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 1su4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.197 176.300 -0.171 0.000 1.140 1 M CA 0.000 55.056 55.300 -0.407 0.000 0.988 1 M CB 0.000 32.407 32.600 -0.321 0.000 1.302 2 E N 2.881 122.969 120.200 -0.187 0.000 2.314 2 E HA 0.770 5.121 4.350 0.002 0.000 0.272 2 E C -0.368 176.195 176.600 -0.062 0.000 0.884 2 E CA 0.454 56.825 56.400 -0.048 0.000 0.753 2 E CB 2.047 31.755 29.700 0.012 0.000 1.213 2 E HN 1.334 nan 8.360 nan 0.000 0.432 3 A N 1.682 124.499 122.820 -0.005 0.000 2.826 3 A HA -0.296 4.026 4.320 0.002 0.000 0.274 3 A C 1.535 178.956 177.584 -0.272 0.000 1.443 3 A CA 1.468 53.423 52.037 -0.135 0.000 0.833 3 A CB -2.070 16.843 19.000 -0.145 0.000 1.023 3 A HN 0.764 nan 8.150 nan 0.000 0.600 4 A N 0.347 123.100 122.820 -0.111 0.000 1.986 4 A HA -0.197 4.124 4.320 0.002 0.000 0.220 4 A C 1.839 179.367 177.584 -0.093 0.000 1.171 4 A CA 2.082 54.061 52.037 -0.098 0.000 0.640 4 A CB -1.056 17.917 19.000 -0.045 0.000 0.811 4 A HN 1.627 nan 8.150 nan 0.000 0.451 5 H N -1.427 117.642 119.070 -0.001 0.000 2.457 5 H HA -0.066 4.491 4.556 0.002 0.000 0.297 5 H C 2.019 177.362 175.328 0.026 0.000 1.092 5 H CA 1.610 57.662 56.048 0.006 0.000 1.309 5 H CB -0.497 29.281 29.762 0.025 0.000 1.382 5 H HN 0.463 nan 8.280 nan 0.000 0.535 6 S N 0.275 115.603 115.700 -0.621 0.000 2.395 6 S HA 0.014 4.486 4.470 0.002 0.000 0.225 6 S C 0.931 175.455 174.600 -0.127 0.000 1.027 6 S CA -0.056 57.944 58.200 -0.335 0.000 0.965 6 S CB 0.086 63.051 63.200 -0.391 0.000 0.812 6 S HN 0.396 nan 8.310 nan 0.000 0.482 7 K N 1.740 122.071 120.400 -0.116 0.000 2.102 7 K HA 0.309 4.630 4.320 0.002 0.000 0.244 7 K C 0.430 177.024 176.600 -0.011 0.000 1.021 7 K CA -0.159 56.102 56.287 -0.042 0.000 0.913 7 K CB 0.881 33.366 32.500 -0.025 0.000 1.062 7 K HN 0.392 nan 8.250 nan 0.000 0.485 8 S N -1.051 114.653 115.700 0.007 0.000 2.707 8 S HA 0.054 4.525 4.470 0.002 0.000 0.276 8 S C 1.436 176.050 174.600 0.023 0.000 1.179 8 S CA -0.117 58.094 58.200 0.018 0.000 0.992 8 S CB 1.135 64.344 63.200 0.016 0.000 1.030 8 S HN 0.732 nan 8.310 nan 0.000 0.554 9 T N -0.804 113.765 114.554 0.025 0.000 2.684 9 T HA -0.146 4.206 4.350 0.002 0.000 0.267 9 T C 1.335 176.054 174.700 0.032 0.000 1.036 9 T CA 1.688 63.804 62.100 0.026 0.000 1.148 9 T CB -0.969 67.910 68.868 0.019 0.000 0.863 9 T HN 0.680 nan 8.240 nan 0.000 0.436 10 E N 1.526 121.743 120.200 0.027 0.000 2.077 10 E HA -0.091 4.260 4.350 0.002 0.000 0.193 10 E C 2.390 179.015 176.600 0.041 0.000 0.989 10 E CA 1.472 57.890 56.400 0.029 0.000 0.800 10 E CB -0.261 29.451 29.700 0.019 0.000 0.746 10 E HN 0.724 nan 8.360 nan 0.000 0.452 11 E N -0.156 120.067 120.200 0.039 0.000 2.051 11 E HA -0.179 4.172 4.350 0.002 0.000 0.192 11 E C 2.176 178.830 176.600 0.089 0.000 0.991 11 E CA 1.277 57.707 56.400 0.051 0.000 0.799 11 E CB -0.254 29.468 29.700 0.037 0.000 0.748 11 E HN 0.302 nan 8.360 nan 0.000 0.449 12 C N 0.955 120.304 119.300 0.082 0.000 2.425 12 C HA -0.095 4.366 4.460 0.002 0.000 0.277 12 C C 2.645 177.749 174.990 0.189 0.000 1.280 12 C CA 0.402 59.492 59.018 0.119 0.000 1.744 12 C CB -0.936 26.850 27.740 0.077 0.000 1.989 12 C HN 0.377 nan 8.230 nan 0.000 0.491 13 L N 0.946 122.250 121.223 0.135 0.000 2.093 13 L HA -0.131 4.210 4.340 0.002 0.000 0.208 13 L C 2.832 179.793 176.870 0.153 0.000 1.085 13 L CA 1.512 56.437 54.840 0.142 0.000 0.755 13 L CB -0.633 41.474 42.059 0.081 0.000 0.904 13 L HN 0.340 nan 8.230 nan 0.000 0.435 14 A N -1.061 121.826 122.820 0.111 0.000 1.968 14 A HA -0.249 4.073 4.320 0.002 0.000 0.217 14 A C 2.140 179.760 177.584 0.060 0.000 1.169 14 A CA 0.929 53.009 52.037 0.072 0.000 0.638 14 A CB -0.755 18.265 19.000 0.032 0.000 0.812 14 A HN 0.418 nan 8.150 nan 0.000 0.446 15 Y N -0.501 119.762 120.300 -0.062 0.000 2.151 15 Y HA -0.237 4.314 4.550 0.002 0.000 0.284 15 Y C 1.270 176.961 175.900 -0.348 0.000 1.166 15 Y CA 2.022 59.977 58.100 -0.242 0.000 1.163 15 Y CB -0.292 37.960 38.460 -0.347 0.000 0.974 15 Y HN 0.311 nan 8.280 nan 0.000 0.511 16 F N -0.472 119.652 119.950 0.291 0.000 2.639 16 F HA 0.347 4.875 4.527 0.002 0.000 0.302 16 F C 1.412 177.312 175.800 0.166 0.000 1.097 16 F CA 0.185 58.337 58.000 0.254 0.000 1.294 16 F CB 0.170 39.342 39.000 0.286 0.000 1.027 16 F HN 0.024 nan 8.300 nan 0.000 0.550 17 G N 2.145 111.080 108.800 0.225 0.000 2.370 17 G HA2 -0.070 3.891 3.960 0.002 0.000 0.293 17 G HA3 -0.070 3.891 3.960 0.002 0.000 0.293 17 G C -0.499 174.487 174.900 0.144 0.000 0.992 17 G CA 0.387 45.573 45.100 0.144 0.000 1.247 17 G HN 0.604 nan 8.290 nan 0.000 0.505 18 V N -2.242 117.754 119.914 0.138 0.000 2.932 18 V HA 0.915 5.037 4.120 0.002 0.000 0.307 18 V C 0.160 176.291 176.094 0.062 0.000 1.147 18 V CA -0.471 61.885 62.300 0.094 0.000 0.951 18 V CB 1.613 33.496 31.823 0.099 0.000 1.031 18 V HN 1.532 nan 8.190 nan 0.000 0.426 19 S N 1.330 117.050 115.700 0.033 0.000 2.585 19 S HA 0.411 4.882 4.470 0.002 0.000 0.277 19 S C 0.604 175.197 174.600 -0.011 0.000 1.241 19 S CA 0.077 58.283 58.200 0.010 0.000 1.041 19 S CB 1.270 64.470 63.200 -0.000 0.000 0.987 19 S HN 1.151 nan 8.310 nan 0.000 0.512 20 E N 0.647 120.827 120.200 -0.033 0.000 2.512 20 E HA -0.039 4.312 4.350 0.002 0.000 0.195 20 E C 0.718 177.229 176.600 -0.147 0.000 1.083 20 E CA 0.752 57.107 56.400 -0.076 0.000 0.873 20 E CB -0.630 29.023 29.700 -0.077 0.000 0.897 20 E HN 0.822 nan 8.360 nan 0.000 0.514 21 T N -3.906 110.586 114.554 -0.104 0.000 3.044 21 T HA 0.189 4.540 4.350 0.002 0.000 0.260 21 T C 1.349 176.009 174.700 -0.067 0.000 1.019 21 T CA 0.109 62.136 62.100 -0.122 0.000 0.921 21 T CB 0.709 69.529 68.868 -0.081 0.000 1.053 21 T HN 0.012 nan 8.240 nan 0.000 0.533 22 T N 0.355 114.891 114.554 -0.031 0.000 3.176 22 T HA 0.579 4.930 4.350 0.002 0.000 0.259 22 T C 0.935 175.656 174.700 0.035 0.000 0.978 22 T CA 0.517 62.623 62.100 0.008 0.000 1.050 22 T CB 0.317 69.190 68.868 0.008 0.000 1.136 22 T HN 0.851 nan 8.240 nan 0.000 0.465 23 G N 1.731 110.547 108.800 0.026 0.000 2.781 23 G HA2 -0.022 3.939 3.960 0.002 0.000 0.683 23 G HA3 -0.022 3.939 3.960 0.002 0.000 0.683 23 G C -0.963 173.942 174.900 0.008 0.000 1.390 23 G CA -1.072 44.049 45.100 0.036 0.000 0.850 23 G HN 0.374 nan 8.290 nan 0.000 0.557 24 L N 1.347 122.555 121.223 -0.025 0.000 2.514 24 L HA 0.439 4.781 4.340 0.002 0.000 0.280 24 L C 1.979 178.815 176.870 -0.057 0.000 1.223 24 L CA 0.997 55.794 54.840 -0.070 0.000 0.864 24 L CB 0.384 42.347 42.059 -0.159 0.000 1.118 24 L HN 1.141 nan 8.230 nan 0.000 0.494 25 T N 1.302 115.823 114.554 -0.055 0.000 2.810 25 T HA 0.372 4.723 4.350 0.002 0.000 0.277 25 T C -1.677 172.992 174.700 -0.052 0.000 0.973 25 T CA -1.270 60.809 62.100 -0.036 0.000 0.949 25 T CB 0.919 69.777 68.868 -0.016 0.000 1.075 25 T HN 0.544 nan 8.240 nan 0.000 0.537 26 P HA -0.061 nan 4.420 nan 0.000 0.216 26 P C 0.959 178.242 177.300 -0.028 0.000 1.153 26 P CA 1.181 64.262 63.100 -0.031 0.000 0.844 26 P CB -0.030 31.661 31.700 -0.016 0.000 0.787 27 D N 0.358 120.749 120.400 -0.014 0.000 2.123 27 D HA -0.195 4.446 4.640 0.002 0.000 0.196 27 D C 2.203 178.504 176.300 0.002 0.000 0.992 27 D CA 1.212 55.214 54.000 0.003 0.000 0.833 27 D CB -0.375 40.434 40.800 0.015 0.000 0.954 27 D HN 0.367 nan 8.370 nan 0.000 0.455 28 Q N 0.469 120.243 119.800 -0.044 0.000 2.046 28 Q HA -0.095 4.246 4.340 0.002 0.000 0.200 28 Q C 2.642 178.477 176.000 -0.276 0.000 0.975 28 Q CA 0.837 56.555 55.803 -0.140 0.000 0.836 28 Q CB 0.002 28.598 28.738 -0.238 0.000 0.896 28 Q HN 0.143 nan 8.270 nan 0.000 0.428 29 V N 1.529 121.313 119.914 -0.218 0.000 2.295 29 V HA -0.303 3.818 4.120 0.002 0.000 0.246 29 V C 2.316 178.387 176.094 -0.039 0.000 1.049 29 V CA 2.050 64.255 62.300 -0.159 0.000 1.024 29 V CB -0.620 31.137 31.823 -0.110 0.000 0.648 29 V HN 0.353 nan 8.190 nan 0.000 0.447 30 K N 0.141 120.532 120.400 -0.015 0.000 2.044 30 K HA -0.295 4.026 4.320 0.002 0.000 0.210 30 K C 2.357 178.993 176.600 0.060 0.000 1.049 30 K CA 2.123 58.421 56.287 0.018 0.000 0.927 30 K CB -0.130 32.380 32.500 0.017 0.000 0.713 30 K HN 0.257 nan 8.250 nan 0.000 0.443 31 R N 0.332 120.895 120.500 0.106 0.000 2.057 31 R HA -0.065 4.276 4.340 0.002 0.000 0.229 31 R C 2.062 178.514 176.300 0.254 0.000 1.136 31 R CA 2.039 58.239 56.100 0.166 0.000 0.952 31 R CB -0.701 29.725 30.300 0.211 0.000 0.848 31 R HN 0.488 nan 8.270 nan 0.000 0.430 32 H N -0.536 118.615 119.070 0.136 0.000 2.352 32 H HA -0.148 4.409 4.556 0.002 0.000 0.299 32 H C 1.845 177.304 175.328 0.217 0.000 1.097 32 H CA 1.265 57.483 56.048 0.283 0.000 1.311 32 H CB -0.029 29.872 29.762 0.230 0.000 1.377 32 H HN 0.124 nan 8.280 nan 0.000 0.504 33 L N 1.469 122.804 121.223 0.186 0.000 2.046 33 L HA -0.165 4.176 4.340 0.002 0.000 0.208 33 L C 2.434 179.306 176.870 0.003 0.000 1.077 33 L CA 1.665 56.506 54.840 0.001 0.000 0.747 33 L CB -0.577 41.408 42.059 -0.124 0.000 0.896 33 L HN 0.250 nan 8.230 nan 0.000 0.432 34 E N -0.834 119.389 120.200 0.038 0.000 2.077 34 E HA -0.230 4.121 4.350 0.002 0.000 0.193 34 E C 1.749 178.349 176.600 0.000 0.000 0.989 34 E CA 1.091 57.507 56.400 0.026 0.000 0.800 34 E CB 0.141 29.860 29.700 0.032 0.000 0.746 34 E HN 0.373 nan 8.360 nan 0.000 0.452 35 K N -0.499 119.886 120.400 -0.025 0.000 2.186 35 K HA -0.052 4.270 4.320 0.002 0.000 0.202 35 K C 1.494 177.916 176.600 -0.296 0.000 1.052 35 K CA 0.843 57.010 56.287 -0.200 0.000 0.965 35 K CB 0.006 32.298 32.500 -0.346 0.000 0.746 35 K HN 0.296 nan 8.250 nan 0.000 0.457 36 Y N -0.126 120.193 120.300 0.031 0.000 2.444 36 Y HA 0.233 4.784 4.550 0.002 0.000 0.249 36 Y C 1.259 177.170 175.900 0.019 0.000 1.134 36 Y CA 0.230 58.348 58.100 0.031 0.000 1.261 36 Y CB 0.546 39.031 38.460 0.041 0.000 1.143 36 Y HN 0.181 nan 8.280 nan 0.000 0.523 37 G N 0.305 109.175 108.800 0.118 0.000 2.698 37 G HA2 -0.264 3.697 3.960 0.002 0.000 0.233 37 G HA3 -0.264 3.697 3.960 0.002 0.000 0.233 37 G C -0.951 173.943 174.900 -0.009 0.000 1.352 37 G CA -0.456 44.694 45.100 0.083 0.000 0.879 37 G HN 0.391 nan 8.290 nan 0.000 0.567 38 H N -0.320 118.792 119.070 0.068 0.000 2.496 38 H HA 0.541 5.098 4.556 0.002 0.000 0.342 38 H C 0.772 176.125 175.328 0.042 0.000 1.170 38 H CA -0.105 55.972 56.048 0.049 0.000 1.274 38 H CB 0.961 30.742 29.762 0.032 0.000 1.538 38 H HN 0.602 nan 8.280 nan 0.000 0.542 39 N N 2.126 120.909 118.700 0.140 0.000 2.739 39 N HA 0.052 4.793 4.740 0.002 0.000 0.266 39 N C -1.101 174.453 175.510 0.074 0.000 1.168 39 N CA -0.107 52.990 53.050 0.079 0.000 1.055 39 N CB -0.321 38.188 38.487 0.038 0.000 1.393 39 N HN 0.767 nan 8.380 nan 0.000 0.514 40 E N 0.323 120.567 120.200 0.074 0.000 2.429 40 E HA 0.280 4.631 4.350 0.002 0.000 0.277 40 E C -1.620 175.007 176.600 0.046 0.000 1.130 40 E CA -0.914 55.516 56.400 0.050 0.000 0.875 40 E CB 0.294 30.019 29.700 0.042 0.000 1.443 40 E HN 0.028 nan 8.360 nan 0.000 0.444 41 L N 1.343 122.584 121.223 0.030 0.000 2.352 41 L HA 0.530 4.872 4.340 0.002 0.000 0.269 41 L C -2.052 174.831 176.870 0.021 0.000 1.034 41 L CA -1.727 53.129 54.840 0.026 0.000 0.806 41 L CB 0.471 42.540 42.059 0.018 0.000 1.244 41 L HN 0.519 nan 8.230 nan 0.000 0.447 42 P HA 0.176 nan 4.420 nan 0.000 0.271 42 P C -1.141 176.163 177.300 0.007 0.000 1.216 42 P CA -0.467 62.642 63.100 0.016 0.000 0.776 42 P CB 0.803 32.514 31.700 0.019 0.000 0.881 43 A N 2.584 125.405 122.820 0.002 0.000 2.454 43 A HA 0.113 4.434 4.320 0.002 0.000 0.260 43 A C 0.573 178.157 177.584 0.001 0.000 1.106 43 A CA -0.379 51.656 52.037 -0.002 0.000 0.780 43 A CB -0.297 18.698 19.000 -0.009 0.000 1.044 43 A HN 0.671 nan 8.150 nan 0.000 0.498 44 E N 1.669 121.870 120.200 0.001 0.000 2.383 44 E HA 0.130 4.481 4.350 0.002 0.000 0.264 44 E C 0.099 176.701 176.600 0.004 0.000 1.050 44 E CA -0.342 56.060 56.400 0.003 0.000 0.896 44 E CB 0.498 30.200 29.700 0.003 0.000 0.982 44 E HN 0.682 nan 8.360 nan 0.000 0.424 45 E N 1.469 121.673 120.200 0.007 0.000 2.481 45 E HA 0.035 4.387 4.350 0.002 0.000 0.263 45 E C -0.431 176.175 176.600 0.010 0.000 0.992 45 E CA 0.669 57.075 56.400 0.009 0.000 0.938 45 E CB 0.752 30.459 29.700 0.011 0.000 0.933 45 E HN 0.510 nan 8.360 nan 0.000 0.453 46 G N 4.537 113.344 108.800 0.012 0.000 4.829 46 G HA2 0.106 4.067 3.960 0.002 0.000 0.320 46 G HA3 0.106 4.067 3.960 0.002 0.000 0.320 46 G C -0.438 174.477 174.900 0.026 0.000 1.445 46 G CA -0.506 44.603 45.100 0.014 0.000 1.151 46 G HN 0.384 nan 8.290 nan 0.000 0.572 47 K N 1.964 122.382 120.400 0.030 0.000 2.231 47 K HA 0.287 4.608 4.320 0.002 0.000 0.255 47 K C 0.917 177.548 176.600 0.051 0.000 1.108 47 K CA -0.306 56.005 56.287 0.040 0.000 0.997 47 K CB 0.254 32.773 32.500 0.031 0.000 1.549 47 K HN 0.488 nan 8.250 nan 0.000 0.419 48 S N 2.254 117.998 115.700 0.073 0.000 2.617 48 S HA 0.040 4.511 4.470 0.002 0.000 0.259 48 S C 1.179 175.845 174.600 0.109 0.000 1.301 48 S CA -0.716 57.541 58.200 0.095 0.000 0.984 48 S CB 0.768 64.043 63.200 0.126 0.000 0.954 48 S HN 0.541 nan 8.310 nan 0.000 0.572 49 L N 0.713 122.006 121.223 0.117 0.000 2.093 49 L HA 0.057 4.398 4.340 0.002 0.000 0.208 49 L C 2.113 179.049 176.870 0.108 0.000 1.085 49 L CA 1.462 56.356 54.840 0.089 0.000 0.755 49 L CB -0.756 41.354 42.059 0.085 0.000 0.904 49 L HN 0.887 nan 8.230 nan 0.000 0.435 50 W N 0.607 121.917 121.300 0.016 0.000 2.358 50 W HA -0.232 4.429 4.660 0.002 0.000 0.303 50 W C 2.159 178.692 176.519 0.024 0.000 1.208 50 W CA 1.913 59.272 57.345 0.023 0.000 1.274 50 W CB -0.117 29.364 29.460 0.035 0.000 1.138 50 W HN 0.367 nan 8.180 nan 0.000 0.515 51 E N 0.137 120.478 120.200 0.235 0.000 2.153 51 E HA -0.220 4.131 4.350 0.002 0.000 0.194 51 E C 2.030 178.652 176.600 0.036 0.000 0.988 51 E CA 1.228 57.715 56.400 0.145 0.000 0.811 51 E CB -0.014 29.765 29.700 0.132 0.000 0.746 51 E HN 0.189 nan 8.360 nan 0.000 0.466 52 L N -0.565 120.663 121.223 0.009 0.000 2.200 52 L HA -0.050 4.291 4.340 0.002 0.000 0.200 52 L C 2.193 179.030 176.870 -0.056 0.000 1.072 52 L CA 0.692 55.525 54.840 -0.012 0.000 0.787 52 L CB -0.486 41.569 42.059 -0.007 0.000 0.957 52 L HN -0.023 nan 8.230 nan 0.000 0.459 53 V N -1.040 118.801 119.914 -0.122 0.000 3.041 53 V HA -0.068 4.053 4.120 0.002 0.000 0.260 53 V C 1.697 177.632 176.094 -0.265 0.000 1.105 53 V CA 1.099 63.275 62.300 -0.207 0.000 1.125 53 V CB -0.080 31.610 31.823 -0.222 0.000 0.730 53 V HN 0.211 nan 8.190 nan 0.000 0.479 54 I N -1.008 119.355 120.570 -0.344 0.000 3.818 54 I HA 0.092 4.263 4.170 0.002 0.000 0.242 54 I C 2.216 178.237 176.117 -0.160 0.000 1.111 54 I CA 0.674 61.724 61.300 -0.416 0.000 1.576 54 I CB -0.474 36.807 38.000 -1.199 0.000 1.572 54 I HN -0.002 nan 8.210 nan 0.000 0.450 55 E N 0.879 120.996 120.200 -0.139 