000 0.997 491 R HN -0.142 nan 8.270 nan 0.000 0.502 492 K N 1.089 121.291 120.400 -0.330 0.000 3.071 492 K HA -0.169 4.152 4.320 0.001 0.000 0.265 492 K C -0.975 175.668 176.600 0.072 0.000 1.060 492 K CA 0.876 57.072 56.287 -0.151 0.000 0.767 492 K CB -1.646 30.898 32.500 0.072 0.000 1.241 492 K HN 0.505 nan 8.250 nan 0.000 0.486 493 S N -0.938 114.738 115.700 -0.040 0.000 2.625 493 S HA 0.807 5.278 4.470 0.001 0.000 0.271 493 S C -0.771 173.954 174.600 0.207 0.000 1.161 493 S CA -1.085 57.214 58.200 0.164 0.000 0.820 493 S CB 3.002 66.265 63.200 0.105 0.000 1.137 493 S HN 0.306 nan 8.310 nan 0.000 0.470 494 M N 1.573 121.309 119.600 0.228 0.000 2.569 494 M HA 0.703 5.184 4.480 0.001 0.000 0.279 494 M C -1.824 174.557 176.300 0.135 0.000 1.253 494 M CA -0.249 55.179 55.300 0.213 0.000 0.867 494 M CB 2.016 34.774 32.600 0.263 0.000 1.727 494 M HN 1.335 nan 8.290 nan 0.000 0.467 495 S N 1.565 117.319 115.700 0.090 0.000 2.588 495 S HA 0.828 5.299 4.470 0.001 0.000 0.269 495 S C -1.246 173.351 174.600 -0.005 0.000 1.157 495 S CA -0.530 57.700 58.200 0.049 0.000 0.824 495 S CB 1.589 64.808 63.200 0.032 0.000 1.126 495 S HN 1.281 nan 8.310 nan 0.000 0.464 496 V N -0.766 119.128 119.914 -0.033 0.000 2.709 496 V HA 0.736 4.856 4.120 0.001 0.000 0.308 496 V C -1.377 174.562 176.094 -0.259 0.000 1.062 496 V CA -0.925 61.308 62.300 -0.111 0.000 0.901 496 V CB 1.264 33.084 31.823 -0.006 0.000 1.003 496 V HN 1.027 nan 8.190 nan 0.000 0.425 497 Y N 3.621 123.540 120.300 -0.634 0.000 2.383 497 Y HA 0.719 5.270 4.550 0.001 0.000 0.344 497 Y C 0.006 175.605 175.900 -0.503 0.000 0.986 497 Y CA -0.462 57.193 58.100 -0.741 0.000 1.175 497 Y CB 0.773 38.350 38.460 -1.472 0.000 1.152 497 Y HN 0.999 nan 8.280 nan 0.000 0.511 498 C N 3.598 122.583 119.300 -0.525 0.000 2.667 498 C HA 0.819 5.280 4.460 0.001 0.000 0.323 498 C C -0.510 174.327 174.990 -0.255 0.000 1.214 498 C CA -0.868 58.001 59.018 -0.250 0.000 1.721 498 C CB 1.257 28.924 27.740 -0.121 0.000 2.275 498 C HN 0.882 nan 8.230 nan 0.000 0.491 499 S N 1.378 117.036 115.700 -0.070 0.000 2.548 499 S HA 0.748 5.219 4.470 0.001 0.000 0.286 499 S C -3.138 171.453 174.600 -0.014 0.000 1.098 499 S CA -1.119 57.056 58.200 -0.041 0.000 0.930 499 S CB 1.665 64.887 63.200 0.037 0.000 1.070 499 S HN 0.622 nan 8.310 nan 0.000 0.480 500 P HA 0.215 nan 4.420 nan 0.000 0.269 500 P C -0.088 177.211 177.300 -0.002 0.000 1.215 500 P CA -0.045 63.053 63.100 -0.004 0.000 0.780 500 P CB 0.216 31.910 31.700 -0.009 0.000 0.898 501 A N 3.329 126.145 122.820 -0.007 0.000 2.483 501 A HA 0.032 4.353 4.320 0.001 0.000 0.238 501 A C 1.388 178.966 177.584 -0.010 0.000 1.070 501 A CA -0.071 51.960 52.037 -0.010 0.000 0.770 501 A CB -0.106 18.879 19.000 -0.025 0.000 1.008 501 A HN 0.414 nan 8.150 nan 0.000 0.497 502 K N 0.951 121.347 120.400 -0.007 0.000 2.589 502 K HA -0.082 4.238 4.320 0.001 0.000 0.195 502 K C 1.143 177.736 176.600 -0.011 0.000 1.040 502 K CA 1.472 57.755 56.287 -0.006 0.000 0.950 502 K CB -0.276 32.222 32.500 -0.003 0.000 0.781 502 K HN 0.812 nan 8.250 nan 0.000 0.486 503 S N -1.656 114.033 115.700 -0.017 0.000 2.728 503 S HA 0.032 4.503 4.470 0.001 0.000 0.257 503 S C 0.598 175.181 174.600 -0.028 0.000 1.060 503 S CA -0.557 57.630 58.200 -0.022 0.000 1.126 503 S CB 0.099 63.284 63.200 -0.024 0.000 1.099 503 S HN 0.167 nan 8.310 nan 0.000 0.617 504 S N 1.486 117.167 115.700 -0.031 0.000 2.579 504 S HA 0.465 4.936 4.470 0.001 0.000 0.275 504 S C 0.520 175.104 174.600 -0.026 0.000 1.345 504 S CA -0.492 57.686 58.200 -0.038 0.000 1.031 504 S CB 1.023 64.199 63.200 -0.040 0.000 0.892 504 S HN 0.153 nan 8.310 nan 0.000 0.529 505 R N 1.029 121.514 120.500 -0.026 0.000 2.334 505 R HA 0.421 4.762 4.340 0.001 0.000 0.220 505 R C 0.858 177.152 176.300 -0.010 0.000 0.917 505 R CA 0.288 56.378 56.100 -0.016 0.000 1.073 505 R CB -0.920 29.370 30.300 -0.016 0.000 1.056 505 R HN 0.837 nan 8.270 nan 0.000 0.506 506 A N 0.419 123.233 122.820 -0.010 0.000 2.448 506 A HA 0.515 4.836 4.320 0.001 0.000 0.239 506 A C 0.128 177.711 177.584 -0.003 0.000 1.080 506 A CA 0.029 52.066 52.037 -0.000 0.000 0.779 506 A CB 0.028 19.032 19.000 0.006 0.000 1.026 506 A HN 0.379 nan 8.150 nan 0.000 0.499 507 A N 1.365 124.184 122.820 -0.002 0.000 2.546 507 A HA 0.441 4.762 4.320 0.001 0.000 0.243 507 A C 0.514 178.090 177.584 -0.014 0.000 1.063 507 A CA -0.217 51.816 52.037 -0.008 0.000 0.757 507 A CB -0.523 18.471 19.000 -0.009 0.000 0.991 507 A HN 1.158 nan 8.150 nan 0.000 0.503 508 V N 1.853 121.758 119.914 -0.015 0.000 2.901 508 V HA 0.459 4.580 4.120 0.001 0.000 0.307 508 V C 1.070 177.147 176.094 -0.028 0.000 1.084 508 V CA 1.156 63.445 62.300 -0.018 0.000 1.184 508 V CB 0.256 32.072 31.823 -0.012 0.000 0.941 508 V HN 1.974 nan 8.190 nan 0.000 0.493 509 G N 3.275 112.054 108.800 -0.036 0.000 3.088 509 G HA2 -0.075 3.886 3.960 0.001 0.000 0.620 509 G HA3 -0.075 3.886 3.960 0.001 0.000 0.620 509 G C -0.904 173.931 174.900 -0.108 0.000 1.375 509 G CA -0.988 44.077 45.100 -0.058 0.000 1.016 509 G HN 0.660 nan 8.290 nan 0.000 0.590 510 N N 1.184 119.800 118.700 -0.140 0.000 2.453 510 N HA 0.495 5.235 4.740 0.001 0.000 0.253 510 N C 0.211 175.454 175.510 -0.445 0.000 1.252 510 N CA 0.172 53.042 53.050 -0.299 0.000 0.917 510 N CB 0.728 39.018 38.487 -0.328 0.000 1.117 510 N HN 0.508 nan 8.380 nan 0.000 0.442 511 K N 1.076 121.081 120.400 -0.658 0.000 2.477 511 K HA 0.453 4.773 4.320 0.001 0.000 0.255 511 K C -0.576 175.404 176.600 -1.033 0.000 0.952 511 K CA -0.434 55.396 56.287 -0.762 0.000 0.826 511 K CB 2.149 34.181 32.500 -0.780 0.000 1.331 511 K HN 0.478 nan 8.250 nan 0.000 0.437 512 M N 2.183 121.289 119.600 -0.822 0.000 2.181 512 M HA 0.415 4.896 4.480 0.001 0.000 0.323 512 M C -1.195 174.796 176.300 -0.515 0.000 1.004 512 M CA -0.736 54.190 55.300 -0.624 0.000 0.941 512 M CB 0.901 33.314 32.600 -0.312 0.000 1.579 512 M HN 0.310 nan 8.290 nan 0.000 0.427 513 F N 2.935 122.813 119.950 -0.120 0.000 2.427 513 F HA 0.580 5.108 4.527 0.001 0.000 0.346 513 F C -0.092 175.680 175.800 -0.046 0.000 1.120 513 F CA -0.976 56.977 58.000 -0.079 0.000 1.033 513 F CB 1.059 40.011 39.000 -0.081 0.000 1.126 513 F HN 0.129 nan 8.300 nan 0.000 0.462 514 V N 3.374 123.383 119.914 0.158 0.000 2.581 514 V HA 0.581 4.702 4.120 0.001 0.000 0.303 514 V C -0.437 175.710 176.094 0.088 0.000 1.041 514 V CA -1.158 61.206 62.300 0.106 0.000 0.907 514 V CB 2.008 33.887 31.823 0.093 0.000 0.994 514 V HN 0.703 nan 8.190 nan 0.000 0.442 515 K N 2.013 122.470 120.400 0.095 0.000 2.501 515 K HA 0.784 5.105 4.320 0.001 0.000 0.252 515 K C -0.476 176.200 176.600 0.127 0.000 0.934 515 K CA -0.068 56.270 56.287 0.084 0.000 0.797 515 K CB 2.271 34.811 32.500 0.067 0.000 1.270 515 K HN 1.055 nan 8.250 nan 0.000 0.431 516 G N 1.121 109.994 108.800 0.122 0.000 2.342 516 G HA2 0.463 4.424 3.960 0.001 0.000 0.297 516 G HA3 0.463 4.424 3.960 0.001 0.000 0.297 516 G C -1.555 173.429 174.900 0.141 0.000 1.313 516 G CA -0.453 44.746 45.100 0.165 0.000 0.830 516 G HN 0.680 nan 8.290 nan 0.000 0.506 517 A N 0.603 123.518 122.820 0.159 0.000 2.546 517 A HA 0.549 4.869 4.320 0.001 0.000 0.243 517 A C -0.619 177.025 177.584 0.099 0.000 1.063 517 A CA 0.246 52.358 52.037 0.126 0.000 0.757 517 A CB -0.066 19.012 19.000 0.129 0.000 0.991 517 A HN 0.376 nan 8.150 nan 0.000 0.503 518 P HA -0.245 nan 4.420 nan 0.000 0.216 518 P C 1.292 178.622 177.300 0.050 0.000 1.167 518 P CA 1.922 65.067 63.100 0.074 0.000 0.914 518 P CB 0.110 31.845 31.700 0.057 0.000 0.793 519 E N -0.974 119.248 120.200 0.037 0.000 2.048 519 E HA -0.195 4.156 4.350 0.001 0.000 0.202 519 E C 2.307 178.920 176.600 0.022 0.000 1.021 519 E CA 1.612 58.024 56.400 0.019 0.000 0.825 519 E CB -1.076 28.636 29.700 0.019 0.000 0.756 519 E HN 0.272 nan 8.360 nan 0.000 0.454 520 G N 0.574 109.395 108.800 0.035 0.000 2.418 520 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 520 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 520 G C 1.724 176.651 174.900 0.044 0.000 1.158 520 G CA 0.924 46.043 45.100 0.032 0.000 0.771 520 G HN 0.136 nan 8.290 nan 0.000 0.545 521 V N 1.024 120.978 119.914 0.068 0.000 2.307 521 V HA -0.099 4.022 4.120 0.001 0.000 0.245 521 V C 2.765 178.915 176.094 0.093 0.000 1.045 521 V CA 1.439 63.795 62.300 0.093 0.000 1.024 521 V CB -0.372 31.527 31.823 0.127 0.000 0.651 521 V HN 0.373 nan 8.190 nan 0.000 0.449 522 I N 0.145 120.756 120.570 0.069 0.000 2.286 522 I HA -0.221 3.949 4.170 0.001 0.000 0.248 522 I C 2.236 178.347 176.117 -0.010 0.000 1.115 522 I CA 1.450 62.756 61.300 0.011 0.000 1.392 522 I CB -0.471 37.476 38.000 -0.088 0.000 1.065 522 I HN 0.293 nan 8.210 nan 0.000 0.418 523 D N 0.939 121.336 120.400 -0.005 0.000 2.182 523 D HA -0.144 4.496 4.640 0.001 0.000 0.201 523 D C 1.903 178.201 176.300 -0.004 0.000 0.986 523 D CA 1.115 55.107 54.000 -0.013 0.000 0.847 523 D CB -0.126 40.669 40.800 -0.007 0.000 0.942 523 D HN 0.331 nan 8.370 nan 0.000 0.467 524 R N -0.600 119.911 120.500 0.019 0.000 2.356 524 R HA 0.188 4.529 4.340 0.001 0.000 0.234 524 R C -0.110 176.212 176.300 0.037 0.000 0.929 524 R CA -0.146 55.970 56.100 0.027 0.000 1.084 524 R CB 0.117 30.444 30.300 0.044 0.000 1.105 524 R HN 0.067 nan 8.270 nan 0.000 0.515 525 C N 1.426 120.745 119.300 0.032 0.000 2.307 525 C HA 0.280 4.740 4.460 0.001 0.000 0.340 525 C C 1.155 176.117 174.990 -0.047 0.000 1.275 525 C CA -0.758 58.289 59.018 0.048 0.000 1.811 525 C CB 0.678 28.485 27.740 0.112 0.000 2.372 525 C HN 0.459 nan 8.230 nan 0.000 0.531 526 N N 0.801 119.418 118.700 -0.138 0.000 2.282 526 N HA 0.152 4.893 4.740 0.001 0.000 0.185 526 N C -0.701 174.420 175.510 -0.649 0.000 1.099 526 N CA 0.546 53.336 53.050 -0.435 0.000 0.878 526 N CB 0.320 38.428 38.487 -0.633 0.000 0.993 526 N HN 0.701 nan 8.380 nan 0.000 0.481 527 Y N -1.076 119.258 120.300 0.056 0.000 2.605 527 Y HA 0.605 5.156 4.550 0.001 0.000 0.343 527 Y C -0.170 175.793 175.900 0.104 0.000 1.036 527 Y CA -1.063 57.075 58.100 0.063 0.000 1.065 527 Y CB 1.589 40.082 38.460 0.055 0.000 1.288 527 Y HN -0.430 nan 8.280 nan 0.000 0.481 528 V N 1.580 121.660 119.914 0.277 0.000 2.709 528 V HA 0.528 4.649 4.120 0.001 0.000 0.308 528 V C -0.698 175.518 176.094 0.203 0.000 1.062 528 V CA -1.096 61.359 62.300 0.259 0.000 0.901 528 V CB 2.008 33.947 31.823 0.193 0.000 1.003 528 V HN 0.688 nan 8.190 nan 0.000 0.425 529 R N 2.892 123.499 120.500 0.178 0.000 2.349 529 R HA 0.730 5.071 4.340 0.001 0.000 0.299 529 R C -1.467 174.895 176.300 0.102 0.000 1.027 529 R CA -0.212 55.951 56.100 0.106 0.000 0.958 529 R CB 1.527 31.860 30.300 0.055 0.000 1.047 529 R HN 0.510 nan 8.270 nan 0.000 0.468 530 V N 5.846 125.809 119.914 0.082 0.000 2.398 530 V HA 0.453 4.574 4.120 0.001 0.000 0.282 530 V C 0.844 176.982 176.094 0.073 0.000 1.014 530 V CA 0.210 62.558 62.300 0.081 0.000 0.838 530 V CB 0.584 32.450 31.823 0.071 0.000 1.018 530 V HN 1.149 nan 8.190 nan 0.000 0.432 531 G N 5.204 114.055 108.800 0.085 0.000 2.595 531 G HA2 -0.348 3.613 3.960 0.001 0.000 0.297 531 G HA3 -0.348 3.613 3.960 0.001 0.000 0.297 531 G C 0.936 175.869 174.900 0.054 0.000 1.181 531 G CA 1.181 46.330 45.100 0.082 0.000 0.963 531 G HN 1.346 nan 8.290 nan 0.000 0.541 532 T N -1.126 113.453 114.554 0.042 0.000 3.044 532 T HA 0.483 4.834 4.350 0.001 0.000 0.260 532 T C 1.172 175.886 174.700 0.022 0.000 1.019 532 T CA 1.455 63.572 62.100 0.029 0.000 0.921 532 T CB 0.035 68.918 68.868 0.024 0.000 1.053 532 T HN 1.671 nan 8.240 nan 0.000 0.533 533 T N 0.204 114.776 114.554 0.029 0.000 2.847 533 T HA 0.580 4.931 4.350 0.001 0.000 0.279 533 T C -0.289 174.428 174.700 0.028 0.000 0.984 533 T CA -0.987 61.127 62.100 0.023 0.000 0.988 533 T CB 1.821 70.708 68.868 0.031 0.000 1.040 533 T HN 0.394 nan 8.240 nan 0.000 0.528 534 R N 0.306 120.817 120.500 0.019 0.000 2.621 534 R HA 0.631 4.972 4.340 0.001 0.000 0.284 534 R C -1.441 174.904 176.300 0.075 0.000 0.998 534 R CA -0.799 55.322 56.100 0.035 0.000 0.895 534 R CB 2.083 32.351 30.300 -0.053 0.000 1.195 534 R HN 0.815 nan 8.270 nan 0.000 0.450 535 V N 0.560 120.558 119.914 0.140 0.000 3.102 535 V HA 0.744 4.865 4.120 0.001 0.000 0.312 535 V C -2.757 173.475 176.094 0.230 0.000 1.135 535 V CA -2.419 59.973 62.300 0.154 0.000 1.022 535 V CB 2.188 34.068 31.823 0.095 0.000 1.056 535 V HN 0.712 nan 8.190 nan 0.000 0.436 536 P HA 0.232 nan 4.420 nan 0.000 0.276 536 P C -0.600 176.708 177.300 0.014 0.000 1.230 536 P CA -0.237 62.914 63.100 0.084 0.000 0.776 536 P CB 0.936 32.661 31.700 0.042 0.000 0.888 537 M N 4.338 123.908 119.600 -0.051 0.000 2.266 537 M HA 0.144 4.625 4.480 0.001 0.000 0.340 537 M C 0.125 176.384 176.300 -0.068 0.000 1.486 537 M CA 0.353 55.620 55.300 -0.055 0.000 1.209 537 M CB -0.670 31.885 32.600 -0.075 0.000 1.714 537 M HN 0.388 nan 8.290 nan 0.000 0.459 538 T N 1.498 116.021 114.554 -0.052 0.000 2.912 538 T HA 0.645 4.996 4.350 0.001 0.000 0.280 538 T C 1.188 175.855 174.700 -0.055 0.000 0.989 538 T CA -0.450 61.622 62.100 -0.047 0.000 0.995 538 T CB 1.245 70.096 68.868 -0.028 0.000 1.077 538 T HN 0.686 nan 8.240 nan 0.000 0.531 539 G N 0.900 109.672 108.800 -0.046 0.000 2.446 539 G HA2 -0.064 3.896 3.960 0.001 0.000 0.217 539 G HA3 -0.064 3.896 3.960 0.001 0.000 0.217 539 G C -0.940 173.931 174.900 -0.048 0.000 1.168 539 G CA 0.655 45.727 45.100 -0.046 0.000 0.771 539 G HN 0.637 nan 8.290 nan 0.000 0.551 540 P HA -0.031 nan 4.420 nan 0.000 0.215 540 P C 2.209 179.475 177.300 -0.056 0.000 1.157 540 P CA 0.805 63.886 63.100 -0.031 0.000 0.863 540 P CB -0.144 31.552 31.700 -0.007 0.000 0.787 541 V N 0.631 120.504 119.914 -0.069 0.000 2.332 541 V HA -0.289 3.831 4.120 0.001 0.000 0.248 541 V C 2.509 178.519 176.094 -0.140 0.000 1.055 541 V CA 2.002 64.236 62.300 -0.110 0.000 1.038 541 V CB -1.061 30.701 31.823 -0.101 0.000 0.651 541 V HN 0.181 nan 8.190 nan 0.000 0.450 542 K N 0.524 120.847 120.400 -0.129 0.000 2.097 542 K HA -0.267 4.054 4.320 0.001 0.000 0.206 542 K C 2.135 178.652 176.600 -0.137 0.000 1.049 542 K CA 1.965 58.159 56.287 -0.155 0.000 0.933 542 K CB -0.065 32.362 32.500 -0.122 0.000 0.717 542 K HN 0.700 nan 8.250 nan 0.000 0.442 543 E N 0.742 120.882 120.200 -0.099 0.000 2.152 543 E HA -0.166 4.184 4.350 0.001 0.000 0.192 543 E C 1.915 178.460 176.600 -0.092 0.000 0.983 543 E CA 1.031 57.382 56.400 -0.081 0.000 0.818 543 E CB -0.119 29.548 29.700 -0.055 0.000 0.758 543 E HN 0.023 nan 8.360 nan 0.000 0.467 544 K N 0.741 121.078 120.400 -0.106 0.000 2.026 544 K HA -0.066 4.255 4.320 0.001 0.000 0.208 544 K C 1.920 178.419 176.600 -0.168 0.000 1.048 544 K CA 1.276 57.489 56.287 -0.123 0.000 0.929 544 K CB -0.284 32.135 32.500 -0.135 0.000 0.713 544 K HN 0.232 nan 8.250 nan 0.000 0.439 545 I N 1.646 122.100 120.570 -0.193 0.000 2.142 545 I HA -0.273 3.898 4.170 0.001 0.000 0.240 545 I C 2.484 178.518 176.117 -0.138 0.000 1.078 545 I CA 1.132 62.317 61.300 -0.192 0.000 1.343 545 I CB -1.257 36.550 38.000 -0.322 0.000 1.046 545 I HN 0.116 nan 8.210 nan 0.000 0.405 546 L N 0.117 121.257 121.223 -0.137 0.000 2.131 546 L HA -0.198 4.143 4.340 0.001 0.000 0.210 546 L C 2.748 179.574 176.870 -0.073 0.000 1.092 546 L CA 1.324 56.110 54.840 -0.090 0.000 0.759 546 L CB -0.572 41.440 42.059 -0.078 0.000 0.903 546 L HN 0.266 nan 8.230 nan 0.000 0.435 547 S N -0.398 115.250 115.700 -0.087 0.000 2.368 547 S HA -0.119 4.352 4.470 0.001 0.000 0.224 547 S C 1.956 176.503 174.600 -0.088 0.000 1.029 547 S CA 1.150 59.308 58.200 -0.070 0.000 0.988 547 S CB -0.063 63.097 63.200 -0.066 0.000 0.838 547 S HN 0.173 nan 8.310 nan 0.000 0.462 548 V N 2.005 121.821 119.914 -0.163 0.000 2.358 548 V HA -0.100 4.021 4.120 0.001 0.000 0.246 548 V C 2.309 178.215 176.094 -0.314 0.000 1.047 548 V CA 1.821 63.963 62.300 -0.263 0.000 1.035 548 V CB -0.639 30.897 31.823 -0.480 0.000 0.658 548 V HN 0.499 nan 8.190 nan 0.000 0.452 549 I N -0.063 120.375 120.570 -0.220 0.000 2.208 549 I HA -0.295 3.876 4.170 0.001 0.000 0.245 549 I C 2.586 178.715 176.117 0.020 0.000 1.097 549 I CA 1.865 63.090 61.300 -0.125 0.000 1.363 549 I CB -0.405 37.578 38.000 -0.028 0.000 1.051 549 I HN 0.271 nan 8.210 nan 0.000 0.413 550 K N 1.125 121.531 120.400 0.010 0.000 2.097 550 K HA -0.213 4.108 4.320 0.001 0.000 0.206 550 K C 1.927 178.583 176.600 0.094 0.000 1.049 550 K CA 1.567 57.884 56.287 0.050 0.000 0.933 550 K CB 0.012 32.525 32.500 0.021 0.000 0.717 550 K HN 0.365 nan 8.250 nan 0.000 0.442 551 E N -0.607 119.651 120.200 0.097 0.000 2.110 551 E HA -0.197 4.154 4.350 0.001 0.000 0.193 551 E C 1.707 178.489 176.600 0.305 0.000 0.988 551 E CA 1.065 57.564 56.400 0.164 0.000 0.804 551 E CB -0.139 29.656 29.700 0.160 0.000 0.745 551 E HN 0.433 nan 8.360 nan 0.000 0.458 552 W N 0.564 121.899 121.300 0.059 0.000 2.392 552 W HA 0.005 4.666 4.660 0.001 0.000 0.279 552 W C 2.181 178.730 176.519 0.049 0.000 1.225 552 W CA 1.134 58.518 57.345 0.065 0.000 1.233 552 W CB -0.693 28.829 29.460 0.105 0.000 1.122 552 W HN 0.059 nan 8.180 nan 0.000 0.561 553 G N -1.511 107.449 108.800 0.266 0.000 3.141 553 G HA2 0.076 4.037 3.960 0.001 0.000 0.218 553 G HA3 0.076 4.037 3.960 0.001 0.000 0.218 553 G C 0.959 175.923 174.900 0.107 0.000 1.170 553 G CA 1.202 46.399 45.100 0.163 0.000 0.769 553 G HN 0.256 nan 8.290 nan 0.000 0.546 554 T N -4.620 109.996 114.554 0.103 0.000 3.092 554 T HA 0.326 4.677 4.350 0.001 0.000 0.273 554 T C 1.453 176.183 174.700 0.050 0.000 0.898 554 T CA 0.796 62.934 62.100 0.064 0.000 0.868 554 T CB 0.383 69.284 68.868 0.054 0.000 