0.000 2.049 55 E HA -0.297 4.055 4.350 0.002 0.000 0.198 55 E C 2.035 178.640 176.600 0.008 0.000 1.007 55 E CA 1.664 58.064 56.400 -0.000 0.000 0.809 55 E CB -0.224 29.524 29.700 0.080 0.000 0.749 55 E HN 0.516 nan 8.360 nan 0.000 0.450 56 Q N -0.308 119.504 119.800 0.020 0.000 2.119 56 Q HA -0.146 4.196 4.340 0.002 0.000 0.201 56 Q C 2.108 178.145 176.000 0.062 0.000 0.972 56 Q CA 0.900 56.723 55.803 0.033 0.000 0.847 56 Q CB -0.196 28.563 28.738 0.035 0.000 0.903 56 Q HN 0.247 nan 8.270 nan 0.000 0.433 57 F N 2.129 122.022 119.950 -0.096 0.000 2.134 57 F HA -0.172 4.356 4.527 0.002 0.000 0.299 57 F C 2.132 177.878 175.800 -0.090 0.000 1.097 57 F CA 1.705 59.646 58.000 -0.099 0.000 1.264 57 F CB -0.153 38.765 39.000 -0.136 0.000 1.001 57 F HN 0.035 nan 8.300 nan 0.000 0.479 58 E N -0.397 119.657 120.200 -0.243 0.000 2.150 58 E HA -0.237 4.114 4.350 0.002 0.000 0.193 58 E C 1.901 178.363 176.600 -0.231 0.000 0.985 58 E CA 1.219 57.418 56.400 -0.336 0.000 0.814 58 E CB -0.310 29.284 29.700 -0.177 0.000 0.752 58 E HN 0.464 nan 8.360 nan 0.000 0.466 59 D N 0.374 120.696 120.400 -0.130 0.000 2.084 59 D HA -0.197 4.444 4.640 0.002 0.000 0.194 59 D C 2.073 178.310 176.300 -0.105 0.000 0.990 59 D CA 1.070 55.018 54.000 -0.086 0.000 0.826 59 D CB -0.315 40.462 40.800 -0.038 0.000 0.971 59 D HN 0.263 nan 8.370 nan 0.000 0.453 60 L N 0.731 121.894 121.223 -0.100 0.000 1.997 60 L HA -0.175 4.166 4.340 0.002 0.000 0.216 60 L C 2.416 179.203 176.870 -0.139 0.000 1.074 60 L CA 1.714 56.504 54.840 -0.084 0.000 0.763 60 L CB -1.060 40.981 42.059 -0.030 0.000 0.890 60 L HN 0.202 nan 8.230 nan 0.000 0.434 61 L N -0.646 120.412 121.223 -0.275 0.000 1.997 61 L HA -0.266 4.075 4.340 0.002 0.000 0.216 61 L C 2.650 179.399 176.870 -0.202 0.000 1.074 61 L CA 2.048 56.703 54.840 -0.309 0.000 0.763 61 L CB -1.034 40.722 42.059 -0.505 0.000 0.890 61 L HN 0.494 nan 8.230 nan 0.000 0.434 62 V N -2.377 117.432 119.914 -0.175 0.000 2.867 62 V HA -0.211 3.910 4.120 0.002 0.000 0.260 62 V C 2.382 178.424 176.094 -0.087 0.000 1.099 62 V CA 1.364 63.591 62.300 -0.121 0.000 1.122 62 V CB -0.682 31.083 31.823 -0.096 0.000 0.708 62 V HN 0.393 nan 8.190 nan 0.000 0.490 63 R N 0.946 121.399 120.500 -0.077 0.000 2.062 63 R HA 0.203 4.544 4.340 0.002 0.000 0.226 63 R C 2.510 178.791 176.300 -0.033 0.000 1.125 63 R CA 1.720 57.788 56.100 -0.052 0.000 0.966 63 R CB -0.502 29.772 30.300 -0.043 0.000 0.861 63 R HN 0.730 nan 8.270 nan 0.000 0.433 64 I N -0.464 120.095 120.570 -0.019 0.000 2.614 64 I HA -0.141 4.030 4.170 0.002 0.000 0.258 64 I C 2.065 178.226 176.117 0.073 0.000 1.189 64 I CA 1.038 62.365 61.300 0.044 0.000 1.462 64 I CB -0.227 37.832 38.000 0.098 0.000 1.092 64 I HN 0.049 nan 8.210 nan 0.000 0.442 65 L N 1.224 122.438 121.223 -0.016 0.000 2.027 65 L HA -0.082 4.259 4.340 0.002 0.000 0.206 65 L C 2.230 179.087 176.870 -0.022 0.000 1.074 65 L CA 1.694 56.507 54.840 -0.044 0.000 0.745 65 L CB -0.742 41.251 42.059 -0.110 0.000 0.898 65 L HN 0.322 nan 8.230 nan 0.000 0.433 66 L N -0.915 120.283 121.223 -0.041 0.000 2.141 66 L HA -0.151 4.190 4.340 0.002 0.000 0.209 66 L C 2.279 179.126 176.870 -0.038 0.000 1.094 66 L CA 1.447 56.253 54.840 -0.057 0.000 0.763 66 L CB -0.651 41.364 42.059 -0.074 0.000 0.908 66 L HN 0.377 nan 8.230 nan 0.000 0.437 67 L N -0.674 120.542 121.223 -0.013 0.000 2.056 67 L HA -0.123 4.218 4.340 0.002 0.000 0.207 67 L C 2.421 179.302 176.870 0.018 0.000 1.078 67 L CA 2.012 56.850 54.840 -0.003 0.000 0.749 67 L CB -1.064 40.995 42.059 0.001 0.000 0.901 67 L HN 0.380 nan 8.230 nan 0.000 0.433 68 A N -0.060 122.795 122.820 0.059 0.000 1.930 68 A HA -0.093 4.228 4.320 0.002 0.000 0.217 68 A C 2.471 180.088 177.584 0.056 0.000 1.175 68 A CA 1.629 53.716 52.037 0.083 0.000 0.627 68 A CB -0.725 18.409 19.000 0.223 0.000 0.815 68 A HN 0.556 nan 8.150 nan 0.000 0.443 69 A N -1.074 121.765 122.820 0.032 0.000 1.933 69 A HA -0.156 4.165 4.320 0.002 0.000 0.218 69 A C 2.260 179.877 177.584 0.055 0.000 1.175 69 A CA 1.661 53.711 52.037 0.022 0.000 0.628 69 A CB -1.179 17.799 19.000 -0.037 0.000 0.814 69 A HN 0.590 nan 8.150 nan 0.000 0.444 70 C N -0.403 118.919 119.300 0.037 0.000 2.450 70 C HA -0.014 4.448 4.460 0.002 0.000 0.279 70 C C 2.523 177.603 174.990 0.150 0.000 1.335 70 C CA 0.416 59.499 59.018 0.107 0.000 1.749 70 C CB -1.059 26.704 27.740 0.039 0.000 1.963 70 C HN 0.566 nan 8.230 nan 0.000 0.501 71 I N 2.279 122.895 120.570 0.077 0.000 2.127 71 I HA -0.160 4.011 4.170 0.002 0.000 0.241 71 I C 2.671 178.835 176.117 0.079 0.000 1.075 71 I CA 2.421 63.749 61.300 0.047 0.000 1.334 71 I CB -1.586 36.411 38.000 -0.005 0.000 1.040 71 I HN 0.434 nan 8.210 nan 0.000 0.405 72 S N 0.557 116.317 115.700 0.099 0.000 2.453 72 S HA -0.157 4.314 4.470 0.002 0.000 0.231 72 S C 1.983 176.711 174.600 0.214 0.000 1.005 72 S CA 0.390 58.663 58.200 0.120 0.000 0.949 72 S CB -0.941 62.323 63.200 0.106 0.000 0.774 72 S HN 0.370 nan 8.310 nan 0.000 0.510 73 F N 2.604 122.593 119.950 0.065 0.000 2.234 73 F HA 0.099 4.627 4.527 0.002 0.000 0.299 73 F C 2.017 177.907 175.800 0.150 0.000 1.087 73 F CA 0.525 58.578 58.000 0.089 0.000 1.340 73 F CB -0.487 38.534 39.000 0.035 0.000 1.031 73 F HN 0.100 nan 8.300 nan 0.000 0.500 74 V N 0.297 120.267 119.914 0.093 0.000 2.488 74 V HA -0.218 3.903 4.120 0.002 0.000 0.246 74 V C 2.436 178.679 176.094 0.248 0.000 1.046 74 V CA 1.429 63.766 62.300 0.062 0.000 1.053 74 V CB -0.492 31.381 31.823 0.083 0.000 0.679 74 V HN 0.300 nan 8.190 nan 0.000 0.458 75 L N 0.414 121.749 121.223 0.187 0.000 2.201 75 L HA -0.075 4.266 4.340 0.002 0.000 0.212 75 L C 2.473 179.488 176.870 0.242 0.000 1.105 75 L CA 1.263 56.223 54.840 0.199 0.000 0.775 75 L CB -0.673 41.424 42.059 0.064 0.000 0.913 75 L HN 0.352 nan 8.230 nan 0.000 0.440 76 A N -1.428 121.511 122.820 0.198 0.000 2.248 76 A HA -0.202 4.119 4.320 0.002 0.000 0.210 76 A C 1.865 179.544 177.584 0.159 0.000 1.174 76 A CA 0.602 52.738 52.037 0.166 0.000 0.750 76 A CB -0.664 18.454 19.000 0.197 0.000 0.780 76 A HN 0.663 nan 8.150 nan 0.000 0.478 77 W N -1.368 119.953 121.300 0.034 0.000 2.630 77 W HA 0.168 4.829 4.660 0.002 0.000 0.275 77 W C 0.973 177.430 176.519 -0.105 0.000 1.192 77 W CA 0.660 57.958 57.345 -0.079 0.000 1.410 77 W CB 0.036 29.383 29.460 -0.188 0.000 1.075 77 W HN 0.229 nan 8.180 nan 0.000 0.581 78 F N 1.547 121.596 119.950 0.164 0.000 2.771 78 F HA 0.020 4.548 4.527 0.002 0.000 0.299 78 F C 1.227 176.964 175.800 -0.106 0.000 1.177 78 F CA 0.830 58.843 58.000 0.023 0.000 1.450 78 F CB -0.727 38.366 39.000 0.154 0.000 1.114 78 F HN -0.169 nan 8.300 nan 0.000 0.587 79 E N 1.853 122.075 120.200 0.038 0.000 2.003 79 E HA -0.059 4.292 4.350 0.002 0.000 0.279 79 E C 1.079 177.610 176.600 -0.115 0.000 1.132 79 E CA -0.045 56.349 56.400 -0.011 0.000 0.888 79 E CB 0.320 30.027 29.700 0.013 0.000 1.056 79 E HN 0.416 nan 8.360 nan 0.000 0.399 80 E N 3.136 123.274 120.200 -0.103 0.000 2.463 80 E HA -0.062 4.289 4.350 0.002 0.000 0.201 80 E C 0.793 177.329 176.600 -0.106 0.000 1.045 80 E CA 0.310 56.628 56.400 -0.137 0.000 0.872 80 E CB 0.049 29.692 29.700 -0.094 0.000 0.797 80 E HN 0.693 nan 8.360 nan 0.000 0.538 81 G N 0.864 109.619 108.800 -0.074 0.000 2.661 81 G HA2 -0.078 3.883 3.960 0.002 0.000 0.272 81 G HA3 -0.078 3.883 3.960 0.002 0.000 0.272 81 G C -0.588 174.269 174.900 -0.073 0.000 1.296 81 G CA -0.585 44.481 45.100 -0.057 0.000 0.998 81 G HN 0.196 nan 8.290 nan 0.000 0.553 82 E N 0.777 120.943 120.200 -0.058 0.000 2.376 82 E HA 0.146 4.497 4.350 0.002 0.000 0.266 82 E C 0.403 176.962 176.600 -0.068 0.000 1.009 82 E CA -0.086 56.275 56.400 -0.064 0.000 0.902 82 E CB 0.463 30.133 29.700 -0.051 0.000 0.972 82 E HN 0.535 nan 8.360 nan 0.000 0.439 83 E N 2.832 122.978 120.200 -0.090 0.000 2.406 83 E HA -0.065 4.286 4.350 0.002 0.000 0.247 83 E C 0.075 176.627 176.600 -0.080 0.000 1.160 83 E CA 0.065 56.407 56.400 -0.097 0.000 0.950 83 E CB -0.003 29.617 29.700 -0.133 0.000 0.993 83 E HN 0.397 nan 8.360 nan 0.000 0.472 84 T N 2.456 116.989 114.554 -0.035 0.000 2.667 84 T HA 0.138 4.489 4.350 0.002 0.000 0.305 84 T C 0.992 175.678 174.700 -0.023 0.000 1.022 84 T CA -0.271 61.823 62.100 -0.009 0.000 0.995 84 T CB 0.379 69.271 68.868 0.041 0.000 1.026 84 T HN 0.530 nan 8.240 nan 0.000 0.527 85 I N -0.036 120.538 120.570 0.007 0.000 4.547 85 I HA 0.067 4.238 4.170 0.002 0.000 0.303 85 I C 2.447 178.621 176.117 0.095 0.000 1.188 85 I CA 0.385 61.687 61.300 0.004 0.000 1.320 85 I CB -1.374 36.591 38.000 -0.058 0.000 1.495 85 I HN 0.595 nan 8.210 nan 0.000 0.462 86 T N 2.136 116.718 114.554 0.047 0.000 2.643 86 T HA -0.072 4.279 4.350 0.002 0.000 0.264 86 T C 1.849 176.580 174.700 0.052 0.000 1.045 86 T CA 1.850 63.963 62.100 0.023 0.000 1.155 86 T CB -0.303 68.557 68.868 -0.012 0.000 0.863 86 T HN 0.338 nan 8.240 nan 0.000 0.420 87 A N 0.358 123.228 122.820 0.084 0.000 2.248 87 A HA 0.106 4.427 4.320 0.002 0.000 0.210 87 A C 1.764 179.468 177.584 0.200 0.000 1.174 87 A CA 0.598 52.701 52.037 0.110 0.000 0.750 87 A CB -0.974 18.094 19.000 0.113 0.000 0.780 87 A HN 0.566 nan 8.150 nan 0.000 0.478 88 F N -0.713 119.282 119.950 0.076 0.000 2.569 88 F HA 0.103 4.631 4.527 0.002 0.000 0.295 88 F C 1.314 177.101 175.800 -0.022 0.000 1.115 88 F CA 0.998 59.097 58.000 0.166 0.000 1.450 88 F CB 0.560 39.633 39.000 0.121 0.000 1.107 88 F HN -0.005 nan 8.300 nan 0.000 0.563 89 V N 0.173 120.026 119.914 -0.101 0.000 3.578 89 V HA -0.006 4.115 4.120 0.002 0.000 0.290 89 V C 1.895 177.920 176.094 -0.116 0.000 1.376 89 V CA 0.538 62.659 62.300 -0.299 0.000 1.083 89 V CB -0.081 31.626 31.823 -0.194 0.000 0.911 89 V HN 0.327 nan 8.190 nan 0.000 0.433 90 E N 1.645 121.790 120.200 -0.092 0.000 2.033 90 E HA -0.245 4.106 4.350 0.002 0.000 0.199 90 E C -0.418 176.129 176.600 -0.088 0.000 1.011 90 E CA 2.132 58.478 56.400 -0.091 0.000 0.815 90 E CB -0.736 28.939 29.700 -0.042 0.000 0.755 90 E HN 0.440 nan 8.360 nan 0.000 0.451 91 P HA -0.167 nan 4.420 nan 0.000 0.217 91 P C 0.891 178.041 177.300 -0.250 0.000 1.151 91 P CA 1.449 64.393 63.100 -0.259 0.000 0.849 91 P CB -0.151 31.212 31.700 -0.563 0.000 0.787 92 F N -1.219 118.521 119.950 -0.351 0.000 2.128 92 F HA -0.113 4.415 4.527 0.002 0.000 0.295 92 F C 2.371 178.076 175.800 -0.158 0.000 1.100 92 F CA 0.868 58.722 58.000 -0.243 0.000 1.260 92 F CB -1.768 37.087 39.000 -0.242 0.000 1.009 92 F HN -0.285 nan 8.300 nan 0.000 0.476 93 V N 0.519 120.456 119.914 0.039 0.000 2.392 93 V HA -0.283 3.838 4.120 0.002 0.000 0.249 93 V C 2.449 178.537 176.094 -0.010 0.000 1.059 93 V CA 1.206 63.483 62.300 -0.038 0.000 1.051 93 V CB -0.637 31.043 31.823 -0.237 0.000 0.658 93 V HN 0.213 nan 8.190 nan 0.000 0.455 94 I N -0.363 120.181 120.570 -0.043 0.000 2.142 94 I HA -0.233 3.938 4.170 0.002 0.000 0.240 94 I C 2.421 178.525 176.117 -0.021 0.000 1.078 94 I CA 1.725 63.008 61.300 -0.029 0.000 1.343 94 I CB -1.221 36.740 38.000 -0.064 0.000 1.046 94 I HN 0.310 nan 8.210 nan 0.000 0.405 95 L N 0.296 121.481 121.223 -0.062 0.000 2.079 95 L HA -0.233 4.109 4.340 0.002 0.000 0.210 95 L C 2.480 179.344 176.870 -0.010 0.000 1.081 95 L CA 1.334 56.136 54.840 -0.063 0.000 0.752 95 L CB -0.323 41.659 42.059 -0.128 0.000 0.896 95 L HN 0.131 nan 8.230 nan 0.000 0.433 96 L N -0.406 120.830 121.223 0.021 0.000 1.943 96 L HA -0.247 4.094 4.340 0.002 0.000 0.215 96 L C 2.319 179.245 176.870 0.093 0.000 1.074 96 L CA 1.997 56.877 54.840 0.067 0.000 0.759 96 L CB -0.628 41.491 42.059 0.101 0.000 0.888 96 L HN 0.188 nan 8.230 nan 0.000 0.433 97 I N -0.507 120.143 120.570 0.133 0.000 2.185 97 I HA -0.349 3.822 4.170 0.002 0.000 0.246 97 I C 2.467 178.636 176.117 0.086 0.000 1.088 97 I CA 1.522 62.917 61.300 0.158 0.000 1.347 97 I CB -0.679 37.451 38.000 0.216 0.000 1.041 97 I HN 0.260 nan 8.210 nan 0.000 0.415 98 L N -0.591 120.663 121.223 0.051 0.000 2.127 98 L HA -0.258 4.083 4.340 0.002 0.000 0.211 98 L C 2.391 179.278 176.870 0.028 0.000 1.089 98 L CA 0.908 55.762 54.840 0.023 0.000 0.757 98 L CB -0.420 41.637 42.059 -0.003 0.000 0.899 98 L HN 0.254 nan 8.230 nan 0.000 0.434 99 I N -0.149 120.442 120.570 0.035 0.000 2.202 99 I HA -0.231 3.940 4.170 0.002 0.000 0.242 99 I C 2.844 178.989 176.117 0.047 0.000 1.091 99 I CA 1.554 62.876 61.300 0.037 0.000 1.368 99 I CB -1.456 36.566 38.000 0.038 0.000 1.058 99 I HN 0.178 nan 8.210 nan 0.000 0.410 100 A N 1.032 123.888 122.820 0.059 0.000 1.908 100 A HA -0.265 4.057 4.320 0.002 0.000 0.218 100 A C 2.153 179.766 177.584 0.048 0.000 1.181 100 A CA 2.245 54.316 52.037 0.057 0.000 0.627 100 A CB -1.198 17.846 19.000 0.072 0.000 0.818 100 A HN 0.541 nan 8.150 nan 0.000 0.445 101 N N -0.092 118.633 118.700 0.043 0.000 2.069 101 N HA -0.144 4.597 4.740 0.002 0.000 0.191 101 N C 2.025 177.569 175.510 0.056 0.000 1.031 101 N CA 1.096 54.170 53.050 0.040 0.000 0.852 101 N CB -0.269 38.234 38.487 0.026 0.000 1.018 101 N HN 0.518 nan 8.380 nan 0.000 0.423 102 A N 1.645 124.495 122.820 0.050 0.000 1.908 102 A HA -0.140 4.181 4.320 0.002 0.000 0.218 102 A C 2.029 179.660 177.584 0.079 0.000 1.181 102 A CA 1.073 53.145 52.037 0.057 0.000 0.627 102 A CB -0.496 18.529 19.000 0.043 0.000 0.818 102 A HN 0.161 nan 8.150 nan 0.000 0.445 103 I N 0.008 120.623 120.570 0.074 0.000 2.208 103 I HA -0.195 3.977 4.170 0.002 0.000 0.245 103 I C 2.479 178.681 176.117 0.141 0.000 1.097 103 I CA 1.288 62.640 61.300 0.086 0.000 1.363 103 I CB -1.497 36.533 38.000 0.052 0.000 1.051 103 I HN 0.150 nan 8.210 nan 0.000 0.413 104 V N 1.171 121.167 119.914 0.137 0.000 2.453 104 V HA -0.122 3.999 4.120 0.002 0.000 0.247 104 V C 2.691 178.923 176.094 0.230 0.000 1.048 104 V CA 1.797 64.223 62.300 0.210 0.000 1.049 104 V CB -1.333 30.583 31.823 0.154 0.000 0.672 104 V HN 0.496 nan 8.190 nan 0.000 0.457 105 G N -0.509 108.382 108.800 0.152 0.000 2.421 105 G HA2 -0.234 3.727 3.960 0.002 0.000 0.216 105 G HA3 -0.234 3.727 3.960 0.002 0.000 0.216 105 G C 1.789 176.765 174.900 0.127 0.000 1.171 105 G CA 1.172 46.346 45.100 0.123 0.000 0.775 105 G HN 0.359 nan 8.290 nan 0.000 0.543 106 V N 0.385 120.385 119.914 0.144 0.000 2.427 106 V HA -0.068 4.053 4.120 0.002 0.000 0.248 106 V C 2.146 178.363 176.094 0.205 0.000 1.051 106 V CA 1.956 64.342 62.300 0.142 0.000 1.048 106 V CB -0.342 31.561 31.823 0.133 0.000 0.666 106 V HN 0.656 nan 8.190 nan 0.000 0.456 107 W N 0.419 121.753 121.300 0.056 0.000 2.355 107 W HA -0.257 4.404 4.660 0.002 0.000 0.309 107 W C 2.211 178.777 176.519 0.078 0.000 1.206 107 W CA 1.788 59.176 57.345 0.071 0.000 1.284 107 W CB -0.157 29.353 29.460 0.083 0.000 1.145 107 W HN 0.343 nan 8.180 nan 0.000 0.502 108 Q N 0.290 120.076 119.800 -0.023 0.000 2.084 108 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 108 Q C 2.034 177.940 176.000 -0.157 0.000 0.978 108 Q CA 1.856 57.556 55.803 -0.172 0.000 0.844 108 Q CB -0.538 28.183 28.738 -0.029 0.000 0.898 108 Q HN 0.443 nan 8.270 nan 0.000 0.426 109 E N 0.549 120.715 120.200 -0.058 0.000 2.204 109 E HA -0.158 4.193 4.350 0.002 0.000 0.194 109 E C 1.977 178.537 176.600 -0.066 0.000 0.989 109 E CA 0.455 56.825 56.400 -0.049 0.000 0.824 109 E CB -0.041 29.659 29.700 0.000 0.000 0.756 109 E HN 0.200 nan 8.360 nan 0.000 0.477 110 R N 0.875 121.334 120.500 -0.068 0.000 2.153 110 R HA -0.017 4.324 4.340 0.002 0.000 0.218 110 R C 1.686 177.892 176.300 -0.157 0.000 1.072 110 R CA 0.836 56.899 56.100 -0.061 0.000 0.990 110 R CB 0.066 30.386 30.300 0.033 0.000 0.889 110 R HN 0.180 nan 8.270 nan 0.000 0.452 111 N N -0.100 118.418 118.700 -0.302 0.000 2.142 111 N HA -0.126 4.615 4.740 0.002 0.000 0.186 111 N C 1.723 177.122 175.510 -0.185 0.000 1.023 111 N CA 0.876 53.731 53.050 -0.325 0.000 0.852 111 N CB -0.034 38.193 38.487 -0.434 0.000 0.998 111 N HN 0.191 nan 8.380 nan 0.000 0.424 112 A N 2.311 125.030 122.820 -0.167 0.000 1.858 112 A HA -0.218 4.103 4.320 0.002 0.000 0.216 112 A C 2.059 179.587 177.584 -0.092 0.000 1.190 112 A CA 1.660 53.618 52.037 -0.131 0.000 0.617 112 A CB -0.661 18.262 19.000 -0.128 0.000 0.827 112 A HN 0.532 nan 8.150 nan 0.000 0.443 113 E N 0.006 120.162 120.200 -0.074 0.000 2.153 113 E HA -0.214 4.137 4.350 0.002 0.000 0.194 113 E C 1.636 178.211 176.600 -0.041 0.000 0.988 113 E CA 1.400 57.771 56.400 -0.048 0.000 0.811 113 E CB -0.595 29.086 29.700 -0.031 0.000 0.746 113 E HN 0.771 nan 8.360 nan 0.000 0.466 114 N N 1.066 119.736 118.700 -0.049 0.000 2.171 114 N HA -0.071 4.670 4.740 0.002 0.000 0.184 114 N C 2.010 177.500 175.510 -0.033 0.000 1.021 114 N CA 0.850 53.880 53.050 -0.033 0.000 0.854 114 N CB -0.144 38.321 38.487 -0.037 0.000 0.994 114 N HN 0.258 nan 8.380 nan 0.000 0.426 115 A N 1.572 124.360 122.820 -0.054 0.000 1.902 115 A HA -0.109 4.212 4.320 0.002 0.000 0.217 115 A C 2.037 179.600 177.584 -0.035 0.000 1.181 115 A CA 0.958 52.966 52.037 -0.047 0.000 0.623 115 A CB -0.412 18.546 19.000 -0.071 0.000 0.818 115 A HN 0.137 nan 8.150 nan 0.000 0.443 116 I N -0.053 120.491 120.570 -0.043 0.000 2.179 116 I HA -0.206 3.965 4.170 0.002 0.000 0.242 116 I C 2.464 178.572 176.117 -0.014 0.000 1.088 116 I CA 2.020 63.299 61.300 -0.034 0.000 1.357 116 I CB -1.344 36.631 38.000 -0.041 0.000 1.051 116 I HN 0.463 nan 8.210 nan 0.000 0.409 117 E N 1.739 121.931 120.200 -0.013 0.000 2.085 117 E HA -0.181 4.170 4.350 0.002 0.000 0.194 117 E C 2.006 178.616 176.600 0.016 0.000 0.994 117 E CA 1.770 58.168 56.400 -0.004 0.000 0.801 117 E CB -0.282 29.415 29.700 -0.005 0.000 0.743 117 E HN 0.381 nan 8.360 nan 0.000 0.453 118 A N -0.051 122.785 122.820 0.027 0.000 2.259 118 A HA -0.029 4.292 4.320 0.002 0.000 0.212 118 A C 1.946 179.611 177.584 0.135 0.000 1.178 118 A CA 0.704 52.781 52.037 0.067 0.000 0.734 118 A CB -0.511 18.527 19.000 0.064 0.000 0.774 118 A HN 0.367 nan 8.150 nan 0.000 0.481 119 L N -1.680 119.600 121.223 0.096 0.000 2.298 119 L HA 0.017 4.358 4.340 0.002 0.000 0.209 119 L C 2.188 179.145 176.870 0.145 0.000 1.084 119 L CA 0.501 55.424 54.840 0.139 0.000 0.816 119 L CB -0.189 41.897 42.059 0.046 0.000 0.967 119 L HN 0.286 nan 8.230 nan 0.000 0.460 120 K N 0.318 120.755 120.400 0.062 0.000 2.286 120 K HA -0.270 4.051 4.320 0.002 0.000 0.203 120 K C 1.809 178.411 176.600 0.003 0.000 1.045 120 K CA 1.414 57.716 56.287 0.024 0.000 0.935 120 K CB -0.031 32.463 32.500 -0.009 0.000 0.737 120 K HN 0.332 nan 8.250 nan 0.000 0.460 121 E N 0.140 120.324 120.200 -0.026 0.000 2.150 121 E HA -0.186 4.165 4.350 0.002 0.000 0.193 121 E C 0.927 177.348 176.600 -0.298 0.000 0.985 121 E CA 1.119 57.393 56.400 -0.211 0.000 0.814 121 E CB 0.056 29.522 29.700 -0.390 0.000 0.752 121 E HN 0.411 nan 8.360 nan 0.000 0.466 122 Y N 0.776 121.065 120.300 -0.018 0.000 2.466 122 Y HA 0.195 4.747 4.550 0.002 0.000 0.272 122 Y C 0.567 176.456 175.900 -0.019 0.000 1.169 122 Y CA -0.042 58.047 58.100 -0.018 0.000 1.285 122 Y CB 0.057 38.505 38.460 -0.020 0.000 1.078 122 Y HN 0.017 nan 8.280 nan 0.000 0.523 123 E N 4.012 124.269 120.200 0.095 0.000 2.452 123 E HA -0.008 4.343 4.350 0.002 0.000 0.261 123 E C -2.254 174.362 176.600 0.028 0.000 0.987 123 E CA -1.903 54.527 56.400 0.051 0.000 0.926 123 E CB 0.427 30.143 29.700 0.026 0.000 0.934 123 E HN 0.014 nan 8.360 nan 0.000 0.452 124 P HA -0.096 nan 4.420 nan 0.000 0.262 124 P C -1.044 176.255 177.300 -0.001 0.000 1.182 124 P CA 0.658 63.764 63.100 0.010 0.000 0.761 124 P CB 0.447 32.152 31.700 0.007 0.000 0.795 125 E N 3.633 123.827 120.200 -0.010 0.000 1.964 125 E HA 0.176 4.527 4.350 0.002 0.000 0.264 125 E C 0.008 176.596 176.600 -0.021 0.000 1.120 125 E CA -0.139 56.250 56.400 -0.019 0.000 1.061 125 E CB -0.161 29.522 29.700 -0.029 0.000 1.190 125 E HN 0.461 nan 8.360 nan 0.000 0.459 126 M N 1.854 121.445 119.600 -0.015 0.000 3.176 126 M HA 0.278 4.759 4.480 0.002 0.000 0.284 126 M C 0.146 176.434 176.300 -0.020 0.000 1.392 126 M CA -0.159 55.132 55.300 -0.016 0.000 1.520 126 M CB 0.873 33.467 32.600 -0.010 0.000 1.100 126 M HN 0.354 nan 8.290 nan 0.000 0.555 127 G N 2.175 110.958 108.800 -0.029 0.000 2.174 127 G HA2 0.228 4.190 3.960 0.002 0.000 0.312 127 G HA3 0.228 4.190 3.960 0.002 0.000 0.312 127 G C -1.490 173.379 174.900 -0.053 0.000 1.663 127 G CA -1.061 44.018 45.100 -0.035 0.000 0.920 127 G HN 0.447 nan 8.290 nan 0.000 0.664 128 K N 0.559 120.923 120.400 -0.060 0.000 2.164 128 K HA 0.846 5.167 4.320 0.002 0.000 0.258 128 K C -0.037 176.500 176.600 -0.105 0.000 0.951 128 K CA -1.050 55.176 56.287 -0.100 0.000 0.844 128 K CB 2.857 35.295 32.500 -0.104 0.000 1.099 128 K HN 1.024 nan 8.250 nan 0.000 0.435 129 V N -1.237 118.574 119.914 -0.173 0.000 3.242 129 V HA 0.489 4.610 4.120 0.002 0.000 0.298 129 V C -1.959 173.989 176.094 -0.244 0.000 1.352 129 V CA -1.132 61.097 62.300 -0.119 0.000 1.052 129 V CB 1.173 32.961 31.823 -0.059 0.000 1.101 129 V HN 0.677 nan 8.190 nan 0.000 0.446 130 Y N 1.972 122.247 120.300 -0.042 0.000 2.328 130 Y HA 0.887 5.438 4.550 0.002 0.000 0.337 130 Y C 0.502 176.376 175.900 -0.043 0.000 0.966 130 Y CA -0.614 57.464 58.100 -0.037 0.000 1.136 130 Y CB 1.704 40.146 38.460 -0.030 0.000 1.170 130 Y HN 0.557 nan 8.280 nan 0.000 0.470 131 R N 0.873 121.414 120.500 0.068 0.000 2.919 131 R HA 0.606 4.947 4.340 0.002 0.000 0.260 131 R C 0.623 176.943 176.300 0.033 0.000 1.067 131 R CA -0.717 55.397 56.100 0.023 0.000 1.003 131 R CB 1.278 31.566 30.300 -0.020 0.000 1.192 131 R HN 0.735 nan 8.270 nan 0.000 0.488 132 A N 0.727 123.555 122.820 0.014 0.000 2.125 132 A HA -0.147 4.174 4.320 0.002 0.000 0.219 132 A C 1.177 178.768 177.584 0.011 0.000 1.156 132 A CA 1.316 53.362 52.037 0.015 0.000 0.671 132 A CB -0.333 18.670 19.000 0.005 0.000 0.794 132 A HN 0.634 nan 8.150 nan 0.000 0.459 133 D N 0.161 120.562 120.400 0.002 0.000 2.174 133 D HA -0.099 4.542 4.640 0.002 0.000 0.215 133 D C 0.866 177.167 176.300 0.002 0.000 1.021 133 D CA 1.055 55.053 54.000 -0.004 0.000 0.910 133 D CB -0.114 40.677 40.800 -0.015 0.000 1.142 133 D HN 0.402 nan 8.370 nan 0.000 0.473 134 R N 0.562 121.062 120.500 -0.001 0.000 2.500 134 R HA 0.268 4.609 4.340 0.002 0.000 0.277 134 R C 0.760 177.079 176.300 0.032 0.000 1.026 134 R CA -0.304 55.797 56.100 0.003 0.000 1.058 134 R CB 1.034 31.322 30.300 -0.020 0.000 1.078 134 R HN 0.035 nan 8.270 nan 0.000 0.509 135 K N 0.938 121.361 120.400 0.039 0.000 2.596 135 K HA 0.161 4.482 4.320 0.002 0.000 0.211 135 K C -0.444 176.219 176.600 0.104 0.000 1.046 135 K CA 0.154 56.485 56.287 0.074 0.000 1.202 135 K CB 0.495 33.024 32.500 0.049 0.000 0.925 135 K HN 0.392 nan 8.250 nan 0.000 0.486 136 S N 0.108 115.846 115.700 0.063 0.000 2.564 136 S HA 0.161 4.632 4.470 0.002 0.000 0.274 136 S C -0.559 173.929 174.600 -0.186 0.000 1.124 136 S CA -0.823 57.388 58.200 0.018 0.000 0.869 136 S CB 2.516 65.708 63.200 -0.013 0.000 1.105 136 S HN 0.045 nan 8.310 nan 0.000 0.472 137 V N 2.060 121.720 119.914 -0.423 0.000 3.061 137 V HA 0.082 4.203 4.120 0.002 0.000 0.306 137 V C -0.500 175.377 176.094 -0.363 0.000 1.118 137 V CA 1.092 62.943 62.300 -0.749 0.000 1.231 137 V CB 0.729 32.175 31.823 -0.630 0.000 0.956 137 V HN 0.883 nan 8.190 nan 0.000 0.499 138 Q N 4.795 124.398 119.800 -0.327 0.000 2.397 138 Q HA 0.571 4.912 4.340 0.002 0.000 0.275 138 Q C -1.138 174.774 176.000 -0.148 0.000 1.090 138 Q CA -1.013 54.680 55.803 -0.184 0.000 0.809 138 Q CB 2.202 30.855 28.738 -0.141 0.000 1.362 138 Q HN 0.598 nan 8.270 nan 0.000 0.431 139 R N 1.157 121.594 120.500 -0.104 0.000 2.486 139 R HA 0.672 5.013 4.340 0.002 0.000 0.286 139 R C -0.754 175.508 176.300 -0.064 0.000 0.999 139 R CA -0.666 55.386 56.100 -0.080 0.000 0.993 139 R CB 0.984 31.245 30.300 -0.065 0.000 1.084 139 R HN 0.621 nan 8.270 nan 0.000 0.487 140 I N 0.517 121.056 120.570 -0.052 0.000 2.947 140 I HA 0.150 4.321 4.170 0.002 0.000 0.301 140 I C -1.275 174.827 176.117 -0.025 0.000 1.453 140 I CA -0.806 60.470 61.300 -0.039 0.000 0.984 140 I CB 1.545 39.521 38.000 -0.040 0.000 1.333 140 I HN 0.316 nan 8.210 nan 0.000 0.475 141 K N 4.524 124.917 120.400 -0.013 0.000 2.436 141 K HA 0.306 4.627 4.320 0.002 0.000 0.275 141 K C 0.959 177.562 176.600 0.006 0.000 0.999 141 K CA 0.536 56.822 56.287 -0.001 0.000 0.980 141 K CB 0.338 32.844 32.500 0.010 0.000 0.919 141 K HN 0.721 nan 8.250 nan 0.000 0.484 142 A N 3.721 126.544 122.820 0.005 0.000 1.978 142 A HA -0.245 4.076 4.320 0.002 0.000 0.220 142 A C 2.036 179.635 177.584 0.025 0.000 1.170 142 A CA 1.849 53.891 52.037 0.007 0.000 0.636 142 A CB -0.399 18.605 19.000 0.006 0.000 0.810 142 A HN 0.830 nan 8.150 nan 0.000 0.448 143 R N -0.739 119.789 120.500 0.046 0.000 2.189 143 R HA -0.060 4.281 4.340 0.002 0.000 0.218 143 R C 0.198 176.587 176.300 0.147 0.000 1.074 143 R CA 1.571 57.727 56.100 0.094 0.000 0.991 143 R CB -0.536 29.814 30.300 0.082 0.000 0.883 143 R HN 0.255 nan 8.270 nan 0.000 0.457 144 D N 0.863 121.323 120.400 0.099 0.000 2.340 144 D HA 0.169 4.810 4.640 0.002 0.000 0.220 144 D C 0.081 176.378 176.300 -0.006 0.000 1.039 144 D CA 0.312 54.355 54.000 0.071 0.000 0.866 144 D CB 0.205 41.036 40.800 0.052 0.000 0.913 144 D HN 0.245 nan 8.370 nan 0.000 0.523 145 I N 2.082 122.646 120.570 -0.010 0.000 2.347 145 I HA 0.046 4.217 4.170 0.002 0.000 0.294 145 I C 0.254 176.332 176.117 -0.065 0.000 1.090 145 I CA -0.643 60.630 61.300 -0.045 0.000 1.314 145 I CB 0.508 38.483 38.000 -0.041 0.000 1.423 145 I HN -0.190 nan 8.210 nan 0.000 0.503 146 V N 6.242 126.101 119.914 -0.091 0.000 2.539 146 V HA 0.536 4.657 4.120 0.002 0.000 0.292 146 V C -2.267 173.701 176.094 -0.209 0.000 1.045 146 V CA -2.399 59.841 62.300 -0.100 0.000 0.945 146 V CB 0.849 32.653 31.823 -0.032 0.000 0.993 146 V HN 0.478 nan 8.190 nan 0.000 0.464 147 P HA 0.238 nan 4.420 nan 0.000 0.265 147 P C 0.870 177.621 177.300 -0.914 0.000 1.187 147 P CA 1.650 64.392 63.100 -0.596 0.000 0.766 147 P CB 0.996 32.262 31.700 -0.723 0.000 0.820 148 G N 2.799 110.968 108.800 -1.052 0.000 2.493 148 G HA2 -0.180 3.781 3.960 0.002 0.000 0.206 148 G HA3 -0.180 3.781 3.960 0.002 0.000 0.206 148 G C -0.169 174.517 174.900 -0.356 0.000 1.109 148 G CA 0.189 44.673 45.100 -1.026 0.000 0.689 148 G HN 0.719 nan 8.290 nan 0.000 0.516 149 D N 2.221 122.464 120.400 -0.262 0.000 2.362 149 D HA 0.390 5.031 4.640 0.002 0.000 0.238 149 D C 0.725 176.976 176.300 -0.083 0.000 1.212 149 D CA -0.338 53.582 54.000 -0.134 0.000 0.902 149 D CB 0.464 41.196 40.800 -0.113 0.000 1.180 149 D HN 0.328 nan 8.370 nan 0.000 0.445 150 I N 0.724 121.290 120.570 -0.007 0.000 2.371 150 I HA 0.186 4.358 4.170 0.002 0.000 0.290 150 I C 0.123 176.292 176.117 0.087 0.000 1.028 150 I CA -0.754 60.571 61.300 0.041 0.000 1.345 150 I CB 0.621 38.665 38.000 0.073 0.000 1.407 150 I HN 0.215 nan 8.210 nan 0.000 0.501 151 V N 5.866 125.810 119.914 0.049 0.000 2.769 151 V HA 0.440 4.561 4.120 0.002 0.000 0.312 151 V C 0.040 176.180 176.094 0.077 0.000 1.058 151 V CA -0.827 61.499 62.300 0.044 0.000 0.952 151 V CB 2.503 34.320 31.823 -0.010 0.000 1.019 151 V HN 0.749 nan 8.190 nan 0.000 0.445 152 E N 1.975 122.218 120.200 0.071 0.000 2.191 152 E HA 0.613 4.964 4.350 0.002 0.000 0.263 152 E C -1.286 175.329 176.600 0.025 0.000 0.881 152 E CA -0.531 55.918 56.400 0.082 0.000 0.757 152 E CB 2.046 31.837 29.700 0.151 0.000 1.147 152 E HN 0.656 nan 8.360 nan 0.000 0.414 153 V N 1.045 120.967 119.914 0.014 0.000 2.667 153 V HA 1.013 5.134 4.120 0.002 0.000 0.308 153 V C -0.338 175.756 176.094 -0.000 0.000 1.048 153 V CA -0.371 61.928 62.300 -0.002 0.000 0.928 153 V CB 1.182 32.996 31.823 -0.015 0.000 1.004 153 V HN 0.756 nan 8.190 nan 0.000 0.444 154 A N 2.853 125.670 122.820 -0.004 0.000 2.504 154 A HA 0.906 5.228 4.320 0.002 0.000 0.285 154 A C -0.319 177.261 177.584 -0.006 0.000 1.261 154 A CA -0.557 51.478 52.037 -0.003 0.000 0.741 154 A CB 1.407 20.406 19.000 -0.002 0.000 1.327 154 A HN 1.600 nan 8.150 nan 0.000 0.441 155 V N 0.199 120.111 119.914 -0.005 0.000 2.763 155 V HA 0.430 4.551 4.120 0.002 0.000 0.306 155 V C 1.610 177.701 176.094 -0.005 0.000 1.059 155 V CA 1.044 63.341 62.300 -0.005 0.000 1.138 155 V CB -0.039 31.782 31.823 -0.003 0.000 0.940 155 V HN 2.342 nan 8.190 nan 0.000 0.489 156 G N 2.213 111.010 108.800 -0.005 0.000 2.168 156 G HA2 -0.208 3.753 3.960 0.002 0.000 0.263 156 G HA3 -0.208 3.753 3.960 0.002 0.000 0.263 156 G C 0.015 174.911 174.900 -0.006 0.000 0.977 156 G CA 0.343 45.440 45.100 -0.005 0.000 0.659 156 G HN 0.737 nan 8.290 nan 0.000 0.533 157 D N -0.223 120.173 120.400 -0.007 0.000 2.387 157 D HA 0.583 5.225 4.640 0.002 0.000 0.255 157 D C 0.298 176.595 176.300 -0.006 0.000 1.081 157 D CA -0.225 53.770 54.000 -0.008 0.000 0.994 157 D CB 1.371 42.165 40.800 -0.010 0.000 1.127 157 D HN 0.137 nan 8.370 nan 0.000 0.513 158 K N 0.403 120.800 120.400 -0.005 0.000 2.244 158 K HA 0.307 4.628 4.320 0.002 0.000 0.260 158 K C -1.290 175.309 176.600 -0.002 0.000 0.951 158 K CA -0.667 55.619 56.287 -0.001 0.000 0.826 158 K CB 1.435 33.935 32.500 -0.000 0.000 1.108 158 K HN 0.043 nan 8.250 nan 0.000 0.433 159 V N 8.352 128.268 119.914 0.002 0.000 2.425 159 V HA 0.074 4.196 4.120 0.002 0.000 0.276 159 V C -1.301 174.796 176.094 0.004 0.000 1.017 159 V CA -1.031 61.269 62.300 -0.001 0.000 1.062 159 V CB 0.666 32.492 31.823 0.005 0.000 0.997 159 V HN 0.885 nan 8.190 nan 0.000 0.476 160 P HA -0.047 nan 4.420 nan 0.000 0.214 160 P C 0.369 177.670 177.300 0.001 0.000 1.162 160 P CA 1.468 64.566 63.100 -0.003 0.000 0.879 160 P CB 0.625 32.317 31.700 -0.013 0.000 0.786 161 A N -0.978 