1.228 554 T HN 0.199 nan 8.240 nan 0.000 0.555 555 G N 1.537 110.375 108.800 0.065 0.000 2.529 555 G HA2 0.296 4.257 3.960 0.001 0.000 0.234 555 G HA3 0.296 4.257 3.960 0.001 0.000 0.234 555 G C 0.690 175.601 174.900 0.017 0.000 1.527 555 G CA -0.668 44.457 45.100 0.041 0.000 1.062 555 G HN 0.350 nan 8.290 nan 0.000 0.558 556 R N -0.275 120.226 120.500 0.003 0.000 2.323 556 R HA 0.065 4.406 4.340 0.001 0.000 0.198 556 R C 1.342 177.628 176.300 -0.023 0.000 0.988 556 R CA 0.475 56.569 56.100 -0.010 0.000 1.041 556 R CB 0.151 30.441 30.300 -0.016 0.000 0.926 556 R HN 0.408 nan 8.270 nan 0.000 0.476 557 D N -0.222 120.166 120.400 -0.021 0.000 2.214 557 D HA -0.034 4.607 4.640 0.001 0.000 0.217 557 D C 0.374 176.665 176.300 -0.015 0.000 0.973 557 D CA 0.972 54.943 54.000 -0.049 0.000 0.880 557 D CB -0.121 40.627 40.800 -0.085 0.000 1.031 557 D HN -0.083 nan 8.370 nan 0.000 0.468 558 T N 1.245 115.813 114.554 0.025 0.000 3.549 558 T HA -0.193 4.158 4.350 0.001 0.000 0.398 558 T C 0.181 174.902 174.700 0.036 0.000 0.766 558 T CA 0.208 62.331 62.100 0.039 0.000 2.007 558 T CB -1.666 67.216 68.868 0.023 0.000 1.727 558 T HN 0.101 nan 8.240 nan 0.000 0.693 559 L N 0.302 121.560 121.223 0.059 0.000 2.375 559 L HA 0.537 4.878 4.340 0.001 0.000 0.268 559 L C 1.124 178.050 176.870 0.094 0.000 1.058 559 L CA -1.068 53.806 54.840 0.056 0.000 0.803 559 L CB 0.913 42.998 42.059 0.044 0.000 1.212 559 L HN 0.141 nan 8.230 nan 0.000 0.451 560 R N 0.647 121.192 120.500 0.076 0.000 2.267 560 R HA 0.370 4.710 4.340 0.001 0.000 0.319 560 R C -1.202 175.164 176.300 0.111 0.000 1.067 560 R CA -0.434 55.716 56.100 0.083 0.000 0.936 560 R CB 0.657 30.992 30.300 0.059 0.000 1.006 560 R HN 0.578 nan 8.270 nan 0.000 0.452 561 C N 4.076 123.454 119.300 0.129 0.000 2.411 561 C HA 0.562 5.023 4.460 0.001 0.000 0.330 561 C C -0.626 174.424 174.990 0.100 0.000 1.224 561 C CA -0.877 58.229 59.018 0.147 0.000 1.770 561 C CB 0.865 28.720 27.740 0.191 0.000 2.297 561 C HN 0.541 nan 8.230 nan 0.000 0.507 562 L N 2.582 123.851 121.223 0.077 0.000 2.365 562 L HA 0.742 5.083 4.340 0.001 0.000 0.273 562 L C 0.255 177.142 176.870 0.028 0.000 1.000 562 L CA -0.264 54.610 54.840 0.057 0.000 0.819 562 L CB 1.508 43.592 42.059 0.041 0.000 1.284 562 L HN 0.870 nan 8.230 nan 0.000 0.418 563 A N 4.984 127.838 122.820 0.056 0.000 2.301 563 A HA 0.804 5.125 4.320 0.001 0.000 0.312 563 A C -0.899 176.688 177.584 0.005 0.000 1.182 563 A CA -0.427 51.655 52.037 0.074 0.000 0.826 563 A CB 0.355 19.474 19.000 0.197 0.000 1.134 563 A HN 0.642 nan 8.150 nan 0.000 0.501 564 L N 1.616 122.757 121.223 -0.138 0.000 2.329 564 L HA 0.832 5.173 4.340 0.001 0.000 0.279 564 L C 0.288 177.042 176.870 -0.193 0.000 1.014 564 L CA -0.387 54.363 54.840 -0.150 0.000 0.814 564 L CB 1.832 43.769 42.059 -0.203 0.000 1.257 564 L HN 0.859 nan 8.230 nan 0.000 0.424 565 A N 1.238 124.028 122.820 -0.050 0.000 2.609 565 A HA 0.839 5.160 4.320 0.001 0.000 0.291 565 A C -0.786 176.851 177.584 0.088 0.000 1.096 565 A CA -0.412 51.625 52.037 0.001 0.000 0.684 565 A CB 2.228 21.278 19.000 0.084 0.000 1.282 565 A HN 0.631 nan 8.150 nan 0.000 0.412 566 T N -0.825 113.790 114.554 0.101 0.000 2.909 566 T HA 0.662 5.013 4.350 0.001 0.000 0.299 566 T C -0.782 173.940 174.700 0.037 0.000 1.073 566 T CA -0.640 61.526 62.100 0.111 0.000 0.999 566 T CB 1.601 70.602 68.868 0.221 0.000 1.098 566 T HN 0.788 nan 8.240 nan 0.000 0.477 567 R N 2.237 122.710 120.500 -0.044 0.000 2.198 567 R HA 0.232 4.573 4.340 0.001 0.000 0.339 567 R C -0.004 176.237 176.300 -0.099 0.000 1.020 567 R CA -0.512 55.569 56.100 -0.031 0.000 0.864 567 R CB 0.501 30.781 30.300 -0.034 0.000 1.105 567 R HN 0.714 nan 8.270 nan 0.000 0.463 568 D N 1.621 121.986 120.400 -0.058 0.000 2.178 568 D HA -0.073 4.567 4.640 0.001 0.000 0.201 568 D C -0.095 176.142 176.300 -0.104 0.000 0.980 568 D CA 1.518 55.463 54.000 -0.092 0.000 0.842 568 D CB 0.449 41.188 40.800 -0.102 0.000 0.948 568 D HN 0.440 nan 8.370 nan 0.000 0.472 569 T N 2.662 117.172 114.554 -0.072 0.000 3.317 569 T HA 0.235 4.586 4.350 0.001 0.000 0.361 569 T C -2.481 172.199 174.700 -0.034 0.000 1.499 569 T CA -1.238 60.829 62.100 -0.056 0.000 1.529 569 T CB 2.270 71.122 68.868 -0.026 0.000 0.997 569 T HN -0.006 nan 8.240 nan 0.000 0.624 570 P HA 0.297 nan 4.420 nan 0.000 0.270 570 P C -2.636 174.697 177.300 0.055 0.000 1.223 570 P CA -1.119 61.965 63.100 -0.028 0.000 0.785 570 P CB -0.017 31.586 31.700 -0.161 0.000 0.923 571 P HA 0.165 nan 4.420 nan 0.000 0.274 571 P C -0.565 176.790 177.300 0.092 0.000 1.260 571 P CA -0.071 63.072 63.100 0.072 0.000 0.793 571 P CB 0.195 31.917 31.700 0.037 0.000 1.048 572 K N 0.647 121.072 120.400 0.042 0.000 2.379 572 K HA 0.123 4.444 4.320 0.001 0.000 0.284 572 K C 1.329 177.905 176.600 -0.040 0.000 1.044 572 K CA 0.069 56.373 56.287 0.028 0.000 0.974 572 K CB 0.055 32.559 32.500 0.007 0.000 0.962 572 K HN 0.269 nan 8.250 nan 0.000 0.474 573 R N 2.172 122.625 120.500 -0.078 0.000 2.139 573 R HA -0.249 4.092 4.340 0.001 0.000 0.243 573 R C 0.549 176.719 176.300 -0.218 0.000 1.145 573 R CA 1.856 57.810 56.100 -0.244 0.000 0.976 573 R CB 0.125 30.235 30.300 -0.317 0.000 0.866 573 R HN 0.633 nan 8.270 nan 0.000 0.449 574 E N 0.383 120.505 120.200 -0.130 0.000 2.204 574 E HA -0.114 4.236 4.350 0.001 0.000 0.194 574 E C 0.986 177.530 176.600 -0.093 0.000 0.989 574 E CA 0.869 57.206 56.400 -0.106 0.000 0.824 574 E CB 0.088 29.751 29.700 -0.062 0.000 0.756 574 E HN 0.268 nan 8.360 nan 0.000 0.477 575 E N -0.154 119.994 120.200 -0.085 0.000 2.335 575 E HA 0.180 4.531 4.350 0.001 0.000 0.191 575 E C -0.378 176.166 176.600 -0.093 0.000 1.077 575 E CA 0.052 56.421 56.400 -0.052 0.000 1.010 575 E CB -0.037 29.657 29.700 -0.010 0.000 1.141 575 E HN 0.295 nan 8.360 nan 0.000 0.452 576 M N 0.406 119.885 119.600 -0.201 0.000 2.253 576 M HA 0.282 4.763 4.480 0.001 0.000 0.314 576 M C -0.581 175.646 176.300 -0.123 0.000 1.019 576 M CA -0.783 54.305 55.300 -0.354 0.000 0.932 576 M CB 2.710 34.916 32.600 -0.655 0.000 1.606 576 M HN -0.346 nan 8.290 nan 0.000 0.430 577 V N 5.425 125.438 119.914 0.165 0.000 2.334 577 V HA 0.184 4.305 4.120 0.001 0.000 0.267 577 V C 0.787 177.052 176.094 0.284 0.000 1.040 577 V CA -0.242 62.158 62.300 0.167 0.000 0.866 577 V CB 0.560 32.494 31.823 0.185 0.000 1.019 577 V HN 0.830 nan 8.190 nan 0.000 0.468 578 L N 3.065 124.357 121.223 0.115 0.000 2.627 578 L HA 0.104 4.445 4.340 0.001 0.000 0.233 578 L C 1.352 178.378 176.870 0.260 0.000 1.144 578 L CA 0.341 55.304 54.840 0.205 0.000 0.892 578 L CB -0.486 41.518 42.059 -0.093 0.000 1.039 578 L HN 0.756 nan 8.230 nan 0.000 0.442 579 D N -2.705 117.794 120.400 0.165 0.000 2.379 579 D HA -0.041 4.599 4.640 0.001 0.000 0.208 579 D C 0.493 176.816 176.300 0.038 0.000 1.065 579 D CA -0.061 53.996 54.000 0.095 0.000 0.848 579 D CB 0.272 41.098 40.800 0.044 0.000 0.949 579 D HN -0.035 nan 8.370 nan 0.000 0.509 580 D N 0.461 120.868 120.400 0.012 0.000 2.446 580 D HA 0.073 4.714 4.640 0.001 0.000 0.251 580 D C 0.904 176.890 176.300 -0.524 0.000 1.137 580 D CA -0.262 53.645 54.000 -0.155 0.000 0.890 580 D CB 1.432 42.179 40.800 -0.089 0.000 1.071 580 D HN 0.030 nan 8.370 nan 0.000 0.528 581 S N 1.294 116.513 115.700 -0.801 0.000 2.500 581 S HA -0.185 4.285 4.470 0.001 0.000 0.239 581 S C 1.712 175.747 174.600 -0.941 0.000 0.989 581 S CA 1.082 58.322 58.200 -1.600 0.000 0.951 581 S CB -0.271 62.455 63.200 -0.790 0.000 0.759 581 S HN 0.351 nan 8.310 nan 0.000 0.523 582 S N 1.444 116.838 115.700 -0.510 0.000 2.555 582 S HA 0.094 4.565 4.470 0.001 0.000 0.230 582 S C 1.624 176.055 174.600 -0.283 0.000 0.978 582 S CA -0.032 57.983 58.200 -0.308 0.000 0.934 582 S CB -0.327 62.753 63.200 -0.200 0.000 0.766 582 S HN 0.675 nan 8.310 nan 0.000 0.533 583 R N -0.460 119.828 120.500 -0.353 0.000 2.282 583 R HA 0.370 4.711 4.340 0.001 0.000 0.195 583 R C 1.469 177.516 176.300 -0.421 0.000 0.909 583 R CA 0.241 56.121 56.100 -0.367 0.000 1.039 583 R CB -0.314 29.781 30.300 -0.341 0.000 1.015 583 R HN 0.459 nan 8.270 nan 0.000 0.513 584 F N 1.312 121.082 119.950 -0.301 0.000 2.154 584 F HA -0.303 4.225 4.527 0.001 0.000 0.301 584 F C 2.589 178.321 175.800 -0.114 0.000 1.087 584 F CA 0.765 58.689 58.000 -0.126 0.000 1.274 584 F CB -0.237 38.784 39.000 0.037 0.000 1.009 584 F HN 0.058 nan 8.300 nan 0.000 0.485 585 M N 0.638 120.264 119.600 0.043 0.000 2.108 585 M HA -0.253 4.228 4.480 0.001 0.000 0.261 585 M C 2.127 178.428 176.300 0.002 0.000 1.066 585 M CA 1.877 57.187 55.300 0.018 0.000 1.107 585 M CB -0.134 32.449 32.600 -0.029 0.000 1.356 585 M HN -0.025 nan 8.290 nan 0.000 0.406 586 E N -0.216 119.932 120.200 -0.087 0.000 2.106 586 E HA -0.188 4.163 4.350 0.001 0.000 0.192 586 E C 1.498 178.143 176.600 0.076 0.000 0.984 586 E CA 1.802 58.170 56.400 -0.054 0.000 0.806 586 E CB -0.455 29.165 29.700 -0.133 0.000 0.750 586 E HN 0.647 nan 8.360 nan 0.000 0.458 587 Y N 0.881 121.255 120.300 0.123 0.000 2.352 587 Y HA 0.041 4.592 4.550 0.001 0.000 0.292 587 Y C 0.826 176.778 175.900 0.087 0.000 1.136 587 Y CA 0.902 59.071 58.100 0.114 0.000 1.227 587 Y CB -0.328 38.215 38.460 0.138 0.000 0.991 587 Y HN 0.118 nan 8.280 nan 0.000 0.545 588 E N 0.292 120.622 120.200 0.217 0.000 2.341 588 E HA 0.195 4.545 4.350 0.001 0.000 0.279 588 E C -0.249 176.416 176.600 0.108 0.000 1.395 588 E CA -0.041 56.444 56.400 0.142 0.000 1.648 588 E CB 0.123 29.898 29.700 0.125 0.000 1.524 588 E HN 0.034 nan 8.360 nan 0.000 0.462 589 T N -0.006 114.615 114.554 0.111 0.000 2.907 589 T HA 0.119 4.470 4.350 0.001 0.000 0.290 589 T C -0.321 174.436 174.700 0.096 0.000 1.066 589 T CA -0.601 61.551 62.100 0.087 0.000 1.012 589 T CB 1.223 70.136 68.868 0.076 0.000 1.184 589 T HN 0.323 nan 8.240 nan 0.000 0.522 590 D N 0.826 121.274 120.400 0.081 0.000 2.708 590 D HA -0.140 4.500 4.640 0.001 0.000 0.236 590 D C -0.303 176.106 176.300 0.181 0.000 1.146 590 D CA 0.521 54.589 54.000 0.114 0.000 0.662 590 D CB -1.344 39.542 40.800 0.143 0.000 1.059 590 D HN 0.340 nan 8.370 nan 0.000 0.428 591 L N -0.785 120.524 121.223 0.144 0.000 2.468 591 L HA 0.483 4.824 4.340 0.001 0.000 0.254 591 L C 1.076 178.087 176.870 0.235 0.000 1.171 591 L CA -0.343 54.594 54.840 0.161 0.000 0.809 591 L CB 0.965 43.101 42.059 0.127 0.000 1.155 591 L HN -0.033 nan 8.230 nan 0.000 0.473 592 T N 0.928 115.606 114.554 0.208 0.000 2.815 592 T HA 0.303 4.654 4.350 0.001 0.000 0.289 592 T C -0.605 174.215 174.700 0.200 0.000 1.000 592 T CA -0.317 61.925 62.100 0.237 0.000 0.958 592 T CB 0.605 69.570 68.868 0.161 0.000 0.944 592 T HN 0.259 nan 8.240 nan 0.000 0.442 593 F N 4.241 124.242 119.950 0.085 0.000 2.495 593 F HA 0.333 4.860 4.527 0.001 0.000 0.365 593 F C 0.707 176.534 175.800 0.045 0.000 1.090 593 F CA 0.150 58.180 58.000 0.050 0.000 1.235 593 F CB 0.610 39.632 39.000 0.036 0.000 1.119 593 F HN 0.341 nan 8.300 nan 0.000 0.562 594 V N 4.509 123.944 119.914 -0.798 0.000 2.911 594 V HA 0.492 4.613 4.120 0.001 0.000 0.237 594 V C 0.968 176.552 176.094 -0.849 0.000 1.156 594 V CA 0.671 62.618 62.300 -0.588 0.000 1.180 594 V CB 0.068 31.706 31.823 -0.308 0.000 0.932 594 V HN 1.049 nan 8.190 nan 0.000 0.483 595 G N -0.847 107.214 108.800 -1.231 0.000 2.430 595 G HA2 0.521 4.482 3.960 0.001 0.000 0.300 595 G HA3 0.521 4.482 3.960 0.001 0.000 0.300 595 G C -2.222 172.266 174.900 -0.687 0.000 1.330 595 G CA -0.164 44.429 45.100 -0.846 0.000 0.813 595 G HN -0.018 nan 8.290 nan 0.000 0.487 596 V N -0.215 119.295 119.914 -0.673 0.000 2.876 596 V HA 0.781 4.902 4.120 0.001 0.000 0.312 596 V C -0.128 175.843 176.094 -0.205 0.000 1.085 596 V CA -0.616 61.397 62.300 -0.477 0.000 0.945 596 V CB 1.799 33.152 31.823 -0.784 0.000 1.017 596 V HN 1.426 nan 8.190 nan 0.000 0.428 597 V N 0.531 120.429 119.914 -0.027 0.000 2.680 597 V HA 1.061 5.182 4.120 0.001 0.000 0.309 597 V C 0.052 176.248 176.094 0.170 0.000 1.052 597 V CA -0.453 61.896 62.300 0.081 0.000 0.908 597 V CB 1.702 33.534 31.823 0.015 0.000 1.001 597 V HN 1.057 nan 8.190 nan 0.000 0.431 598 G N 4.964 113.880 108.800 0.194 0.000 2.609 598 G HA2 0.712 4.672 3.960 0.001 0.000 0.308 598 G HA3 0.712 4.672 3.960 0.001 0.000 0.308 598 G C -0.787 174.139 174.900 0.044 0.000 1.369 598 G CA -0.863 44.337 45.100 0.166 0.000 0.958 598 G HN 1.206 nan 8.290 nan 0.000 0.499 599 M N 1.886 121.511 119.600 0.041 0.000 2.690 599 M HA 0.921 5.402 4.480 0.001 0.000 0.302 599 M C -1.075 175.227 176.300 0.003 0.000 1.234 599 M CA -1.097 54.210 55.300 0.012 0.000 0.853 599 M CB 2.639 35.255 32.600 0.026 0.000 1.748 599 M HN 0.590 nan 8.290 nan 0.000 0.469 600 L N -0.629 120.585 121.223 -0.015 0.000 2.671 600 L HA 0.678 5.019 4.340 0.001 0.000 0.259 600 L C -1.870 174.979 176.870 -0.035 0.000 1.021 600 L CA -0.832 53.996 54.840 -0.021 0.000 0.871 600 L CB 2.305 44.343 42.059 -0.035 0.000 1.472 600 L HN 0.803 nan 8.230 nan 0.000 0.410 601 D N 3.483 123.863 120.400 -0.035 0.000 2.422 601 D HA 0.394 5.035 4.640 0.001 0.000 0.227 601 D C -2.362 173.902 176.300 -0.060 0.000 1.190 601 D CA -1.719 52.250 54.000 -0.052 0.000 0.905 601 D CB 0.958 41.738 40.800 -0.034 0.000 1.034 601 D HN 0.435 nan 8.370 nan 0.000 0.507 602 P HA 0.257 nan 4.420 nan 0.000 0.278 602 P C -2.695 174.561 177.300 -0.073 0.000 1.238 602 P CA -1.514 61.542 63.100 -0.073 0.000 0.794 602 P CB 0.773 32.427 31.700 -0.077 0.000 0.955 603 P HA 0.161 nan 4.420 nan 0.000 0.272 603 P C -0.011 177.246 177.300 -0.071 0.000 1.223 603 P CA -0.051 63.001 63.100 -0.081 0.000 0.784 603 P CB 0.781 32.425 31.700 -0.094 0.000 0.923 604 R N 1.460 121.920 120.500 -0.066 0.000 2.694 604 R HA 0.082 4.423 4.340 0.001 0.000 0.268 604 R C 1.825 178.099 176.300 -0.043 0.000 1.061 604 R CA -0.202 55.872 56.100 -0.042 0.000 1.133 604 R CB 0.310 30.600 30.300 -0.016 0.000 1.020 604 R HN 0.459 nan 8.270 nan 0.000 0.475 605 K N 1.829 122.214 120.400 -0.026 0.000 2.032 605 K HA -0.204 4.116 4.320 0.001 0.000 0.209 605 K C 1.797 178.386 176.600 -0.018 0.000 1.048 605 K CA 1.762 58.036 56.287 -0.022 0.000 0.927 605 K CB 0.038 32.532 32.500 -0.011 0.000 0.712 605 K HN 0.634 nan 8.250 nan 0.000 0.441 606 E N 1.624 121.825 120.200 0.000 0.000 2.347 606 E HA -0.097 4.254 4.350 0.001 0.000 0.196 606 E C 1.927 178.526 176.600 -0.000 0.000 1.008 606 E CA 0.713 57.123 56.400 0.016 0.000 0.852 606 E CB -0.658 29.072 29.700 0.049 0.000 0.783 606 E HN 0.032 nan 8.360 nan 0.000 0.505 607 V N 2.223 122.106 119.914 -0.052 0.000 2.233 607 V HA -0.357 3.764 4.120 0.001 0.000 0.252 607 V C 2.805 178.801 176.094 -0.163 0.000 1.063 607 V CA 2.667 64.861 62.300 -0.176 0.000 1.032 607 V CB -0.754 30.912 31.823 -0.263 0.000 0.645 607 V HN 0.308 nan 8.190 nan 0.000 0.446 608 M N 0.098 119.630 119.600 -0.114 0.000 2.080 608 M HA -0.161 4.320 4.480 0.001 0.000 0.260 608 M C 2.108 178.376 176.300 -0.053 0.000 1.068 608 M CA 2.475 57.721 55.300 -0.090 0.000 1.109 608 M CB -0.714 31.845 32.600 -0.067 0.000 1.342 608 M HN 0.472 nan 8.290 nan 0.000 0.405 609 G N -0.873 107.911 108.800 -0.027 0.000 2.440 609 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 609 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 609 G C 1.411 176.323 174.900 0.020 0.000 1.154 609 G CA 1.158 46.257 45.100 -0.002 0.000 0.767 609 G HN 0.538 nan 8.290 nan 0.000 0.552 610 S N 0.563 116.291 115.700 0.046 0.000 2.382 610 S HA -0.069 4.401 4.470 0.001 0.000 0.228 610 S C 2.255 176.922 174.600 0.112 0.000 1.027 610 S CA 0.781 59.056 58.200 0.125 0.000 0.991 610 S CB -0.127 63.250 63.200 0.295 0.000 0.823 610 S HN 0.263 nan 8.310 nan 0.000 0.469 611 I N 1.601 122.182 120.570 0.019 0.000 2.286 611 I HA -0.130 4.041 4.170 0.001 0.000 0.248 611 I C 2.604 178.726 176.117 0.009 0.000 1.115 611 I CA 1.282 62.579 61.300 -0.005 0.000 1.392 611 I CB -1.364 36.580 38.000 -0.094 0.000 1.065 611 I HN 0.294 nan 8.210 nan 0.000 0.418 612 Q N 1.372 121.173 119.800 0.002 0.000 2.050 612 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 612 Q C 2.270 178.279 176.000 0.016 0.000 0.980 612 Q CA 1.624 57.429 55.803 0.004 0.000 0.840 612 Q CB -0.436 28.302 28.738 -0.000 0.000 0.898 612 Q HN 0.486 nan 8.270 nan 0.000 0.424 613 L N -0.782 120.458 121.223 0.028 0.000 2.042 613 L HA -0.257 4.084 4.340 0.001 0.000 0.210 613 L C 2.533 179.422 176.870 0.032 0.000 1.076 613 L CA 1.146 56.004 54.840 0.030 0.000 0.749 613 L CB -0.627 41.454 42.059 0.037 0.000 0.893 613 L HN 0.355 nan 8.230 nan 0.000 0.432 614 C N -0.663 118.665 119.300 0.047 0.000 2.429 614 C HA -0.170 4.291 4.460 0.001 0.000 0.277 614 C C 3.008 178.013 174.990 0.026 0.000 1.262 614 C CA 0.760 59.805 59.018 0.045 0.000 1.733 614 C CB -0.962 26.824 27.740 0.078 0.000 2.010 614 C HN 0.474 nan 8.230 nan 0.000 0.483 615 R N 0.989 121.501 120.500 0.020 0.000 2.081 615 R HA -0.140 4.201 4.340 0.001 0.000 0.235 615 R C 1.608 177.914 176.300 0.009 0.000 1.131 615 R CA 1.889 57.995 56.100 0.010 0.000 0.960 615 R CB -0.357 29.945 30.300 0.004 0.000 0.856 615 R HN 0.494 nan 8.270 nan 0.000 0.436 616 D N 0.143 120.550 120.400 0.010 0.000 2.178 616 D HA -0.122 4.519 4.640 0.001 0.000 0.201 616 D C 1.173 177.478 176.300 0.009 0.000 0.980 616 D CA 1.406 55.411 54.000 0.009 0.000 0.842 616 D CB -0.044 40.762 40.800 0.010 0.000 0.948 616 D HN 0.377 nan 8.370 nan 0.000 0.472 617 A N -0.227 122.599 122.820 0.011 0.000 2.302 617 A HA 0.447 4.768 4.320 0.001 0.000 0.219 617 A C 1.595 179.182 177.584 0.006 0.000 1.243 617 A CA 0.705 52.747 52.037 0.009 0.000 0.856 617 A CB -0.342 18.664 19.000 0.009 0.000 