121.838 122.820 -0.006 0.000 2.530 161 A HA 0.444 4.766 4.320 0.002 0.000 0.288 161 A C -0.985 176.599 177.584 -0.000 0.000 1.172 161 A CA -0.667 51.368 52.037 -0.003 0.000 0.733 161 A CB 0.530 19.514 19.000 -0.026 0.000 1.320 161 A HN -0.135 nan 8.150 nan 0.000 0.419 162 D N 1.198 121.608 120.400 0.017 0.000 2.417 162 D HA 0.358 4.999 4.640 0.002 0.000 0.250 162 D C -0.447 175.833 176.300 -0.034 0.000 1.166 162 D CA 0.857 54.873 54.000 0.027 0.000 0.881 162 D CB 0.589 41.439 40.800 0.083 0.000 1.164 162 D HN 0.253 nan 8.370 nan 0.000 0.467 163 I N 2.021 122.547 120.570 -0.074 0.000 2.608 163 I HA 0.242 4.413 4.170 0.002 0.000 0.295 163 I C 0.301 176.353 176.117 -0.108 0.000 1.049 163 I CA -0.785 60.464 61.300 -0.085 0.000 1.063 163 I CB 1.803 39.756 38.000 -0.078 0.000 1.248 163 I HN 0.076 nan 8.210 nan 0.000 0.424 164 R N 5.130 125.586 120.500 -0.074 0.000 2.265 164 R HA 0.507 4.848 4.340 0.002 0.000 0.319 164 R C -0.601 175.662 176.300 -0.062 0.000 1.006 164 R CA -0.774 55.286 56.100 -0.065 0.000 0.880 164 R CB 0.538 30.823 30.300 -0.026 0.000 1.077 164 R HN 0.539 nan 8.270 nan 0.000 0.454 165 I N 6.490 127.013 120.570 -0.079 0.000 2.517 165 I HA -0.065 4.106 4.170 0.002 0.000 0.285 165 I C 1.470 177.569 176.117 -0.030 0.000 1.106 165 I CA 0.086 61.349 61.300 -0.063 0.000 1.402 165 I CB 0.674 38.624 38.000 -0.085 0.000 1.399 165 I HN 0.483 nan 8.210 nan 0.000 0.535 166 L N 4.093 125.302 121.223 -0.024 0.000 2.200 166 L HA 0.129 4.470 4.340 0.002 0.000 0.200 166 L C 0.907 177.770 176.870 -0.013 0.000 1.072 166 L CA 0.791 55.623 54.840 -0.013 0.000 0.787 166 L CB 0.052 42.100 42.059 -0.018 0.000 0.957 166 L HN 0.617 nan 8.230 nan 0.000 0.459 167 S N -0.570 115.119 115.700 -0.019 0.000 2.603 167 S HA 0.461 4.933 4.470 0.002 0.000 0.274 167 S C -0.914 173.676 174.600 -0.016 0.000 1.168 167 S CA -0.600 57.589 58.200 -0.017 0.000 0.963 167 S CB 1.128 64.310 63.200 -0.029 0.000 1.078 167 S HN 0.081 nan 8.310 nan 0.000 0.477 168 I N 5.170 125.735 120.570 -0.009 0.000 2.287 168 I HA 0.278 4.449 4.170 0.002 0.000 0.290 168 I C 0.727 176.840 176.117 -0.005 0.000 1.069 168 I CA -0.550 60.745 61.300 -0.007 0.000 1.237 168 I CB 1.147 39.146 38.000 -0.002 0.000 1.418 168 I HN 0.574 nan 8.210 nan 0.000 0.481 169 K N 2.984 123.381 120.400 -0.006 0.000 2.209 169 K HA -0.063 4.258 4.320 0.002 0.000 0.204 169 K C 1.007 177.607 176.600 -0.001 0.000 1.048 169 K CA 0.592 56.877 56.287 -0.004 0.000 0.940 169 K CB -0.093 32.408 32.500 0.000 0.000 0.729 169 K HN 0.704 nan 8.250 nan 0.000 0.451 170 S N -1.482 114.218 115.700 -0.000 0.000 2.713 170 S HA 0.145 4.616 4.470 0.002 0.000 0.277 170 S C 1.414 176.015 174.600 0.002 0.000 1.168 170 S CA -0.106 58.094 58.200 0.001 0.000 0.994 170 S CB 1.161 64.362 63.200 0.001 0.000 1.054 170 S HN 0.295 nan 8.310 nan 0.000 0.555 171 T N -1.834 112.721 114.554 0.003 0.000 2.951 171 T HA 0.147 4.498 4.350 0.002 0.000 0.268 171 T C 0.866 175.569 174.700 0.006 0.000 1.073 171 T CA 1.061 63.164 62.100 0.004 0.000 1.134 171 T CB -1.044 67.827 68.868 0.004 0.000 0.884 171 T HN 1.090 nan 8.240 nan 0.000 0.479 172 T N -0.600 113.956 114.554 0.004 0.000 2.894 172 T HA 0.653 5.005 4.350 0.002 0.000 0.309 172 T C -1.611 173.089 174.700 -0.000 0.000 1.208 172 T CA -1.093 61.010 62.100 0.005 0.000 1.016 172 T CB 2.008 70.880 68.868 0.006 0.000 1.192 172 T HN 0.197 nan 8.240 nan 0.000 0.491 173 L N 1.375 122.596 121.223 -0.004 0.000 2.372 173 L HA 0.669 5.010 4.340 0.002 0.000 0.273 173 L C -0.490 176.370 176.870 -0.016 0.000 0.989 173 L CA -0.493 54.339 54.840 -0.013 0.000 0.841 173 L CB 1.321 43.367 42.059 -0.023 0.000 1.225 173 L HN 0.729 nan 8.230 nan 0.000 0.414 174 R N 3.346 123.839 120.500 -0.012 0.000 2.532 174 R HA 0.887 5.228 4.340 0.002 0.000 0.295 174 R C -1.310 174.982 176.300 -0.013 0.000 0.968 174 R CA -0.799 55.295 56.100 -0.010 0.000 0.916 174 R CB 2.225 32.523 30.300 -0.004 0.000 1.124 174 R HN 0.465 nan 8.270 nan 0.000 0.463 175 V N 0.834 120.741 119.914 -0.011 0.000 2.962 175 V HA 0.234 4.355 4.120 0.002 0.000 0.313 175 V C -0.846 175.252 176.094 0.006 0.000 1.099 175 V CA -0.902 61.393 62.300 -0.007 0.000 0.971 175 V CB 2.281 34.094 31.823 -0.018 0.000 1.028 175 V HN 0.664 nan 8.190 nan 0.000 0.430 176 D N 1.948 122.355 120.400 0.011 0.000 2.473 176 D HA 0.315 4.956 4.640 0.002 0.000 0.226 176 D C 0.235 176.552 176.300 0.028 0.000 1.089 176 D CA -0.136 53.873 54.000 0.015 0.000 0.883 176 D CB 1.559 42.363 40.800 0.008 0.000 1.029 176 D HN 0.603 nan 8.370 nan 0.000 0.517 177 Q N 1.372 121.195 119.800 0.039 0.000 2.222 177 Q HA 0.043 4.384 4.340 0.002 0.000 0.206 177 Q C 1.623 177.637 176.000 0.023 0.000 0.877 177 Q CA -0.179 55.658 55.803 0.056 0.000 0.958 177 Q CB 0.619 29.415 28.738 0.097 0.000 1.075 177 Q HN 0.304 nan 8.270 nan 0.000 0.483 178 S N 1.445 117.152 115.700 0.012 0.000 2.365 178 S HA -0.209 4.262 4.470 0.002 0.000 0.225 178 S C 1.761 176.356 174.600 -0.008 0.000 1.039 178 S CA 1.170 59.369 58.200 -0.001 0.000 1.033 178 S CB -0.117 63.081 63.200 -0.002 0.000 0.887 178 S HN 0.644 nan 8.310 nan 0.000 0.447 179 I N -0.007 120.560 120.570 -0.005 0.000 2.381 179 I HA -0.210 3.961 4.170 0.002 0.000 0.255 179 I C 1.497 177.600 176.117 -0.023 0.000 1.140 179 I CA 1.409 62.703 61.300 -0.011 0.000 1.404 179 I CB 0.042 38.039 38.000 -0.003 0.000 1.075 179 I HN 0.400 nan 8.210 nan 0.000 0.433 180 L N -1.567 119.637 121.223 -0.032 0.000 2.738 180 L HA 0.000 4.341 4.340 0.002 0.000 0.175 180 L C 2.431 179.255 176.870 -0.077 0.000 1.125 180 L CA 0.873 55.674 54.840 -0.066 0.000 0.857 180 L CB -0.713 41.284 42.059 -0.104 0.000 1.300 180 L HN 0.135 nan 8.230 nan 0.000 0.499 181 T N -1.775 112.735 114.554 -0.074 0.000 2.708 181 T HA 0.025 4.376 4.350 0.002 0.000 0.266 181 T C 1.228 175.903 174.700 -0.040 0.000 1.037 181 T CA 1.108 63.169 62.100 -0.066 0.000 1.146 181 T CB -0.318 68.524 68.868 -0.043 0.000 0.865 181 T HN 0.504 nan 8.240 nan 0.000 0.435 182 G N 0.497 109.282 108.800 -0.026 0.000 2.511 182 G HA2 0.167 4.128 3.960 0.002 0.000 0.205 182 G HA3 0.167 4.128 3.960 0.002 0.000 0.205 182 G C -0.502 174.391 174.900 -0.012 0.000 1.098 182 G CA -0.137 44.952 45.100 -0.020 0.000 0.812 182 G HN 0.808 nan 8.290 nan 0.000 0.497 183 E N -0.392 119.804 120.200 -0.007 0.000 2.649 183 E HA 0.392 4.743 4.350 0.002 0.000 0.308 183 E C 0.980 177.580 176.600 -0.000 0.000 1.017 183 E CA 0.137 56.535 56.400 -0.003 0.000 0.848 183 E CB 0.341 30.041 29.700 -0.001 0.000 1.240 183 E HN 0.577 nan 8.360 nan 0.000 0.421 184 S N 1.805 117.503 115.700 -0.002 0.000 2.527 184 S HA 0.043 4.514 4.470 0.002 0.000 0.222 184 S C 0.802 175.402 174.600 0.001 0.000 0.985 184 S CA 0.057 58.256 58.200 -0.001 0.000 0.921 184 S CB 0.067 63.264 63.200 -0.005 0.000 0.772 184 S HN 0.248 nan 8.310 nan 0.000 0.529 185 V N 4.828 124.742 119.914 0.001 0.000 2.416 185 V HA 0.118 4.240 4.120 0.002 0.000 0.260 185 V C 0.927 177.024 176.094 0.005 0.000 1.018 185 V CA -0.010 62.291 62.300 0.002 0.000 1.120 185 V CB -1.389 30.436 31.823 0.003 0.000 1.081 185 V HN 0.686 nan 8.190 nan 0.000 0.474 186 S N 4.934 120.637 115.700 0.004 0.000 2.593 186 S HA 0.143 4.614 4.470 0.002 0.000 0.303 186 S C -0.118 174.486 174.600 0.007 0.000 1.267 186 S CA -0.230 57.973 58.200 0.005 0.000 1.047 186 S CB 0.536 63.737 63.200 0.002 0.000 0.777 186 S HN 1.187 nan 8.310 nan 0.000 0.498 187 V N 1.089 121.007 119.914 0.007 0.000 2.667 187 V HA 0.664 4.785 4.120 0.002 0.000 0.308 187 V C 0.010 176.103 176.094 -0.003 0.000 1.048 187 V CA -1.328 60.977 62.300 0.007 0.000 0.928 187 V CB 0.988 32.819 31.823 0.014 0.000 1.004 187 V HN 0.894 nan 8.190 nan 0.000 0.444 188 I N 3.552 124.124 120.570 0.003 0.000 2.472 188 I HA 0.473 4.645 4.170 0.002 0.000 0.290 188 I C 0.343 176.449 176.117 -0.019 0.000 1.016 188 I CA -0.364 60.937 61.300 0.002 0.000 1.348 188 I CB 1.129 39.142 38.000 0.022 0.000 1.417 188 I HN 0.620 nan 8.210 nan 0.000 0.521 189 K N 3.950 124.325 120.400 -0.041 0.000 2.280 189 K HA 0.651 4.972 4.320 0.002 0.000 0.234 189 K C -0.765 175.808 176.600 -0.045 0.000 1.028 189 K CA -0.774 55.439 56.287 -0.123 0.000 0.882 189 K CB 1.915 34.328 32.500 -0.145 0.000 1.194 189 K HN 0.785 nan 8.250 nan 0.000 0.458 190 H N -3.811 115.244 119.070 -0.024 0.000 2.933 190 H HA 0.362 4.920 4.556 0.002 0.000 0.310 190 H C 0.086 175.402 175.328 -0.021 0.000 1.351 190 H CA -0.652 55.385 56.048 -0.017 0.000 1.137 190 H CB 0.564 30.321 29.762 -0.009 0.000 1.853 190 H HN 0.490 nan 8.280 nan 0.000 0.539 191 T N -3.150 111.554 114.554 0.250 0.000 3.044 191 T HA 0.201 4.552 4.350 0.002 0.000 0.260 191 T C 0.112 174.931 174.700 0.198 0.000 1.019 191 T CA -0.413 61.773 62.100 0.143 0.000 0.921 191 T CB 0.023 68.929 68.868 0.063 0.000 1.053 191 T HN 0.439 nan 8.240 nan 0.000 0.533 192 E N 3.620 124.022 120.200 0.336 0.000 2.404 192 E HA 0.264 4.615 4.350 0.002 0.000 0.261 192 E C -2.330 174.398 176.600 0.213 0.000 1.074 192 E CA -2.203 54.282 56.400 0.143 0.000 0.917 192 E CB 0.529 30.156 29.700 -0.122 0.000 0.965 192 E HN 0.306 nan 8.360 nan 0.000 0.433 193 P HA 0.106 nan 4.420 nan 0.000 0.276 193 P C -0.410 176.980 177.300 0.149 0.000 1.244 193 P CA -0.362 62.805 63.100 0.112 0.000 0.801 193 P CB 0.740 32.470 31.700 0.049 0.000 1.006 194 V N 4.223 124.246 119.914 0.182 0.000 2.259 194 V HA 0.114 4.236 4.120 0.002 0.000 0.267 194 V C -0.827 175.375 176.094 0.180 0.000 1.051 194 V CA -1.495 60.933 62.300 0.213 0.000 0.830 194 V CB 0.453 32.447 31.823 0.284 0.000 1.080 194 V HN 0.572 nan 8.190 nan 0.000 0.467 195 P HA -0.231 nan 4.420 nan 0.000 0.219 195 P C 0.531 177.880 177.300 0.082 0.000 1.158 195 P CA 1.308 64.448 63.100 0.066 0.000 0.895 195 P CB 0.271 31.998 31.700 0.045 0.000 0.792 196 D N 0.781 121.244 120.400 0.106 0.000 2.363 196 D HA 0.023 4.664 4.640 0.002 0.000 0.263 196 D C -0.938 175.476 176.300 0.191 0.000 1.258 196 D CA -1.801 52.265 54.000 0.109 0.000 0.907 196 D CB 0.575 41.425 40.800 0.084 0.000 1.107 196 D HN 0.125 nan 8.370 nan 0.000 0.495 197 P HA -0.110 nan 4.420 nan 0.000 0.217 197 P C 0.400 177.839 177.300 0.231 0.000 1.151 197 P CA 0.549 63.786 63.100 0.229 0.000 0.828 197 P CB 0.353 32.105 31.700 0.086 0.000 0.788 198 R N 0.607 121.180 120.500 0.122 0.000 4.394 198 R HA 0.507 4.848 4.340 0.002 0.000 0.257 198 R C 0.260 176.587 176.300 0.045 0.000 1.727 198 R CA -0.353 55.791 56.100 0.073 0.000 1.497 198 R CB -0.531 29.797 30.300 0.047 0.000 1.406 198 R HN 0.142 nan 8.270 nan 0.000 0.745 199 A N 0.200 123.041 122.820 0.035 0.000 2.311 199 A HA 0.591 4.912 4.320 0.002 0.000 0.334 199 A C 0.108 177.656 177.584 -0.059 0.000 1.139 199 A CA -0.571 51.460 52.037 -0.009 0.000 0.830 199 A CB 1.229 20.229 19.000 -0.000 0.000 1.234 199 A HN 0.122 nan 8.150 nan 0.000 0.483 200 V N 2.348 122.234 119.914 -0.047 0.000 2.732 200 V HA 0.055 4.176 4.120 0.002 0.000 0.297 200 V C 1.271 177.320 176.094 -0.076 0.000 1.060 200 V CA -0.582 61.677 62.300 -0.068 0.000 1.038 200 V CB 0.811 32.604 31.823 -0.050 0.000 1.003 200 V HN 0.982 nan 8.190 nan 0.000 0.481 201 N N 2.206 120.820 118.700 -0.143 0.000 2.133 201 N HA -0.258 4.483 4.740 0.002 0.000 0.193 201 N C 1.603 177.140 175.510 0.045 0.000 1.012 201 N CA 1.609 54.556 53.050 -0.173 0.000 0.871 201 N CB -0.141 37.970 38.487 -0.627 0.000 1.011 201 N HN 0.791 nan 8.380 nan 0.000 0.435 202 Q N 0.406 120.201 119.800 -0.008 0.000 2.500 202 Q HA -0.078 4.264 4.340 0.002 0.000 0.213 202 Q C 0.170 176.199 176.000 0.048 0.000 0.974 202 Q CA 0.855 56.678 55.803 0.033 0.000 0.918 202 Q CB 0.237 28.976 28.738 0.001 0.000 0.980 202 Q HN 0.341 nan 8.270 nan 0.000 0.505 203 D N -0.527 119.899 120.400 0.042 0.000 2.449 203 D HA 0.032 4.673 4.640 0.002 0.000 0.210 203 D C -0.135 176.195 176.300 0.050 0.000 1.094 203 D CA 0.177 54.202 54.000 0.043 0.000 0.846 203 D CB 0.437 41.253 40.800 0.026 0.000 1.003 203 D HN 0.103 nan 8.370 nan 0.000 0.504 204 K N 2.334 122.771 120.400 0.062 0.000 2.758 204 K HA 0.076 4.397 4.320 0.002 0.000 0.250 204 K C 0.677 177.248 176.600 -0.049 0.000 1.268 204 K CA -0.074 56.230 56.287 0.028 0.000 1.228 204 K CB 0.023 32.559 32.500 0.061 0.000 1.715 204 K HN 0.091 nan 8.250 nan 0.000 0.334 205 K N 1.257 121.607 120.400 -0.083 0.000 3.165 205 K HA 0.006 4.327 4.320 0.002 0.000 0.270 205 K C 0.218 176.502 176.600 -0.526 0.000 1.111 205 K CA 0.095 56.253 56.287 -0.216 0.000 1.216 205 K CB -0.190 32.244 32.500 -0.111 0.000 1.229 205 K HN 0.180 nan 8.250 nan 0.000 0.435 206 N N 0.436 118.885 118.700 -0.418 0.000 2.081 206 N HA 0.071 4.812 4.740 0.002 0.000 0.230 206 N C -0.656 174.693 175.510 -0.269 0.000 1.351 206 N CA -0.382 52.430 53.050 -0.398 0.000 0.840 206 N CB 0.453 38.793 38.487 -0.246 0.000 1.189 206 N HN 0.109 nan 8.380 nan 0.000 0.503 207 M N 1.202 120.570 119.600 -0.386 0.000 2.530 207 M HA 0.455 4.936 4.480 0.002 0.000 0.307 207 M C -0.985 174.907 176.300 -0.679 0.000 1.161 207 M CA -0.454 54.543 55.300 -0.505 0.000 0.903 207 M CB 2.742 34.955 32.600 -0.646 0.000 1.711 207 M HN -0.073 nan 8.290 nan 0.000 0.451 208 L N 3.296 124.232 121.223 -0.479 0.000 2.283 208 L HA 0.420 4.761 4.340 0.002 0.000 0.281 208 L C -1.002 175.697 176.870 -0.286 0.000 1.033 208 L CA -0.483 54.151 54.840 -0.343 0.000 0.848 208 L CB 0.293 42.252 42.059 -0.168 0.000 1.226 208 L HN 0.462 nan 8.230 nan 0.000 0.429 209 F N 1.308 121.238 119.950 -0.033 0.000 2.506 209 F HA 0.080 4.608 4.527 0.002 0.000 0.371 209 F C 1.338 177.124 175.800 -0.024 0.000 1.078 209 F CA 0.034 58.017 58.000 -0.029 0.000 1.195 209 F CB 0.811 39.791 39.000 -0.032 0.000 1.099 209 F HN 0.388 nan 8.300 nan 0.000 0.548 210 S N 2.550 118.346 115.700 0.160 0.000 2.573 210 S HA 0.324 4.796 4.470 0.002 0.000 0.297 210 S C 1.226 175.871 174.600 0.075 0.000 1.280 210 S CA 0.670 58.918 58.200 0.081 0.000 1.061 210 S CB -0.031 63.204 63.200 0.058 0.000 0.812 210 S HN 1.347 nan 8.310 nan 0.000 0.500 211 G N 2.620 111.448 108.800 0.045 0.000 2.176 211 G HA2 -0.228 3.733 3.960 0.002 0.000 0.253 211 G HA3 -0.228 3.733 3.960 0.002 0.000 0.253 211 G C 0.312 175.233 174.900 0.036 0.000 0.979 211 G CA 0.414 45.533 45.100 0.033 0.000 0.641 211 G HN 1.064 nan 8.290 nan 0.000 0.530 212 T N 0.808 115.393 114.554 0.052 0.000 2.927 212 T HA 0.600 4.951 4.350 0.002 0.000 0.281 212 T C -0.168 174.547 174.700 0.025 0.000 0.998 212 T CA -0.162 61.968 62.100 0.050 0.000 1.019 212 T CB 0.588 69.510 68.868 0.090 0.000 1.061 212 T HN 0.301 nan 8.240 nan 0.000 0.518 213 N N 2.866 121.576 118.700 0.017 0.000 2.321 213 N HA 0.356 5.097 4.740 0.002 0.000 0.299 213 N C -0.835 174.675 175.510 0.001 0.000 1.048 213 N CA -0.755 52.299 53.050 0.006 0.000 0.836 213 N CB 1.125 39.614 38.487 0.003 0.000 1.269 213 N HN 0.430 nan 8.380 nan 0.000 