0.893 617 A HN 0.195 nan 8.150 nan 0.000 0.491 618 G N -0.451 108.353 108.800 0.006 0.000 2.198 618 G HA2 -0.236 3.725 3.960 0.001 0.000 0.260 618 G HA3 -0.236 3.725 3.960 0.001 0.000 0.260 618 G C -0.022 174.879 174.900 0.003 0.000 1.025 618 G CA 0.513 45.615 45.100 0.003 0.000 0.769 618 G HN 0.535 nan 8.290 nan 0.000 0.507 619 I N 0.176 120.750 120.570 0.007 0.000 2.354 619 I HA 0.418 4.589 4.170 0.001 0.000 0.292 619 I C 0.903 177.027 176.117 0.013 0.000 0.989 619 I CA -0.894 60.411 61.300 0.009 0.000 1.188 619 I CB 1.375 39.383 38.000 0.013 0.000 1.342 619 I HN 0.004 nan 8.210 nan 0.000 0.457 620 R N 4.323 124.827 120.500 0.008 0.000 2.500 620 R HA 0.660 5.001 4.340 0.001 0.000 0.275 620 R C -1.166 175.143 176.300 0.015 0.000 1.051 620 R CA -0.562 55.541 56.100 0.005 0.000 1.088 620 R CB 1.798 32.097 30.300 -0.002 0.000 1.063 620 R HN 0.377 nan 8.270 nan 0.000 0.511 621 V N 5.335 125.248 119.914 -0.001 0.000 2.444 621 V HA 0.431 4.552 4.120 0.001 0.000 0.294 621 V C -0.097 175.976 176.094 -0.035 0.000 1.022 621 V CA -0.615 61.688 62.300 0.004 0.000 0.850 621 V CB 1.717 33.537 31.823 -0.005 0.000 0.992 621 V HN 0.608 nan 8.190 nan 0.000 0.426 622 I N 5.064 125.636 120.570 0.002 0.000 2.406 622 I HA 0.465 4.636 4.170 0.001 0.000 0.290 622 I C -0.080 176.046 176.117 0.016 0.000 0.999 622 I CA -0.427 60.880 61.300 0.012 0.000 1.124 622 I CB 1.874 39.935 38.000 0.103 0.000 1.289 622 I HN 0.576 nan 8.210 nan 0.000 0.441 623 M N 7.698 127.277 119.600 -0.035 0.000 2.146 623 M HA 0.503 4.984 4.480 0.001 0.000 0.357 623 M C -1.365 174.981 176.300 0.076 0.000 1.261 623 M CA -0.019 55.268 55.300 -0.022 0.000 1.106 623 M CB 0.606 33.144 32.600 -0.103 0.000 1.612 623 M HN 0.495 nan 8.290 nan 0.000 0.470 624 I N 4.546 125.160 120.570 0.074 0.000 2.448 624 I HA 0.323 4.494 4.170 0.001 0.000 0.281 624 I C -0.449 175.699 176.117 0.050 0.000 1.027 624 I CA -0.407 60.952 61.300 0.098 0.000 1.111 624 I CB 1.944 39.970 38.000 0.042 0.000 1.236 624 I HN 0.624 nan 8.210 nan 0.000 0.452 625 T N 2.749 117.335 114.554 0.053 0.000 2.900 625 T HA 0.479 4.830 4.350 0.001 0.000 0.295 625 T C 0.925 175.641 174.700 0.027 0.000 1.044 625 T CA -0.292 61.825 62.100 0.028 0.000 0.995 625 T CB 1.812 70.689 68.868 0.013 0.000 1.072 625 T HN 0.689 nan 8.240 nan 0.000 0.473 626 G N 1.937 110.747 108.800 0.016 0.000 2.813 626 G HA2 0.091 4.052 3.960 0.001 0.000 0.209 626 G HA3 0.091 4.052 3.960 0.001 0.000 0.209 626 G C 0.529 175.438 174.900 0.014 0.000 1.150 626 G CA 0.003 45.111 45.100 0.014 0.000 0.785 626 G HN 0.688 nan 8.290 nan 0.000 0.535 627 D N 0.434 120.842 120.400 0.013 0.000 2.384 627 D HA 0.063 4.704 4.640 0.001 0.000 0.244 627 D C 0.344 176.655 176.300 0.018 0.000 1.251 627 D CA -0.473 53.536 54.000 0.014 0.000 0.961 627 D CB 0.452 41.257 40.800 0.008 0.000 1.116 627 D HN -0.074 nan 8.370 nan 0.000 0.484 628 N N 1.014 119.726 118.700 0.020 0.000 2.444 628 N HA -0.030 4.711 4.740 0.001 0.000 0.255 628 N C 0.881 176.402 175.510 0.019 0.000 1.255 628 N CA -0.160 52.904 53.050 0.023 0.000 0.933 628 N CB 0.796 39.299 38.487 0.027 0.000 1.143 628 N HN 0.414 nan 8.380 nan 0.000 0.453 629 K N 1.252 121.664 120.400 0.019 0.000 2.032 629 K HA -0.140 4.181 4.320 0.001 0.000 0.209 629 K C 1.800 178.405 176.600 0.008 0.000 1.048 629 K CA 1.620 57.913 56.287 0.011 0.000 0.927 629 K CB -0.542 31.961 32.500 0.005 0.000 0.712 629 K HN 0.683 nan 8.250 nan 0.000 0.441 630 G N 0.059 108.865 108.800 0.010 0.000 2.514 630 G HA2 -0.366 3.595 3.960 0.001 0.000 0.217 630 G HA3 -0.366 3.595 3.960 0.001 0.000 0.217 630 G C 1.541 176.448 174.900 0.013 0.000 1.198 630 G CA 1.855 46.961 45.100 0.010 0.000 0.780 630 G HN 0.537 nan 8.290 nan 0.000 0.565 631 T N -0.480 114.082 114.554 0.013 0.000 2.951 631 T HA 0.313 4.664 4.350 0.001 0.000 0.268 631 T C 2.535 177.236 174.700 0.002 0.000 1.073 631 T CA 1.655 63.760 62.100 0.008 0.000 1.134 631 T CB -0.273 68.599 68.868 0.007 0.000 0.884 631 T HN 0.379 nan 8.240 nan 0.000 0.479 632 A N 1.369 124.192 122.820 0.005 0.000 1.902 632 A HA 0.120 4.441 4.320 0.001 0.000 0.217 632 A C 2.345 179.936 177.584 0.011 0.000 1.181 632 A CA 1.492 53.527 52.037 -0.003 0.000 0.623 632 A CB -0.780 18.221 19.000 0.001 0.000 0.818 632 A HN 0.618 nan 8.150 nan 0.000 0.443 633 I N -0.351 120.246 120.570 0.046 0.000 2.202 633 I HA -0.244 3.927 4.170 0.001 0.000 0.242 633 I C 2.968 179.139 176.117 0.091 0.000 1.091 633 I CA 0.965 62.338 61.300 0.121 0.000 1.368 633 I CB -0.315 37.734 38.000 0.081 0.000 1.058 633 I HN 0.347 nan 8.210 nan 0.000 0.410 634 A N 0.975 123.817 122.820 0.036 0.000 1.940 634 A HA -0.192 4.128 4.320 0.001 0.000 0.219 634 A C 2.248 179.831 177.584 -0.001 0.000 1.176 634 A CA 1.499 53.546 52.037 0.016 0.000 0.631 634 A CB -0.612 18.389 19.000 0.002 0.000 0.814 634 A HN 0.338 nan 8.150 nan 0.000 0.446 635 I N -0.671 119.889 120.570 -0.017 0.000 2.353 635 I HA -0.194 3.977 4.170 0.001 0.000 0.248 635 I C 2.533 178.609 176.117 -0.068 0.000 1.119 635 I CA 0.824 62.095 61.300 -0.048 0.000 1.417 635 I CB -1.505 36.460 38.000 -0.058 0.000 1.078 635 I HN 0.363 nan 8.210 nan 0.000 0.421 636 C N 0.771 120.032 119.300 -0.065 0.000 2.413 636 C HA -0.150 4.310 4.460 0.001 0.000 0.277 636 C C 2.977 177.935 174.990 -0.054 0.000 1.265 636 C CA 0.788 59.720 59.018 -0.145 0.000 1.752 636 C CB -0.987 26.600 27.740 -0.255 0.000 1.998 636 C HN 0.436 nan 8.230 nan 0.000 0.489 637 R N 0.084 120.614 120.500 0.049 0.000 2.073 637 R HA -0.038 4.302 4.340 0.001 0.000 0.229 637 R C 2.442 178.740 176.300 -0.003 0.000 1.120 637 R CA 1.006 57.141 56.100 0.058 0.000 0.967 637 R CB -0.293 30.043 30.300 0.059 0.000 0.862 637 R HN 0.554 nan 8.270 nan 0.000 0.436 638 R N 0.889 121.373 120.500 -0.027 0.000 2.120 638 R HA -0.076 4.265 4.340 0.001 0.000 0.234 638 R C 2.158 178.421 176.300 -0.062 0.000 1.123 638 R CA 1.368 57.441 56.100 -0.044 0.000 0.975 638 R CB -0.244 30.024 30.300 -0.053 0.000 0.866 638 R HN 0.380 nan 8.270 nan 0.000 0.446 639 I N -3.721 116.797 120.570 -0.086 0.000 3.883 639 I HA 0.367 4.537 4.170 0.001 0.000 0.326 639 I C 0.701 176.752 176.117 -0.110 0.000 1.283 639 I CA 0.467 61.698 61.300 -0.114 0.000 1.161 639 I CB 0.649 38.548 38.000 -0.169 0.000 1.012 639 I HN 0.179 nan 8.210 nan 0.000 0.421 640 G N 2.021 110.773 108.800 -0.079 0.000 2.141 640 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 640 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 640 G C 0.619 175.469 174.900 -0.084 0.000 0.982 640 G CA 0.441 45.505 45.100 -0.061 0.000 0.662 640 G HN 0.503 nan 8.290 nan 0.000 0.527 641 I N -0.902 119.573 120.570 -0.159 0.000 2.584 641 I HA 0.267 4.438 4.170 0.001 0.000 0.255 641 I C 1.000 176.985 176.117 -0.219 0.000 1.145 641 I CA 0.913 62.048 61.300 -0.276 0.000 1.462 641 I CB 0.009 37.722 38.000 -0.478 0.000 1.102 641 I HN 0.210 nan 8.210 nan 0.000 0.433 642 F N -0.309 119.602 119.950 -0.064 0.000 2.577 642 F HA 0.506 5.034 4.527 0.001 0.000 0.318 642 F C 0.828 176.596 175.800 -0.055 0.000 1.065 642 F CA -1.213 56.750 58.000 -0.063 0.000 0.929 642 F CB 1.579 40.535 39.000 -0.074 0.000 1.237 642 F HN -0.209 nan 8.300 nan 0.000 0.468 643 G N 1.017 109.912 108.800 0.159 0.000 2.569 643 G HA2 0.109 4.070 3.960 0.001 0.000 0.249 643 G HA3 0.109 4.070 3.960 0.001 0.000 0.249 643 G C 0.606 175.525 174.900 0.032 0.000 1.216 643 G CA -0.352 44.783 45.100 0.058 0.000 0.845 643 G HN 0.725 nan 8.290 nan 0.000 0.568 644 E N 0.793 121.000 120.200 0.012 0.000 2.114 644 E HA -0.146 4.204 4.350 0.001 0.000 0.199 644 E C 0.786 177.376 176.600 -0.017 0.000 1.008 644 E CA 1.236 57.635 56.400 -0.001 0.000 0.810 644 E CB 0.117 29.812 29.700 -0.008 0.000 0.739 644 E HN 0.552 nan 8.360 nan 0.000 0.456 645 N N 0.788 119.472 118.700 -0.026 0.000 2.365 645 N HA 0.043 4.784 4.740 0.001 0.000 0.257 645 N C -0.243 175.228 175.510 -0.064 0.000 1.287 645 N CA -0.026 52.999 53.050 -0.042 0.000 0.882 645 N CB 1.149 39.616 38.487 -0.034 0.000 1.250 645 N HN 0.216 nan 8.380 nan 0.000 0.507 646 E N 1.437 121.590 120.200 -0.080 0.000 2.373 646 E HA 0.026 4.377 4.350 0.001 0.000 0.263 646 E C -0.511 175.974 176.600 -0.193 0.000 1.073 646 E CA -0.292 56.035 56.400 -0.122 0.000 0.894 646 E CB 0.904 30.529 29.700 -0.124 0.000 1.008 646 E HN -0.011 nan 8.360 nan 0.000 0.420 647 E N 2.587 122.671 120.200 -0.193 0.000 2.167 647 E HA 0.119 4.469 4.350 0.001 0.000 0.284 647 E C -0.205 176.200 176.600 -0.324 0.000 1.016 647 E CA -0.372 55.900 56.400 -0.213 0.000 0.817 647 E CB 1.354 30.966 29.700 -0.147 0.000 1.080 647 E HN 0.324 nan 8.360 nan 0.000 0.397 648 V N 2.253 121.926 119.914 -0.401 0.000 3.276 648 V HA 0.467 4.588 4.120 0.001 0.000 0.319 648 V C 1.428 177.279 176.094 -0.405 0.000 1.427 648 V CA 0.440 62.409 62.300 -0.552 0.000 1.102 648 V CB 0.057 31.330 31.823 -0.917 0.000 1.020 648 V HN 0.619 nan 8.190 nan 0.000 0.456 649 A N 2.400 125.046 122.820 -0.291 0.000 1.958 649 A HA -0.259 4.061 4.320 0.001 0.000 0.221 649 A C 1.767 179.153 177.584 -0.330 0.000 1.178 649 A CA 2.439 54.323 52.037 -0.254 0.000 0.642 649 A CB -0.520 18.383 19.000 -0.160 0.000 0.816 649 A HN 0.863 nan 8.150 nan 0.000 0.453 650 D N -2.517 117.715 120.400 -0.280 0.000 2.501 650 D HA 0.124 4.764 4.640 0.001 0.000 0.226 650 D C 0.956 177.119 176.300 -0.229 0.000 1.198 650 D CA -0.178 53.681 54.000 -0.236 0.000 0.830 650 D CB -0.108 40.673 40.800 -0.032 0.000 1.014 650 D HN 0.501 nan 8.370 nan 0.000 0.496 651 R N -0.229 120.060 120.500 -0.351 0.000 2.531 651 R HA 0.448 4.788 4.340 0.001 0.000 0.316 651 R C -0.069 176.123 176.300 -0.180 0.000 0.955 651 R CA -0.110 55.890 56.100 -0.166 0.000 1.120 651 R CB 1.752 31.986 30.300 -0.109 0.000 1.361 651 R HN 0.107 nan 8.270 nan 0.000 0.534 652 A N 0.752 123.277 122.820 -0.492 0.000 2.408 652 A HA 0.695 5.016 4.320 0.001 0.000 0.295 652 A C -1.612 175.609 177.584 -0.606 0.000 1.040 652 A CA -0.474 51.328 52.037 -0.393 0.000 0.707 652 A CB 0.930 19.828 19.000 -0.169 0.000 1.235 652 A HN 0.136 nan 8.150 nan 0.000 0.418 653 Y N 0.140 120.292 120.300 -0.246 0.000 2.553 653 Y HA 0.620 5.171 4.550 0.001 0.000 0.347 653 Y C 0.983 176.893 175.900 0.017 0.000 1.019 653 Y CA -0.342 57.726 58.100 -0.053 0.000 1.032 653 Y CB 2.270 40.785 38.460 0.092 0.000 1.284 653 Y HN 0.781 nan 8.280 nan 0.000 0.466 654 T N -2.346 112.344 114.554 0.227 0.000 2.874 654 T HA 0.353 4.704 4.350 0.001 0.000 0.281 654 T C 1.317 176.096 174.700 0.131 0.000 0.994 654 T CA -0.137 62.040 62.100 0.128 0.000 1.015 654 T CB 1.304 70.225 68.868 0.089 0.000 1.028 654 T HN 0.861 nan 8.240 nan 0.000 0.523 655 G N 0.367 109.114 108.800 -0.087 0.000 2.442 655 G HA2 -0.177 3.784 3.960 0.001 0.000 0.219 655 G HA3 -0.177 3.784 3.960 0.001 0.000 0.219 655 G C 1.739 176.581 174.900 -0.097 0.000 1.141 655 G CA 0.057 44.869 45.100 -0.480 0.000 0.763 655 G HN 0.564 nan 8.290 nan 0.000 0.554 656 R N 0.521 121.045 120.500 0.040 0.000 2.066 656 R HA 0.003 4.344 4.340 0.001 0.000 0.232 656 R C 2.490 178.873 176.300 0.139 0.000 1.131 656 R CA 1.202 57.380 56.100 0.131 0.000 0.955 656 R CB -0.778 29.589 30.300 0.112 0.000 0.851 656 R HN 0.529 nan 8.270 nan 0.000 0.432 657 E N -0.441 119.857 120.200 0.164 0.000 2.085 657 E HA -0.210 4.141 4.350 0.001 0.000 0.194 657 E C 1.737 178.432 176.600 0.159 0.000 0.994 657 E CA 1.353 57.871 56.400 0.196 0.000 0.801 657 E CB -0.265 29.620 29.700 0.308 0.000 0.743 657 E HN 0.256 nan 8.360 nan 0.000 0.453 658 F N 1.855 121.820 119.950 0.024 0.000 2.146 658 F HA -0.201 4.327 4.527 0.001 0.000 0.298 658 F C 1.748 177.528 175.800 -0.033 0.000 1.096 658 F CA 1.353 59.299 58.000 -0.091 0.000 1.275 658 F CB 0.123 39.141 39.000 0.031 0.000 1.008 658 F HN -0.101 nan 8.300 nan 0.000 0.480 659 D N 0.432 120.841 120.400 0.016 0.000 2.178 659 D HA -0.170 4.471 4.640 0.001 0.000 0.201 659 D C 1.672 177.917 176.300 -0.093 0.000 0.980 659 D CA 1.352 55.326 54.000 -0.043 0.000 0.842 659 D CB -0.459 40.430 40.800 0.148 0.000 0.948 659 D HN 0.389 nan 8.370 nan 0.000 0.472 660 D N 0.178 120.550 120.400 -0.046 0.000 2.269 660 D HA -0.005 4.636 4.640 0.001 0.000 0.208 660 D C 0.888 177.137 176.300 -0.084 0.000 0.963 660 D CA 0.092 54.070 54.000 -0.037 0.000 0.864 660 D CB 0.112 40.919 40.800 0.012 0.000 0.936 660 D HN 0.236 nan 8.370 nan 0.000 0.505 661 L N 2.734 123.860 121.223 -0.162 0.000 2.485 661 L HA 0.089 4.430 4.340 0.001 0.000 0.275 661 L C -1.844 174.918 176.870 -0.180 0.000 1.207 661 L CA -1.344 53.386 54.840 -0.183 0.000 0.855 661 L CB -0.122 41.757 42.059 -0.300 0.000 1.114 661 L HN -0.117 nan 8.230 nan 0.000 0.485 662 P HA -0.075 nan 4.420 nan 0.000 0.268 662 P C 0.704 177.925 177.300 -0.131 0.000 1.204 662 P CA -0.351 62.690 63.100 -0.098 0.000 0.768 662 P CB 0.935 32.597 31.700 -0.063 0.000 0.842 663 L N 3.761 124.923 121.223 -0.101 0.000 2.171 663 L HA -0.313 4.028 4.340 0.001 0.000 0.216 663 L C 2.294 179.103 176.870 -0.102 0.000 1.084 663 L CA 2.733 57.522 54.840 -0.085 0.000 0.771 663 L CB -1.287 40.758 42.059 -0.025 0.000 0.890 663 L HN 0.526 nan 8.230 nan 0.000 0.437 664 A N -1.051 121.718 122.820 -0.085 0.000 1.854 664 A HA -0.164 4.156 4.320 0.001 0.000 0.214 664 A C 2.099 179.625 177.584 -0.097 0.000 1.192 664 A CA 1.425 53.419 52.037 -0.071 0.000 0.611 664 A CB -0.575 18.399 19.000 -0.042 0.000 0.832 664 A HN 0.578 nan 8.150 nan 0.000 0.442 665 E N 0.032 120.169 120.200 -0.104 0.000 2.338 665 E HA -0.180 4.170 4.350 0.001 0.000 0.197 665 E C 2.120 178.620 176.600 -0.167 0.000 1.007 665 E CA 0.832 57.173 56.400 -0.098 0.000 0.849 665 E CB -0.165 29.489 29.700 -0.077 0.000 0.774 665 E HN 0.692 nan 8.360 nan 0.000 0.506 666 Q N 0.541 120.150 119.800 -0.319 0.000 2.050 666 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 666 Q C 2.247 178.020 176.000 -0.380 0.000 0.980 666 Q CA 1.097 56.583 55.803 -0.528 0.000 0.840 666 Q CB -0.196 28.004 28.738 -0.897 0.000 0.898 666 Q HN 0.154 nan 8.270 nan 0.000 0.424 667 R N 0.715 120.918 120.500 -0.494 0.000 2.091 667 R HA -0.213 4.128 4.340 0.001 0.000 0.238 667 R C 2.175 178.538 176.300 0.104 0.000 1.136 667 R CA 1.687 57.631 56.100 -0.259 0.000 0.959 667 R CB -0.010 30.220 30.300 -0.116 0.000 0.856 667 R HN 0.110 nan 8.270 nan 0.000 0.437 668 E N 0.350 120.597 120.200 0.078 0.000 2.072 668 E HA -0.115 4.236 4.350 0.001 0.000 0.191 668 E C 1.674 178.330 176.600 0.095 0.000 0.985 668 E CA 1.712 58.178 56.400 0.111 0.000 0.801 668 E CB -0.314 29.432 29.700 0.076 0.000 0.750 668 E HN 0.398 nan 8.360 nan 0.000 0.452 669 A N 0.008 122.890 122.820 0.105 0.000 1.948 669 A HA -0.240 4.081 4.320 0.001 0.000 0.220 669 A C 2.553 180.307 177.584 0.283 0.000 1.177 669 A CA 1.638 53.794 52.037 0.198 0.000 0.636 669 A CB -1.149 17.941 19.000 0.150 0.000 0.815 669 A HN 0.507 nan 8.150 nan 0.000 0.449 670 C N -1.372 118.075 119.300 0.245 0.000 2.432 670 C HA 0.008 4.469 4.460 0.001 0.000 0.282 670 C C 2.691 177.745 174.990 0.107 0.000 1.388 670 C CA 0.910 60.057 59.018 0.214 0.000 1.777 670 C CB -1.288 26.546 27.740 0.158 0.000 1.882 670 C HN 0.565 nan 8.230 nan 0.000 0.520 671 R N -0.368 120.137 120.500 0.008 0.000 2.254 671 R HA 0.063 4.404 4.340 0.001 0.000 0.195 671 R C 2.327 178.619 176.300 -0.012 0.000 0.957 671 R CA 0.287 56.323 56.100 -0.106 0.000 1.024 671 R CB -0.031 30.086 30.300 -0.305 0.000 0.952 671 R HN 0.518 nan 8.270 nan 0.000 0.484 672 R N 0.111 120.650 120.500 0.064 0.000 2.164 672 R HA 0.224 4.564 4.340 0.001 0.000 0.198 672 R C 0.090 176.459 176.300 0.114 0.000 1.028 672 R CA 0.386 56.535 56.100 0.082 0.000 1.083 672 R CB 0.379 30.737 30.300 0.096 0.000 1.026 672 R HN 0.023 nan 8.270 nan 0.000 0.514 673 A N 0.097 123.015 122.820 0.164 0.000 2.371 673 A HA 0.260 4.581 4.320 0.001 0.000 0.257 673 A C 0.284 177.890 177.584 0.036 0.000 1.089 673 A CA -0.439 51.654 52.037 0.093 0.000 0.794 673 A CB 0.731 19.757 19.000 0.044 0.000 1.029 673 A HN 0.566 nan 8.150 nan 0.000 0.488 674 C N 0.438 119.730 119.300 -0.013 0.000 3.336 674 C HA 0.395 4.855 4.460 0.001 0.000 0.291 674 C C 0.426 175.260 174.990 -0.260 0.000 1.363 674 C CA -0.298 58.641 59.018 -0.132 0.000 1.737 674 C CB -1.343 26.238 27.740 -0.265 0.000 2.274 674 C HN 0.839 nan 8.230 nan 0.000 0.663 675 C N 1.425 120.538 119.300 -0.312 0.000 2.607 675 C HA 0.719 5.180 4.460 0.001 0.000 0.350 675 C C -1.551 173.146 174.990 -0.489 0.000 1.101 675 C CA -0.565 58.289 59.018 -0.273 0.000 1.282 675 C CB -0.613 27.071 27.740 -0.093 0.000 1.825 675 C HN 0.421 nan 8.230 nan 0.000 0.460 676 F N 4.825 124.768 119.950 -0.012 0.000 2.477 676 F HA 0.733 5.261 4.527 0.001 0.000 0.335 676 F C 0.555 176.332 175.800 -0.037 0.000 1.130 676 F CA -0.089 57.895 58.000 -0.028 0.000 0.948 676 F CB 1.764 40.691 39.000 -0.121 0.000 1.154 676 F HN 0.848 nan 8.300 nan 0.000 0.439 677 A N 2.432 125.317 122.820 0.108 0.000 2.387 677 A HA 0.801 5.122 4.320 0.001 0.000 0.303 677 A C 0.395 178.001 177.584 0.035 0.000 1.145 677 A CA -0.952 51.118 52.037 0.056 0.000 0.801 677 A CB 1.061 20.080 19.000 0.032 0.000 1.342 677 A HN 0.794 nan 8.150 nan 0.000 0.440 678 R N -1.174 119.343 120.500 0.027 0.000 3.416 678 R HA -0.137 4.204 4.340 0.001 0.000 0.263 678 R C -0.553 175.755 176.300 0.013 0.000 1.053 678 R CA 0.612 56.727 56.100 0.024 0.000 0.705 678 R CB -2.118 28.200 30.300 0.031 0.000 1.124 678 R HN 0.488 nan 8.270 nan 0.000 0.444 679 V N 0.713 120.639 119.914 0.020 0.000 2.743 679 V HA 0.191 4.312 4.120 0.001 0.000 0.301 679 V C 1.004 177.205 176.094 0.177 0.000 1.057 679 V CA -0.184 62.151 62.300 0.060 0.000 1.006 679 V CB 1.857 33.701 31.823 0.035 