0.486 214 I N 1.546 122.113 120.570 -0.004 0.000 2.421 214 I HA 0.061 4.232 4.170 0.002 0.000 0.291 214 I C 1.457 177.571 176.117 -0.006 0.000 1.089 214 I CA -0.108 61.187 61.300 -0.008 0.000 1.354 214 I CB -0.114 37.879 38.000 -0.011 0.000 1.413 214 I HN 0.660 nan 8.210 nan 0.000 0.513 215 A N 5.567 128.384 122.820 -0.005 0.000 2.072 215 A HA 0.532 4.853 4.320 0.002 0.000 0.216 215 A C 0.989 178.571 177.584 -0.004 0.000 1.156 215 A CA 0.970 53.005 52.037 -0.003 0.000 0.701 215 A CB 0.146 19.145 19.000 -0.002 0.000 0.816 215 A HN 0.851 nan 8.150 nan 0.000 0.458 216 A N -3.143 119.674 122.820 -0.005 0.000 2.581 216 A HA 0.622 4.943 4.320 0.002 0.000 0.294 216 A C 0.254 177.835 177.584 -0.005 0.000 1.035 216 A CA 0.174 52.208 52.037 -0.004 0.000 0.684 216 A CB -0.301 18.698 19.000 -0.002 0.000 1.282 216 A HN 2.154 nan 8.150 nan 0.000 0.417 217 G N 0.196 108.994 108.800 -0.004 0.000 2.685 217 G HA2 0.360 4.321 3.960 0.002 0.000 0.387 217 G HA3 0.360 4.321 3.960 0.002 0.000 0.387 217 G C -0.545 174.353 174.900 -0.003 0.000 1.324 217 G CA 0.044 45.142 45.100 -0.003 0.000 0.878 217 G HN 1.537 nan 8.290 nan 0.000 0.527 218 K N -0.436 119.962 120.400 -0.002 0.000 2.468 218 K HA 0.777 5.098 4.320 0.002 0.000 0.252 218 K C -0.426 176.173 176.600 -0.001 0.000 0.932 218 K CA -0.162 56.126 56.287 0.001 0.000 0.794 218 K CB 1.715 34.219 32.500 0.007 0.000 1.241 218 K HN 1.993 nan 8.250 nan 0.000 0.428 219 A N 3.195 126.015 122.820 -0.001 0.000 2.572 219 A HA 0.632 4.953 4.320 0.002 0.000 0.295 219 A C -2.136 175.450 177.584 0.002 0.000 1.072 219 A CA -0.751 51.282 52.037 -0.006 0.000 0.691 219 A CB 1.524 20.511 19.000 -0.022 0.000 1.291 219 A HN 0.551 nan 8.150 nan 0.000 0.404 220 L N 0.777 121.997 121.223 -0.005 0.000 2.334 220 L HA 0.941 5.283 4.340 0.002 0.000 0.272 220 L C 0.471 177.331 176.870 -0.015 0.000 1.020 220 L CA 0.688 55.527 54.840 -0.002 0.000 0.812 220 L CB 1.783 43.823 42.059 -0.032 0.000 1.264 220 L HN 1.287 nan 8.230 nan 0.000 0.439 221 G N 3.304 112.098 108.800 -0.010 0.000 2.600 221 G HA2 0.496 4.457 3.960 0.002 0.000 0.293 221 G HA3 0.496 4.457 3.960 0.002 0.000 0.293 221 G C -2.094 172.793 174.900 -0.022 0.000 1.408 221 G CA -0.498 44.587 45.100 -0.024 0.000 0.782 221 G HN 0.730 nan 8.290 nan 0.000 0.482 222 I N 0.456 121.007 120.570 -0.032 0.000 2.533 222 I HA 0.511 4.682 4.170 0.002 0.000 0.290 222 I C -0.434 175.635 176.117 -0.079 0.000 1.056 222 I CA -1.054 60.219 61.300 -0.045 0.000 1.057 222 I CB 2.053 40.051 38.000 -0.003 0.000 1.240 222 I HN 0.310 nan 8.210 nan 0.000 0.423 223 V N 8.348 128.177 119.914 -0.141 0.000 2.450 223 V HA 0.109 4.230 4.120 0.002 0.000 0.281 223 V C 1.132 177.112 176.094 -0.189 0.000 1.019 223 V CA 0.745 62.944 62.300 -0.168 0.000 1.062 223 V CB 0.306 32.004 31.823 -0.209 0.000 0.979 223 V HN 0.958 nan 8.190 nan 0.000 0.477 224 A N 4.759 127.522 122.820 -0.095 0.000 1.871 224 A HA 0.240 4.561 4.320 0.002 0.000 0.211 224 A C 1.149 178.694 177.584 -0.065 0.000 1.207 224 A CA 1.235 53.244 52.037 -0.046 0.000 0.620 224 A CB 0.060 19.049 19.000 -0.018 0.000 0.860 224 A HN 0.868 nan 8.150 nan 0.000 0.450 225 T N -3.034 111.489 114.554 -0.052 0.000 2.900 225 T HA 0.580 4.931 4.350 0.002 0.000 0.303 225 T C -0.376 174.308 174.700 -0.028 0.000 1.142 225 T CA 0.109 62.188 62.100 -0.036 0.000 1.007 225 T CB 1.630 70.513 68.868 0.024 0.000 1.156 225 T HN 0.720 nan 8.240 nan 0.000 0.490 226 T N -1.228 113.317 114.554 -0.014 0.000 2.676 226 T HA 0.825 5.176 4.350 0.002 0.000 0.269 226 T C 1.178 175.904 174.700 0.043 0.000 0.952 226 T CA 0.153 62.257 62.100 0.007 0.000 1.040 226 T CB 0.920 69.783 68.868 -0.008 0.000 1.352 226 T HN 2.066 nan 8.240 nan 0.000 0.554 227 G N 0.039 108.870 108.800 0.051 0.000 2.632 227 G HA2 -0.315 3.646 3.960 0.002 0.000 0.322 227 G HA3 -0.315 3.646 3.960 0.002 0.000 0.322 227 G C 1.133 176.063 174.900 0.050 0.000 1.326 227 G CA 1.020 46.156 45.100 0.060 0.000 0.986 227 G HN 1.678 nan 8.290 nan 0.000 0.541 228 V N 0.840 120.784 119.914 0.051 0.000 3.141 228 V HA 0.012 4.134 4.120 0.002 0.000 0.265 228 V C 2.667 178.787 176.094 0.043 0.000 1.126 228 V CA 2.776 65.100 62.300 0.040 0.000 1.141 228 V CB -0.410 31.435 31.823 0.038 0.000 0.743 228 V HN 0.761 nan 8.190 nan 0.000 0.492 229 S N -0.296 115.438 115.700 0.056 0.000 2.515 229 S HA -0.039 4.432 4.470 0.002 0.000 0.231 229 S C 1.058 175.688 174.600 0.050 0.000 0.987 229 S CA 0.629 58.865 58.200 0.060 0.000 0.936 229 S CB -0.425 62.824 63.200 0.082 0.000 0.766 229 S HN 0.689 nan 8.310 nan 0.000 0.528 230 T N 2.408 116.989 114.554 0.045 0.000 2.906 230 T HA 0.018 4.369 4.350 0.002 0.000 0.320 230 T C 1.305 176.024 174.700 0.033 0.000 1.088 230 T CA 0.053 62.181 62.100 0.046 0.000 1.120 230 T CB 0.618 69.510 68.868 0.040 0.000 1.000 230 T HN 0.211 nan 8.240 nan 0.000 0.550 231 E N 1.191 121.414 120.200 0.039 0.000 2.150 231 E HA -0.032 4.319 4.350 0.002 0.000 0.193 231 E C 1.735 178.297 176.600 -0.063 0.000 0.985 231 E CA 0.916 57.298 56.400 -0.030 0.000 0.814 231 E CB -0.151 29.494 29.700 -0.093 0.000 0.752 231 E HN 0.704 nan 8.360 nan 0.000 0.466 232 I N -1.101 119.453 120.570 -0.027 0.000 2.703 232 I HA 0.044 4.215 4.170 0.002 0.000 0.259 232 I C 1.912 178.020 176.117 -0.015 0.000 1.151 232 I CA 0.903 62.184 61.300 -0.031 0.000 1.470 232 I CB -0.114 37.882 38.000 -0.008 0.000 1.112 232 I HN 0.242 nan 8.210 nan 0.000 0.437 233 G N 0.540 109.341 108.800 0.002 0.000 2.471 233 G HA2 -0.199 3.763 3.960 0.002 0.000 0.219 233 G HA3 -0.199 3.763 3.960 0.002 0.000 0.219 233 G C 1.501 176.402 174.900 0.003 0.000 1.125 233 G CA 0.302 45.407 45.100 0.008 0.000 0.775 233 G HN 0.323 nan 8.290 nan 0.000 0.548 234 K N -0.177 120.220 120.400 -0.005 0.000 2.417 234 K HA 0.265 4.586 4.320 0.002 0.000 0.196 234 K C 0.867 177.455 176.600 -0.020 0.000 1.023 234 K CA -0.178 56.104 56.287 -0.008 0.000 1.122 234 K CB 0.333 32.828 32.500 -0.008 0.000 0.850 234 K HN 0.253 nan 8.250 nan 0.000 0.521 235 I N -0.929 119.626 120.570 -0.025 0.000 4.624 235 I HA 0.045 4.216 4.170 0.002 0.000 0.327 235 I C 1.527 177.632 176.117 -0.021 0.000 1.295 235 I CA 0.358 61.639 61.300 -0.031 0.000 1.267 235 I CB 0.295 38.266 38.000 -0.048 0.000 1.249 235 I HN -0.041 nan 8.210 nan 0.000 0.440 236 R N 1.396 121.887 120.500 -0.015 0.000 2.317 236 R HA 0.033 4.375 4.340 0.002 0.000 0.208 236 R C 1.267 177.565 176.300 -0.004 0.000 0.914 236 R CA 0.700 56.795 56.100 -0.009 0.000 1.060 236 R CB -0.263 30.034 30.300 -0.005 0.000 1.015 236 R HN 0.101 nan 8.270 nan 0.000 0.498 237 D N -0.971 119.427 120.400 -0.003 0.000 2.323 237 D HA -0.088 4.553 4.640 0.002 0.000 0.209 237 D C 1.375 177.674 176.300 -0.001 0.000 0.973 237 D CA 0.416 54.416 54.000 0.001 0.000 0.874 237 D CB 0.352 41.155 40.800 0.004 0.000 0.930 237 D HN 0.112 nan 8.370 nan 0.000 0.521 238 Q N -0.637 119.160 119.800 -0.005 0.000 2.435 238 Q HA 0.081 4.422 4.340 0.002 0.000 0.207 238 Q C 0.919 176.916 176.000 -0.005 0.000 0.956 238 Q CA 0.899 56.699 55.803 -0.006 0.000 0.917 238 Q CB 0.149 28.881 28.738 -0.010 0.000 0.997 238 Q HN 0.241 nan 8.270 nan 0.000 0.497 239 M N -1.689 117.908 119.600 -0.004 0.000 2.306 239 M HA 0.373 4.854 4.480 0.002 0.000 0.292 239 M C 1.356 177.656 176.300 -0.001 0.000 1.018 239 M CA 0.426 55.723 55.300 -0.004 0.000 1.007 239 M CB -0.371 32.225 32.600 -0.006 0.000 1.510 239 M HN 0.164 nan 8.290 nan 0.000 0.537 240 A N 1.824 124.644 122.820 0.001 0.000 1.885 240 A HA -0.043 4.278 4.320 0.002 0.000 0.215 240 A C 1.999 179.585 177.584 0.003 0.000 1.255 240 A CA 2.913 54.952 52.037 0.003 0.000 0.692 240 A CB -0.886 18.118 19.000 0.006 0.000 0.842 240 A HN 0.502 nan 8.150 nan 0.000 0.465 241 A N -2.565 120.258 122.820 0.004 0.000 2.431 241 A HA 0.429 4.750 4.320 0.002 0.000 0.239 241 A C 0.696 178.282 177.584 0.004 0.000 1.230 241 A CA 0.603 52.643 52.037 0.004 0.000 0.928 241 A CB -0.035 18.969 19.000 0.006 0.000 1.006 241 A HN 0.338 nan 8.150 nan 0.000 0.520 242 T N 2.554 117.110 114.554 0.002 0.000 3.162 242 T HA 0.426 4.777 4.350 0.002 0.000 0.316 242 T C -0.332 174.368 174.700 0.001 0.000 1.182 242 T CA -0.061 62.040 62.100 0.002 0.000 1.015 242 T CB -0.621 68.247 68.868 0.000 0.000 1.089 242 T HN 0.738 nan 8.240 nan 0.000 0.646 243 E N 1.428 121.629 120.200 0.002 0.000 2.437 243 E HA 0.442 4.793 4.350 0.002 0.000 0.280 243 E C -1.600 175.002 176.600 0.003 0.000 1.044 243 E CA -1.176 55.225 56.400 0.001 0.000 0.826 243 E CB 1.427 31.127 29.700 0.000 0.000 1.358 243 E HN 0.124 nan 8.360 nan 0.000 0.459 244 Q N 2.196 121.997 119.800 0.003 0.000 2.878 244 Q HA 0.292 4.633 4.340 0.002 0.000 0.232 244 Q C -1.898 174.105 176.000 0.004 0.000 0.893 244 Q CA -0.304 55.502 55.803 0.005 0.000 0.742 244 Q CB 0.956 29.697 28.738 0.004 0.000 1.354 244 Q HN 0.667 nan 8.270 nan 0.000 0.466 245 D N 2.764 123.167 120.400 0.005 0.000 2.886 245 D HA 0.435 5.076 4.640 0.002 0.000 0.216 245 D C -1.125 175.178 176.300 0.006 0.000 1.256 245 D CA -0.325 53.677 54.000 0.004 0.000 0.844 245 D CB 1.698 42.498 40.800 0.001 0.000 1.669 245 D HN 0.341 nan 8.370 nan 0.000 0.513 246 K N 0.362 120.767 120.400 0.008 0.000 2.502 246 K HA 0.443 4.764 4.320 0.002 0.000 0.257 246 K C -0.190 176.415 176.600 0.008 0.000 0.938 246 K CA -0.796 55.497 56.287 0.010 0.000 0.819 246 K CB 2.469 34.980 32.500 0.019 0.000 1.333 246 K HN 0.455 nan 8.250 nan 0.000 0.434 247 T N -1.281 113.277 114.554 0.005 0.000 2.856 247 T HA 0.116 4.467 4.350 0.002 0.000 0.306 247 T C -1.905 172.801 174.700 0.011 0.000 1.062 247 T CA -1.205 60.897 62.100 0.004 0.000 1.083 247 T CB 0.635 69.502 68.868 -0.001 0.000 0.984 247 T HN 0.195 nan 8.240 nan 0.000 0.542 248 P HA -0.062 nan 4.420 nan 0.000 0.217 248 P C 1.629 178.947 177.300 0.028 0.000 1.148 248 P CA 0.711 63.820 63.100 0.015 0.000 0.828 248 P CB 0.022 31.725 31.700 0.005 0.000 0.783 249 L N -1.020 120.223 121.223 0.033 0.000 2.072 249 L HA -0.167 4.174 4.340 0.002 0.000 0.205 249 L C 2.462 179.351 176.870 0.032 0.000 1.079 249 L CA 1.468 56.337 54.840 0.048 0.000 0.752 249 L CB -0.512 41.586 42.059 0.065 0.000 0.906 249 L HN -0.039 nan 8.230 nan 0.000 0.436 250 Q N -0.714 119.099 119.800 0.021 0.000 2.181 250 Q HA -0.287 4.054 4.340 0.002 0.000 0.205 250 Q C 2.107 178.140 176.000 0.055 0.000 0.980 250 Q CA 1.622 57.440 55.803 0.026 0.000 0.862 250 Q CB -0.027 28.721 28.738 0.017 0.000 0.905 250 Q HN 0.608 nan 8.270 nan 0.000 0.429 251 Q N 0.247 120.077 119.800 0.050 0.000 2.123 251 Q HA -0.111 4.230 4.340 0.002 0.000 0.199 251 Q C 1.787 177.836 176.000 0.082 0.000 0.966 251 Q CA 0.996 56.836 55.803 0.060 0.000 0.845 251 Q CB 0.161 28.925 28.738 0.043 0.000 0.907 251 Q HN 0.215 nan 8.270 nan 0.000 0.439 252 K N -0.105 120.340 120.400 0.076 0.000 2.062 252 K HA -0.109 4.212 4.320 0.002 0.000 0.205 252 K C 1.821 178.510 176.600 0.148 0.000 1.051 252 K CA 0.686 57.027 56.287 0.091 0.000 0.941 252 K CB 0.046 32.581 32.500 0.060 0.000 0.719 252 K HN 0.047 nan 8.250 nan 0.000 0.440 253 L N 1.724 123.026 121.223 0.132 0.000 2.017 253 L HA -0.181 4.160 4.340 0.002 0.000 0.208 253 L C 1.660 178.755 176.870 0.375 0.000 1.073 253 L CA 1.831 56.794 54.840 0.205 0.000 0.745 253 L CB -0.660 41.424 42.059 0.042 0.000 0.894 253 L HN 0.123 nan 8.230 nan 0.000 0.432 254 D N -0.766 119.796 120.400 0.269 0.000 2.117 254 D HA -0.196 4.446 4.640 0.002 0.000 0.197 254 D C 2.172 178.604 176.300 0.221 0.000 0.987 254 D CA 0.937 55.096 54.000 0.266 0.000 0.829 254 D CB 0.048 40.945 40.800 0.162 0.000 0.961 254 D HN 0.389 nan 8.370 nan 0.000 0.460 255 E N -0.987 119.330 120.200 0.195 0.000 2.153 255 E HA -0.175 4.176 4.350 0.002 0.000 0.194 255 E C 1.757 178.493 176.600 0.227 0.000 0.988 255 E CA 0.465 56.961 56.400 0.160 0.000 0.811 255 E CB -0.054 29.727 29.700 0.135 0.000 0.746 255 E HN 0.189 nan 8.360 nan 0.000 0.466 256 F N 0.305 120.340 119.950 0.142 0.000 2.163 256 F HA 0.080 4.608 4.527 0.002 0.000 0.297 256 F C 1.984 177.907 175.800 0.205 0.000 1.094 256 F CA 1.669 59.775 58.000 0.176 0.000 1.290 256 F CB -0.726 38.406 39.000 0.220 0.000 1.017 256 F HN -0.008 nan 8.300 nan 0.000 0.483 257 G N -0.354 108.607 108.800 0.268 0.000 2.421 257 G HA2 -0.310 3.651 3.960 0.002 0.000 0.216 257 G HA3 -0.310 3.651 3.960 0.002 0.000 0.216 257 G C 1.581 176.330 174.900 -0.252 0.000 1.171 257 G CA 0.793 45.807 45.100 -0.143 0.000 0.775 257 G HN 0.473 nan 8.290 nan 0.000 0.543 258 E N 0.695 120.836 120.200 -0.099 0.000 2.160 258 E HA -0.234 4.117 4.350 0.002 0.000 0.195 258 E C 2.490 179.010 176.600 -0.135 0.000 0.991 258 E CA 1.441 57.768 56.400 -0.122 0.000 0.810 258 E CB -0.170 29.500 29.700 -0.049 0.000 0.742 258 E HN 0.768 nan 8.360 nan 0.000 0.466 259 Q N -0.268 119.470 119.800 -0.102 0.000 2.432 259 Q HA -0.031 4.310 4.340 0.002 0.000 0.205 259 Q C 1.961 177.864 176.000 -0.162 0.000 0.945 259 Q CA 0.399 56.145 55.803 -0.095 0.000 0.924 259 Q CB 0.096 28.825 28.738 -0.016 0.000 1.016 259 Q HN 0.346 nan 8.270 nan 0.000 0.503 260 L N 0.312 121.371 121.223 -0.273 0.000 2.249 260 L HA 0.038 4.379 4.340 0.002 0.000 0.207 260 L C 2.416 179.152 176.870 -0.223 0.000 1.090 260 L CA 0.588 55.249 54.840 -0.299 0.000 0.802 260 L CB 0.020 41.795 42.059 -0.473 0.000 0.947 260 L HN 0.249 nan 8.230 nan 0.000 0.453 261 S N -0.309 115.233 115.700 -0.264 0.000 2.474 261 S HA -0.133 4.338 4.470 0.002 0.000 0.235 261 S C 1.803 176.251 174.600 -0.253 0.000 0.997 261 S CA 1.224 59.247 58.200 -0.295 0.000 0.949 261 S CB 0.046 63.008 63.200 -0.396 0.000 0.766 261 S HN 0.348 nan 8.310 nan 0.000 0.517 262 K N -0.166 120.128 120.400 -0.177 0.000 2.214 262 K HA 0.162 4.483 4.320 0.002 0.000 0.201 262 K C 1.975 178.532 176.600 -0.071 0.000 1.049 262 K CA 0.798 57.011 56.287 -0.124 0.000 0.978 262 K CB -0.213 32.227 32.500 -0.100 0.000 0.842 262 K HN 0.133 nan 8.250 nan 0.000 0.474 263 V N 2.390 122.265 119.914 -0.066 0.000 2.295 263 V HA -0.264 3.857 4.120 0.002 0.000 0.246 263 V C 2.239 178.327 176.094 -0.010 0.000 1.049 263 V CA 1.479 63.760 62.300 -0.032 0.000 1.024 263 V CB -0.404 31.402 31.823 -0.028 0.000 0.648 263 V HN 0.248 nan 8.190 nan 0.000 0.447 264 I N 0.257 120.818 120.570 -0.014 0.000 2.113 264 I HA -0.190 3.981 4.170 0.002 0.000 0.238 264 I C 2.643 178.798 176.117 0.063 0.000 1.070 264 I CA 1.754 63.071 61.300 0.029 0.000 1.332 264 I CB -1.604 36.425 38.000 0.047 0.000 1.044 264 I HN 0.295 nan 8.210 nan 0.000 0.402 265 S N 1.362 117.098 115.700 0.061 0.000 2.368 265 S HA -0.203 4.268 4.470 0.002 0.000 0.226 265 S C 2.099 176.738 174.600 0.065 0.000 1.044 265 S CA 1.495 59.740 58.200 0.074 0.000 1.062 265 S CB -0.630 62.564 63.200 -0.011 0.000 0.931 265 S HN 0.340 nan 8.310 nan 0.000 0.440 266 L N 1.637 122.884 121.223 0.041 0.000 1.948 266 L HA -0.129 4.212 