0.000 1.024 679 V HN 0.187 nan 8.190 nan 0.000 0.473 680 E N 4.031 124.483 120.200 0.420 0.000 2.232 680 E HA 0.305 4.656 4.350 0.001 0.000 0.264 680 E C -1.868 174.754 176.600 0.036 0.000 0.973 680 E CA -1.682 54.787 56.400 0.115 0.000 0.849 680 E CB 1.401 31.093 29.700 -0.012 0.000 1.198 680 E HN 0.373 nan 8.360 nan 0.000 0.407 681 P HA -0.179 nan 4.420 nan 0.000 0.216 681 P C 1.186 178.450 177.300 -0.061 0.000 1.154 681 P CA 1.393 64.459 63.100 -0.056 0.000 0.865 681 P CB 0.222 31.872 31.700 -0.084 0.000 0.789 682 S N -1.764 113.869 115.700 -0.111 0.000 2.382 682 S HA -0.209 4.261 4.470 0.001 0.000 0.228 682 S C 1.660 176.197 174.600 -0.106 0.000 1.027 682 S CA 1.245 59.362 58.200 -0.138 0.000 0.991 682 S CB -1.111 61.963 63.200 -0.210 0.000 0.823 682 S HN 0.393 nan 8.310 nan 0.000 0.469 683 H N 1.129 120.176 119.070 -0.039 0.000 2.387 683 H HA -0.027 4.530 4.556 0.001 0.000 0.299 683 H C 2.234 177.487 175.328 -0.126 0.000 1.099 683 H CA 1.388 57.406 56.048 -0.049 0.000 1.315 683 H CB 0.095 29.837 29.762 -0.034 0.000 1.380 683 H HN 0.302 nan 8.280 nan 0.000 0.513 684 K N 0.253 120.661 120.400 0.014 0.000 2.025 684 K HA -0.103 4.218 4.320 0.001 0.000 0.207 684 K C 2.503 179.061 176.600 -0.070 0.000 1.049 684 K CA 1.496 57.750 56.287 -0.056 0.000 0.933 684 K CB -0.108 32.373 32.500 -0.033 0.000 0.714 684 K HN 0.316 nan 8.250 nan 0.000 0.438 685 S N 1.732 117.398 115.700 -0.057 0.000 2.399 685 S HA -0.167 4.303 4.470 0.001 0.000 0.231 685 S C 2.070 176.623 174.600 -0.078 0.000 1.022 685 S CA 1.194 59.356 58.200 -0.064 0.000 0.983 685 S CB -0.163 62.999 63.200 -0.063 0.000 0.803 685 S HN 0.247 nan 8.310 nan 0.000 0.480 686 K N 1.260 121.616 120.400 -0.072 0.000 2.026 686 K HA 0.013 4.333 4.320 0.001 0.000 0.208 686 K C 2.109 178.678 176.600 -0.052 0.000 1.048 686 K CA 1.562 57.798 56.287 -0.084 0.000 0.929 686 K CB -0.356 32.157 32.500 0.020 0.000 0.713 686 K HN 0.456 nan 8.250 nan 0.000 0.439 687 I N 0.742 121.268 120.570 -0.074 0.000 2.226 687 I HA -0.254 3.917 4.170 0.001 0.000 0.245 687 I C 2.208 178.304 176.117 -0.036 0.000 1.100 687 I CA 0.804 62.019 61.300 -0.141 0.000 1.374 687 I CB -0.123 37.564 38.000 -0.521 0.000 1.057 687 I HN 0.007 nan 8.210 nan 0.000 0.413 688 V N 0.672 120.551 119.914 -0.058 0.000 2.343 688 V HA -0.295 3.825 4.120 0.001 0.000 0.247 688 V C 2.482 178.577 176.094 0.002 0.000 1.051 688 V CA 2.005 64.290 62.300 -0.024 0.000 1.036 688 V CB -0.570 31.232 31.823 -0.036 0.000 0.654 688 V HN 0.474 nan 8.190 nan 0.000 0.451 689 E N -0.892 119.283 120.200 -0.043 0.000 2.077 689 E HA -0.237 4.114 4.350 0.001 0.000 0.193 689 E C 2.169 178.760 176.600 -0.014 0.000 0.989 689 E CA 1.608 57.962 56.400 -0.076 0.000 0.800 689 E CB -0.225 29.364 29.700 -0.185 0.000 0.746 689 E HN 0.748 nan 8.360 nan 0.000 0.452 690 Y N -0.227 120.108 120.300 0.059 0.000 2.181 690 Y HA -0.229 4.321 4.550 0.001 0.000 0.288 690 Y C 2.247 178.262 175.900 0.191 0.000 1.146 690 Y CA 0.288 58.459 58.100 0.119 0.000 1.164 690 Y CB 0.085 38.647 38.460 0.170 0.000 0.982 690 Y HN 0.149 nan 8.280 nan 0.000 0.515 691 L N 0.257 121.658 121.223 0.297 0.000 2.046 691 L HA -0.268 4.073 4.340 0.001 0.000 0.208 691 L C 2.133 179.137 176.870 0.224 0.000 1.077 691 L CA 1.811 56.792 54.840 0.235 0.000 0.747 691 L CB -1.099 41.025 42.059 0.109 0.000 0.896 691 L HN 0.304 nan 8.230 nan 0.000 0.432 692 Q N -1.370 118.512 119.800 0.138 0.000 2.364 692 Q HA -0.126 4.214 4.340 0.001 0.000 0.207 692 Q C 2.154 178.210 176.000 0.095 0.000 0.970 692 Q CA 1.231 57.089 55.803 0.091 0.000 0.888 692 Q CB -0.192 28.567 28.738 0.035 0.000 0.951 692 Q HN 0.644 nan 8.270 nan 0.000 0.469 693 S N -0.672 115.101 115.700 0.122 0.000 2.481 693 S HA -0.122 4.349 4.470 0.001 0.000 0.231 693 S C 1.147 175.723 174.600 -0.039 0.000 0.996 693 S CA 0.538 58.756 58.200 0.030 0.000 0.942 693 S CB -0.154 63.066 63.200 0.034 0.000 0.768 693 S HN 0.403 nan 8.310 nan 0.000 0.520 694 Y N 1.809 122.143 120.300 0.057 0.000 2.493 694 Y HA 0.279 4.830 4.550 0.001 0.000 0.275 694 Y C 0.418 176.334 175.900 0.026 0.000 1.183 694 Y CA -0.398 57.728 58.100 0.042 0.000 1.258 694 Y CB -0.093 38.394 38.460 0.046 0.000 1.108 694 Y HN 0.198 nan 8.280 nan 0.000 0.521 695 D N 0.653 121.132 120.400 0.132 0.000 2.981 695 D HA -0.210 4.431 4.640 0.001 0.000 0.223 695 D C -0.385 175.960 176.300 0.075 0.000 1.151 695 D CA 0.764 54.811 54.000 0.078 0.000 0.827 695 D CB -0.862 39.971 40.800 0.057 0.000 1.101 695 D HN 0.516 nan 8.370 nan 0.000 0.426 696 E N 0.094 120.352 120.200 0.097 0.000 2.249 696 E HA 0.303 4.654 4.350 0.001 0.000 0.280 696 E C 0.708 177.327 176.600 0.031 0.000 1.016 696 E CA -0.758 55.678 56.400 0.059 0.000 0.830 696 E CB 1.327 31.064 29.700 0.062 0.000 1.081 696 E HN 0.070 nan 8.360 nan 0.000 0.395 697 I N 3.502 124.075 120.570 0.006 0.000 2.436 697 I HA 0.024 4.195 4.170 0.001 0.000 0.289 697 I C 0.712 176.825 176.117 -0.007 0.000 1.083 697 I CA 0.243 61.536 61.300 -0.011 0.000 1.372 697 I CB -0.127 37.852 38.000 -0.034 0.000 1.408 697 I HN 0.472 nan 8.210 nan 0.000 0.516 698 T N 3.576 118.128 114.554 -0.004 0.000 2.855 698 T HA 0.841 5.191 4.350 0.001 0.000 0.281 698 T C -0.273 174.419 174.700 -0.013 0.000 1.007 698 T CA -0.741 61.358 62.100 -0.002 0.000 1.009 698 T CB 2.211 71.084 68.868 0.009 0.000 0.983 698 T HN 0.638 nan 8.240 nan 0.000 0.455 699 A N 3.138 125.950 122.820 -0.013 0.000 2.330 699 A HA 0.888 5.209 4.320 0.001 0.000 0.329 699 A C -0.526 177.050 177.584 -0.013 0.000 1.135 699 A CA -1.098 50.925 52.037 -0.022 0.000 0.817 699 A CB 1.562 20.541 19.000 -0.036 0.000 1.269 699 A HN 0.993 nan 8.150 nan 0.000 0.469 700 M N 1.121 120.710 119.600 -0.018 0.000 2.267 700 M HA 0.553 5.034 4.480 0.001 0.000 0.289 700 M C -1.182 175.112 176.300 -0.010 0.000 1.043 700 M CA 0.122 55.417 55.300 -0.007 0.000 0.928 700 M CB 2.034 34.627 32.600 -0.013 0.000 1.613 700 M HN 0.557 nan 8.290 nan 0.000 0.450 701 T N 3.182 117.745 114.554 0.014 0.000 2.807 701 T HA 0.966 5.316 4.350 0.001 0.000 0.279 701 T C -0.213 174.511 174.700 0.040 0.000 0.993 701 T CA -0.559 61.551 62.100 0.017 0.000 0.970 701 T CB 1.533 70.430 68.868 0.049 0.000 0.950 701 T HN 0.942 nan 8.240 nan 0.000 0.441 702 G N 0.948 109.763 108.800 0.024 0.000 2.550 702 G HA2 0.543 4.504 3.960 0.001 0.000 0.293 702 G HA3 0.543 4.504 3.960 0.001 0.000 0.293 702 G C -0.943 173.968 174.900 0.018 0.000 1.402 702 G CA -0.679 44.436 45.100 0.025 0.000 0.784 702 G HN 0.580 nan 8.290 nan 0.000 0.482 703 D N -1.545 118.865 120.400 0.017 0.000 2.453 703 D HA 0.200 4.841 4.640 0.001 0.000 0.256 703 D C 1.008 177.317 176.300 0.014 0.000 1.152 703 D CA 0.702 54.713 54.000 0.017 0.000 0.818 703 D CB 0.323 41.138 40.800 0.024 0.000 1.259 703 D HN 0.791 nan 8.370 nan 0.000 0.531 704 G N 0.973 109.775 108.800 0.003 0.000 2.477 704 G HA2 0.406 4.366 3.960 0.001 0.000 0.304 704 G HA3 0.406 4.366 3.960 0.001 0.000 0.304 704 G C 1.117 176.000 174.900 -0.028 0.000 1.175 704 G CA -0.095 44.999 45.100 -0.011 0.000 0.907 704 G HN 0.195 nan 8.290 nan 0.000 0.509 705 V N -0.082 119.793 119.914 -0.064 0.000 2.970 705 V HA -0.097 4.024 4.120 0.001 0.000 0.260 705 V C 1.945 177.985 176.094 -0.091 0.000 1.100 705 V CA 1.859 64.104 62.300 -0.091 0.000 1.122 705 V CB -0.657 31.036 31.823 -0.215 0.000 0.721 705 V HN 0.734 nan 8.190 nan 0.000 0.483 706 N N -0.022 118.626 118.700 -0.086 0.000 2.571 706 N HA -0.130 4.611 4.740 0.001 0.000 0.189 706 N C 1.008 176.489 175.510 -0.049 0.000 1.154 706 N CA 1.387 54.392 53.050 -0.075 0.000 0.907 706 N CB -0.407 38.037 38.487 -0.072 0.000 0.977 706 N HN 0.586 nan 8.380 nan 0.000 0.449 707 D N 0.399 120.776 120.400 -0.038 0.000 2.392 707 D HA 0.194 4.835 4.640 0.001 0.000 0.206 707 D C 1.762 178.045 176.300 -0.028 0.000 1.046 707 D CA 0.340 54.324 54.000 -0.026 0.000 0.865 707 D CB 0.253 41.045 40.800 -0.013 0.000 0.969 707 D HN 0.306 nan 8.370 nan 0.000 0.509 708 A N 2.299 125.100 122.820 -0.031 0.000 1.903 708 A HA -0.179 4.142 4.320 0.001 0.000 0.219 708 A C -0.239 177.327 177.584 -0.030 0.000 1.191 708 A CA 1.635 53.656 52.037 -0.027 0.000 0.638 708 A CB -1.556 17.428 19.000 -0.026 0.000 0.823 708 A HN 0.176 nan 8.150 nan 0.000 0.451 709 P HA -0.136 nan 4.420 nan 0.000 0.214 709 P C 1.790 179.066 177.300 -0.039 0.000 1.163 709 P CA 2.087 65.162 63.100 -0.041 0.000 0.883 709 P CB -0.161 31.509 31.700 -0.050 0.000 0.788 710 A N -0.945 121.852 122.820 -0.038 0.000 1.969 710 A HA -0.140 4.181 4.320 0.001 0.000 0.218 710 A C 2.177 179.743 177.584 -0.030 0.000 1.169 710 A CA 1.327 53.342 52.037 -0.036 0.000 0.635 710 A CB -1.658 17.321 19.000 -0.034 0.000 0.810 710 A HN 0.112 nan 8.150 nan 0.000 0.445 711 L N -1.296 119.911 121.223 -0.026 0.000 2.141 711 L HA -0.142 4.199 4.340 0.001 0.000 0.209 711 L C 2.534 179.389 176.870 -0.026 0.000 1.094 711 L CA 1.518 56.343 54.840 -0.024 0.000 0.763 711 L CB -0.249 41.798 42.059 -0.020 0.000 0.908 711 L HN 0.250 nan 8.230 nan 0.000 0.437 712 K N 0.550 120.933 120.400 -0.027 0.000 2.044 712 K HA -0.158 4.162 4.320 0.001 0.000 0.204 712 K C 2.085 178.667 176.600 -0.030 0.000 1.049 712 K CA 1.223 57.493 56.287 -0.028 0.000 0.945 712 K CB -0.021 32.463 32.500 -0.028 0.000 0.724 712 K HN -0.111 nan 8.250 nan 0.000 0.440 713 K N 0.526 120.906 120.400 -0.033 0.000 2.063 713 K HA 0.017 4.338 4.320 0.001 0.000 0.208 713 K C 0.121 176.703 176.600 -0.030 0.000 1.048 713 K CA 1.098 57.364 56.287 -0.035 0.000 0.928 713 K CB -0.507 31.967 32.500 -0.043 0.000 0.713 713 K HN 0.215 nan 8.250 nan 0.000 0.442 714 A N 0.867 123.670 122.820 -0.028 0.000 2.507 714 A HA 0.014 4.335 4.320 0.001 0.000 0.235 714 A C 0.777 178.346 177.584 -0.025 0.000 1.070 714 A CA 0.031 52.053 52.037 -0.024 0.000 0.768 714 A CB 0.165 19.151 19.000 -0.023 0.000 1.011 714 A HN 0.443 nan 8.150 nan 0.000 0.502 715 E N 0.165 120.350 120.200 -0.024 0.000 2.077 715 E HA -0.087 4.264 4.350 0.001 0.000 0.193 715 E C -0.329 176.252 176.600 -0.031 0.000 0.989 715 E CA 1.411 57.795 56.400 -0.028 0.000 0.800 715 E CB -0.156 29.527 29.700 -0.029 0.000 0.746 715 E HN 0.629 nan 8.360 nan 0.000 0.452 716 I N 0.112 120.662 120.570 -0.033 0.000 2.420 716 I HA 0.324 4.495 4.170 0.001 0.000 0.282 716 I C 0.114 176.209 176.117 -0.037 0.000 1.019 716 I CA -0.543 60.734 61.300 -0.037 0.000 1.130 716 I CB 2.014 39.988 38.000 -0.044 0.000 1.262 716 I HN -0.133 nan 8.210 nan 0.000 0.454 717 G N 7.010 115.789 108.800 -0.035 0.000 2.325 717 G HA2 0.723 4.684 3.960 0.001 0.000 0.298 717 G HA3 0.723 4.684 3.960 0.001 0.000 0.298 717 G C -0.466 174.410 174.900 -0.039 0.000 1.134 717 G CA -0.323 44.757 45.100 -0.033 0.000 0.876 717 G HN 0.514 nan 8.290 nan 0.000 0.452 718 I N 2.135 122.679 120.570 -0.043 0.000 2.410 718 I HA 0.459 4.629 4.170 0.001 0.000 0.286 718 I C 0.396 176.489 176.117 -0.040 0.000 1.009 718 I CA -0.700 60.567 61.300 -0.055 0.000 1.111 718 I CB 1.909 39.853 38.000 -0.093 0.000 1.262 718 I HN 0.541 nan 8.210 nan 0.000 0.443 719 A N 7.540 130.341 122.820 -0.032 0.000 2.306 719 A HA 0.811 5.132 4.320 0.001 0.000 0.330 719 A C -0.079 177.497 177.584 -0.014 0.000 1.146 719 A CA -0.709 51.318 52.037 -0.016 0.000 0.827 719 A CB 1.013 20.007 19.000 -0.011 0.000 1.178 719 A HN 0.595 nan 8.150 nan 0.000 0.490 720 M N 1.809 121.409 119.600 0.001 0.000 2.238 720 M HA 0.150 4.631 4.480 0.001 0.000 0.347 720 M C 1.613 177.915 176.300 0.004 0.000 1.173 720 M CA 0.180 55.484 55.300 0.007 0.000 1.147 720 M CB 0.370 32.984 32.600 0.023 0.000 1.547 720 M HN 0.925 nan 8.290 nan 0.000 0.455 721 G N 1.343 110.144 108.800 0.002 0.000 2.442 721 G HA2 -0.171 3.790 3.960 0.001 0.000 0.219 721 G HA3 -0.171 3.790 3.960 0.001 0.000 0.219 721 G C 1.157 176.060 174.900 0.004 0.000 1.141 721 G CA 1.156 46.256 45.100 0.000 0.000 0.763 721 G HN 0.752 nan 8.290 nan 0.000 0.554 722 S N 0.022 115.728 115.700 0.010 0.000 2.614 722 S HA 0.509 4.980 4.470 0.001 0.000 0.230 722 S C 1.084 175.695 174.600 0.018 0.000 0.952 722 S CA 0.128 58.335 58.200 0.012 0.000 0.949 722 S CB 0.434 63.642 63.200 0.014 0.000 0.786 722 S HN 0.467 nan 8.310 nan 0.000 0.478 723 G N 1.548 110.359 108.800 0.019 0.000 2.532 723 G HA2 0.499 4.460 3.960 0.001 0.000 0.291 723 G HA3 0.499 4.460 3.960 0.001 0.000 0.291 723 G C 0.082 175.001 174.900 0.032 0.000 1.349 723 G CA -0.215 44.901 45.100 0.026 0.000 1.038 723 G HN 0.476 nan 8.290 nan 0.000 0.518 724 T N -2.725 111.856 114.554 0.044 0.000 2.856 724 T HA 0.393 4.744 4.350 0.001 0.000 0.306 724 T C 1.601 176.332 174.700 0.052 0.000 1.062 724 T CA 0.468 62.608 62.100 0.067 0.000 1.083 724 T CB 1.289 70.218 68.868 0.101 0.000 0.984 724 T HN 0.884 nan 8.240 nan 0.000 0.542 725 A N 1.712 124.567 122.820 0.058 0.000 1.930 725 A HA 0.070 4.391 4.320 0.001 0.000 0.217 725 A C 2.420 180.030 177.584 0.043 0.000 1.175 725 A CA 1.299 53.357 52.037 0.035 0.000 0.627 725 A CB -1.083 17.928 19.000 0.020 0.000 0.815 725 A HN 0.755 nan 8.150 nan 0.000 0.443 726 V N 0.067 120.029 119.914 0.080 0.000 2.287 726 V HA -0.302 3.819 4.120 0.001 0.000 0.248 726 V C 3.073 179.185 176.094 0.031 0.000 1.053 726 V CA 2.092 64.433 62.300 0.068 0.000 1.027 726 V CB -1.326 30.556 31.823 0.099 0.000 0.646 726 V HN 0.615 nan 8.190 nan 0.000 0.447 727 A N -0.323 122.513 122.820 0.027 0.000 1.883 727 A HA -0.263 4.058 4.320 0.001 0.000 0.217 727 A C 2.289 179.875 177.584 0.003 0.000 1.186 727 A CA 2.172 54.215 52.037 0.009 0.000 0.624 727 A CB -0.475 18.530 19.000 0.010 0.000 0.822 727 A HN 0.562 nan 8.150 nan 0.000 0.444 728 K N -0.632 119.771 120.400 0.006 0.000 2.009 728 K HA -0.138 4.183 4.320 0.001 0.000 0.210 728 K C 2.166 178.760 176.600 -0.009 0.000 1.049 728 K CA 1.945 58.230 56.287 -0.004 0.000 0.929 728 K CB -0.577 31.922 32.500 -0.002 0.000 0.714 728 K HN 0.704 nan 8.250 nan 0.000 0.440 729 T N -1.342 113.210 114.554 -0.004 0.000 3.098 729 T HA 0.012 4.363 4.350 0.001 0.000 0.266 729 T C 1.534 176.227 174.700 -0.012 0.000 1.145 729 T CA 0.928 63.022 62.100 -0.010 0.000 1.092 729 T CB -0.007 68.858 68.868 -0.006 0.000 0.908 729 T HN 0.172 nan 8.240 nan 0.000 0.526 730 A N 0.310 123.124 122.820 -0.010 0.000 2.387 730 A HA 0.611 4.932 4.320 0.001 0.000 0.234 730 A C 1.052 178.625 177.584 -0.019 0.000 1.253 730 A CA -0.546 51.483 52.037 -0.014 0.000 0.894 730 A CB 0.278 19.271 19.000 -0.012 0.000 0.963 730 A HN 0.440 nan 8.150 nan 0.000 0.508 731 S N -0.731 114.957 115.700 -0.021 0.000 2.664 731 S HA 0.425 4.896 4.470 0.001 0.000 0.304 731 S C 0.380 174.963 174.600 -0.029 0.000 1.099 731 S CA -0.449 57.736 58.200 -0.025 0.000 1.003 731 S CB 1.534 64.719 63.200 -0.025 0.000 1.092 731 S HN 0.291 nan 8.310 nan 0.000 0.525 732 E N 0.373 120.554 120.200 -0.031 0.000 2.190 732 E HA 0.272 4.622 4.350 0.001 0.000 0.191 732 E C -0.035 176.545 176.600 -0.033 0.000 0.978 732 E CA 0.932 57.312 56.400 -0.032 0.000 0.839 732 E CB 0.189 29.870 29.700 -0.033 0.000 0.787 732 E HN 0.472 nan 8.360 nan 0.000 0.473 733 M N -0.594 118.984 119.600 -0.036 0.000 2.631 733 M HA 0.460 4.941 4.480 0.001 0.000 0.288 733 M C -1.424 174.853 176.300 -0.038 0.000 1.260 733 M CA -0.982 54.295 55.300 -0.038 0.000 0.842 733 M CB 3.110 35.682 32.600 -0.047 0.000 1.743 733 M HN -0.375 nan 8.290 nan 0.000 0.461 734 V N 2.392 122.284 119.914 -0.036 0.000 2.638 734 V HA 0.414 4.535 4.120 0.001 0.000 0.306 734 V C -0.695 175.378 176.094 -0.035 0.000 1.052 734 V CA -0.704 61.577 62.300 -0.032 0.000 0.885 734 V CB 2.123 33.932 31.823 -0.023 0.000 0.999 734 V HN 0.673 nan 8.190 nan 0.000 0.424 735 L N 4.101 125.302 121.223 -0.038 0.000 2.375 735 L HA 0.330 4.671 4.340 0.001 0.000 0.276 735 L C 1.770 178.629 176.870 -0.019 0.000 1.162 735 L CA -0.228 54.589 54.840 -0.038 0.000 0.991 735 L CB 0.640 42.668 42.059 -0.051 0.000 1.315 735 L HN 0.882 nan 8.230 nan 0.000 0.431 736 A N 2.132 124.943 122.820 -0.016 0.000 2.093 736 A HA -0.217 4.104 4.320 0.001 0.000 0.222 736 A C 1.462 179.045 177.584 -0.002 0.000 1.162 736 A CA 2.022 54.054 52.037 -0.008 0.000 0.655 736 A CB -0.362 18.634 19.000 -0.008 0.000 0.805 736 A HN 0.848 nan 8.150 nan 0.000 0.461 737 D N -2.697 117.703 120.400 -0.000 0.000 2.501 737 D HA 0.109 4.750 4.640 0.001 0.000 0.224 737 D C -0.269 176.040 176.300 0.016 0.000 1.202 737 D CA 0.312 54.317 54.000 0.008 0.000 0.829 737 D CB -0.432 40.374 40.800 0.009 0.000 1.023 737 D HN 0.234 nan 8.370 nan 0.000 0.499 738 D N 0.256 120.665 120.400 0.015 0.000 3.059 738 D HA -0.218 4.422 4.640 0.001 0.000 0.222 738 D C -0.181 176.152 176.300 0.055 0.000 1.185 738 D CA 0.744 54.763 54.000 0.031 0.000 0.904 738 D CB -1.301 39.518 40.800 0.032 0.000 1.122 738 D HN 0.437 nan 8.370 nan 0.000 0.410 739 N N -0.252 118.473 118.700 0.042 0.000 2.444 739 N HA 0.084 4.825 4.740 0.001 0.000 0.271 739 N C 0.654 176.212 175.510 0.080 0.000 1.069 739 N CA -0.259 52.832 53.050 0.068 0.000 0.965 739 N CB 0.406 38.918 38.487 0.042 0.000 1.092 739 N HN -0.106 nan 8.380 nan 0.000 0.476 740 F N 2.511 122.453 119.950 -0.013 0.000 2.293 740 F HA -0.086 4.442 4.527 0.001 0.000 0.300 740 F C 2.271 178.063 175.800 -0.013 0.000 1.086 740 F CA 0.981 58.972 58.000 -0.015 0.000 1.375 740 F CB 0.232 39.220 39.000 -0.020 0.000 1.045 740 F HN 0.500 nan 8.300 nan 0.000 0.516 741 S N -0.951 114.825 115.700 0.126 0.000 2.442 741 S HA -0.175 4.295 4.470 0.001 0.000 0.236 741 S C 1.966 176.559 174.600 -0.012 0.000 1.007 741 S CA 1.573 59.809 58.200 0.061 0.000 0.965 741 S CB -0.505 62.729 63.200 0.056 0.000 0.773 741 S HN 0.405 nan 8.310 nan 0.000 0.504 742 T N 2.760 117.290 114.554 -0.041 0.000 