4.340 0.002 0.000 0.212 266 L C 2.544 179.475 176.870 0.102 0.000 1.074 266 L CA 1.726 56.601 54.840 0.058 0.000 0.753 266 L CB -0.994 41.083 42.059 0.030 0.000 0.888 266 L HN 0.410 nan 8.230 nan 0.000 0.432 267 I N -2.347 118.278 120.570 0.092 0.000 2.300 267 I HA -0.340 3.831 4.170 0.002 0.000 0.252 267 I C 2.494 178.782 176.117 0.285 0.000 1.119 267 I CA 1.611 63.007 61.300 0.161 0.000 1.384 267 I CB -0.887 37.160 38.000 0.078 0.000 1.062 267 I HN 0.301 nan 8.210 nan 0.000 0.426 268 C N 0.805 120.213 119.300 0.181 0.000 2.476 268 C HA -0.000 4.461 4.460 0.002 0.000 0.278 268 C C 2.930 178.020 174.990 0.167 0.000 1.274 268 C CA 0.586 59.694 59.018 0.150 0.000 1.713 268 C CB -0.599 27.183 27.740 0.069 0.000 2.039 268 C HN 0.494 nan 8.230 nan 0.000 0.484 269 V N 1.452 121.459 119.914 0.154 0.000 2.720 269 V HA -0.176 3.945 4.120 0.002 0.000 0.256 269 V C 2.512 178.762 176.094 0.261 0.000 1.082 269 V CA 1.941 64.351 62.300 0.183 0.000 1.101 269 V CB -1.082 30.818 31.823 0.128 0.000 0.693 269 V HN 0.616 nan 8.190 nan 0.000 0.479 270 A N -0.235 122.735 122.820 0.250 0.000 1.898 270 A HA -0.086 4.236 4.320 0.002 0.000 0.214 270 A C 2.343 180.060 177.584 0.221 0.000 1.183 270 A CA 1.548 53.749 52.037 0.273 0.000 0.622 270 A CB -0.460 18.750 19.000 0.351 0.000 0.824 270 A HN 0.328 nan 8.150 nan 0.000 0.444 271 V N -2.047 117.967 119.914 0.168 0.000 2.332 271 V HA -0.279 3.842 4.120 0.002 0.000 0.248 271 V C 2.194 178.307 176.094 0.032 0.000 1.055 271 V CA 1.956 64.203 62.300 -0.089 0.000 1.038 271 V CB -0.959 30.804 31.823 -0.101 0.000 0.651 271 V HN 0.864 nan 8.190 nan 0.000 0.450 272 W N -0.067 121.248 121.300 0.025 0.000 2.467 272 W HA -0.024 4.637 4.660 0.002 0.000 0.275 272 W C 2.022 178.604 176.519 0.106 0.000 1.239 272 W CA 1.109 58.535 57.345 0.136 0.000 1.266 272 W CB 0.022 29.616 29.460 0.224 0.000 1.112 272 W HN 0.146 nan 8.180 nan 0.000 0.576 273 L N 0.649 122.011 121.223 0.231 0.000 2.102 273 L HA -0.077 4.264 4.340 0.002 0.000 0.202 273 L C 2.337 179.108 176.870 -0.165 0.000 1.076 273 L CA 1.154 56.016 54.840 0.037 0.000 0.761 273 L CB -0.851 41.316 42.059 0.180 0.000 0.921 273 L HN 0.017 nan 8.230 nan 0.000 0.444 274 I N -3.113 117.390 120.570 -0.111 0.000 3.456 274 I HA -0.061 4.110 4.170 0.002 0.000 0.291 274 I C 0.933 176.866 176.117 -0.308 0.000 1.307 274 I CA 0.936 62.145 61.300 -0.151 0.000 1.333 274 I CB -0.353 37.600 38.000 -0.077 0.000 1.032 274 I HN 0.262 nan 8.210 nan 0.000 0.506 275 N N 1.192 119.602 118.700 -0.483 0.000 2.143 275 N HA 0.130 4.871 4.740 0.002 0.000 0.222 275 N C 1.803 176.809 175.510 -0.840 0.000 1.264 275 N CA 0.140 52.748 53.050 -0.737 0.000 0.897 275 N CB 0.585 38.375 38.487 -1.162 0.000 1.092 275 N HN 0.430 nan 8.380 nan 0.000 0.516 276 I N -0.942 118.971 120.570 -1.095 0.000 2.530 276 I HA -0.011 4.160 4.170 0.002 0.000 0.257 276 I C 1.484 177.012 176.117 -0.982 0.000 1.179 276 I CA 1.364 61.495 61.300 -1.949 0.000 1.440 276 I CB -1.578 35.689 38.000 -1.222 0.000 1.087 276 I HN -0.154 nan 8.210 nan 0.000 0.440 277 G N 0.026 108.603 108.800 -0.372 0.000 2.956 277 G HA2 -0.109 3.852 3.960 0.002 0.000 0.207 277 G HA3 -0.109 3.852 3.960 0.002 0.000 0.207 277 G C 0.467 175.308 174.900 -0.098 0.000 1.162 277 G CA 0.151 45.165 45.100 -0.143 0.000 0.796 277 G HN 0.631 nan 8.290 nan 0.000 0.527 278 H N -1.444 117.577 119.070 -0.080 0.000 2.767 278 H HA 0.298 4.855 4.556 0.002 0.000 0.260 278 H C 0.803 176.515 175.328 0.640 0.000 1.172 278 H CA -1.041 55.168 56.048 0.269 0.000 1.048 278 H CB 0.222 30.156 29.762 0.287 0.000 1.697 278 H HN 0.202 nan 8.280 nan 0.000 0.606 279 F N 0.375 120.485 119.950 0.266 0.000 2.710 279 F HA 0.126 4.654 4.527 0.002 0.000 0.298 279 F C 0.844 176.792 175.800 0.247 0.000 1.137 279 F CA 0.659 58.798 58.000 0.232 0.000 1.444 279 F CB -0.302 38.768 39.000 0.116 0.000 1.111 279 F HN 0.256 nan 8.300 nan 0.000 0.580 280 N N -0.415 118.532 118.700 0.412 0.000 2.235 280 N HA 0.014 4.755 4.740 0.002 0.000 0.231 280 N C -0.507 175.150 175.510 0.245 0.000 1.177 280 N CA -0.281 52.951 53.050 0.303 0.000 0.874 280 N CB 0.584 39.201 38.487 0.217 0.000 1.097 280 N HN -0.020 nan 8.380 nan 0.000 0.518 281 D N 1.662 122.244 120.400 0.303 0.000 2.368 281 D HA -0.004 4.638 4.640 0.002 0.000 0.240 281 D C -1.168 175.199 176.300 0.111 0.000 1.169 281 D CA -1.056 53.051 54.000 0.179 0.000 0.906 281 D CB 0.884 41.784 40.800 0.166 0.000 1.187 281 D HN 0.085 nan 8.370 nan 0.000 0.435 282 P HA -0.112 nan 4.420 nan 0.000 0.219 282 P C 1.469 178.755 177.300 -0.024 0.000 1.150 282 P CA 0.476 63.599 63.100 0.038 0.000 0.814 282 P CB 0.291 32.017 31.700 0.043 0.000 0.787 283 V N 0.253 120.091 119.914 -0.127 0.000 3.186 283 V HA -0.137 3.985 4.120 0.002 0.000 0.270 283 V C 1.452 177.326 176.094 -0.367 0.000 1.149 283 V CA 1.682 63.818 62.300 -0.273 0.000 1.160 283 V CB -1.474 30.106 31.823 -0.405 0.000 0.758 283 V HN 0.185 nan 8.190 nan 0.000 0.516 284 H N -0.817 118.239 119.070 -0.022 0.000 2.893 284 H HA 0.379 4.936 4.556 0.002 0.000 0.270 284 H C 1.762 177.092 175.328 0.004 0.000 1.095 284 H CA 0.456 56.482 56.048 -0.036 0.000 1.186 284 H CB 0.736 30.498 29.762 -0.001 0.000 1.562 284 H HN 0.446 nan 8.280 nan 0.000 0.536 285 G N 0.657 109.517 108.800 0.099 0.000 2.159 285 G HA2 -0.258 3.703 3.960 0.002 0.000 0.256 285 G HA3 -0.258 3.703 3.960 0.002 0.000 0.256 285 G C 1.186 176.159 174.900 0.123 0.000 0.977 285 G CA 0.510 45.662 45.100 0.086 0.000 0.652 285 G HN 0.874 nan 8.290 nan 0.000 0.531 286 G N -1.453 107.446 108.800 0.165 0.000 2.176 286 G HA2 0.011 3.973 3.960 0.002 0.000 0.252 286 G HA3 0.011 3.973 3.960 0.002 0.000 0.252 286 G C 0.222 175.291 174.900 0.282 0.000 1.024 286 G CA 0.854 46.077 45.100 0.204 0.000 0.755 286 G HN 1.757 nan 8.290 nan 0.000 0.507 287 S N -0.335 115.499 115.700 0.223 0.000 2.438 287 S HA 0.431 4.902 4.470 0.002 0.000 0.293 287 S C 0.967 175.663 174.600 0.159 0.000 1.141 287 S CA -0.057 58.221 58.200 0.130 0.000 1.080 287 S CB 0.368 63.501 63.200 -0.112 0.000 0.978 287 S HN 0.694 nan 8.310 nan 0.000 0.479 288 W N 3.278 124.633 121.300 0.093 0.000 2.848 288 W HA 0.124 4.785 4.660 0.002 0.000 0.241 288 W C 0.288 176.855 176.519 0.080 0.000 1.289 288 W CA -0.008 57.414 57.345 0.128 0.000 1.396 288 W CB -0.368 29.165 29.460 0.121 0.000 1.138 288 W HN 0.430 nan 8.180 nan 0.000 0.677 289 I N 0.854 121.167 120.570 -0.427 0.000 3.570 289 I HA 0.088 4.259 4.170 0.002 0.000 0.270 289 I C 2.451 178.401 176.117 -0.278 0.000 1.162 289 I CA 0.184 61.251 61.300 -0.389 0.000 1.413 289 I CB -1.171 36.492 38.000 -0.562 0.000 1.437 289 I HN -0.039 nan 8.210 nan 0.000 0.457 290 R N 1.236 121.584 120.500 -0.254 0.000 2.200 290 R HA -0.084 4.257 4.340 0.002 0.000 0.234 290 R C 2.149 178.317 176.300 -0.221 0.000 1.127 290 R CA 1.356 57.356 56.100 -0.167 0.000 0.989 290 R CB -0.439 29.803 30.300 -0.097 0.000 0.869 290 R HN 0.444 nan 8.270 nan 0.000 0.459 291 G N 0.461 109.106 108.800 -0.259 0.000 2.426 291 G HA2 -0.103 3.858 3.960 0.002 0.000 0.214 291 G HA3 -0.103 3.858 3.960 0.002 0.000 0.214 291 G C 1.487 176.016 174.900 -0.617 0.000 1.156 291 G CA 0.473 45.325 45.100 -0.413 0.000 0.802 291 G HN 0.353 nan 8.290 nan 0.000 0.534 292 A N 0.676 122.976 122.820 -0.867 0.000 1.968 292 A HA 0.184 4.505 4.320 0.002 0.000 0.217 292 A C 2.323 179.809 177.584 -0.163 0.000 1.169 292 A CA 0.800 52.162 52.037 -1.125 0.000 0.638 292 A CB -0.263 18.396 19.000 -0.568 0.000 0.812 292 A HN 0.351 nan 8.150 nan 0.000 0.446 293 I N -1.937 118.549 120.570 -0.140 0.000 2.252 293 I HA -0.237 3.934 4.170 0.002 0.000 0.245 293 I C 2.445 178.583 176.117 0.036 0.000 1.102 293 I CA 1.557 62.854 61.300 -0.005 0.000 1.385 293 I CB -0.403 37.565 38.000 -0.053 0.000 1.064 293 I HN 0.517 nan 8.210 nan 0.000 0.414 294 Y N 0.867 121.039 120.300 -0.214 0.000 2.165 294 Y HA -0.310 4.241 4.550 0.002 0.000 0.286 294 Y C 2.263 178.016 175.900 -0.245 0.000 1.155 294 Y CA 1.624 59.550 58.100 -0.290 0.000 1.164 294 Y CB -0.556 37.556 38.460 -0.580 0.000 0.978 294 Y HN 0.109 nan 8.280 nan 0.000 0.513 295 Y N -2.088 118.150 120.300 -0.102 0.000 2.286 295 Y HA -0.164 4.387 4.550 0.002 0.000 0.293 295 Y C 2.258 178.258 175.900 0.167 0.000 1.124 295 Y CA 1.108 59.196 58.100 -0.021 0.000 1.178 295 Y CB -0.620 37.920 38.460 0.133 0.000 1.010 295 Y HN 0.202 nan 8.280 nan 0.000 0.536 296 F N 1.429 121.579 119.950 0.334 0.000 2.161 296 F HA -0.226 4.302 4.527 0.002 0.000 0.300 296 F C 1.966 177.759 175.800 -0.012 0.000 1.089 296 F CA 1.638 59.740 58.000 0.171 0.000 1.282 296 F CB -0.245 38.765 39.000 0.015 0.000 1.010 296 F HN -0.161 nan 8.300 nan 0.000 0.485 297 K N 0.039 120.399 120.400 -0.066 0.000 2.211 297 K HA -0.091 4.230 4.320 0.002 0.000 0.203 297 K C 2.079 178.512 176.600 -0.278 0.000 1.050 297 K CA 1.408 57.568 56.287 -0.211 0.000 0.945 297 K CB -0.123 32.272 32.500 -0.174 0.000 0.732 297 K HN 0.385 nan 8.250 nan 0.000 0.451 298 I N 0.324 120.730 120.570 -0.274 0.000 2.400 298 I HA -0.140 4.031 4.170 0.002 0.000 0.248 298 I C 2.393 178.429 176.117 -0.135 0.000 1.109 298 I CA 0.543 61.720 61.300 -0.206 0.000 1.425 298 I CB -0.267 37.625 38.000 -0.181 0.000 1.094 298 I HN 0.059 nan 8.210 nan 0.000 0.425 299 A N 0.531 123.291 122.820 -0.100 0.000 1.972 299 A HA -0.133 4.188 4.320 0.002 0.000 0.219 299 A C 2.320 179.780 177.584 -0.208 0.000 1.169 299 A CA 1.605 53.588 52.037 -0.089 0.000 0.635 299 A CB -0.711 18.291 19.000 0.003 0.000 0.810 299 A HN 0.272 nan 8.150 nan 0.000 0.446 300 V N -0.889 118.796 119.914 -0.381 0.000 2.788 300 V HA -0.033 4.089 4.120 0.002 0.000 0.251 300 V C 2.843 178.780 176.094 -0.262 0.000 1.068 300 V CA 1.371 63.430 62.300 -0.402 0.000 1.090 300 V CB -0.629 30.821 31.823 -0.622 0.000 0.710 300 V HN 0.578 nan 8.190 nan 0.000 0.467 301 A N -0.046 122.645 122.820 -0.214 0.000 1.970 301 A HA -0.086 4.235 4.320 0.002 0.000 0.216 301 A C 2.081 179.604 177.584 -0.103 0.000 1.170 301 A CA 1.471 53.424 52.037 -0.141 0.000 0.645 301 A CB -0.380 18.551 19.000 -0.114 0.000 0.816 301 A HN 0.431 nan 8.150 nan 0.000 0.447 302 L N -0.208 120.959 121.223 -0.094 0.000 2.093 302 L HA 0.002 4.343 4.340 0.002 0.000 0.208 302 L C 2.627 179.463 176.870 -0.057 0.000 1.085 302 L CA 1.942 56.750 54.840 -0.053 0.000 0.755 302 L CB -0.685 41.362 42.059 -0.021 0.000 0.904 302 L HN 0.330 nan 8.230 nan 0.000 0.435 303 A N -0.936 121.834 122.820 -0.084 0.000 1.865 303 A HA -0.193 4.128 4.320 0.002 0.000 0.217 303 A C 2.274 179.791 177.584 -0.111 0.000 1.191 303 A CA 2.249 54.233 52.037 -0.088 0.000 0.623 303 A CB -1.236 17.681 19.000 -0.138 0.000 0.826 303 A HN 0.289 nan 8.150 nan 0.000 0.444 304 V N -0.182 119.649 119.914 -0.138 0.000 2.332 304 V HA -0.282 3.839 4.120 0.002 0.000 0.248 304 V C 3.055 179.098 176.094 -0.085 0.000 1.055 304 V CA 2.099 64.324 62.300 -0.125 0.000 1.038 304 V CB -1.259 30.491 31.823 -0.121 0.000 0.651 304 V HN 0.650 nan 8.190 nan 0.000 0.450 305 A N -0.210 122.566 122.820 -0.073 0.000 1.877 305 A HA -0.095 4.226 4.320 0.002 0.000 0.216 305 A C 2.430 179.969 177.584 -0.075 0.000 1.186 305 A CA 2.096 54.093 52.037 -0.067 0.000 0.620 305 A CB -0.857 18.110 19.000 -0.054 0.000 0.822 305 A HN 0.566 nan 8.150 nan 0.000 0.443 306 A N 0.256 123.038 122.820 -0.064 0.000 1.842 306 A HA -0.028 4.293 4.320 0.002 0.000 0.217 306 A C 1.172 178.717 177.584 -0.066 0.000 1.206 306 A CA 1.043 53.044 52.037 -0.060 0.000 0.630 306 A CB -0.969 18.011 19.000 -0.034 0.000 0.839 306 A HN 0.504 nan 8.150 nan 0.000 0.447 307 I N 2.202 122.738 120.570 -0.057 0.000 3.015 307 I HA -0.055 4.116 4.170 0.002 0.000 0.309 307 I C -1.998 174.109 176.117 -0.017 0.000 1.229 307 I CA -0.519 60.753 61.300 -0.046 0.000 1.430 307 I CB 0.361 38.326 38.000 -0.057 0.000 1.347 307 I HN 0.270 nan 8.210 nan 0.000 0.544 308 P HA 0.127 nan 4.420 nan 0.000 0.283 308 P C -0.785 176.645 177.300 0.218 0.000 1.412 308 P CA -0.454 62.691 63.100 0.074 0.000 0.912 308 P CB 0.614 32.369 31.700 0.092 0.000 1.132 309 E N 2.257 122.554 120.200 0.161 0.000 2.280 309 E HA 0.362 4.713 4.350 0.002 0.000 0.261 309 E C 0.908 177.675 176.600 0.278 0.000 1.088 309 E CA -0.713 55.823 56.400 0.226 0.000 0.915 309 E CB 0.014 29.792 29.700 0.131 0.000 1.141 309 E HN 0.545 nan 8.360 nan 0.000 0.433 310 G N 0.048 108.999 108.800 0.252 0.000 2.143 310 G HA2 -0.319 3.642 3.960 0.002 0.000 0.249 310 G HA3 -0.319 3.642 3.960 0.002 0.000 0.249 310 G C 0.499 175.454 174.900 0.092 0.000 0.981 310 G CA 0.490 45.699 45.100 0.182 0.000 0.665 310 G HN 0.480 nan 8.290 nan 0.000 0.528 311 L N 1.052 122.346 121.223 0.119 0.000 1.976 311 L HA 0.117 4.459 4.340 0.002 0.000 0.209 311 L C 0.567 177.202 176.870 -0.392 0.000 1.071 311 L CA 3.210 57.934 54.840 -0.193 0.000 0.746 311 L CB -0.834 41.000 42.059 -0.374 0.000 0.890 311 L HN 0.202 nan 8.230 nan 0.000 0.432 312 P HA -0.217 nan 4.420 nan 0.000 0.215 312 P C 1.471 178.637 177.300 -0.223 0.000 1.157 312 P CA 2.185 65.126 63.100 -0.264 0.000 0.874 312 P CB -0.222 31.410 31.700 -0.114 0.000 0.790 313 A N -0.713 122.003 122.820 -0.172 0.000 1.858 313 A HA -0.174 4.147 4.320 0.002 0.000 0.216 313 A C 2.346 179.762 177.584 -0.279 0.000 1.190 313 A CA 2.108 54.040 52.037 -0.175 0.000 0.617 313 A CB -1.745 17.189 19.000 -0.110 0.000 0.827 313 A HN 0.030 nan 8.150 nan 0.000 0.443 314 V N 0.288 119.965 119.914 -0.395 0.000 2.343 314 V HA -0.282 3.839 4.120 0.002 0.000 0.247 314 V C 2.434 178.190 176.094 -0.565 0.000 1.051 314 V CA 2.046 63.994 62.300 -0.588 0.000 1.036 314 V CB -0.770 30.410 31.823 -1.072 0.000 0.654 314 V HN 0.558 nan 8.190 nan 0.000 0.451 315 I N -0.028 120.223 120.570 -0.533 0.000 2.179 315 I HA -0.247 3.924 4.170 0.002 0.000 0.242 315 I C 2.590 178.528 176.117 -0.298 0.000 1.088 315 I CA 1.957 63.009 61.300 -0.412 0.000 1.357 315 I CB -0.661 37.118 38.000 -0.368 0.000 1.051 315 I HN 0.298 nan 8.210 nan 0.000 0.409 316 T N 0.000 114.400 114.554 -0.257 0.000 2.788 316 T HA -0.162 4.189 4.350 0.002 0.000 0.268 316 T C 1.865 176.452 174.700 -0.189 0.000 1.044 316 T CA 1.951 63.938 62.100 -0.189 0.000 1.139 316 T CB -0.258 68.518 68.868 -0.153 0.000 0.867 316 T HN 0.387 nan 8.240 nan 0.000 0.454 317 T N 0.964 115.377 114.554 -0.235 0.000 2.737 317 T HA -0.093 4.258 4.350 0.002 0.000 0.265 317 T C 2.330 176.895 174.700 -0.224 0.000 1.038 317 T CA 1.099 63.065 62.100 -0.224 0.000 1.144 317 T CB -0.622 68.078 68.868 -0.280 0.000 0.866 317 T HN 0.446 nan 8.240 nan 0.000 0.434 318 C N 1.144 120.270 119.300 -0.289 0.000 2.432 318 C HA 0.008 4.469 4.460 0.002 0.000 0.277 318 C C 2.629 177.514 174.990 -0.175 0.000 1.249 318 C CA 0.222 59.087 59.018 -0.254 0.000 1.725 318 C CB -1.349 26.217 27.740 -0.290 0.000 2.028 318 C HN 0.461 nan 8.230 nan 0.000 0.477 319 L N 1.982 123.103 121.223 -0.170 0.000 2.012 319 L HA -0.069 4.272 4.340 0.002 0.000 0.210 319 L C 2.564 179.368 176.870 -0.110 0.000 1.073 319 L CA 2.458 57.222 54.840 -0.128 0.000 0.748 319 L CB -1.118 40.867 42.059 -0.123 0.000 0.891 319 L HN 0.283 nan 8.230 nan 0.000 0.431 320 A N -0.673 122.080 122.820 -0.112 0.000 1.873 320 A HA -0.134 4.187 4.320 0.002 0.000 0.215 320 A C 2.251 179.783 177.584 -0.087 0.000 1.186 320 A CA 1.902 53.884 52.037 -0.090 0.000 0.616 320 A CB -0.839 18.110 19.000 -0.084 0.000 0.823 320 A HN 0.507 nan 8.150 nan 0.000 0.442 321 L N -0.788 120.381 121.223 -0.089 0.000 2.093 321 L HA -0.065 4.276 4.340 0.002 0.000 0.208 321 L C 2.827 179.643 176.870 -0.090 0.000 1.085 321 L CA 0.931 55.725 54.840 -0.077 0.000 0.755 321 L CB -0.878 41.150 42.059 -0.052 0.000 0.904 321 L HN 0.483 nan 8.230 nan 0.000 0.435 322 G N -0.457 108.286 108.800 -0.096 0.000 2.418 322 G HA2 -0.240 3.721 3.960 0.002 0.000 0.217 322 G HA3 -0.240 3.721 3.960 0.002 0.000 0.217 322 G C 1.575 176.411 174.900 -0.107 0.000 1.158 322 G CA 1.322 46.366 45.100 -0.094 0.000 0.771 322 G HN 0.267 nan 8.290 nan 0.000 0.545 323 T N -0.120 114.368 114.554 -0.111 0.000 2.962 323 T HA -0.031 4.320 4.350 0.002 0.000 0.270 323 T C 2.258 176.842 174.700 -0.193 0.000 1.088 323 T CA 1.018 63.042 62.100 -0.127 0.000 1.127 323 T CB -0.018 68.788 68.868 -0.103 0.000 0.883 323 T HN 0.312 nan 8.240 nan 0.000 0.493 324 R N 0.955 121.337 120.500 -0.198 0.000 2.066 324 R HA 0.020 4.361 4.340 0.002 0.000 0.232 324 R C 2.548 178.654 176.300 -0.323 0.000 1.131 324 R CA 1.165 57.079 56.100 -0.310 0.000 0.955 324 R CB -0.060 30.135 30.300 -0.175 0.000 0.851 324 R HN 0.244 nan 8.270 nan 0.000 0.432 325 R N -0.140 120.247 120.500 -0.189 0.000 2.105 325 R HA -0.126 4.215 4.340 0.002 0.000 0.239 325 R C 2.390 178.597 176.300 -0.155 0.000 1.135 325 R CA 1.992 58.005 56.100 -0.145 0.000 0.967 325 R CB -0.208 30.036 30.300 -0.093 0.000 0.861 325 R HN 0.324 nan 8.270 nan 0.000 0.442 326 M N -0.462 119.040 119.600 -0.163 0.000 2.067 326 M HA -0.147 4.334 4.480 0.002 0.000 0.260 326 M C 2.505 178.704 176.300 -0.169 0.000 1.069 326 M CA 1.858 57.073 55.300 -0.142 0.000 1.117 326 M CB -0.304 32.220 32.600 -0.126 0.000 1.334 326 M HN 0.245 nan 8.290 nan 0.000 0.407 327 A N -0.079 122.576 122.820 -0.275 0.000 1.972 327 A HA -0.189 4.132 4.320 0.002 0.000 0.219 327 A C 2.041 179.472 177.584 -0.253 0.000 1.169 327 A CA 1.792 53.639 52.037 -0.316 0.000 0.635 327 A CB -0.525 18.081 19.000 -0.656 0.000 0.810 327 A HN 0.319 nan 8.150 nan 0.000 0.446 328 K N 0.367 120.588 120.400 -0.298 0.000 2.211 328 K HA -0.083 4.238 4.320 0.002 0.000 0.204 328 K C 1.165 177.742 176.600 -0.038 0.000 1.047 328 K CA 1.550 57.772 56.287 -0.108 0.000 0.935 328 K CB -0.113 32.326 32.500 -0.102 0.000 0.728 328 K HN 0.492 nan 8.250 nan 0.000 0.452 329 K N 0.151 120.512 120.400 -0.064 0.000 2.437 329 K HA 0.174 4.495 4.320 0.002 0.000 0.205 329 K C -0.394 176.187 176.600 -0.032 0.000 1.026 329 K CA 0.123 56.387 56.287 -0.038 0.000 1.153 329 K CB 0.398 32.869 32.500 -0.049 0.000 0.863 329 K HN 0.137 nan 8.250 nan 0.000 0.502 330 N N -0.215 118.471 118.700 -0.024 0.000 2.925 330 N HA -0.150 4.591 4.740 0.002 0.000 0.244 330 N C -0.608 174.885 175.510 -0.027 0.000 1.000 330 N CA 1.016 54.061 53.050 -0.009 0.000 0.895 330 N CB -1.279 37.208 38.487 0.000 0.000 1.119 330 N HN 0.318 nan 8.380 nan 0.000 0.569 331 A N 1.126 123.914 122.820 -0.054 0.000 2.280 331 A HA 0.565 4.886 4.320 0.002 0.000 0.320 331 A C 0.422 177.969 177.584 -0.061 0.000 1.366 331 A CA -0.400 51.601 52.037 -0.061 0.000 0.938 331 A CB 0.303 19.256 19.000 -0.079 0.000 1.157 331 A HN 0.191 nan 8.150 nan 0.000 0.536 332 I N 4.227 124.775 120.570 -0.037 0.000 2.291 332 I HA 0.185 4.356 4.170 0.002 0.000 0.290 332 I C -0.302 175.797 176.117 -0.030 0.000 1.050 332 I CA -0.336 60.950 61.300 -0.024 0.000 1.245 332 I CB 0.772 38.777 38.000 0.008 0.000 1.405 332 I HN 0.234 nan 8.210 nan 0.000 0.478 333 V N 8.052 127.941 119.914 -0.042 0.000 2.259 333 V HA 0.216 4.337 4.120 0.002 0.000 0.267 333 V C 1.600 177.676 176.094 -0.030 0.000 1.051 333 V CA -0.658 61.618 62.300 -0.039 0.000 0.830 333 V CB 0.612 32.404 31.823 -0.052 0.000 1.080 333 V HN 0.756 nan 8.190 nan 0.000 0.467 334 R N 2.500 122.989 120.500 -0.019 0.000 2.082 334 R HA -0.061 4.280 4.340 0.002 0.000 0.234 334 R C 0.879 177.168 176.300 -0.019 0.000 1.136 334 R CA 1.386 57.478 56.100 -0.013 0.000 0.935 334 R CB -0.358 29.937 30.300 -0.009 0.000 0.842 334 R HN 0.493 nan 8.270 nan 0.000 0.430 335 S N 1.489 117.176 115.700 -0.022 0.000 2.405 335 S HA 0.207 4.679 4.470 0.002 0.000 0.291 335 S C 1.179 175.761 174.600 -0.030 0.000 1.137 335 S CA -0.496 57.690 58.200 -0.024 0.000 1.061 335 S CB 1.045 64.232 63.200 -0.021 0.000 1.001 335 S HN 0.230 nan 8.310 nan 0.000 0.507 336 L N 3.871 125.075 121.223 -0.033 0.000 2.129 336 L HA -0.101 4.240 4.340 0.002 0.000 0.212 336 L C -0.867 175.981 176.870 -0.036 0.000 1.087 336 L CA 1.183 55.999 54.840 -0.040 0.000 0.757 336 L CB -1.504 40.528 42.059 -0.045 0.000 0.896 336 L HN 0.418 nan 8.230 nan 0.000 0.434 337 P HA -0.052 nan 4.420 nan 0.000 0.239 337 P C 1.309 178.595 177.300 -0.024 0.000 1.184 337 P CA 0.878 63.963 63.100 -0.024 0.000 0.760 337 P CB 0.198 31.886 31.700 -0.020 0.000 0.884 338 S N -1.042 114.641 115.700 -0.028 0.000 2.470 338 S HA -0.049 4.422 4.470 0.002 0.000 0.222 338 S C 1.859 176.439 174.600 -0.034 0.000 1.024 338 S CA 0.655 58.837 58.200 -0.030 0.000 0.931 338 S CB -0.869 62.312 63.200 -0.031 0.000 0.791 338 S HN 0.137 nan 8.310 nan 0.000 0.513 339 V N 1.359 121.251 119.914 -0.036 0.000 2.594 339 V HA -0.139 3.982 4.120 0.002 0.000 0.253 339 V C 1.953 178.030 176.094 -0.028 0.000 1.069 339 V CA 2.060 64.338 62.300 -0.038 0.000 1.082 339 V CB -0.593 31.205 31.823 -0.042 0.000 0.680 339 V HN 0.482 nan 8.190 nan 0.000 0.469 340 E N 0.605 120.795 120.200 -0.018 0.000 2.038 340 E HA -0.219 4.132 4.350 0.002 0.000 0.195 340 E C 2.219 178.795 176.600 -0.040 0.000 1.000 340 E CA 2.301 58.697 56.400 -0.006 0.000 0.803 340 E CB -0.310 29.392 29.700 0.003 0.000 0.750 340 E HN 0.751 nan 8.360 nan 0.000 0.448 341 T N 2.181 116.711 114.554 -0.039 0.000 2.708 341 T HA -0.142 4.209 4.350 0.002 0.000 0.266 341 T C 1.895 176.563 174.700 -0.053 0.000 1.037 341 T CA 0.820 62.892 62.100 -0.046 0.000 1.146 341 T CB -0.300 68.546 68.868 -0.036 0.000 0.865 341 T HN 0.167 nan 8.240 nan 0.000 0.435 342 L N 0.925 122.118 121.223 -0.050 0.000 2.013 342 L HA -0.152 4.190 4.340 0.002 0.000 0.212 342 L C 2.768 179.600 176.870 -0.063 0.000 1.073 342 L CA 2.052 56.858 54.840 -0.056 0.000 0.753 342 L CB -1.121 40.904 42.059 -0.056 0.000 0.890 342 L HN 0.435 nan 8.230 nan 0.000 0.432 343 G N -1.585 107.177 108.800 -0.063 0.000 2.479 343 G HA2 -0.252 3.709 3.960 0.002 0.000 0.220 343 G HA3 -0.252 3.709 3.960 0.002 0.000 0.220 343 G C 1.293 176.132 174.900 -0.101 0.000 1.115 343 G CA 0.868 45.924 45.100 -0.074 0.000 0.757 343 G HN 0.537 nan 8.290 nan 0.000 0.560 344 C N 1.097 120.336 119.300 -0.101 0.000 2.754 344 C HA 0.270 4.731 4.460 0.002 0.000 0.276 344 C C 1.281 176.230 174.990 -0.068 0.000 1.264 344 C CA -0.889 58.068 59.018 -0.101 0.000 1.700 344 C CB -1.108 26.568 27.740 -0.107 0.000 1.885 344 C HN 0.249 nan 8.230 nan 0.000 0.607 345 T N 1.967 116.485 114.554 -0.060 0.000 2.891 345 T HA 0.064 4.415 4.350 0.002 0.000 0.296 345 T C 1.161 175.839 174.700 -0.036 0.000 1.025 345 T CA 1.033 63.106 62.100 -0.045 0.000 1.149 345 T CB 0.459 69.296 68.868 -0.052 0.000 1.007 345 T HN 0.692 nan 8.240 nan 0.000 0.528 346 S N 1.198 116.886 115.700 -0.020 0.000 2.632 346 S HA 0.379 4.850 4.470 0.002 0.000 0.237 346 S C 0.077 174.680 174.600 0.005 0.000 1.037 346 S CA -0.453 57.740 58.200 -0.010 0.000 1.009 346 S CB 0.524 63.720 63.200 -0.008 0.000 0.974 346 S HN 0.412 nan 8.310 nan 0.000 0.544 347 V N 2.323 122.245 119.914 0.012 0.000 2.711 347 V HA 0.504 4.625 4.120 0.002 0.000 0.304 347 V C -1.263 174.852 176.094 0.035 0.000 1.097 347 V CA -0.697 61.622 62.300 0.031 0.000 0.906 347 V CB 1.846 33.694 31.823 0.042 0.000 1.015 347 V HN 0.406 nan 8.190 nan 0.000 0.427 348 I N 3.594 124.202 120.570 0.063 0.000 2.355 348 I HA 0.444 4.615 4.170 0.002 0.000 0.288 348 I C -0.510 175.679 176.117 0.121 0.000 0.999 348 I CA -0.255 61.097 61.300 0.086 0.000 1.163 348 I CB 1.592 39.663 38.000 0.118 0.000 1.316 348 I HN 0.504 nan 8.210 nan 0.000 0.454 349 C N 4.409 123.763 119.300 0.090 0.000 2.273 349 C HA 0.562 5.023 4.460 0.002 0.000 0.328 349 C C 0.598 175.645 174.990 0.094 0.000 1.275 349 C CA -0.354 58.713 59.018 0.082 0.000 1.704 349 C CB 0.477 28.244 27.740 0.044 0.000 2.326 349 C HN 0.785 nan 8.230 nan 0.000 0.517 350 S N 2.467 118.228 115.700 0.101 0.000 2.521 350 S HA 0.396 4.867 4.470 0.002 0.000 0.295 350 S C -0.762 173.865 174.600 0.046 0.000 1.098 350 S CA -0.532 57.735 58.200 0.111 0.000 0.999 350 S CB 0.672 64.017 63.200 0.241 0.000 1.034 350 S HN 0.758 nan 8.310 nan 0.000 0.483 351 D N 2.695 123.121 120.400 0.044 0.000 2.362 351 D HA 0.125 4.766 4.640 0.002 0.000 0.242 351 D C 0.812 177.113 176.300 0.001 0.000 1.132 351 D CA -0.066 53.947 54.000 0.021 0.000 0.907 351 D CB 1.090 41.904 40.800 0.023 0.000 1.195 351 D HN 0.591 nan 8.370 nan 0.000 0.429 352 K N 0.303 120.694 120.400 -0.015 0.000 2.017 352 K HA -0.028 4.293 4.320 0.002 0.000 0.207 352 K C 0.281 176.866 176.600 -0.026 0.000 1.035 352 K CA 0.456 56.719 56.287 -0.039 0.000 0.947 352 K CB -0.092 32.381 32.500 -0.044 0.000 0.749 352 K HN 0.276 nan 8.250 nan 0.000 0.443 353 T N 1.123 115.668 114.554 -0.014 0.000 2.708 353 T HA 0.111 4.462 4.350 0.002 0.000 0.271 353 T C 0.656 175.354 174.700 -0.004 0.000 0.985 353 T CA 0.958 63.052 62.100 -0.010 0.000 1.229 353 T CB -0.077 68.790 68.868 -0.001 0.000 0.934 353 T HN 0.691 nan 8.240 nan 0.000 0.522 354 G N 3.237 112.031 108.800 -0.010 0.000 2.195 354 G HA2 -0.296 3.666 3.960 0.002 0.000 0.246 354 G HA3 -0.296 3.666 3.960 0.002 0.000 0.246 354 G C 0.853 175.759 174.900 0.010 0.000 0.984 354 G CA 0.459 45.557 45.100 -0.003 0.000 0.633 354 G HN 0.677 nan 8.290 nan 0.000 0.525 355 T N -0.378 114.187 114.554 0.018 0.000 3.138 355 T HA 0.340 4.691 4.350 0.002 0.000 0.245 355 T C 2.262 177.002 174.700 0.066 0.000 0.982 355 T CA 0.930 63.064 62.100 0.056 0.000 1.134 355 T CB 0.078 68.992 68.868 0.077 0.000 1.032 355 T HN 0.126 nan 8.240 nan 0.000 0.442 356 L N 0.492 121.713 121.223 -0.004 0.000 2.249 356 L HA 0.243 4.585 4.340 0.002 0.000 0.207 356 L C 0.987 177.814 176.870 -0.073 0.000 1.090 356 L CA 0.812 55.597 54.840 -0.092 0.000 0.802 356 L CB 0.264 42.194 42.059 -0.215 0.000 0.947 356 L HN 0.171 nan 8.230 nan 0.000 0.453 357 T N -1.666 112.854 114.554 -0.057 0.000 2.885 357 T HA 0.181 4.532 4.350 0.002 0.000 0.285 357 T C 1.112 175.783 174.700 -0.048 0.000 1.019 357 T CA -0.078 61.987 62.100 -0.058 0.000 1.010 357 T CB 1.820 70.652 68.868 -0.060 0.000 1.022 357 T HN 0.257 nan 8.240 nan 0.000 0.466 358 T N 0.539 115.054 114.554 -0.065 0.000 2.951 358 T HA -0.001 4.350 4.350 0.002 0.000 0.268 358 T C 1.088 175.733 174.700 -0.092 0.000 1.073 358 T CA 1.251 63.304 62.100 -0.079 0.000 1.134 358 T CB -0.411 68.389 68.868 -0.114 0.000 0.884 358 T HN 0.873 nan 8.240 nan 0.000 0.479 359 N N 0.400 119.047 118.700 -0.088 0.000 2.850 359 N HA -0.183 4.558 4.740 0.002 0.000 0.249 359 N C -1.043 174.393 175.510 -0.125 0.000 1.060 359 N CA 0.395 53.403 53.050 -0.069 0.000 0.825 359 N CB -0.880 37.588 38.487 -0.031 0.000 1.132 359 N HN 0.681 nan 8.380 nan 0.000 0.564 360 Q N 1.090 120.723 119.800 -0.278 0.000 2.401 360 Q HA 0.311 4.652 4.340 0.002 0.000 0.260 360 Q C -0.481 175.236 176.000 -0.472 0.000 1.034 360 Q CA -0.639 54.742 55.803 -0.703 0.000 0.737 360 Q CB 1.588 29.672 28.738 -1.090 0.000 1.227 360 Q HN 0.239 nan 8.270 nan 0.000 0.488 361 M N 2.031 121.545 119.600 -0.144 0.000 2.240 361 M HA -0.013 4.468 4.480 0.002 0.000 0.346 361 M C -0.838 175.453 176.300 -0.015 0.000 1.236 361 M CA 1.133 56.433 55.300 -0.001 0.000 0.986 361 M CB 0.323 32.996 32.600 0.121 0.000 1.786 361 M HN 0.434 nan 8.290 nan 0.000 0.457 362 S N 3.039 118.718 115.700 -0.036 0.000 2.541 362 S HA 0.655 5.126 4.470 0.002 0.000 0.280 362 S C -1.271 173.308 174.600 -0.034 0.000 1.112 362 S CA -0.993 57.184 58.200 -0.037 0.000 0.925 362 S CB 1.830 64.982 63.200 -0.080 0.000 1.067 362 S HN 0.523 nan 8.310 nan 0.000 0.479 363 V N 2.388 122.284 119.914 -0.030 0.000 2.432 363 V HA 0.206 4.327 4.120 0.002 0.000 0.275 363 V C 0.994 177.046 176.094 -0.070 0.000 1.043 363 V CA -0.401 61.873 62.300 -0.044 0.000 0.925 363 V CB 0.633 32.435 31.823 -0.035 0.000 0.985 363 V HN 1.232 nan 8.190 nan 0.000 0.466 364 C N 2.486 121.721 119.300 -0.108 0.000 3.403 364 C HA 0.515 4.976 4.460 0.002 0.000 0.317 364 C C 0.517 175.405 174.990 -0.171 0.000 1.346 364 C CA -0.565 58.377 59.018 -0.127 0.000 1.743 364 C CB -0.846 26.812 27.740 -0.137 0.000 2.308 364 C HN 0.739 nan 8.230 nan 0.000 0.675 365 K N 1.452 121.710 120.400 -0.238 0.000 2.502 365 K HA 0.761 5.082 4.320 0.002 0.000 0.257 365 K C -1.026 175.525 176.600 -0.083 0.000 0.938 365 K CA -0.303 55.790 56.287 -0.323 0.000 0.819 365 K CB 2.291 34.183 32.500 -1.013 0.000 1.333 365 K HN 0.566 nan 8.250 nan 0.000 0.434 366 M N 0.814 120.552 119.600 0.229 0.000 2.562 366 M HA 0.602 5.084 4.480 0.002 0.000 0.281 366 M C -1.791 174.887 176.300 0.630 0.000 1.195 366 M CA -0.956 54.573 55.300 0.382 0.000 0.888 366 M CB 1.778 34.449 32.600 0.118 0.000 1.731 366 M HN 0.601 nan 8.290 nan 0.000 0.493 367 F N 1.641 121.833 119.950 0.404 0.000 2.626 367 F HA 0.948 5.476 4.527 0.002 0.000 0.311 367 F C -1.585 174.332 175.800 0.195 0.000 1.088 367 F CA -1.066 57.117 58.000 0.306 0.000 0.949 367 F CB 1.528 40.637 39.000 0.182 0.000 1.322 367 F HN 0.835 nan 8.300 nan 0.000 0.461 368 I N -0.095 120.808 120.570 0.555 0.000 3.174 368 I HA 0.636 4.807 4.170 0.002 0.000 0.313 368 I C -1.342 175.027 176.117 0.420 0.000 1.155 368 I CA -1.403 60.115 61.300 0.363 0.000 0.977 368 I CB 1.965 40.088 38.000 0.204 0.000 1.248 368 I HN 0.535 nan 8.210 nan 0.000 0.453 369 I N 2.781 123.563 120.570 0.353 0.000 2.588 369 I HA 0.096 4.268 4.170 0.002 0.000 0.283 369 I C 0.849 177.088 176.117 0.203 0.000 1.119 369 I CA 0.513 61.977 61.300 0.273 0.000 1.419 369 I CB 0.334 38.492 38.000 0.263 0.000 1.394 369 I HN 0.730 nan 8.210 nan 0.000 0.562 370 D N 5.011 125.500 120.400 0.149 0.000 2.355 370 D HA 0.115 4.756 4.640 0.002 0.000 0.233 370 D C 0.055 176.429 176.300 0.123 0.000 0.997 370 D CA 1.195 55.280 54.000 0.142 0.000 0.920 370 D CB 0.545 41.402 40.800 0.096 0.000 1.063 370 D HN 0.464 nan 8.370 nan 0.000 0.465 371 K N -0.500 119.957 