2.833 742 T HA -0.005 4.346 4.350 0.001 0.000 0.269 742 T C 1.681 176.317 174.700 -0.107 0.000 1.054 742 T CA 0.768 62.831 62.100 -0.062 0.000 1.135 742 T CB -0.231 68.602 68.868 -0.059 0.000 0.869 742 T HN 0.270 nan 8.240 nan 0.000 0.466 743 I N 1.258 121.708 120.570 -0.201 0.000 2.127 743 I HA -0.127 4.044 4.170 0.001 0.000 0.241 743 I C 2.586 178.622 176.117 -0.136 0.000 1.075 743 I CA 1.109 62.263 61.300 -0.242 0.000 1.334 743 I CB -1.609 36.100 38.000 -0.484 0.000 1.040 743 I HN 0.129 nan 8.210 nan 0.000 0.405 744 V N 1.608 121.466 119.914 -0.093 0.000 2.282 744 V HA -0.293 3.828 4.120 0.001 0.000 0.249 744 V C 2.859 178.937 176.094 -0.027 0.000 1.057 744 V CA 2.016 64.295 62.300 -0.035 0.000 1.032 744 V CB -1.332 30.494 31.823 0.006 0.000 0.645 744 V HN 0.494 nan 8.190 nan 0.000 0.447 745 A N -0.224 122.580 122.820 -0.026 0.000 1.972 745 A HA -0.056 4.265 4.320 0.001 0.000 0.219 745 A C 2.368 179.940 177.584 -0.020 0.000 1.169 745 A CA 1.982 54.010 52.037 -0.016 0.000 0.635 745 A CB -0.625 18.367 19.000 -0.012 0.000 0.810 745 A HN 0.594 nan 8.150 nan 0.000 0.446 746 A N -0.720 122.077 122.820 -0.038 0.000 1.968 746 A HA 0.116 4.437 4.320 0.001 0.000 0.217 746 A C 2.170 179.737 177.584 -0.029 0.000 1.169 746 A CA 1.450 53.465 52.037 -0.036 0.000 0.638 746 A CB -0.667 18.300 19.000 -0.056 0.000 0.812 746 A HN 0.323 nan 8.150 nan 0.000 0.446 747 V N 0.144 120.037 119.914 -0.036 0.000 2.307 747 V HA -0.267 3.854 4.120 0.001 0.000 0.245 747 V C 2.524 178.613 176.094 -0.009 0.000 1.045 747 V CA 2.294 64.578 62.300 -0.027 0.000 1.024 747 V CB -0.666 31.140 31.823 -0.029 0.000 0.651 747 V HN 0.799 nan 8.190 nan 0.000 0.449 748 E N 0.159 120.357 120.200 -0.004 0.000 2.085 748 E HA -0.316 4.035 4.350 0.001 0.000 0.194 748 E C 2.169 178.778 176.600 0.016 0.000 0.994 748 E CA 1.762 58.167 56.400 0.008 0.000 0.801 748 E CB -0.068 29.637 29.700 0.008 0.000 0.743 748 E HN 0.615 nan 8.360 nan 0.000 0.453 749 E N -0.224 119.984 120.200 0.012 0.000 2.077 749 E HA -0.114 4.237 4.350 0.001 0.000 0.193 749 E C 1.883 178.500 176.600 0.029 0.000 0.989 749 E CA 1.587 57.999 56.400 0.020 0.000 0.800 749 E CB -0.687 29.022 29.700 0.014 0.000 0.746 749 E HN 0.377 nan 8.360 nan 0.000 0.452 750 G N 0.255 109.066 108.800 0.019 0.000 2.440 750 G HA2 -0.301 3.660 3.960 0.001 0.000 0.218 750 G HA3 -0.301 3.660 3.960 0.001 0.000 0.218 750 G C 1.638 176.569 174.900 0.052 0.000 1.154 750 G CA 0.900 46.015 45.100 0.024 0.000 0.767 750 G HN 0.189 nan 8.290 nan 0.000 0.552 751 R N 0.421 120.948 120.500 0.044 0.000 2.066 751 R HA 0.069 4.410 4.340 0.001 0.000 0.232 751 R C 3.086 179.439 176.300 0.088 0.000 1.131 751 R CA 1.102 57.245 56.100 0.072 0.000 0.955 751 R CB -0.427 29.899 30.300 0.044 0.000 0.851 751 R HN 0.342 nan 8.270 nan 0.000 0.432 752 A N 1.694 124.547 122.820 0.056 0.000 1.865 752 A HA -0.171 4.150 4.320 0.001 0.000 0.217 752 A C 2.110 179.719 177.584 0.041 0.000 1.191 752 A CA 1.327 53.390 52.037 0.043 0.000 0.623 752 A CB -0.498 18.525 19.000 0.039 0.000 0.826 752 A HN 0.114 nan 8.150 nan 0.000 0.444 753 I N -1.547 119.058 120.570 0.057 0.000 2.208 753 I HA -0.247 3.924 4.170 0.001 0.000 0.245 753 I C 2.419 178.560 176.117 0.040 0.000 1.097 753 I CA 1.736 63.069 61.300 0.056 0.000 1.363 753 I CB -1.495 36.549 38.000 0.073 0.000 1.051 753 I HN 0.568 nan 8.210 nan 0.000 0.413 754 Y N 2.489 122.759 120.300 -0.051 0.000 2.242 754 Y HA -0.171 4.379 4.550 0.001 0.000 0.291 754 Y C 2.373 178.205 175.900 -0.113 0.000 1.137 754 Y CA 1.422 59.472 58.100 -0.083 0.000 1.181 754 Y CB -0.341 38.084 38.460 -0.058 0.000 0.989 754 Y HN 0.201 nan 8.280 nan 0.000 0.527 755 N N 0.585 119.194 118.700 -0.151 0.000 2.166 755 N HA -0.173 4.568 4.740 0.001 0.000 0.186 755 N C 1.287 176.631 175.510 -0.276 0.000 1.019 755 N CA 1.436 54.355 53.050 -0.219 0.000 0.856 755 N CB -0.449 37.994 38.487 -0.073 0.000 0.993 755 N HN 0.419 nan 8.380 nan 0.000 0.426 756 N N 0.700 119.269 118.700 -0.218 0.000 2.135 756 N HA 0.030 4.771 4.740 0.001 0.000 0.186 756 N C 1.799 177.001 175.510 -0.512 0.000 1.027 756 N CA 0.750 53.667 53.050 -0.221 0.000 0.849 756 N CB -0.267 38.170 38.487 -0.083 0.000 1.002 756 N HN 0.266 nan 8.380 nan 0.000 0.425 757 M N 0.644 119.850 119.600 -0.658 0.000 2.108 757 M HA -0.152 4.329 4.480 0.001 0.000 0.261 757 M C 2.029 177.607 176.300 -1.204 0.000 1.066 757 M CA 1.360 55.868 55.300 -1.319 0.000 1.107 757 M CB -0.222 32.018 32.600 -0.601 0.000 1.356 757 M HN 0.073 nan 8.290 nan 0.000 0.406 758 K N -0.121 119.784 120.400 -0.825 0.000 2.103 758 K HA -0.206 4.115 4.320 0.001 0.000 0.207 758 K C 2.176 178.524 176.600 -0.420 0.000 1.048 758 K CA 1.294 57.207 56.287 -0.623 0.000 0.930 758 K CB 0.131 32.262 32.500 -0.615 0.000 0.716 758 K HN 0.304 nan 8.250 nan 0.000 0.444 759 Q N -0.109 119.453 119.800 -0.397 0.000 1.965 759 Q HA -0.149 4.192 4.340 0.001 0.000 0.200 759 Q C 2.088 178.032 176.000 -0.093 0.000 0.981 759 Q CA 1.608 57.298 55.803 -0.188 0.000 0.834 759 Q CB -0.603 28.055 28.738 -0.134 0.000 0.900 759 Q HN 0.488 nan 8.270 nan 0.000 0.426 760 F N -0.422 119.488 119.950 -0.066 0.000 2.408 760 F HA 0.007 4.535 4.527 0.001 0.000 0.300 760 F C 1.875 177.676 175.800 0.002 0.000 1.090 760 F CA 0.337 58.336 58.000 -0.003 0.000 1.427 760 F CB -0.833 38.127 39.000 -0.066 0.000 1.070 760 F HN -0.059 nan 8.300 nan 0.000 0.549 761 I N 0.479 121.002 120.570 -0.079 0.000 2.233 761 I HA -0.176 3.995 4.170 0.001 0.000 0.243 761 I C 2.656 178.708 176.117 -0.108 0.000 1.093 761 I CA 1.043 62.308 61.300 -0.057 0.000 1.380 761 I CB -0.359 37.495 38.000 -0.243 0.000 1.067 761 I HN 0.054 nan 8.210 nan 0.000 0.413 762 R N -0.329 120.102 120.500 -0.114 0.000 2.081 762 R HA -0.229 4.112 4.340 0.001 0.000 0.235 762 R C 2.332 178.496 176.300 -0.226 0.000 1.131 762 R CA 1.776 57.786 56.100 -0.150 0.000 0.960 762 R CB -0.610 29.737 30.300 0.079 0.000 0.856 762 R HN 0.312 nan 8.270 nan 0.000 0.436 763 Y N 1.694 121.905 120.300 -0.148 0.000 2.036 763 Y HA -0.247 4.303 4.550 0.001 0.000 0.273 763 Y C 1.950 177.762 175.900 -0.147 0.000 1.135 763 Y CA 1.633 59.662 58.100 -0.117 0.000 1.106 763 Y CB -0.662 37.791 38.460 -0.012 0.000 0.976 763 Y HN -0.078 nan 8.280 nan 0.000 0.483 764 L N -0.185 120.902 121.223 -0.227 0.000 2.081 764 L HA -0.256 4.085 4.340 0.001 0.000 0.212 764 L C 2.631 179.328 176.870 -0.288 0.000 1.080 764 L CA 1.748 56.394 54.840 -0.324 0.000 0.754 764 L CB -0.563 41.437 42.059 -0.098 0.000 0.893 764 L HN 0.384 nan 8.230 nan 0.000 0.433 765 I N -1.313 119.093 120.570 -0.273 0.000 2.617 765 I HA -0.241 3.930 4.170 0.001 0.000 0.256 765 I C 2.698 178.623 176.117 -0.320 0.000 1.167 765 I CA 0.726 61.855 61.300 -0.286 0.000 1.469 765 I CB 0.183 37.943 38.000 -0.400 0.000 1.098 765 I HN 0.170 nan 8.210 nan 0.000 0.436 766 S N -0.545 114.873 115.700 -0.470 0.000 2.368 766 S HA -0.208 4.263 4.470 0.001 0.000 0.224 766 S C 2.270 176.675 174.600 -0.325 0.000 1.029 766 S CA 1.862 59.736 58.200 -0.542 0.000 0.988 766 S CB -0.316 62.401 63.200 -0.805 0.000 0.838 766 S HN 0.575 nan 8.310 nan 0.000 0.462 767 S N 1.549 117.045 115.700 -0.339 0.000 2.353 767 S HA -0.164 4.306 4.470 0.001 0.000 0.222 767 S C 1.659 176.161 174.600 -0.164 0.000 1.035 767 S CA 2.018 60.060 58.200 -0.262 0.000 1.025 767 S CB -0.961 62.027 63.200 -0.354 0.000 0.902 767 S HN 0.711 nan 8.310 nan 0.000 0.440 768 N N 0.458 119.071 118.700 -0.145 0.000 2.258 768 N HA -0.075 4.665 4.740 0.001 0.000 0.187 768 N C 1.538 177.017 175.510 -0.052 0.000 1.012 768 N CA 1.307 54.317 53.050 -0.066 0.000 0.870 768 N CB -0.306 38.175 38.487 -0.009 0.000 0.977 768 N HN 0.298 nan 8.380 nan 0.000 0.434 769 V N -0.096 119.767 119.914 -0.085 0.000 2.270 769 V HA -0.107 4.014 4.120 0.001 0.000 0.245 769 V C 2.410 178.471 176.094 -0.056 0.000 1.043 769 V CA 2.065 64.321 62.300 -0.073 0.000 1.014 769 V CB -1.237 30.516 31.823 -0.117 0.000 0.645 769 V HN 0.404 nan 8.190 nan 0.000 0.447 770 G N -0.246 108.514 108.800 -0.066 0.000 2.422 770 G HA2 -0.223 3.738 3.960 0.001 0.000 0.218 770 G HA3 -0.223 3.738 3.960 0.001 0.000 0.218 770 G C 1.427 176.313 174.900 -0.024 0.000 1.146 770 G CA 0.892 45.968 45.100 -0.040 0.000 0.769 770 G HN 0.607 nan 8.290 nan 0.000 0.547 771 E N 0.127 120.310 120.200 -0.028 0.000 2.077 771 E HA -0.090 4.261 4.350 0.001 0.000 0.193 771 E C 2.699 179.307 176.600 0.012 0.000 0.989 771 E CA 0.996 57.391 56.400 -0.008 0.000 0.800 771 E CB -0.206 29.488 29.700 -0.011 0.000 0.746 771 E HN 0.332 nan 8.360 nan 0.000 0.452 772 V N 1.392 121.310 119.914 0.007 0.000 2.343 772 V HA -0.226 3.894 4.120 0.001 0.000 0.247 772 V C 2.439 178.574 176.094 0.068 0.000 1.051 772 V CA 1.315 63.628 62.300 0.022 0.000 1.036 772 V CB -0.404 31.412 31.823 -0.012 0.000 0.654 772 V HN 0.116 nan 8.190 nan 0.000 0.451 773 V N -0.618 119.329 119.914 0.056 0.000 2.287 773 V HA -0.341 3.780 4.120 0.001 0.000 0.248 773 V C 2.598 178.766 176.094 0.123 0.000 1.053 773 V CA 2.277 64.641 62.300 0.107 0.000 1.027 773 V CB -0.901 30.958 31.823 0.059 0.000 0.646 773 V HN 0.797 nan 8.190 nan 0.000 0.447 774 C N 0.400 119.739 119.300 0.065 0.000 2.413 774 C HA -0.164 4.297 4.460 0.001 0.000 0.277 774 C C 2.592 177.622 174.990 0.065 0.000 1.228 774 C CA 1.017 60.063 59.018 0.047 0.000 1.731 774 C CB -1.046 26.705 27.740 0.019 0.000 2.042 774 C HN 0.528 nan 8.230 nan 0.000 0.468 775 I N 0.373 120.990 120.570 0.078 0.000 2.454 775 I HA -0.089 4.081 4.170 0.001 0.000 0.254 775 I C 2.254 178.449 176.117 0.129 0.000 1.156 775 I CA 1.651 62.999 61.300 0.080 0.000 1.433 775 I CB -1.615 36.425 38.000 0.067 0.000 1.082 775 I HN 0.394 nan 8.210 nan 0.000 0.432 776 F N 1.140 121.091 119.950 0.002 0.000 2.335 776 F HA 0.008 4.535 4.527 0.001 0.000 0.296 776 F C 2.264 178.079 175.800 0.024 0.000 1.091 776 F CA 0.912 58.918 58.000 0.010 0.000 1.399 776 F CB -0.201 38.806 39.000 0.011 0.000 1.067 776 F HN -0.134 nan 8.300 nan 0.000 0.520 777 L N -0.043 121.171 121.223 -0.016 0.000 1.961 777 L HA -0.262 4.079 4.340 0.001 0.000 0.210 777 L C 2.714 179.521 176.870 -0.105 0.000 1.072 777 L CA 2.215 57.000 54.840 -0.092 0.000 0.749 777 L CB -1.203 40.860 42.059 0.007 0.000 0.889 777 L HN 0.288 nan 8.230 nan 0.000 0.432 778 T N -2.477 112.060 114.554 -0.028 0.000 2.803 778 T HA -0.198 4.152 4.350 0.001 0.000 0.269 778 T C 1.805 176.504 174.700 -0.002 0.000 1.052 778 T CA 1.104 63.206 62.100 0.003 0.000 1.136 778 T CB -0.446 68.443 68.868 0.035 0.000 0.864 778 T HN 0.359 nan 8.240 nan 0.000 0.467 779 A N 1.640 124.429 122.820 -0.050 0.000 1.898 779 A HA 0.458 4.779 4.320 0.001 0.000 0.216 779 A C 2.669 180.187 177.584 -0.110 0.000 1.181 779 A CA 1.628 53.640 52.037 -0.043 0.000 0.620 779 A CB -1.102 17.855 19.000 -0.071 0.000 0.819 779 A HN 0.816 nan 8.150 nan 0.000 0.442 780 A N -1.929 120.718 122.820 -0.288 0.000 2.220 780 A HA 0.413 4.734 4.320 0.001 0.000 0.211 780 A C 1.609 179.106 177.584 -0.146 0.000 1.176 780 A CA 0.543 52.419 52.037 -0.270 0.000 0.834 780 A CB -0.143 18.552 19.000 -0.510 0.000 0.868 780 A HN 0.387 nan 8.150 nan 0.000 0.488 781 L N -1.123 120.038 121.223 -0.103 0.000 2.592 781 L HA 0.304 4.645 4.340 0.001 0.000 0.227 781 L C 1.692 178.543 176.870 -0.033 0.000 1.127 781 L CA 1.191 56.019 54.840 -0.019 0.000 0.884 781 L CB -0.128 41.949 42.059 0.030 0.000 1.065 781 L HN 0.554 nan 8.230 nan 0.000 0.457 782 G N -0.538 108.238 108.800 -0.040 0.000 2.220 782 G HA2 -0.318 3.643 3.960 0.001 0.000 0.269 782 G HA3 -0.318 3.643 3.960 0.001 0.000 0.269 782 G C 0.633 175.566 174.900 0.056 0.000 0.977 782 G CA 0.677 45.751 45.100 -0.044 0.000 0.634 782 G HN 0.319 nan 8.290 nan 0.000 0.539 783 L N 2.299 123.537 121.223 0.025 0.000 2.482 783 L HA 0.277 4.617 4.340 0.001 0.000 0.273 783 L C -0.714 176.150 176.870 -0.011 0.000 1.228 783 L CA -1.347 53.497 54.840 0.007 0.000 0.827 783 L CB 0.020 42.096 42.059 0.029 0.000 1.099 783 L HN 0.093 nan 8.230 nan 0.000 0.494 784 P HA 0.062 nan 4.420 nan 0.000 0.277 784 P C -1.075 176.146 177.300 -0.132 0.000 1.271 784 P CA -0.618 62.104 63.100 -0.629 0.000 0.795 784 P CB 0.379 31.420 31.700 -1.098 0.000 1.101 785 E N -0.031 120.139 120.200 -0.050 0.000 2.603 785 E HA 0.071 4.422 4.350 0.001 0.000 0.242 785 E C 1.039 177.644 176.600 0.009 0.000 1.083 785 E CA -0.087 56.330 56.400 0.029 0.000 0.950 785 E CB -0.068 29.668 29.700 0.060 0.000 0.952 785 E HN 0.372 nan 8.360 nan 0.000 0.498 786 A N 4.766 127.595 122.820 0.015 0.000 2.021 786 A HA 0.094 4.415 4.320 0.001 0.000 0.216 786 A C 0.633 178.216 177.584 -0.003 0.000 1.163 786 A CA 0.585 52.623 52.037 0.001 0.000 0.676 786 A CB 0.372 19.379 19.000 0.011 0.000 0.818 786 A HN 0.521 nan 8.150 nan 0.000 0.453 787 L N 0.704 121.938 121.223 0.017 0.000 2.543 787 L HA 0.415 4.756 4.340 0.001 0.000 0.265 787 L C -0.800 176.096 176.870 0.043 0.000 0.945 787 L CA -0.712 54.146 54.840 0.029 0.000 0.869 787 L CB 2.143 44.222 42.059 0.032 0.000 1.294 787 L HN 0.426 nan 8.230 nan 0.000 0.405 788 I N 0.724 121.326 120.570 0.053 0.000 2.713 788 I HA 0.424 4.595 4.170 0.001 0.000 0.300 788 I C -1.473 174.687 176.117 0.073 0.000 1.009 788 I CA -1.776 59.559 61.300 0.058 0.000 1.305 788 I CB 1.060 39.091 38.000 0.053 0.000 1.430 788 I HN 0.398 nan 8.210 nan 0.000 0.546 789 P HA -0.166 nan 4.420 nan 0.000 0.216 789 P C 1.706 179.070 177.300 0.105 0.000 1.153 789 P CA 1.390 64.535 63.100 0.075 0.000 0.858 789 P CB 0.003 31.738 31.700 0.058 0.000 0.789 790 V N 0.428 120.397 119.914 0.091 0.000 2.568 790 V HA -0.247 3.874 4.120 0.001 0.000 0.253 790 V C 2.774 179.022 176.094 0.256 0.000 1.072 790 V CA 1.921 64.281 62.300 0.101 0.000 1.084 790 V CB -1.482 30.322 31.823 -0.032 0.000 0.676 790 V HN 0.188 nan 8.190 nan 0.000 0.469 791 Q N -0.517 119.434 119.800 0.252 0.000 2.123 791 Q HA 0.009 4.350 4.340 0.001 0.000 0.196 791 Q C 2.334 178.510 176.000 0.292 0.000 0.958 791 Q CA 1.083 57.081 55.803 0.324 0.000 0.841 791 Q CB -0.175 28.688 28.738 0.210 0.000 0.915 791 Q HN 0.523 nan 8.270 nan 0.000 0.455 792 L N 0.599 121.937 121.223 0.191 0.000 2.012 792 L HA -0.229 4.112 4.340 0.001 0.000 0.210 792 L C 2.338 179.303 176.870 0.158 0.000 1.073 792 L CA 1.099 56.024 54.840 0.141 0.000 0.748 792 L CB -0.550 41.562 42.059 0.090 0.000 0.891 792 L HN 0.261 nan 8.230 nan 0.000 0.431 793 L N -1.137 120.199 121.223 0.187 0.000 2.079 793 L HA -0.283 4.058 4.340 0.001 0.000 0.210 793 L C 2.497 179.500 176.870 0.220 0.000 1.081 793 L CA 1.476 56.423 54.840 0.178 0.000 0.752 793 L CB -0.627 41.547 42.059 0.191 0.000 0.896 793 L HN 0.564 nan 8.230 nan 0.000 0.433 794 W N 0.310 121.710 121.300 0.166 0.000 2.402 794 W HA -0.122 4.538 4.660 0.001 0.000 0.286 794 W C 1.934 178.498 176.519 0.075 0.000 1.221 794 W CA 1.388 58.828 57.345 0.158 0.000 1.257 794 W CB 0.098 29.685 29.460 0.213 0.000 1.120 794 W HN -0.032 nan 8.180 nan 0.000 0.551 795 V N 1.526 121.545 119.914 0.176 0.000 2.407 795 V HA -0.242 3.879 4.120 0.001 0.000 0.245 795 V C 1.645 177.705 176.094 -0.056 0.000 1.041 795 V CA 1.755 64.085 62.300 0.051 0.000 1.040 795 V CB -0.947 30.930 31.823 0.090 0.000 0.671 795 V HN 0.076 nan 8.190 nan 0.000 0.455 796 N N -0.168 118.513 118.700 -0.032 0.000 2.449 796 N HA 0.155 4.896 4.740 0.001 0.000 0.191 796 N C 1.138 176.597 175.510 -0.085 0.000 1.161 796 N CA 0.645 53.658 53.050 -0.061 0.000 0.863 796 N CB 0.691 39.161 38.487 -0.028 0.000 0.980 796 N HN 0.436 nan 8.380 nan 0.000 0.458 797 L N -1.504 119.637 121.223 -0.138 0.000 2.806 797 L HA 0.201 4.541 4.340 0.001 0.000 0.242 797 L C 1.340 178.043 176.870 -0.278 0.000 1.068 797 L CA 0.152 54.889 54.840 -0.171 0.000 0.923 797 L CB 0.605 42.587 42.059 -0.129 0.000 1.364 797 L HN -0.148 nan 8.230 nan 0.000 0.511 798 V N -1.822 117.818 119.914 -0.456 0.000 2.948 798 V HA -0.011 4.110 4.120 0.001 0.000 0.234 798 V C 2.223 178.104 176.094 -0.356 0.000 1.205 798 V CA 1.286 63.260 62.300 -0.544 0.000 1.234 798 V CB 0.405 31.545 31.823 -1.138 0.000 1.020 798 V HN 0.185 nan 8.190 nan 0.000 0.491 799 T N 0.596 114.939 114.554 -0.352 0.000 2.635 799 T HA -0.216 4.135 4.350 0.001 0.000 0.267 799 T C 1.369 176.039 174.700 -0.051 0.000 1.040 799 T CA 2.129 64.158 62.100 -0.118 0.000 1.156 799 T CB -0.268 68.587 68.868 -0.023 0.000 0.863 799 T HN 0.432 nan 8.240 nan 0.000 0.430 800 D N 0.017 120.385 120.400 -0.052 0.000 2.367 800 D HA 0.164 4.804 4.640 0.001 0.000 0.207 800 D C 2.203 178.527 176.300 0.040 0.000 1.034 800 D CA 0.368 54.400 54.000 0.053 0.000 0.861 800 D CB -0.216 40.549 40.800 -0.057 0.000 0.943 800 D HN 0.440 nan 8.370 nan 0.000 0.515 801 G N 1.855 110.610 108.800 -0.076 0.000 2.480 801 G HA2 -0.203 3.758 3.960 0.001 0.000 0.216 801 G HA3 -0.203 3.758 3.960 0.001 0.000 0.216 801 G C 1.602 176.442 174.900 -0.100 0.000 1.200 801 G CA 0.304 45.337 45.100 -0.111 0.000 0.782 801 G HN 0.128 nan 8.290 nan 0.000 0.554 802 L N 1.534 122.708 121.223 -0.081 0.000 1.989 802 L HA -0.051 4.290 4.340 0.001 0.000 0.211 802 L C 0.510 177.351 176.870 -0.048 0.000 1.071 802 L CA 1.990 56.798 54.840 -0.053 0.000 0.749 802 L CB -2.303 39.741 42.059 -0.025 0.000 0.890 802 L HN 0.164 nan 8.230 nan 0.000 0.431 803 P HA -0.177 nan 4.420 nan 0.000 0.216 803 P C 1.701 178.909 177.300 -0.152 0.000 1.154 803 P CA 2.117 65.168 63.100 -0.082 0.000 0.865 803 P CB -0.008 31.670 31.700 -0.038 0.000 0.789 804 A N -1.074 121.712 122.820 -0.057 0.000 1.858 804 A HA -0.204 4.116 4.320 0.001 0.000 0.216 804 A C 2.274 179.658 177.584 -0.333 0.000 1.190 804 A CA 2.608 54.587 52.037 -0.096 0.000 0.617 804 A CB -1.918 17.037 19.000 -0.075 0.000 0.827 804 A HN 0.161 nan 8.150 nan 0.000 0.443 805 T N 0.426 114.762 114.554 -0.363 0.000 2.720 805 T HA -0.065 4.286 4.350 0.001 0.000 0.268 805 T C 2.177 176.566 174.700 -0.519 0.000 1.037 805 T CA 1.670 63.484 62.100 -0.476 0.000 1.144 805 T CB -0.489 68.206 68.868 -0.288 0.000 0.864 805 T HN 0.616 nan 8.240 nan 0.000 0.444 806 A N 1.144 123.834 122.820 -0.217 0.000 1.933 806 A HA 0.021 4.341 4.320 0.001 0.000 0.218 806 A C 2.271 179.795 177.584 -0.101 0.000 1.175 806 A CA 1.126 53.143 52.037 -0.032 0.000 0.628 806 A CB -0.837 18.221 19.000 0.096 0.000 0.814 806 A HN 0.493 nan 8.150 nan 0.000 0.444 807 L N -0.669 120.477 121.223 -0.128 0.000 2.191 807 L HA -0.120 4.221 4.340 0.001 0.000 0.212 807 L C 2.594 179.445 176.870 -0.033 0.000 1.103 807 L CA 0.793 55.605 54.840 -0.045 0.000 0.769 807 L CB -0.526 41.534 42.059 0.002 0.000 0.908 807 L HN 0.503 nan 8.230 nan 0.000 0.438 808 G N -0.770 107.919 108.800 -0.185 0.000 2.625 808 G HA2 -0.199 3.762 3.960 0.001 0.000 0.214 808 G HA3 -0.199 3.762 3.960 0.001 0.000 0.214 808 G C 0.762 175.469 174.900 -0.321 0.000 1.132 808 G CA 0.125 45.085 45.100 -0.233 0.000 0.782 808 G HN 0.303 nan 8.290 nan 0.000 0.538 809 F N 0.685 120.630 119.950 -0.008 0.000 2.708 809 F HA 0.356 4.883 4.527 0.001 0.000 0.300 809 F C 0.543 176.350 175.800 0.010 0.000 1.118 809 F CA -1.916 56.050 58.000 -0.058 0.000 1.307 809 F CB -0.555 38.320 39.000 -0.208 0.000 0.986 809 F HN -0.133 nan 8.300 nan 0.000 0.522 810 N N 3.554 122.334 118.700 0.132 0.000 2.416 810 N HA 0.064 4.805 4.740 0.001 0.000 0.246 810 N C -2.372 173.195 175.510 0.094 0.000 1.260 810 N CA -0.936 52.172 53.050 0.098 0.000 0.897 810 N CB 0.203 38.709 38.487 0.031 0.000 1.110 810 N HN 0.011 nan 8.380 nan 0.000 0.439 811 P HA 0.126 nan 4.420 nan 0.000 0.271 811 P C -2.381 174.946 177.300 0.044 0.000 1.220 811 P CA -0.762 62.380 63.100 0.070 0.000 0.768 811 P CB -0.000 31.738 31.700 0.063 0.000 0.848 812 P HA 0.184 nan 4.420 nan 0.000 0.274 812 P C -0.307 177.007 177.300 0.023 0.000 1.231 812 P CA -0.084 63.034 63.100 0.030 0.000 0.790 812 P CB 0.896 32.616 31.700 0.034 0.000 0.951 813 D N 0.819 121.228 120.400 0.016 0.000 2.360 813 D HA 0.094 4.735 4.640 0.001 0.000 0.242 813 D C 1.579 177.889 176.300 0.016 0.000 1.184 813 D CA -0.225 53.782 54.000 0.013 0.000 0.930 813 D CB 1.058 41.863 40.800 0.009 0.000 1.161 813 D HN 0.280 nan 8.370 nan 0.000 0.447 814 L N 0.313 121.545 121.223 0.014 0.000 2.127 814 L HA -0.072 4.269 4.340 0.001 0.000 0.203 814 L C 1.669 178.547 176.870 0.013 0.000 1.080 814 L CA 0.648 55.497 54.840 0.014 0.000 0.768 814 L CB -0.257 41.810 42.059 0.014 0.000 0.924 814 L HN 0.407 nan 8.230 nan 0.000 0.444 815 D N 0.479 120.885 120.400 0.011 0.000 2.323 815 D HA -0.115 4.526 4.640 0.001 0.000 0.239 815 D C 1.804 178.110 176.300 0.011 0.000 1.129 815 D CA 0.138 54.144 54.000 0.010 0.000 0.865 815 D CB -0.109 40.695 40.800 0.007 0.000 0.913 815 D HN 0.400 nan 8.370 nan 0.000 0.517 816 I N -0.220 120.358 120.570 0.014 0.000 2.264 816 I HA -0.241 3.930 4.170 0.001 0.000 0.248 816 I C 1.373 177.500 176.117 0.016 0.000 1.111 816 I CA 1.020 62.330 61.300 0.017 0.000 1.382 816 I CB 0.148 38.160 38.000 0.021 0.000 1.060 816 I HN -0.055 nan 8.210 nan 0.000 0.418 817 M N -0.340 119.269 119.600 0.014 0.000 2.493 817 M HA 0.096 4.577 4.480 0.001 0.000 0.244 817 M C 0.065 176.371 176.300 0.011 0.000 1.182 817 M CA 0.676 55.983 55.300 0.012 0.000 0.981 817 M CB -0.733 31.874 32.600 0.012 0.000 1.551 817 M HN 0.094 nan 8.290 nan 0.000 0.476 818 D N -0.033 120.373 120.400 0.010 0.000 2.469 818 D HA 0.191 4.832 4.640 0.001 0.000 0.215 818 D C 0.124 176.429 176.300 0.007 0.000 1.154 818 D CA 0.135 54.140 54.000 0.008 0.000 0.832 818 D CB 0.915 41.719 40.800 0.007 0.000 1.008 818 D HN 0.166 nan 8.370 nan 0.000 0.506 819 R N 1.032 121.538 120.500 0.009 0.000 2.732 819 R HA 0.495 4.836 4.340 0.001 0.000 0.278 819 R C -2.401 173.904 176.300 0.008 0.000 0.976 819 R CA -1.749 54.356 56.100 0.009 0.000 0.963 819 R CB 1.499 31.806 30.300 0.012 0.000 1.150 819 R HN -0.040 nan 8.270 nan 0.000 0.478 820 P HA 0.187 nan 4.420 nan 0.000 0.274 820 P C -2.553 174.750 177.300 0.005 0.000 1.256 820 P CA -1.429 61.673 63.100 0.005 0.000 0.795 820 P CB -0.152 31.550 31.700 0.004 0.000 1.038 821 P HA 0.156 nan 4.420 nan 0.000 0.269 821 P C 0.102 177.399 177.300 -0.005 0.000 1.209 821 P CA 0.166 63.261 63.100 -0.007 0.000 0.776 821 P CB 0.303 31.995 31.700 -0.014 0.000 0.876 822 R N 1.167 121.660 120.500 -0.011 0.000 2.539 822 R HA 0.234 4.575 4.340 0.001 0.000 0.275 822 R C 0.589 176.879 176.300 -0.018 0.000 1.077 822 R CA -0.264 55.835 56.100 -0.002 0.000 1.097 822 R CB 0.145 30.452 30.300 0.012 0.000 1.018 822 R HN 0.425 nan 8.270 nan 0.000 0.483 823 S N 2.180 117.880 115.700 -0.000 0.000 2.549 823 S HA 0.108 4.579 4.470 0.001 0.000 0.283 823 S C -1.451 173.138 174.600 -0.018 0.000 1.320 823 S CA -1.169 57.030 58.200 -0.001 0.000 1.058 823 S CB 0.592 63.800 63.200 0.014 0.000 0.882 823 S HN 0.281 nan 8.310 nan 0.000 0.498 824 P HA 0.013 nan 4.420 nan 0.000 0.222 824 P C 0.665 177.954 177.300 -0.018 0.000 1.147 824 P CA 0.857 63.931 63.100 -0.043 0.000 0.790 824 P CB 0.185 31.866 31.700 -0.032 0.000 0.780 825 K N -0.210 120.192 120.400 0.003 0.000 2.404 825 K HA 0.041 4.362 4.320 0.001 0.000 0.194 825 K C 0.535 177.155 176.600 0.032 0.000 1.023 825 K CA -0.006 56.292 56.287 0.018 0.000 1.094 825 K CB -0.294 32.217 32.500 0.018 0.000 0.841 825 K HN 0.355 nan 8.250 nan 0.000 0.523 826 E N 4.054 124.276 120.200 0.036 0.000 2.383 826 E HA -0.006 4.345 4.350 0.001 0.000 0.257 826 E C -2.034 174.614 176.600 0.079 0.000 1.079 826 E CA -1.384 55.051 56.400 0.058 0.000 0.934 826 E CB 0.417 30.159 29.700 0.071 0.000 0.978 826 E HN -0.024 nan 8.360 nan 0.000 0.462 827 P HA -0.030 nan 4.420 nan 0.000 0.271 827 P C 0.638 177.991 177.300 0.089 0.000 1.216 827 P CA 0.018 63.167 63.100 0.081 0.000 0.776 827 P CB 1.045 32.790 31.700 0.075 0.000 0.881 828 L N 1.913 123.183 121.223 0.079 0.000 2.093 828 L HA 0.040 4.381 4.340 0.001 0.000 0.208 828 L C 1.135 178.053 176.870 0.079 0.000 1.085 828 L CA 1.310 56.181 54.840 0.051 0.000 0.755 828 L CB -0.277 41.778 42.059 -0.006 0.000 0.904 828 L HN 0.350 nan 8.230 nan 0.000 0.435 829 I N -0.984 119.658 120.570 0.120 0.000 2.468 829 I HA 0.312 4.483 4.170 0.001 0.000 0.285 829 I C -0.451 175.809 176.117 0.238 0.000 1.039 829 I CA -0.064 61.353 61.300 0.194 0.000 1.074 829 I CB 1.901 40.039 38.000 0.230 0.000 1.228 829 I HN -0.128 nan 8.210 nan 0.000 0.436 830 S N 3.328 119.161 115.700 0.222 0.000 2.587 830 S HA 0.817 5.288 4.470 0.001 0.000 0.269 830 S C -0.023 174.694 174.600 0.195 0.000 1.154 830 S CA 0.376 58.690 58.200 0.190 0.000 0.824 830 S CB 1.496 64.755 63.200 0.098 0.000 1.118 830 S HN 1.247 nan 8.310 nan 0.000 0.462 831 G N 3.393 112.286 108.800 0.155 0.000 2.550 831 G HA2 -0.342 3.619 3.960 0.001 0.000 0.277 831 G HA3 -0.342 3.619 3.960 0.001 0.000 0.277 831 G C 1.035 176.126 174.900 0.319 0.000 1.190 831 G CA 0.564 45.783 45.100 0.198 0.000 0.971 831 G HN 1.111 nan 8.290 nan 0.000 0.559 832 W N 0.132 121.521 121.300 0.148 0.000 2.350 832 W HA -0.020 4.640 4.660 0.001 0.000 0.289 832 W C 2.244 178.856 176.519 0.155 0.000 1.215 832 W CA 2.044 59.502 57.345 0.188 0.000 1.236 832 W CB -0.203 29.332 29.460 0.125 0.000 1.130 832 W HN 0.463 nan 8.180 nan 0.000 0.541 833 L N 0.521 121.812 121.223 0.113 0.000 2.291 833 L HA -0.087 4.254 4.340 0.001 0.000 0.214 833 L C 2.216 179.038 176.870 -0.079 0.000 1.120 833 L CA 1.618 56.386 54.840 -0.120 0.000 0.799 833 L CB -1.277 40.762 42.059 -0.034 0.000 0.925 833 L HN -0.035 nan 8.230 nan 0.000 0.446 834 F N -0.830 119.110 119.950 -0.016 0.000 2.074 834 F HA -0.221 4.307 4.527 0.001 0.000 0.293 834 F C 2.289 178.093 175.800 0.008 0.000 1.116 834 F CA 1.821 59.854 58.000 0.054 0.000 1.212 834 F CB -0.612 38.443 39.000 0.090 0.000 0.998 834 F HN 0.174 nan 8.300 nan 0.000 0.471 835 F N 1.638 121.616 119.950 0.047 0.000 2.126 835 F HA -0.178 4.350 4.527 0.001 0.000 0.299 835 F C 2.652 178.221 175.800 -0.384 0.000 1.096 835 F CA 2.182 60.092 58.000 -0.150 0.000 1.255 835 F CB -0.884 38.009 39.000 -0.178 0.000 0.997 835 F HN -0.004 nan 8.300 nan 0.000 0.479 836 R N -0.720 119.287 120.500 -0.822 0.000 2.094 836 R HA -0.251 4.090 4.340 0.001 0.000 0.239 836 R C 2.399 178.371 176.300 -0.547 0.000 1.137 836 R CA 2.355 57.908 56.100 -0.913 0.000 0.943 836 R CB -1.149 28.635 30.300 -0.860 0.000 0.850 836 R HN 0.487 nan 8.270 nan 0.000 0.433 837 Y N -0.527 119.538 120.300 -0.392 0.000 2.421 837 Y HA -0.189 4.361 4.550 0.001 0.000 0.292 837 Y C 2.367 178.054 175.900 -0.355 0.000 1.136 837 Y CA 0.460 58.376 58.100 -0.307 0.000 1.255 837 Y CB 0.076 38.389 38.460 -0.244 0.000 0.991 837 Y HN 0.237 nan 8.280 nan 0.000 0.552 838 M N 0.024 119.438 119.600 -0.311 0.000 2.175 838 M HA -0.115 4.365 4.480 0.001 0.000 0.264 838 M C 2.190 178.336 176.300 -0.256 0.000 1.063 838 M CA 1.835 56.941 55.300 -0.325 0.000 1.119 838 M CB -0.311 32.101 32.600 -0.314 0.000 1.377 838 M HN 0.141 nan 8.290 nan 0.000 0.415 839 A N 0.121 122.697 122.820 -0.407 0.000 1.872 839 A HA -0.034 4.287 4.320 0.001 0.000 0.214 839 A C 1.943 179.429 177.584 -0.162 0.000 1.187 839 A CA 1.338 53.171 52.037 -0.340 0.000 0.614 839 A CB -0.839 17.804 19.000 -0.594 0.000 0.826 839 A HN 0.491 nan 8.150 nan 0.000 0.442 840 I N 0.448 120.930 120.570 -0.147 0.000 2.335 840 I HA -0.204 3.967 4.170 0.001 0.000 0.251 840 I C 2.526 178.661 176.117 0.029 0.000 1.129 840 I CA 1.493 62.782 61.300 -0.020 0.000 1.402 840 I CB -1.983 36.042 38.000 0.041 0.000 1.069 840 I HN 0.356 nan 8.210 nan 0.000 0.424 841 G N 0.725 109.508 108.800 -0.029 0.000 2.394 841 G HA2 -0.120 3.841 3.960 0.001 0.000 0.214 841 G HA3 -0.120 3.841 3.960 0.001 0.000 0.214 841 G C 1.762 176.663 174.900 0.001 0.000 1.176 841 G CA 0.729 45.810 45.100 -0.032 0.000 0.786 841 G HN 0.451 nan 8.290 nan 0.000 0.533 842 G N -0.158 108.646 108.800 0.007 0.000 2.418 842 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 842 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 842 G C 1.617 176.559 174.900 0.070 0.000 1.158 842 G CA 1.144 46.266 45.100 0.037 0.000 0.771 842 G HN 0.384 nan 8.290 nan 0.000 0.545 843 Y N 1.480 121.756 120.300 -0.041 0.000 2.070 843 Y HA -0.183 4.368 4.550 0.001 0.000 0.280 843 Y C 2.909 178.795 175.900 -0.024 0.000 1.148 843 Y CA 1.756 59.837 58.100 -0.033 0.000 1.125 843 Y CB -0.569 37.865 38.460 -0.043 0.000 0.975 843 Y HN 0.032 nan 8.280 nan 0.000 0.492 844 V N 0.124 120.023 119.914 -0.025 0.000 2.568 844 V HA -0.282 3.839 4.120 0.001 0.000 0.253 844 V C 2.528 178.553 176.094 -0.114 0.000 1.072 844 V CA 1.839 64.072 62.300 -0.112 0.000 1.084 844 V CB -1.601 30.209 31.823 -0.022 0.000 0.676 844 V HN 0.646 nan 8.190 nan 0.000 0.469 845 G N -0.727 108.036 108.800 -0.061 0.000 2.421 845 G HA2 -0.025 3.935 3.960 0.001 0.000 0.217 845 G HA3 -0.025 3.935 3.960 0.001 0.000 0.217 845 G C 1.598 176.469 174.900 -0.048 0.000 1.143 845 G CA 0.878 45.959 45.100 -0.031 0.000 0.784 845 G HN 0.612 nan 8.290 nan 0.000 0.541 846 A N 0.547 123.313 122.820 -0.090 0.000 2.044 846 A HA 0.622 4.943 4.320 0.001 0.000 0.213 846 A C 2.596 180.083 177.584 -0.163 0.000 1.169 846 A CA 1.381 53.364 52.037 -0.090 0.000 0.724 846 A CB -0.286 18.678 19.000 -0.060 0.000 0.840 846 A HN 0.522 nan 8.150 nan 0.000 0.463 847 A N 0.154 122.787 122.820 -0.311 0.000 1.968 847 A HA -0.032 4.288 4.320 0.001 0.000 0.217 847 A C 2.372 179.841 177.584 -0.191 0.000 1.169 847 A CA 2.297 54.122 52.037 -0.352 0.000 0.638 847 A CB -1.021 17.618 19.000 -0.602 0.000 0.812 847 A HN 0.622 nan 8.150 nan 0.000 0.446 848 T N -2.951 111.519 114.554 -0.141 0.000 2.814 848 T HA -0.042 4.309 4.350 0.001 0.000 0.254 848 T C 1.647 176.324 174.700 -0.039 0.000 1.037 848 T CA 1.297 63.349 62.100 -0.081 0.000 1.143 848 T CB -0.793 68.040 68.868 -0.058 0.000 0.866 848 T HN 0.040 nan 8.240 nan 0.000 0.431 849 V N 1.886 121.786 119.914 -0.024 0.000 2.759 849 V HA 0.066 4.187 4.120 0.001 0.000 0.256 849 V C 2.872 178.994 176.094 0.046 0.000 1.080 849 V CA 1.602 63.912 62.300 0.017 0.000 1.101 849 V CB -1.314 30.523 31.823 0.023 0.000 0.698 849 V HN 0.714 nan 8.190 nan 0.000 0.477 850 G N -0.226 108.583 108.800 0.015 0.000 2.439 850 G HA2 -0.062 3.899 3.960 0.001 0.000 0.212 850 G HA3 -0.062 3.899 3.960 0.001 0.000 0.212 850 G C 1.707 176.670 174.900 0.104 0.000 1.199 850 G CA 0.676 45.806 45.100 0.050 0.000 0.807 850 G HN 0.558 nan 8.290 nan 0.000 0.537 851 A N 0.789 123.624 122.820 0.026 0.000 2.131 851 A HA 0.304 4.625 4.320 0.001 0.000 0.220 851 A C 2.554 180.240 177.584 0.170 0.000 1.158 851 A CA 2.124 54.193 52.037 0.052 0.000 0.665 851 A CB -0.397 18.555 19.000 -0.081 0.000 0.795 851 A HN 0.683 nan 8.150 nan 0.000 0.460 852 A N -0.598 122.287 122.820 0.108 0.000 1.911 852 A HA 0.418 4.739 4.320 0.001 0.000 0.212 852 A C 2.384 180.053 177.584 0.142 0.000 1.189 852 A CA 1.294 53.366 52.037 0.057 0.000 0.639 852 A CB -0.766 18.239 19.000 0.008 0.000 0.839 852 A HN 0.932 nan 8.150 nan 0.000 0.449 853 A N -1.561 121.403 122.820 0.239 0.000 2.014 853 A HA -0.041 4.279 4.320 0.001 0.000 0.218 853 A C 1.869 179.688 177.584 0.392 0.000 1.163 853 A CA 1.266 53.511 52.037 0.347 0.000 0.652 853 A CB -0.782 18.396 19.000 0.298 0.000 0.808 853 A HN 0.824 nan 8.150 nan 0.000 0.449 854 W N -0.496 120.915 121.300 0.185 0.000 2.333 854 W HA -0.225 4.435 4.660 0.001 0.000 0.316 854 W C 1.958 178.620 176.519 0.238 0.000 1.215 854 W CA 1.942 59.406 57.345 0.198 0.000 1.278 854 W CB -0.658 28.860 29.460 0.097 0.000 1.154 854 W HN 0.465 nan 8.180 nan 0.000 0.486 855 W N 0.002 121.315 121.300 0.022 0.000 2.342 855 W HA -0.213 4.448 4.660 0.001 0.000 0.297 855 W C 2.061 178.438 176.519 -0.237 0.000 1.213 855 W CA 2.303 59.460 57.345 -0.314 0.000 1.251 855 W CB -0.897 28.455 29.460 -0.179 0.000 1.136 855 W HN -0.089 nan 8.180 nan 0.000 0.526 856 F N -0.744 119.277 119.950 0.118 0.000 2.699 856 F HA -0.101 4.427 4.527 0.001 0.000 0.298 856 F C 1.926 177.637 175.800 -0.149 0.000 1.154 856 F CA 0.656 58.661 58.000 0.007 0.000 1.457 856 F CB 0.039 39.150 39.000 0.186 0.000 1.106 856 F HN -0.059 nan 8.300 nan 0.000 0.585 857 M N -3.044 116.543 119.600 -0.021 0.000 2.330 857 M HA 0.064 4.545 4.480 0.001 0.000 0.207 857 M C 0.420 176.456 176.300 -0.439 0.000 1.622 857 M CA 0.493 55.699 55.300 -0.157 0.000 1.045 857 M CB 0.117 32.744 32.600 0.045 0.000 1.461 857 M HN -0.149 nan 8.290 nan 0.000 0.564 858 Y N 0.812 120.821 120.300 -0.485 0.000 2.524 858 Y HA 0.573 5.123 4.550 0.001 0.000 0.266 858 Y C 0.853 176.266 175.900 -0.811 0.000 1.180 858 Y CA -0.788 57.003 58.100 -0.514 0.000 1.244 858 Y CB -0.282 38.017 38.460 -0.270 0.000 1.125 858 Y HN 0.069 nan 8.280 nan 0.000 0.524 859 A N 0.375 122.600 122.820 -0.992 0.000 2.293 859 A HA 0.385 4.706 4.320 0.001 0.000 0.302 859 A C 0.324 177.557 177.584 -0.585 0.000 1.119 859 A CA -0.597 50.826 52.037 -1.024 0.000 0.823 859 A CB 0.368 18.567 19.000 -1.336 0.000 1.097 859 A HN 0.423 nan 8.150 nan 0.000 0.491 860 E N 1.013 121.006 120.200 -0.345 0.000 2.325 860 E HA 0.157 4.508 4.350 0.001 0.000 0.295 860 E C -0.818 175.654 176.600 -0.214 0.000 1.461 860 E CA -0.019 56.249 56.400 -0.219 0.000 1.698 860 E CB 0.131 29.780 29.700 -0.086 0.000 1.496 860 E HN 0.594 nan 8.360 nan 0.000 0.474 861 D N -0.305 119.865 120.400 -0.384 0.000 2.337 861 D HA 0.076 4.717 4.640 0.001 0.000 0.349 861 D C 0.669 176.689 176.300 -0.468 0.000 1.123 861 D CA 0.114 53.937 54.000 -0.295 0.000 0.887 861 D CB 1.506 42.264 40.800 -0.070 0.000 1.396 861 D HN 0.314 nan 8.370 nan 0.000 0.510 862 G N 2.430 110.792 108.800 -0.729 0.000 4.357 862 G HA2 0.239 4.199 3.960 0.001 0.000 0.234 862 G HA3 0.239 4.199 3.960 0.001 0.000 0.234 862 G C -3.016 171.563 174.900 -0.535 0.000 3.600 862 G CA -0.581 44.137 45.100 -0.635 0.000 0.615 862 G HN -0.176 nan 8.290 nan 0.000 0.209 863 P HA 0.389 nan 4.420 nan 0.000 0.267 863 P C 0.854 178.032 177.300 -0.203 0.000 1.201 863 P CA 0.776 63.691 63.100 -0.309 0.000 0.775 863 P CB 1.374 32.921 31.700 -0.256 0.000 0.854 864 G N -0.335 108.374 108.800 -0.151 0.000 3.021 864 G HA2 0.430 4.390 3.960 0.001 0.000 0.290 864 G HA3 0.430 4.390 3.960 0.001 0.000 0.290 864 G C -1.107 173.769 174.900 -0.040 0.000 1.291 864 G CA -0.656 44.399 45.100 -0.075 0.000 0.834 864 G HN 0.316 nan 8.290 nan 0.000 0.564 865 V N 1.821 121.749 119.914 0.023 0.000 2.409 865 V HA 0.145 4.266 4.120 0.001 0.000 0.270 865 V C 1.926 178.078 176.094 0.098 0.000 1.019 865 V CA 0.871 63.214 62.300 0.070 0.000 1.066 865 V CB 0.123 32.003 31.823 0.095 0.000 1.021 865 V HN 0.956 nan 8.190 nan 0.000 0.476 866 T N 0.879 115.484 114.554 0.086 0.000 3.155 866 T HA -0.097 4.253 4.350 0.001 0.000 0.264 866 T C 0.826 175.589 174.700 0.105 0.000 1.160 866 T CA 0.854 62.972 62.100 0.030 0.000 1.075 866 T CB -0.430 68.382 68.868 -0.093 0.000 0.921 866 T HN 0.560 nan 8.240 nan 0.000 0.533 867 Y N 0.649 120.978 120.300 0.049 0.000 2.625 867 Y HA 0.323 4.874 4.550 0.001 0.000 0.285 867 Y C 0.883 176.876 175.900 0.156 0.000 1.168 867 Y CA -1.162 56.983 58.100 0.076 0.000 1.250 867 Y CB -0.610 37.865 38.460 0.025 0.000 1.130 867 Y HN 0.503 nan 8.280 nan 0.000 0.526 868 H N -0.367 118.777 119.070 0.122 0.000 2.862 868 H HA -0.187 4.370 4.556 0.001 0.000 0.290 868 H C 0.995 176.365 175.328 0.069 0.000 1.211 868 H CA 0.593 56.691 56.048 0.083 0.000 1.140 868 H CB -1.042 28.752 29.762 0.053 0.000 1.341 868 H HN 0.280 nan 8.280 nan 0.000 0.392 869 Q N 0.030 119.868 119.800 0.063 0.000 2.365 869 Q HA 0.083 4.424 4.340 0.001 0.000 0.203 869 Q C 2.125 178.113 176.000 -0.020 0.000 0.929 869 Q CA 0.552 56.399 55.803 0.073 0.000 0.948 869 Q CB 0.074 28.872 28.738 0.099 0.000 1.043 869 Q HN 0.594 nan 8.270 nan 0.000 0.505 870 L N 0.585 121.738 121.223 -0.117 0.000 2.353 870 L HA -0.082 4.259 4.340 0.001 0.000 0.220 870 L C 1.574 178.311 176.870 -0.222 0.000 1.133 870 L CA 1.574 56.336 54.840 -0.129 0.000 0.798 870 L CB -0.515 41.486 42.059 -0.097 0.000 0.922 870 L HN 0.024 nan 8.230 nan 0.000 0.445 871 T N -1.225 113.084 114.554 -0.409 0.000 2.929 871 T HA -0.155 4.196 4.350 0.001 0.000 0.271 871 T C 0.675 175.030 174.700 -0.575 0.000 1.085 871 T CA 1.747 63.541 62.100 -0.510 0.000 1.125 871 T CB -0.569 67.863 68.868 -0.727 0.000 0.874 871 T HN 0.588 nan 8.240 nan 0.000 0.494 872 H N 0.210 119.167 119.070 -0.190 0.000 2.503 872 H HA 0.302 4.858 4.556 0.001 0.000 0.296 872 H C 1.170 176.264 175.328 -0.390 0.000 1.097 872 H CA -0.677 55.207 56.048 -0.273 0.000 1.055 872 H CB -0.678 28.979 29.762 -0.176 0.000 1.580 872 H HN 0.459 nan 8.280 nan 0.000 0.546 873 F N -0.836 118.796 119.950 -0.530 0.000 2.373 873 F HA -0.169 4.359 4.527 0.001 0.000 0.300 873 F C 1.627 177.059 175.800 -0.613 0.000 1.080 873 F CA 0.701 58.066 58.000 -1.058 0.000 1.417 873 F CB -0.263 37.555 39.000 -1.970 0.000 1.070 873 F HN 0.138 nan 8.300 nan 0.000 0.546 874 M N 0.718 119.588 119.600 -1.216 0.000 2.156 874 M HA -0.096 4.385 4.480 0.001 0.000 0.264 874 M C 1.224 177.284 176.300 -0.400 0.000 1.067 874 M CA 1.299 56.087 55.300 -0.853 0.000 1.131 874 M CB -1.130 30.972 32.600 -0.831 0.000 1.368 874 M HN 0.316 nan 8.290 nan 0.000 0.416 875 Q N -0.660 118.952 119.800 -0.314 0.000 2.945 875 Q HA 0.011 4.351 4.340 0.001 0.000 0.323 875 Q C 1.202 177.109 176.000 -0.156 0.000 1.188 875 Q CA -0.390 55.278 55.803 -0.226 0.000 0.929 875 Q CB -0.014 28.581 28.738 -0.239 0.000 1.531 875 Q HN 0.422 nan 8.270 nan 0.000 0.444 876 c N -1.070 117.476 118.600 -0.090 0.000 2.508 876 c HA 0.010 4.581 4.570 0.001 0.000 0.303 876 c C 2.399 176.490 174.090 0.000 0.000 1.496 876 c CA 0.675 57.001 56.329 -0.006 0.000 2.041 876 c CB 0.075 42.685 42.510 0.166 0.000 2.011 876 c HN 0.553 nan 8.230 nan 0.000 0.655 877 T N 0.762 115.334 114.554 0.030 0.000 2.833 877 T HA -0.145 4.206 4.350 0.001 0.000 0.269 877 T C 1.484 176.211 174.700 0.045 0.000 1.054 877 T CA 2.020 64.158 62.100 0.064 0.000 1.135 877 T CB -0.271 68.630 68.868 0.054 0.000 0.869 877 T HN 0.662 nan 8.240 nan 0.000 0.466 878 E N 1.704 121.893 120.200 -0.018 0.000 2.008 878 E HA -0.078 4.273 4.350 0.001 0.000 0.191 878 E C 0.303 176.901 176.600 -0.002 0.000 0.986 878 E CA 1.027 57.412 56.400 -0.026 0.000 0.807 878 E CB 0.106 29.746 29.700 -0.100 0.000 0.766 878 E HN 0.249 nan 8.360 nan 0.000 0.450 879 D N 0.058 120.417 120.400 -0.068 0.000 2.590 879 D HA 0.027 4.668 4.640 0.001 0.000 0.280 879 D C 0.404 176.742 176.300 0.064 0.000 1.197 879 D CA -0.143 53.837 54.000 -0.034 0.000 0.967 879 D CB 0.468 41.082 40.800 -0.310 0.000 0.987 879 D HN 0.285 nan 8.370 nan 0.000 0.508 880 H N 2.694 121.778 119.070 0.023 0.000 2.290 880 H HA -0.064 4.492 4.556 0.001 0.000 0.298 880 H C -0.956 174.399 175.328 0.044 0.000 1.087 880 H CA 1.214 57.286 56.048 0.039 0.000 1.291 880 H CB -0.475 29.302 29.762 0.025 0.000 1.369 880 H HN 0.214 nan 8.280 nan 0.000 0.492 881 P HA -0.093 nan 4.420 nan 0.000 0.236 881 P C 0.664 177.951 177.300 -0.022 0.000 1.172 881 P CA 0.815 63.989 63.100 0.124 0.000 0.759 881 P CB -0.151 31.570 31.700 0.036 0.000 0.843 882 H N 0.671 119.671 119.070 -0.117 0.000 2.780 882 H HA -0.008 4.548 4.556 0.001 0.000 0.301 882 H C 0.442 175.381 175.328 -0.649 0.000 1.020 882 H CA 1.849 57.722 56.048 -0.292 0.000 1.110 882 H CB -0.503 29.279 29.762 0.033 0.000 1.504 882 H HN 0.067 nan 8.280 nan 0.000 0.728 883 F N -0.152 119.871 119.950 0.122 0.000 2.677 883 F HA 0.243 4.771 4.527 0.001 0.000 0.388 883 F C 0.687 176.498 175.800 0.019 0.000 1.400 883 F CA -0.385 57.634 58.000 0.033 0.000 1.162 883 F CB 0.641 39.650 39.000 0.015 0.000 1.135 883 F HN 0.121 nan 8.300 nan 0.000 0.516 884 E N 0.438 120.691 120.200 0.087 0.000 2.799 884 E HA 0.461 4.812 4.350 0.001 0.000 0.298 884 E C 1.669 178.258 176.600 -0.019 0.000 0.805 884 E CA 0.871 57.259 56.400 -0.021 0.000 1.265 884 E CB -0.638 28.903 29.700 -0.265 0.000 2.052 884 E HN 0.171 nan 8.360 nan 0.000 0.541 885 G N 1.166 109.966 108.800 0.000 0.000 2.130 885 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 885 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 885 G C 0.096 175.034 174.900 0.062 0.000 0.999 885 G CA 0.569 45.723 45.100 0.090 0.000 0.686 885 G HN 0.260 nan 8.290 nan 0.000 0.515 886 L N -4.558 116.679 121.223 0.023 0.000 2.892 886 L HA 0.755 5.095 4.340 0.001 0.000 0.269 886 L C -0.848 176.021 176.870 -0.002 0.000 1.058 886 L CA -1.437 53.404 54.840 0.001 0.000 0.923 886 L CB 0.934 42.946 42.059 -0.079 0.000 1.518 886 L HN -0.031 nan 8.230 nan 0.000 0.402 887 D N 0.283 120.685 120.400 0.004 0.000 2.458 887 D HA 0.104 4.745 4.640 0.001 0.000 0.243 887 D C 0.650 176.904 176.300 -0.076 0.000 1.146 887 D CA -0.002 54.007 54.000 0.016 0.000 0.877 887 D CB 1.577 42.384 40.800 0.012 0.000 1.176 887 D HN 0.711 nan 8.370 nan 0.000 0.461 888 c N 2.905 121.496 118.600 -0.014 0.000 2.522 888 c HA -0.007 4.564 4.570 0.001 0.000 0.271 888 c C 2.052 176.174 174.090 0.053 0.000 1.425 888 c CA -0.160 56.177 56.329 0.014 0.000 1.751 888 c CB -0.978 41.614 42.510 0.137 0.000 1.775 888 c HN 0.696 nan 8.230 nan 0.000 0.557 889 E N 0.671 120.888 120.200 0.028 0.000 2.502 889 E HA -0.059 4.292 4.350 0.001 0.000 0.194 889 E C 1.715 178.337 176.600 0.036 0.000 1.062 889 E CA 0.098 56.537 56.400 0.065 0.000 0.867 889 E CB 0.001 29.735 29.700 0.057 0.000 0.888 889 E HN 0.582 nan 8.360 nan 0.000 0.510 890 I N 0.065 120.574 120.570 -0.100 0.000 2.676 890 I HA -0.148 4.023 4.170 0.001 0.000 0.259 890 I C 0.910 177.069 176.117 0.070 0.000 1.194 890 I CA 0.973 62.231 61.300 -0.070 0.000 1.473 890 I CB -0.069 37.774 38.000 -0.262 0.000 1.096 890 I HN 0.094 nan 8.210 nan 0.000 0.443 891 F N 0.711 120.758 119.950 0.161 0.000 2.234 891 F HA 0.056 4.584 4.527 0.001 0.000 0.296 891 F C 2.163 178.093 175.800 0.217 0.000 1.089 891 F CA 0.828 58.912 58.000 0.140 0.000 1.343 891 F CB -0.778 38.175 39.000 -0.079 0.000 1.040 891 F HN 0.077 nan 8.300 nan 0.000 0.498 892 E N 0.623 121.000 120.200 0.295 0.000 2.416 892 E HA 0.208 4.559 4.350 0.001 0.000 0.189 892 E C 0.364 177.024 176.600 0.100 0.000 1.091 892 E CA -0.242 56.262 56.400 0.172 0.000 0.889 892 E CB -0.092 29.693 29.700 0.142 0.000 1.015 892 E HN 0.181 nan 8.360 nan 0.000 0.479 893 A N 2.702 125.593 122.820 0.118 0.000 2.450 893 A HA 0.130 4.451 4.320 0.001 0.000 0.255 893 A C -1.485 175.996 177.584 -0.172 0.000 1.096 893 A CA -1.109 50.919 52.037 -0.014 0.000 0.778 893 A CB 0.149 19.165 19.000 0.026 0.000 1.031 893 A HN 0.001 nan 8.150 nan 0.000 0.494 894 P HA 0.002 nan 4.420 nan 0.000 0.249 894 P C 0.201 177.283 177.300 -0.363 0.000 1.241 894 P CA 0.604 63.576 63.100 -0.212 0.000 0.781 894 P CB 0.462 32.083 31.700 -0.131 0.000 1.088 895 E N 1.315 121.142 120.200 -0.622 0.000 2.042 895 E HA -0.030 4.321 4.350 0.001 0.000 0.189 895 E C -0.475 175.504 176.600 -1.034 0.000 0.974 895 E CA 1.252 57.096 56.400 -0.927 0.000 0.806 895 E CB -1.749 27.063 29.700 -1.480 0.000 0.769 895 E HN 0.372 nan 8.360 nan 0.000 0.451 896 P HA -0.161 nan 4.420 nan 0.000 0.216 896 P C 1.356 178.418 177.300 -0.397 0.000 1.153 896 P CA 1.431 64.082 63.100 -0.749 0.000 0.848 896 P CB 0.030 31.202 31.700 -0.880 0.000 0.787 897 M N -0.675 118.727 119.600 -0.330 0.000 2.117 897 M HA -0.100 4.381 4.480 0.001 0.000 0.262 897 M C 2.093 178.299 176.300 -0.157 0.000 1.065 897 M CA 2.136 57.329 55.300 -0.178 0.000 1.114 897 M CB -1.270 31.258 32.600 -0.121 0.000 1.361 897 M HN -0.052 nan 8.290 nan 0.000 0.408 898 T N 0.299 114.725 114.554 -0.213 0.000 2.881 898 T HA -0.106 4.245 4.350 0.001 0.000 0.270 898 T C 1.763 176.349 174.700 -0.189 0.000 1.068 898 T CA 0.953 62.947 62.100 -0.176 0.000 1.131 898 T CB -0.044 68.692 68.868 -0.221 0.000 0.871 898 T HN 0.266 nan 8.240 nan 0.000 0.479 899 M N 0.781 120.244 119.600 -0.228 0.000 2.200 899 M HA 0.134 4.614 4.480 0.001 0.000 0.265 899 M C 2.727 178.945 176.300 -0.137 0.000 1.066 899 M CA 0.977 56.161 55.300 -0.193 0.000 1.127 899 M CB -1.166 31.367 32.600 -0.110 0.000 1.379 899 M HN 0.313 nan 8.290 nan 0.000 0.420 900 A N 0.069 122.826 122.820 -0.106 0.000 1.855 900 A HA -0.145 4.175 4.320 0.001 0.000 0.215 900 A C 2.155 179.710 177.584 -0.047 0.000 1.191 900 A CA 1.218 53.214 52.037 -0.068 0.000 0.613 900 A CB -0.949 18.021 19.000 -0.051 0.000 0.829 900 A HN 0.399 nan 8.150 nan 0.000 0.442 901 L N 0.220 121.432 121.223 -0.019 0.000 2.012 901 L HA -0.138 4.203 4.340 0.001 0.000 0.210 901 L C 2.550 179.439 176.870 0.031 0.000 1.073 901 L CA 2.593 57.458 54.840 0.041 0.000 0.748 901 L CB -0.661 41.467 42.059 0.114 0.000 0.891 901 L HN 0.313 nan 8.230 nan 0.000 0.431 902 S N -1.151 114.564 115.700 0.025 0.000 2.370 902 S HA -0.188 4.282 4.470 0.001 0.000 0.226 902 S C 1.950 176.522 174.600 -0.046 0.000 1.033 902 S CA 1.501 59.699 58.200 -0.004 0.000 1.011 902 S CB -0.507 62.508 63.200 -0.307 0.000 0.852 902 S HN 0.363 nan 8.310 nan 0.000 0.457 903 V N 1.714 121.582 119.914 -0.076 0.000 2.307 903 V HA -0.119 4.002 4.120 0.001 0.000 0.245 903 V C 2.235 178.305 176.094 -0.041 0.000 1.045 903 V CA 1.479 63.742 62.300 -0.062 0.000 1.024 903 V CB -0.712 31.050 31.823 -0.102 0.000 0.651 903 V HN 0.353 nan 8.190 nan 0.000 0.449 904 L N 0.261 121.457 121.223 -0.044 0.000 1.990 904 L HA -0.159 4.182 4.340 0.001 0.000 0.213 904 L C 2.399 179.250 176.870 -0.031 0.000 1.072 904 L CA 2.062 56.882 54.840 -0.034 0.000 0.755 904 L CB -0.690 41.357 42.059 -0.020 0.000 0.889 904 L HN 0.137 nan 8.230 nan 0.000 0.432 905 V N -0.621 119.255 119.914 -0.063 0.000 2.287 905 V HA -0.333 3.788 4.120 0.001 0.000 0.248 905 V C 2.470 178.538 176.094 -0.043 0.000 1.053 905 V CA 2.327 64.564 62.300 -0.104 0.000 1.027 905 V CB -1.233 30.380 31.823 -0.351 0.000 0.646 905 V HN 0.590 nan 8.190 nan 0.000 0.447 906 T N 0.158 114.711 114.554 -0.001 0.000 2.746 906 T HA -0.105 4.245 4.350 0.001 0.000 0.267 906 T C 1.835 176.571 174.700 0.059 0.000 1.039 906 T CA 1.688 63.824 62.100 0.060 0.000 1.142 906 T CB -0.267 68.678 68.868 0.129 0.000 0.866 906 T HN 0.334 nan 8.240 nan 0.000 0.444 907 I N 0.941 121.541 120.570 0.051 0.000 2.179 907 I HA -0.151 4.020 4.170 0.001 0.000 0.242 907 I C 2.770 178.939 176.117 0.086 0.000 1.088 907 I CA 1.127 62.472 61.300 0.075 0.000 1.357 907 I CB -0.338 37.699 38.000 0.063 0.000 1.051 907 I HN 0.146 nan 8.210 nan 0.000 0.409 908 E N 0.549 120.790 120.200 0.067 0.000 2.058 908 E HA -0.228 4.122 4.350 0.001 0.000 0.194 908 E C 2.192 178.914 176.600 0.204 0.000 0.997 908 E CA 1.354 57.827 56.400 0.121 0.000 0.801 908 E CB -0.368 29.364 29.700 0.054 0.000 0.746 908 E HN 0.386 nan 8.360 nan 0.000 0.450 909 M N 0.021 119.689 119.600 0.114 0.000 2.202 909 M HA -0.157 4.323 4.480 0.001 0.000 0.262 909 M C 2.452 178.790 176.300 0.063 0.000 1.063 909 M CA 0.928 56.274 55.300 0.075 0.000 1.097 909 M CB -1.337 31.281 32.600 0.029 0.000 1.382 909 M HN 0.174 nan 8.290 nan 0.000 0.413 910 C N -0.107 119.240 119.300 0.079 0.000 2.475 910 C HA -0.044 4.417 4.460 0.001 0.000 0.279 910 C C 2.453 177.491 174.990 0.079 0.000 1.322 910 C CA 0.729 59.786 59.018 0.065 0.000 1.734 910 C CB -1.274 26.508 27.740 0.070 0.000 2.005 910 C HN 0.576 nan 8.230 nan 0.000 0.495 911 N N 0.986 119.771 118.700 0.141 0.000 2.512 911 N HA 0.006 4.747 4.740 0.001 0.000 0.183 911 N C 1.507 177.124 175.510 0.178 0.000 1.073 911 N CA 1.052 54.219 53.050 0.194 0.000 0.911 911 N CB -0.077 38.561 38.487 0.252 0.000 0.964 911 N HN 0.484 nan 8.380 nan 0.000 0.447 912 A N -0.160 122.698 122.820 0.063 0.000 1.930 912 A HA 0.061 4.382 4.320 0.001 0.000 0.215 912 A C 2.029 179.509 177.584 -0.173 0.000 1.176 912 A CA 0.629 52.487 52.037 -0.297 0.000 0.632 912 A CB -0.385 18.450 19.000 -0.276 0.000 0.819 912 A HN 0.316 nan 8.150 nan 0.000 0.445 913 L N -0.725 120.458 121.223 -0.066 0.000 2.313 913 L HA -0.051 4.290 4.340 0.001 0.000 0.214 913 L C 1.962 178.807 176.870 -0.041 0.000 1.119 913 L CA 0.868 55.676 54.840 -0.053 0.000 0.809 913 L CB -0.439 41.602 42.059 -0.030 0.000 0.933 913 L HN 0.464 nan 8.230 nan 0.000 0.449 914 N N -0.977 117.717 118.700 -0.009 0.000 2.494 914 N HA -0.063 4.678 4.740 0.001 0.000 0.182 914 N C 1.497 177.018 175.510 0.018 0.000 1.076 914 N CA 0.248 53.306 53.050 0.013 0.000 0.908 914 N CB 0.280 38.796 38.487 0.050 0.000 0.967 914 N HN 0.128 nan 8.380 nan 0.000 0.449 915 S N 0.373 116.068 115.700 -0.008 0.000 2.548 915 S HA 0.171 4.642 4.470 0.001 0.000 0.215 915 S C 1.680 176.253 174.600 -0.045 0.000 0.976 915 S CA -0.095 58.099 58.200 -0.010 0.000 0.908 915 S CB 0.240 63.396 63.200 -0.073 0.000 0.781 915 S HN 0.281 nan 8.310 nan 0.000 0.519 916 L N 0.697 121.886 121.223 -0.056 0.000 2.127 916 L HA -0.011 4.329 4.340 0.001 0.000 0.211 916 L C 1.202 178.047 176.870 -0.042 0.000 1.089 916 L CA 0.744 55.552 54.840 -0.053 0.000 0.757 916 L CB -0.044 41.978 42.059 -0.063 0.000 0.899 916 L HN 0.225 nan 8.230 nan 0.000 0.434 917 S N -2.185 113.494 115.700 -0.034 0.000 2.588 917 S HA 0.180 4.650 4.470 0.001 0.000 0.275 917 S C 0.430 175.021 174.600 -0.015 0.000 1.130 917 S CA -0.758 57.426 58.200 -0.027 0.000 0.855 917 S CB 2.056 65.238 63.200 -0.030 0.000 1.116 917 S HN 0.190 nan 8.310 nan 0.000 0.472 918 E N 1.336 121.527 120.200 -0.014 0.000 2.042 918 E HA 0.101 4.452 4.350 0.001 0.000 0.189 918 E C 0.052 176.654 176.600 0.002 0.000 0.974 918 E CA 0.849 57.244 56.400 -0.009 0.000 0.806 918 E CB 0.036 29.731 29.700 -0.009 0.000 0.769 918 E HN 0.670 nan 8.360 nan 0.000 0.451 919 N N 0.293 118.997 118.700 0.008 0.000 2.433 919 N HA 0.102 4.843 4.740 0.001 0.000 0.270 919 N C -1.422 174.096 175.510 0.013 0.000 1.354 919 N CA -0.097 52.966 53.050 0.022 0.000 0.889 919 N CB 1.195 39.692 38.487 0.017 0.000 1.285 919 N HN -0.033 nan 8.380 nan 0.000 0.503 920 Q N 0.218 120.021 119.800 0.006 0.000 2.331 920 Q HA 0.317 4.658 4.340 0.001 0.000 0.267 920 Q C -0.401 175.600 176.000 0.002 0.000 1.006 920 Q CA -0.328 55.476 55.803 0.001 0.000 0.818 920 Q CB 2.055 30.783 28.738 -0.017 0.000 1.276 920 Q HN 0.111 nan 8.270 nan 0.000 0.450 921 S N 1.413 117.124 115.700 0.019 0.000 2.572 921 S HA 0.089 4.560 4.470 0.001 0.000 0.279 921 S C 1.246 175.825 174.600 -0.035 0.000 1.341 921 S CA -0.428 57.779 58.200 0.012 0.000 1.043 921 S CB 0.381 63.607 63.200 0.044 0.000 0.887 921 S HN 0.510 nan 8.310 nan 0.000 0.516 922 L N 4.404 125.594 121.223 -0.055 0.000 2.349 922 L HA -0.071 4.269 4.340 0.001 0.000 0.220 922 L C 2.290 179.077 176.870 -0.139 0.000 1.130 922 L CA 1.282 56.055 54.840 -0.111 0.000 0.791 922 L CB -0.520 41.477 42.059 -0.103 0.000 0.918 922 L HN 0.673 nan 8.230 nan 0.000 0.444 923 M N -1.417 118.136 119.600 -0.078 0.000 2.319 923 M HA -0.127 4.354 4.480 0.001 0.000 0.265 923 M C 2.355 178.616 176.300 -0.065 0.000 1.068 923 M CA 1.273 56.536 55.300 -0.061 0.000 1.118 923 M CB -0.776 31.813 32.600 -0.018 0.000 1.395 923 M HN 0.160 nan 8.290 nan 0.000 0.435 924 R N 0.160 120.626 120.500 -0.058 0.000 2.064 924 R HA 0.148 4.489 4.340 0.001 0.000 0.221 924 R C 0.888 177.133 176.300 -0.092 0.000 1.136 924 R CA 0.844 56.915 56.100 -0.048 0.000 0.980 924 R CB 0.146 30.433 30.300 -0.022 0.000 0.876 924 R HN 0.234 nan 8.270 nan 0.000 0.437 925 M N 2.242 121.768 119.600 -0.124 0.000 2.158 925 M HA 0.412 4.893 4.480 0.001 0.000 0.326 925 M C -2.380 173.745 176.300 -0.292 0.000 1.014 925 M CA -2.498 52.700 55.300 -0.170 0.000 0.961 925 M CB 1.501 34.035 32.600 -0.110 0.000 1.327 925 M HN -0.123 nan 8.290 nan 0.000 0.393 926 P HA -0.008 nan 4.420 nan 0.000 0.268 926 P C -2.323 174.550 177.300 -0.711 0.000 1.189 926 P CA -0.490 62.056 63.100 -0.923 0.000 0.771 926 P CB 0.084 30.595 31.700 -1.983 0.000 0.822 927 P HA -0.113 nan 4.420 nan 0.000 0.222 927 P C 0.447 177.696 177.300 -0.084 0.000 1.147 927 P CA 1.091 64.070 63.100 -0.202 0.000 0.790 927 P CB -0.308 31.350 31.700 -0.069 0.000 0.780 928 W N -2.236 119.063 121.300 -0.002 0.000 3.345 928 W HA 0.224 4.884 4.660 0.001 0.000 0.282 928 W C 0.802 177.323 176.519 0.004 0.000 1.302 928 W CA -0.132 57.208 57.345 -0.007 0.000 1.724 928 W CB -1.682 27.768 29.460 -0.017 0.000 1.104 928 W HN -0.329 nan 8.180 nan 0.000 0.694 929 V N 1.745 121.613 119.914 -0.077 0.000 2.626 929 V HA -0.200 3.920 4.120 0.001 0.000 0.252 929 V C 0.973 177.120 176.094 0.089 0.000 1.067 929 V CA 1.751 64.052 62.300 0.001 0.000 1.081 929 V CB -0.768 31.001 31.823 -0.090 0.000 0.686 929 V HN 0.350 nan 8.190 nan 0.000 0.468 930 N N 0.711 119.468 118.700 0.094 0.000 2.776 930 N HA 0.176 4.917 4.740 0.001 0.000 0.245 930 N C 0.760 176.364 175.510 0.156 0.000 1.121 930 N CA -0.269 52.879 53.050 0.163 0.000 0.852 930 N CB 0.950 39.527 38.487 0.150 0.000 1.142 930 N HN 0.010 nan 8.380 nan 0.000 0.514 931 I N 1.127 121.758 120.570 0.101 0.000 2.248 931 I HA -0.238 3.933 4.170 0.001 0.000 0.248 931 I C 1.381 177.445 176.117 -0.088 0.000 1.107 931 I CA 1.210 62.478 61.300 -0.053 0.000 1.373 931 I CB -0.867 36.990 38.000 -0.239 0.000 1.055 931 I HN 0.533 nan 8.210 nan 0.000 0.418 932 W N 0.497 121.837 121.300 0.067 0.000 2.421 932 W HA -0.139 4.522 4.660 0.001 0.000 0.270 932 W C 2.407 178.969 176.519 0.071 0.000 1.233 932 W CA 0.180 57.574 57.345 0.082 0.000 1.226 932 W CB -0.735 28.819 29.460 0.157 0.000 1.121 932 W HN 0.095 nan 8.180 nan 0.000 0.579 933 L N 0.107 121.477 121.223 0.244 0.000 2.072 933 L HA -0.068 4.273 4.340 0.001 0.000 0.205 933 L C 2.071 178.981 176.870 0.066 0.000 1.079 933 L CA 1.785 56.698 54.840 0.121 0.000 0.752 933 L CB -0.930 41.170 42.059 0.067 0.000 0.906 933 L HN -0.014 nan 8.230 nan 0.000 0.436 934 L N -0.665 120.592 121.223 0.057 0.000 1.994 934 L HA -0.124 4.217 4.340 0.001 0.000 0.208 934 L C 2.524 179.401 176.870 0.012 0.000 1.071 934 L CA 1.448 56.306 54.840 0.029 0.000 0.745 934 L CB -1.617 40.461 42.059 0.032 0.000 0.892 934 L HN 0.429 nan 8.230 nan 0.000 0.431 935 G N -1.183 107.618 108.800 0.001 0.000 2.479 935 G HA2 -0.282 3.679 3.960 0.001 0.000 0.220 935 G HA3 -0.282 3.679 3.960 0.001 0.000 0.220 935 G C 1.803 176.722 174.900 0.031 0.000 1.115 935 G CA 1.097 46.194 45.100 -0.006 0.000 0.757 935 G HN 0.378 nan 8.290 nan 0.000 0.560 936 S N 0.132 115.869 115.700 0.060 0.000 2.345 936 S HA -0.008 4.463 4.470 0.001 0.000 0.219 936 S C 2.398 177.005 174.600 0.012 0.000 1.031 936 S CA 0.827 59.059 58.200 0.054 0.000 0.984 936 S CB -0.254 62.985 63.200 0.065 0.000 0.874 936 S HN 0.352 nan 8.310 nan 0.000 0.451 937 I N 1.333 121.903 120.570 0.001 0.000 2.286 937 I HA -0.210 3.961 4.170 0.001 0.000 0.248 937 I C 2.493 178.586 176.117 -0.039 0.000 1.115 937 I CA 0.897 62.187 61.300 -0.018 0.000 1.392 937 I CB -0.605 37.386 38.000 -0.015 0.000 1.065 937 I HN 0.423 nan 8.210 nan 0.000 0.418 938 C N 0.273 119.552 119.300 -0.036 0.000 2.425 938 C HA -0.124 4.337 4.460 0.001 0.000 0.277 938 C C 2.701 177.656 174.990 -0.058 0.000 1.280 938 C CA 0.302 59.286 59.018 -0.057 0.000 1.744 938 C CB -0.922 26.793 27.740 -0.042 0.000 1.989 938 C HN 0.495 nan 8.230 nan 0.000 0.491 939 L N 0.818 122.025 121.223 -0.027 0.000 2.217 939 L HA -0.025 4.316 4.340 0.001 0.000 0.211 939 L C 2.437 179.300 176.870 -0.013 0.000 1.107 939 L CA 1.728 56.560 54.840 -0.012 0.000 0.783 939 L CB -0.572 41.493 42.059 0.010 0.000 0.919 939 L HN 0.195 nan 8.230 nan 0.000 0.442 940 S N -1.089 114.596 115.700 -0.024 0.000 2.377 940 S HA -0.060 4.411 4.470 0.001 0.000 0.223 940 S C 1.863 176.449 174.600 -0.023 0.000 1.030 940 S CA 1.220 59.414 58.200 -0.010 0.000 0.970 940 S CB -0.125 63.064 63.200 -0.019 0.000 0.830 940 S HN 0.339 nan 8.310 nan 0.000 0.473 941 M N 1.875 121.402 119.600 -0.122 0.000 2.132 941 M HA -0.016 4.465 4.480 0.001 0.000 0.263 941 M C 2.458 178.500 176.300 -0.430 0.000 1.065 941 M CA 1.353 56.474 55.300 -0.298 0.000 1.122 941 M CB -1.884 30.485 32.600 -0.386 0.000 1.365 941 M HN 0.456 nan 8.290 nan 0.000 0.411 942 S N 0.288 115.836 115.700 -0.252 0.000 2.419 942 S HA -0.066 4.405 4.470 0.001 0.000 0.233 942 S C 1.910 176.497 174.600 -0.021 0.000 1.016 942 S CA 0.898 59.008 58.200 -0.151 0.000 0.974 942 S CB -0.762 62.404 63.200 -0.057 0.000 0.786 942 S HN 0.513 nan 8.310 nan 0.000 0.492 943 L N 0.007 121.257 121.223 0.044 0.000 2.509 943 L HA 0.176 4.516 4.340 0.001 0.000 0.222 943 L C 2.577 179.579 176.870 0.220 0.000 1.123 943 L CA 0.788 55.732 54.840 0.173 0.000 0.856 943 L CB -0.352 41.867 42.059 0.266 0.000 0.985 943 L HN 0.372 nan 8.230 nan 0.000 0.456 944 H N -0.162 118.931 119.070 0.038 0.000 2.384 944 H HA -0.029 4.528 4.556 0.001 0.000 0.300 944 H C 2.017 177.466 175.328 0.201 0.000 1.057 944 H CA 1.390 57.486 56.048 0.079 0.000 1.370 944 H CB -0.002 29.788 29.762 0.046 0.000 1.417 944 H HN 0.180 nan 8.280 nan 0.000 0.527 945 F N -0.838 119.140 119.950 0.047 0.000 2.234 945 F HA -0.130 4.398 4.527 0.001 0.000 0.299 945 F C 2.142 177.916 175.800 -0.044 0.000 1.087 945 F CA 0.077 58.047 58.000 -0.051 0.000 1.340 945 F CB 0.055 38.937 39.000 -0.198 0.000 1.031 945 F HN 0.202 nan 8.300 nan 0.000 0.500 946 L N 0.311 121.622 121.223 0.147 0.000 2.141 946 L HA -0.094 4.247 4.340 0.001 0.000 0.209 946 L C 1.811 178.677 176.870 -0.006 0.000 1.094 946 L CA 1.367 56.251 54.840 0.073 0.000 0.763 946 L CB -0.372 41.726 42.059 0.066 0.000 0.908 946 L HN 0.112 nan 8.230 nan 0.000 0.437 947 I N -1.410 119.080 120.570 -0.133 0.000 3.646 947 I HA -0.111 4.060 4.170 0.001 0.000 0.301 947 I C 1.231 177.205 176.117 -0.239 0.000 1.276 947 I CA 0.394 61.472 61.300 -0.370 0.000 1.254 947 I CB 0.148 37.644 38.000 -0.840 0.000 1.020 947 I HN 0.286 nan 8.210 nan 0.000 0.473 948 L N -1.552 119.648 121.223 -0.039 0.000 2.600 948 L HA 0.040 4.381 4.340 0.001 0.000 0.213 948 L C 1.755 178.666 176.870 0.068 0.000 1.045 948 L CA 0.157 55.008 54.840 0.018 0.000 0.863 948 L CB -0.391 41.739 42.059 0.118 0.000 1.189 948 L HN 0.080 nan 8.230 nan 0.000 0.484 949 Y N 0.409 120.685 120.300 -0.040 0.000 2.231 949 Y HA 0.030 4.581 4.550 0.001 0.000 0.294 949 Y C 1.404 177.290 175.900 -0.023 0.000 1.120 949 Y CA -0.105 57.978 58.100 -0.029 0.000 1.141 949 Y CB -0.387 38.059 38.460 -0.023 0.000 1.022 949 Y HN -0.264 nan 8.280 nan 0.000 0.523 950 V N 3.047 123.050 119.914 0.147 0.000 2.399 950 V HA -0.124 3.997 4.120 0.001 0.000 0.245 950 V C 1.171 177.289 176.094 0.039 0.000 1.089 950 V CA 0.488 62.834 62.300 0.076 0.000 1.196 950 V CB -0.906 30.951 31.823 0.057 0.000 1.221 950 V HN 0.362 nan 8.190 nan 0.000 0.482 951 D N 6.384 126.800 120.400 0.025 0.000 2.558 951 D HA -0.231 4.409 4.640 0.001 0.000 0.190 951 D C -0.620 175.687 176.300 0.013 0.000 1.047 951 D CA 2.463 56.466 54.000 0.006 0.000 0.880 951 D CB -0.652 40.149 40.800 0.002 0.000 0.926 951 D HN 0.465 nan 8.370 nan 0.000 0.465 952 P HA -0.067 nan 4.420 nan 0.000 0.227 952 P C 0.889 178.218 177.300 0.047 0.000 1.145 952 P CA 0.924 64.041 63.100 0.027 0.000 0.769 952 P CB -0.010 31.709 31.700 0.030 0.000 0.769 953 L N -0.701 120.554 121.223 0.054 0.000 2.453 953 L HA 0.190 4.531 4.340 0.001 0.000 0.190 953 L C -0.616 176.346 176.870 0.154 0.000 1.093 953 L CA 0.385 55.292 54.840 0.112 0.000 0.834 953 L CB -1.730 40.334 42.059 0.007 0.000 1.090 953 L HN -0.107 nan 8.230 nan 0.000 0.489 954 P HA -0.238 nan 4.420 nan 0.000 0.220 954 P C 1.665 178.988 177.300 0.038 0.000 1.144 954 P CA 1.516 64.631 63.100 0.024 0.000 0.800 954 P CB -0.034 31.642 31.700 -0.041 0.000 0.772 955 M N -0.630 118.986 119.600 0.027 0.000 2.349 955 M HA -0.024 4.457 4.480 0.001 0.000 0.266 955 M C 1.937 178.235 176.300 -0.003 0.000 1.076 955 M CA 1.165 56.467 55.300 0.004 0.000 1.126 955 M CB -0.766 31.830 32.600 -0.005 0.000 1.392 955 M HN -0.095 nan 8.290 nan 0.000 0.440 956 I N -1.166 119.408 120.570 0.007 0.000 2.339 956 I HA -0.199 3.972 4.170 0.001 0.000 0.245 956 I C 1.283 177.289 176.117 -0.185 0.000 1.096 956 I CA 0.829 62.065 61.300 -0.107 0.000 1.408 956 I CB -0.432 37.460 38.000 -0.180 0.000 1.092 956 I HN 0.029 nan 8.210 nan 0.000 0.423 957 F N 1.244 121.146 119.950 -0.079 0.000 2.811 957 F HA 0.117 4.645 4.527 0.001 0.000 0.301 957 F C 1.052 176.811 175.800 -0.067 0.000 1.151 957 F CA 0.128 58.080 58.000 -0.081 0.000 1.412 957 F CB -0.481 38.428 39.000 -0.152 0.000 1.113 957 F HN -0.043 nan 8.300 nan 0.000 0.579 958 K N 1.364 121.803 120.400 0.065 0.000 3.419 958 K HA -0.201 4.120 4.320 0.001 0.000 0.272 958 K C -0.978 175.619 176.600 -0.005 0.000 0.973 958 K CA 0.050 56.346 56.287 0.015 0.000 0.749 958 K CB -1.193 31.311 32.500 0.007 0.000 1.403 958 K HN 0.361 nan 8.250 nan 0.000 0.456 959 L N 0.128 121.342 121.223 -0.015 0.000 2.235 959 L HA 0.638 4.979 4.340 0.001 0.000 0.260 959 L C -0.460 176.347 176.870 -0.105 0.000 1.025 959 L CA -1.157 53.640 54.840 -0.071 0.000 0.836 959 L CB 2.006 44.021 42.059 -0.074 0.000 1.395 959 L HN 0.184 nan 8.230 nan 0.000 0.443 960 K N 0.545 120.859 120.400 -0.143 0.000 2.592 960 K HA 0.495 4.816 4.320 0.001 0.000 0.265 960 K C -1.073 175.426 176.600 -0.169 0.000 1.006 960 K CA -0.445 55.747 56.287 -0.158 0.000 0.907 960 K CB 1.617 34.016 32.500 -0.168 0.000 1.309 960 K HN 0.675 nan 8.250 nan 0.000 0.452 961 A N 3.783 126.490 122.820 -0.188 0.000 2.615 961 A HA 0.208 4.528 4.320 0.001 0.000 0.230 961 A C -0.001 177.522 177.584 -0.101 0.000 1.062 961 A CA 0.271 52.210 52.037 -0.163 0.000 0.758 961 A CB -0.294 18.409 19.000 -0.495 0.000 0.995 961 A HN 0.649 nan 8.150 nan 0.000 0.511 962 L N -0.335 120.891 121.223 0.005 0.000 2.354 962 L HA 0.761 5.102 4.340 0.001 0.000 0.269 962 L C -0.244 176.723 176.870 0.160 0.000 1.005 962 L CA -1.228 53.606 54.840 -0.010 0.000 0.819 962 L CB 1.713 43.642 42.059 -0.216 0.000 1.311 962 L HN 0.786 nan 8.230 nan 0.000 0.423 963 D N 1.385 121.871 120.400 0.142 0.000 2.393 963 D HA 0.170 4.811 4.640 0.001 0.000 0.246 963 D C 1.088 177.557 176.300 0.281 0.000 1.275 963 D CA -0.428 53.685 54.000 0.187 0.000 0.979 963 D CB 0.742 41.620 40.800 0.131 0.000 1.101 963 D HN 0.600 nan 8.370 nan 0.000 0.505 964 L N -1.060 120.295 121.223 0.221 0.000 1.989 964 L HA -0.189 4.152 4.340 0.001 0.000 0.211 964 L C 2.483 179.484 176.870 0.218 0.000 1.071 964 L CA 1.882 56.854 54.840 0.219 0.000 0.749 964 L CB -1.126 41.010 42.059 0.128 0.000 0.890 964 L HN 0.537 nan 8.230 nan 0.000 0.431 965 T N -0.962 113.694 114.554 0.171 0.000 2.737 965 T HA -0.205 4.146 4.350 0.001 0.000 0.269 965 T C 1.963 176.762 174.700 0.166 0.000 1.040 965 T CA 1.153 63.348 62.100 0.159 0.000 1.142 965 T CB -0.170 68.792 68.868 0.157 0.000 0.861 965 T HN 0.316 nan 8.240 nan 0.000 0.456 966 Q N -0.155 119.750 119.800 0.175 0.000 2.020 966 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 966 Q C 2.158 178.155 176.000 -0.006 0.000 0.982 966 Q CA 1.418 57.281 55.803 0.100 0.000 0.838 966 Q CB -0.564 28.205 28.738 0.051 0.000 0.899 966 Q HN 0.677 nan 8.270 nan 0.000 0.423 967 W N 1.225 122.566 121.300 0.068 0.000 2.363 967 W HA -0.093 4.568 4.660 0.001 0.000 0.296 967 W C 2.136 178.671 176.519 0.027 0.000 1.212 967 W CA 0.561 57.943 57.345 0.062 0.000 1.260 967 W CB -0.319 29.195 29.460 0.090 0.000 1.131 967 W HN 0.087 nan 8.180 nan 0.000 0.530 968 L N -0.440 120.927 121.223 0.240 0.000 2.265 968 L HA -0.231 4.110 4.340 0.001 0.000 0.215 968 L C 2.301 179.191 176.870 0.034 0.000 1.117 968 L CA 0.925 55.845 54.840 0.133 0.000 0.782 968 L CB -0.680 41.443 42.059 0.106 0.000 0.914 968 L HN 0.103 nan 8.230 nan 0.000 0.441 969 M N -0.330 119.240 119.600 -0.050 0.000 2.134 969 M HA -0.076 4.405 4.480 0.001 0.000 0.262 969 M C 2.110 178.291 176.300 -0.199 0.000 1.076 969 M CA 1.712 56.871 55.300 -0.235 0.000 1.143 969 M CB -0.256 32.031 32.600 -0.522 0.000 1.346 969 M HN -0.087 nan 8.290 nan 0.000 0.421 970 V N 0.920 120.747 119.914 -0.144 0.000 2.392 970 V HA -0.274 3.847 4.120 0.001 0.000 0.249 970 V C 2.296 178.398 176.094 0.014 0.000 1.059 970 V CA 1.749 63.992 62.300 -0.094 0.000 1.051 970 V CB -1.105 30.659 31.823 -0.099 0.000 0.658 970 V HN 0.550 nan 8.190 nan 0.000 0.455 971 L N -0.553 120.721 121.223 0.086 0.000 2.622 971 L HA -0.003 4.337 4.340 0.001 0.000 0.233 971 L C 2.001 178.899 176.870 0.046 0.000 1.156 971 L CA 0.752 55.651 54.840 0.099 0.000 0.866 971 L CB -0.427 41.712 42.059 0.132 0.000 0.980 971 L HN 0.260 nan 8.230 nan 0.000 0.448 972 K N -0.091 120.308 120.400 -0.002 0.000 2.355 972 K HA 0.310 4.631 4.320 0.001 0.000 0.198 972 K C 1.376 177.971 176.600 -0.009 0.000 1.039 972 K CA 0.428 56.706 56.287 -0.015 0.000 1.075 972 K CB 1.114 33.580 32.500 -0.057 0.000 0.870 972 K HN 0.340 nan 8.250 nan 0.000 0.540 973 I N -0.803 119.757 120.570 -0.018 0.000 4.403 973 I HA 0.049 4.220 4.170 0.001 0.000 0.331 973 I C 1.304 177.459 176.117 0.064 0.000 1.327 973 I CA 0.193 61.487 61.300 -0.009 0.000 1.175 973 I CB 0.732 38.649 38.000 -0.137 0.000 1.165 973 I HN -0.163 nan 8.210 nan 0.000 0.413 974 S N 0.794 116.539 115.700 0.075 0.000 2.527 974 S HA 0.175 4.646 4.470 0.001 0.000 0.225 974 S C 1.826 176.511 174.600 0.142 0.000 1.046 974 S CA 0.168 58.437 58.200 0.116 0.000 0.929 974 S CB 0.083 63.329 63.200 0.076 0.000 0.851 974 S HN 0.139 nan 8.310 nan 0.000 0.565 975 L N 2.796 124.077 121.223 0.098 0.000 2.051 975 L HA -0.082 4.259 4.340 0.001 0.000 0.214 975 L C -0.747 176.156 176.870 0.055 0.000 1.076 975 L CA 1.937 56.820 54.840 0.072 0.000 0.758 975 L CB -2.609 39.484 42.059 0.057 0.000 0.890 975 L HN 0.278 nan 8.230 nan 0.000 0.433 976 P HA -0.116 nan 4.420 nan 0.000 0.228 976 P C 1.932 179.179 177.300 -0.088 0.000 1.151 976 P CA 0.807 63.908 63.100 0.001 0.000 0.770 976 P CB -0.004 31.713 31.700 0.028 0.000 0.786 977 V N 0.006 119.907 119.914 -0.021 0.000 2.515 977 V HA -0.192 3.928 4.120 0.001 0.000 0.250 977 V C 2.387 178.436 176.094 -0.076 0.000 1.058 977 V CA 1.220 63.454 62.300 -0.110 0.000 1.064 977 V CB -0.811 31.092 31.823 0.132 0.000 0.675 977 V HN -0.047 nan 8.190 nan 0.000 0.461 978 I N 0.392 120.949 120.570 -0.022 0.000 2.179 978 I HA -0.132 4.039 4.170 0.001 0.000 0.242 978 I C 2.595 178.689 176.117 -0.039 0.000 1.088 978 I CA 1.688 62.979 61.300 -0.015 0.000 1.357 978 I CB -1.062 36.939 38.000 0.001 0.000 1.051 978 I HN 0.414 nan 8.210 nan 0.000 0.409 979 G N 1.063 109.831 108.800 -0.053 0.000 2.432 979 G HA2 -0.240 3.721 3.960 0.001 0.000 0.219 979 G HA3 -0.240 3.721 3.960 0.001 0.000 0.219 979 G C 1.639 176.490 174.900 -0.080 0.000 1.135 979 G CA 0.630 45.693 45.100 -0.061 0.000 0.767 979 G HN 0.260 nan 8.290 nan 0.000 0.550 980 L N 1.136 122.281 121.223 -0.129 0.000 1.955 980 L HA -0.055 4.286 4.340 0.001 0.000 0.213 980 L C 2.179 178.990 176.870 -0.099 0.000 1.072 980 L CA 2.899 57.640 54.840 -0.165 0.000 0.755 980 L CB -0.957 40.911 42.059 -0.320 0.000 0.888 980 L HN 0.219 nan 8.230 nan 0.000 0.432 981 D N -1.117 119.231 120.400 -0.087 0.000 2.178 981 D HA -0.226 4.415 4.640 0.001 0.000 0.201 981 D C 2.078 178.384 176.300 0.010 0.000 0.980 981 D CA 1.002 54.975 54.000 -0.045 0.000 0.842 981 D CB 0.009 40.790 40.800 -0.032 0.000 0.948 981 D HN 0.497 nan 8.370 nan 0.000 0.472 982 E N -0.402 119.799 120.200 0.001 0.000 2.160 982 E HA -0.130 4.220 4.350 0.001 0.000 0.195 982 E C 1.839 178.479 176.600 0.066 0.000 0.991 982 E CA 0.760 57.175 56.400 0.025 0.000 0.810 982 E CB -0.057 29.638 29.700 -0.009 0.000 0.742 982 E HN 0.326 nan 8.360 nan 0.000 0.466 983 I N 0.072 120.671 120.570 0.049 0.000 2.277 983 I HA -0.186 3.985 4.170 0.001 0.000 0.243 983 I C 2.227 178.475 176.117 0.219 0.000 1.094 983 I CA 0.882 62.237 61.300 0.093 0.000 1.393 983 I CB -1.116 36.906 38.000 0.037 0.000 1.078 983 I HN 0.201 nan 8.210 nan 0.000 0.417 984 L N 0.504 121.855 121.223 0.214 0.000 2.081 984 L HA -0.244 4.097 4.340 0.001 0.000 0.212 984 L C 2.554 179.712 176.870 0.480 0.000 1.080 984 L CA 1.476 56.566 54.840 0.417 0.000 0.754 984 L CB -0.625 41.550 42.059 0.193 0.000 0.893 984 L HN 0.239 nan 8.230 nan 0.000 0.433 985 K N -0.690 119.880 120.400 0.283 0.000 2.057 985 K HA -0.176 4.145 4.320 0.001 0.000 0.206 985 K C 2.106 178.806 176.600 0.166 0.000 1.050 985 K CA 1.321 57.736 56.287 0.213 0.000 0.935 985 K CB -0.286 32.295 32.500 0.135 0.000 0.715 985 K HN 0.057 nan 8.250 nan 0.000 0.439 986 F N 2.091 122.065 119.950 0.041 0.000 2.161 986 F HA -0.189 4.339 4.527 0.001 0.000 0.300 986 F C 1.839 177.622 175.800 -0.029 0.000 1.089 986 F CA 1.344 59.346 58.000 0.003 0.000 1.282 986 F CB -0.117 38.887 39.000 0.007 0.000 1.010 986 F HN -0.075 nan 8.300 nan 0.000 0.485 987 I N -0.509 120.111 120.570 0.083 0.000 2.493 987 I HA -0.247 3.924 4.170 0.001 0.000 0.254 987 I C 2.511 178.406 176.117 -0.370 0.000 1.160 987 I CA 0.928 62.154 61.300 -0.123 0.000 1.445 987 I CB -0.900 37.039 38.000 -0.100 0.000 1.086 987 I HN 0.187 nan 8.210 nan 0.000 0.433 988 A N 2.085 124.671 122.820 -0.390 0.000 1.855 988 A HA -0.123 4.198 4.320 0.001 0.000 0.213 988 A C 2.247 179.669 177.584 -0.270 0.000 1.195 988 A CA 0.909 52.671 52.037 -0.458 0.000 0.610 988 A CB -0.481 18.339 19.000 -0.301 0.000 0.837 988 A HN 0.474 nan 8.150 nan 0.000 0.444 989 R N -0.645 119.728 120.500 -0.213 0.000 2.343 989 R HA 0.130 4.470 4.340 0.001 0.000 0.202 989 R C 0.317 176.467 176.300 -0.251 0.000 1.023 989 R CA 0.985 56.967 56.100 -0.197 0.000 1.084 989 R CB -0.263 29.941 30.300 -0.161 0.000 0.956 989 R HN 0.454 nan 8.270 nan 0.000 0.478 990 N N -0.399 118.135 118.700 -0.278 0.000 3.225 990 N HA -0.078 4.663 4.740 0.001 0.000 0.250 990 N C 0.763 176.187 175.510 -0.143 0.000 0.980 990 N CA 0.028 52.927 53.050 -0.252 0.000 1.117 990 N CB -0.502 37.743 38.487 -0.402 0.000 1.488 990 N HN 0.025 nan 8.380 nan 0.000 0.833 991 Y N 2.442 122.582 120.300 -0.266 0.000 2.497 991 Y HA 0.204 4.755 4.550 0.001 0.000 0.292 991 Y C 0.919 176.684 175.900 -0.224 0.000 1.137 991 Y CA 0.949 58.918 58.100 -0.218 0.000 1.285 991 Y CB -0.005 38.321 38.460 -0.224 0.000 0.991 991 Y HN -0.005 nan 8.280 nan 0.000 0.556 992 L N -1.288 119.788 121.223 -0.245 0.000 2.464 992 L HA 0.223 4.564 4.340 0.001 0.000 0.264 992 L C 1.780 178.530 176.870 -0.201 0.000 1.062 992 L CA -0.535 54.146 54.840 -0.266 0.000 0.935 992 L CB 0.483 42.370 42.059 -0.287 0.000 1.603 992 L HN -0.195 nan 8.230 nan 0.000 0.528 993 E N -0.219 119.887 120.200 -0.156 0.000 2.051 993 E HA 0.032 4.383 4.350 0.001 0.000 0.192 993 E C 0.458 176.994 176.600 -0.106 0.000 0.991 993 E CA 1.022 57.353 56.400 -0.115 0.000 0.799 993 E CB 0.173 29.824 29.700 -0.081 0.000 0.748 993 E HN 0.727 nan 8.360 nan 0.000 0.449 994 G N 0.000 108.737 108.800 -0.105 0.000 5.446 994 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 994 G CA 0.000 45.044 45.100 -0.094 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925