120.400 0.095 0.000 2.477 371 K HA 0.601 4.922 4.320 0.002 0.000 0.255 371 K C -1.434 175.215 176.600 0.081 0.000 0.952 371 K CA -0.906 55.432 56.287 0.085 0.000 0.826 371 K CB 3.469 36.010 32.500 0.069 0.000 1.331 371 K HN -0.200 nan 8.250 nan 0.000 0.437 372 V N 1.352 121.315 119.914 0.081 0.000 2.577 372 V HA 0.379 4.501 4.120 0.002 0.000 0.303 372 V C -1.441 174.702 176.094 0.081 0.000 1.042 372 V CA -0.587 61.763 62.300 0.082 0.000 0.872 372 V CB 1.788 33.659 31.823 0.080 0.000 0.998 372 V HN 0.878 nan 8.190 nan 0.000 0.423 373 D N 2.819 123.278 120.400 0.099 0.000 2.977 373 D HA 0.545 5.186 4.640 0.002 0.000 0.220 373 D C 0.497 176.872 176.300 0.125 0.000 1.267 373 D CA 0.653 54.707 54.000 0.089 0.000 0.884 373 D CB 1.790 42.627 40.800 0.063 0.000 1.667 373 D HN 0.962 nan 8.370 nan 0.000 0.536 374 G N 3.482 112.347 108.800 0.108 0.000 2.249 374 G HA2 -0.275 3.686 3.960 0.002 0.000 0.273 374 G HA3 -0.275 3.686 3.960 0.002 0.000 0.273 374 G C 0.383 175.438 174.900 0.259 0.000 1.036 374 G CA 0.512 45.693 45.100 0.135 0.000 0.824 374 G HN 0.833 nan 8.290 nan 0.000 0.504 375 D N -3.169 117.340 120.400 0.183 0.000 3.077 375 D HA -0.172 4.470 4.640 0.002 0.000 0.212 375 D C 0.305 176.605 176.300 0.001 0.000 1.125 375 D CA 1.776 55.838 54.000 0.102 0.000 0.970 375 D CB -1.474 39.375 40.800 0.081 0.000 1.110 375 D HN 0.534 nan 8.370 nan 0.000 0.419 376 F N 0.378 120.322 119.950 -0.010 0.000 2.579 376 F HA 0.570 5.098 4.527 0.002 0.000 0.324 376 F C 0.834 176.626 175.800 -0.013 0.000 1.058 376 F CA -0.819 57.170 58.000 -0.019 0.000 0.944 376 F CB 1.773 40.760 39.000 -0.022 0.000 1.245 376 F HN 0.169 nan 8.300 nan 0.000 0.477 377 C N 0.061 119.422 119.300 0.102 0.000 2.994 377 C HA 0.899 5.360 4.460 0.002 0.000 0.305 377 C C -0.511 174.500 174.990 0.035 0.000 1.251 377 C CA -0.871 58.184 59.018 0.060 0.000 1.478 377 C CB 0.877 28.630 27.740 0.022 0.000 1.922 377 C HN 0.955 nan 8.230 nan 0.000 0.472 378 S N 2.384 118.103 115.700 0.031 0.000 2.593 378 S HA 0.849 5.320 4.470 0.002 0.000 0.297 378 S C -0.852 173.739 174.600 -0.016 0.000 1.112 378 S CA -0.674 57.524 58.200 -0.003 0.000 1.043 378 S CB 0.980 64.187 63.200 0.011 0.000 1.054 378 S HN 0.891 nan 8.310 nan 0.000 0.516 379 L N 1.722 122.898 121.223 -0.078 0.000 2.342 379 L HA 0.536 4.877 4.340 0.002 0.000 0.271 379 L C -0.321 176.505 176.870 -0.073 0.000 1.008 379 L CA -1.001 53.786 54.840 -0.088 0.000 0.818 379 L CB 1.523 43.382 42.059 -0.333 0.000 1.296 379 L HN 0.635 nan 8.230 nan 0.000 0.427 380 N N 2.055 120.752 118.700 -0.005 0.000 2.485 380 N HA 0.239 4.981 4.740 0.002 0.000 0.243 380 N C -0.939 174.460 175.510 -0.186 0.000 0.987 380 N CA -0.216 52.733 53.050 -0.169 0.000 0.940 380 N CB 1.219 39.646 38.487 -0.100 0.000 1.122 380 N HN 0.577 nan 8.380 nan 0.000 0.509 381 E N 1.804 121.817 120.200 -0.311 0.000 2.191 381 E HA 0.420 4.771 4.350 0.002 0.000 0.278 381 E C -0.753 175.638 176.600 -0.349 0.000 0.972 381 E CA -0.369 55.999 56.400 -0.053 0.000 0.804 381 E CB 1.229 30.982 29.700 0.089 0.000 1.110 381 E HN 0.319 nan 8.360 nan 0.000 0.394 382 F N 0.456 120.476 119.950 0.117 0.000 2.603 382 F HA 0.394 4.922 4.527 0.002 0.000 0.317 382 F C 0.197 175.995 175.800 -0.002 0.000 1.066 382 F CA -0.887 57.120 58.000 0.012 0.000 0.941 382 F CB 1.961 40.929 39.000 -0.053 0.000 1.291 382 F HN 0.298 nan 8.300 nan 0.000 0.472 383 S N 1.143 116.938 115.700 0.158 0.000 2.536 383 S HA 0.899 5.370 4.470 0.002 0.000 0.298 383 S C -1.205 173.413 174.600 0.031 0.000 1.083 383 S CA -0.639 57.579 58.200 0.030 0.000 0.995 383 S CB 1.791 64.982 63.200 -0.015 0.000 1.058 383 S HN 0.380 nan 8.310 nan 0.000 0.488 384 I N 2.210 122.768 120.570 -0.020 0.000 2.465 384 I HA 0.471 4.642 4.170 0.002 0.000 0.291 384 I C 0.738 176.832 176.117 -0.037 0.000 1.014 384 I CA -0.295 60.989 61.300 -0.026 0.000 1.093 384 I CB 2.260 40.234 38.000 -0.043 0.000 1.267 384 I HN 0.958 nan 8.210 nan 0.000 0.431 385 T N 1.664 116.201 114.554 -0.029 0.000 2.849 385 T HA 0.870 5.221 4.350 0.002 0.000 0.276 385 T C 0.296 174.973 174.700 -0.037 0.000 0.971 385 T CA -0.201 61.881 62.100 -0.031 0.000 0.949 385 T CB 1.350 70.206 68.868 -0.020 0.000 1.093 385 T HN 1.493 nan 8.240 nan 0.000 0.545 386 G N -0.359 108.419 108.800 -0.036 0.000 2.907 386 G HA2 0.092 4.053 3.960 0.002 0.000 0.686 386 G HA3 0.092 4.053 3.960 0.002 0.000 0.686 386 G C -0.044 174.824 174.900 -0.052 0.000 1.115 386 G CA -0.229 44.848 45.100 -0.039 0.000 0.760 386 G HN 1.046 nan 8.290 nan 0.000 0.620 387 S N 0.088 115.753 115.700 -0.058 0.000 2.819 387 S HA 0.473 4.944 4.470 0.002 0.000 0.249 387 S C 0.926 175.450 174.600 -0.127 0.000 1.030 387 S CA 0.775 58.924 58.200 -0.084 0.000 1.052 387 S CB 0.626 63.784 63.200 -0.071 0.000 1.017 387 S HN 1.665 nan 8.310 nan 0.000 0.576 388 T N -1.918 112.568 114.554 -0.114 0.000 2.883 388 T HA 0.544 4.895 4.350 0.002 0.000 0.284 388 T C 0.325 174.951 174.700 -0.123 0.000 1.041 388 T CA -0.598 61.402 62.100 -0.167 0.000 1.007 388 T CB 0.511 69.350 68.868 -0.047 0.000 1.220 388 T HN -0.055 nan 8.240 nan 0.000 0.552 389 Y N 0.681 120.986 120.300 0.008 0.000 2.497 389 Y HA 0.369 4.920 4.550 0.002 0.000 0.292 389 Y C 2.010 177.855 175.900 -0.091 0.000 1.137 389 Y CA -0.088 58.005 58.100 -0.013 0.000 1.285 389 Y CB -1.176 37.306 38.460 0.036 0.000 0.991 389 Y HN 0.862 nan 8.280 nan 0.000 0.556 390 A N 2.768 125.616 122.820 0.047 0.000 2.567 390 A HA 0.039 4.360 4.320 0.002 0.000 0.240 390 A C -1.484 175.911 177.584 -0.315 0.000 1.053 390 A CA -0.837 51.041 52.037 -0.266 0.000 0.755 390 A CB -0.278 18.746 19.000 0.039 0.000 0.978 390 A HN 0.144 nan 8.150 nan 0.000 0.507 391 P HA 0.037 nan 4.420 nan 0.000 0.286 391 P C -0.428 176.770 177.300 -0.170 0.000 1.577 391 P CA 0.567 63.495 63.100 -0.285 0.000 0.805 391 P CB -0.276 31.239 31.700 -0.309 0.000 1.706 392 E N 0.154 120.279 120.200 -0.126 0.000 2.179 392 E HA 0.650 5.001 4.350 0.002 0.000 0.275 392 E C 0.476 177.049 176.600 -0.046 0.000 0.945 392 E CA -0.571 55.793 56.400 -0.061 0.000 0.792 392 E CB 1.600 31.287 29.700 -0.023 0.000 1.125 392 E HN 0.202 nan 8.360 nan 0.000 0.397 393 G N 1.893 110.672 108.800 -0.034 0.000 2.361 393 G HA2 0.126 4.087 3.960 0.002 0.000 0.331 393 G HA3 0.126 4.087 3.960 0.002 0.000 0.331 393 G C -1.576 173.308 174.900 -0.026 0.000 1.324 393 G CA -0.763 44.319 45.100 -0.029 0.000 0.984 393 G HN 0.575 nan 8.290 nan 0.000 0.586 394 E N -1.747 118.441 120.200 -0.020 0.000 2.429 394 E HA 0.700 5.051 4.350 0.002 0.000 0.276 394 E C -1.332 175.263 176.600 -0.008 0.000 0.953 394 E CA -1.058 55.334 56.400 -0.013 0.000 0.787 394 E CB 2.229 31.929 29.700 0.000 0.000 1.307 394 E HN 0.616 nan 8.360 nan 0.000 0.458 395 V N 1.643 121.556 119.914 -0.002 0.000 2.539 395 V HA 0.441 4.562 4.120 0.002 0.000 0.292 395 V C -0.208 175.934 176.094 0.080 0.000 1.045 395 V CA -0.467 61.842 62.300 0.016 0.000 0.945 395 V CB 0.890 32.684 31.823 -0.048 0.000 0.993 395 V HN 0.498 nan 8.190 nan 0.000 0.464 396 L N 4.198 125.500 121.223 0.130 0.000 2.409 396 L HA 0.651 4.992 4.340 0.002 0.000 0.262 396 L C -0.554 176.424 176.870 0.179 0.000 0.992 396 L CA -0.631 54.290 54.840 0.136 0.000 0.817 396 L CB 2.223 44.322 42.059 0.068 0.000 1.350 396 L HN 0.520 nan 8.230 nan 0.000 0.411 397 K N 2.457 122.922 120.400 0.108 0.000 2.502 397 K HA 0.371 4.692 4.320 0.002 0.000 0.254 397 K C -0.622 175.955 176.600 -0.038 0.000 0.947 397 K CA -0.426 55.824 56.287 -0.061 0.000 0.834 397 K CB 0.779 33.187 32.500 -0.153 0.000 1.112 397 K HN 0.702 nan 8.250 nan 0.000 0.427 398 N N 4.061 122.727 118.700 -0.057 0.000 2.754 398 N HA -0.193 4.548 4.740 0.002 0.000 0.248 398 N C -0.926 174.583 175.510 -0.002 0.000 1.093 398 N CA 1.458 54.491 53.050 -0.028 0.000 0.699 398 N CB -0.944 37.528 38.487 -0.025 0.000 1.016 398 N HN 1.029 nan 8.380 nan 0.000 0.552 399 D N -2.127 118.276 120.400 0.005 0.000 3.046 399 D HA -0.184 4.457 4.640 0.002 0.000 0.210 399 D C -0.263 176.051 176.300 0.024 0.000 1.124 399 D CA 1.368 55.376 54.000 0.013 0.000 0.986 399 D CB -0.600 40.204 40.800 0.007 0.000 1.118 399 D HN 0.583 nan 8.370 nan 0.000 0.416 400 K N 1.006 121.426 120.400 0.034 0.000 2.221 400 K HA 0.395 4.716 4.320 0.002 0.000 0.258 400 K C -2.398 174.241 176.600 0.065 0.000 0.944 400 K CA -1.529 54.785 56.287 0.044 0.000 0.823 400 K CB 2.281 34.807 32.500 0.044 0.000 1.113 400 K HN -0.112 nan 8.250 nan 0.000 0.431 401 P HA 0.059 nan 4.420 nan 0.000 0.269 401 P C -0.759 176.602 177.300 0.101 0.000 1.209 401 P CA -0.136 63.007 63.100 0.071 0.000 0.776 401 P CB 0.404 32.133 31.700 0.048 0.000 0.876 402 I N -1.622 119.025 120.570 0.129 0.000 3.102 402 I HA 0.585 4.756 4.170 0.002 0.000 0.310 402 I C -0.602 175.600 176.117 0.142 0.000 1.246 402 I CA -1.519 59.889 61.300 0.179 0.000 0.979 402 I CB 1.801 40.003 38.000 0.336 0.000 1.267 402 I HN 0.099 nan 8.210 nan 0.000 0.451 403 R N 1.537 122.119 120.500 0.137 0.000 2.368 403 R HA 0.499 4.841 4.340 0.002 0.000 0.302 403 R C 0.375 176.742 176.300 0.112 0.000 1.002 403 R CA -0.607 55.539 56.100 0.076 0.000 0.929 403 R CB 1.645 31.966 30.300 0.036 0.000 1.073 403 R HN 0.834 nan 8.270 nan 0.000 0.464 404 S N 1.583 117.296 115.700 0.022 0.000 2.428 404 S HA -0.087 4.385 4.470 0.002 0.000 0.230 404 S C 1.851 176.452 174.600 0.001 0.000 1.014 404 S CA 1.200 59.392 58.200 -0.015 0.000 0.957 404 S CB 0.051 63.157 63.200 -0.156 0.000 0.784 404 S HN 0.918 nan 8.310 nan 0.000 0.499 405 G N 1.358 110.131 108.800 -0.045 0.000 2.470 405 G HA2 -0.206 3.756 3.960 0.002 0.000 0.220 405 G HA3 -0.206 3.756 3.960 0.002 0.000 0.220 405 G C 1.197 176.066 174.900 -0.051 0.000 1.121 405 G CA 0.321 45.377 45.100 -0.074 0.000 0.766 405 G HN 0.514 nan 8.290 nan 0.000 0.553 406 Q N -0.899 118.871 119.800 -0.049 0.000 2.364 406 Q HA 0.030 4.371 4.340 0.002 0.000 0.209 406 Q C -0.298 175.416 176.000 -0.477 0.000 0.977 406 Q CA 0.390 56.046 55.803 -0.245 0.000 0.885 406 Q CB 0.049 28.602 28.738 -0.308 0.000 0.941 406 Q HN 0.543 nan 8.270 nan 0.000 0.464 407 F N 0.470 120.415 119.950 -0.008 0.000 2.434 407 F HA 0.200 4.728 4.527 0.002 0.000 0.355 407 F C 0.492 176.273 175.800 -0.031 0.000 1.115 407 F CA -0.988 57.022 58.000 0.017 0.000 1.010 407 F CB 1.290 40.328 39.000 0.064 0.000 1.234 407 F HN -0.159 nan 8.300 nan 0.000 0.439 408 D N 2.349 122.803 120.400 0.091 0.000 2.190 408 D HA -0.176 4.466 4.640 0.002 0.000 0.200 408 D C 2.237 178.566 176.300 0.047 0.000 0.992 408 D CA 1.514 55.542 54.000 0.046 0.000 0.854 408 D CB -0.104 40.720 40.800 0.041 0.000 0.936 408 D HN 0.795 nan 8.370 nan 0.000 0.462 409 G N 0.945 109.806 108.800 0.102 0.000 2.418 409 G HA2 -0.197 3.764 3.960 0.002 0.000 0.217 409 G HA3 -0.197 3.764 3.960 0.002 0.000 0.217 409 G C 1.806 176.697 174.900 -0.015 0.000 1.158 409 G CA 0.181 45.318 45.100 0.060 0.000 0.771 409 G HN 0.262 nan 8.290 nan 0.000 0.545 410 L N 0.289 121.501 121.223 -0.018 0.000 2.141 410 L HA -0.059 4.282 4.340 0.002 0.000 0.209 410 L C 2.954 179.722 176.870 -0.170 0.000 1.094 410 L CA 0.274 55.028 54.840 -0.143 0.000 0.763 410 L CB -0.376 41.551 42.059 -0.220 0.000 0.908 410 L HN 0.090 nan 8.230 nan 0.000 0.437 411 V N -0.081 119.745 119.914 -0.146 0.000 2.407 411 V HA -0.295 3.826 4.120 0.002 0.000 0.248 411 V C 2.438 178.425 176.094 -0.178 0.000 1.055 411 V CA 1.943 64.109 62.300 -0.224 0.000 1.049 411 V CB -0.378 31.338 31.823 -0.179 0.000 0.662 411 V HN 0.492 nan 8.190 nan 0.000 0.455 412 E N -0.382 119.748 120.200 -0.118 0.000 2.107 412 E HA -0.166 4.185 4.350 0.002 0.000 0.191 412 E C 2.245 178.737 176.600 -0.180 0.000 0.982 412 E CA 0.642 56.967 56.400 -0.125 0.000 0.809 412 E CB -0.057 29.607 29.700 -0.059 0.000 0.756 412 E HN 0.389 nan 8.360 nan 0.000 0.459 413 L N 1.201 122.323 121.223 -0.168 0.000 2.013 413 L HA -0.174 4.167 4.340 0.002 0.000 0.212 413 L C 2.245 178.996 176.870 -0.197 0.000 1.073 413 L CA 2.412 57.142 54.840 -0.184 0.000 0.753 413 L CB -1.410 40.541 42.059 -0.179 0.000 0.890 413 L HN 0.161 nan 8.230 nan 0.000 0.432 414 A N -1.455 121.241 122.820 -0.208 0.000 1.969 414 A HA -0.165 4.156 4.320 0.002 0.000 0.218 414 A C 2.211 179.666 177.584 -0.215 0.000 1.169 414 A CA 1.979 53.893 52.037 -0.204 0.000 0.635 414 A CB -0.895 17.966 19.000 -0.231 0.000 0.810 414 A HN 0.516 nan 8.150 nan 0.000 0.445 415 T N 0.459 114.857 114.554 -0.260 0.000 2.674 415 T HA -0.113 4.239 4.350 0.002 0.000 0.265 415 T C 1.809 176.206 174.700 -0.505 0.000 1.039 415 T CA 1.592 63.482 62.100 -0.350 0.000 1.150 415 T CB -0.423 68.200 68.868 -0.409 0.000 0.864 415 T HN 0.428 nan 8.240 nan 0.000 0.427 416 I N 0.856 121.107 120.570 -0.532 0.000 2.208 416 I HA -0.226 3.946 4.170 0.002 0.000 0.245 416 I C 2.588 178.579 176.117 -0.210 0.000 1.097 416 I CA 1.010 62.060 61.300 -0.418 0.000 1.363 416 I CB -0.473 37.399 38.000 -0.214 0.000 1.051 416 I HN 0.355 nan 8.210 nan 0.000 0.413 417 C N 0.569 119.765 119.300 -0.172 0.000 2.446 417 C HA 0.011 4.472 4.460 0.002 0.000 0.279 417 C C 3.047 177.979 174.990 -0.097 0.000 1.366 417 C CA 0.696 59.648 59.018 -0.109 0.000 1.763 417 C CB -1.218 26.461 27.740 -0.102 0.000 1.929 417 C HN 0.584 nan 8.230 nan 0.000 0.509 418 A N 0.024 122.768 122.820 -0.126 0.000 2.021 418 A HA 0.137 4.458 4.320 0.002 0.000 0.216 418 A C 2.023 179.562 177.584 -0.074 0.000 1.163 418 A CA 1.061 53.044 52.037 -0.091 0.000 0.676 418 A CB -0.253 18.694 19.000 -0.088 0.000 0.818 418 A HN 0.595 nan 8.150 nan 0.000 0.453 419 L N -1.872 119.289 121.223 -0.105 0.000 2.286 419 L HA 0.093 4.435 4.340 0.002 0.000 0.203 419 L C 1.234 178.115 176.870 0.017 0.000 1.068 419 L CA 0.076 54.892 54.840 -0.039 0.000 0.811 419 L CB -0.243 41.791 42.059 -0.042 0.000 0.989 419 L HN 0.322 nan 8.230 nan 0.000 0.467 420 C N 2.986 122.296 119.300 0.018 0.000 2.756 420 C HA 0.315 4.776 4.460 0.002 0.000 0.504 420 C C 0.174 175.181 174.990 0.028 0.000 1.028 420 C CA -0.209 58.841 59.018 0.053 0.000 1.167 420 C CB -2.354 25.430 27.740 0.074 0.000 1.444 420 C HN 0.394 nan 8.230 nan 0.000 0.577 421 N N 2.008 120.722 118.700 0.023 0.000 2.718 421 N HA 0.158 4.899 4.740 0.002 0.000 0.260 421 N C -0.732 174.786 175.510 0.012 0.000 1.089 421 N CA -0.214 52.842 53.050 0.010 0.000 1.021 421 N CB 1.252 39.732 38.487 -0.012 0.000 1.618 421 N HN 0.405 nan 8.380 nan 0.000 0.554 422 D N 0.748 121.156 120.400 0.012 0.000 2.368 422 D HA 0.203 4.844 4.640 0.002 0.000 0.218 422 D C -0.185 176.113 176.300 -0.004 0.000 1.112 422 D CA 0.321 54.329 54.000 0.013 0.000 0.834 422 D CB 0.560 41.374 40.800 0.025 0.000 0.953 422 D HN 0.302 nan 8.370 nan 0.000 0.505 423 S N -0.431 115.258 115.700 -0.018 0.000 2.766 423 S HA 0.740 5.211 4.470 0.002 0.000 0.307 423 S C 0.158 174.735 174.600 -0.038 0.000 1.121 423 S CA -0.624 57.554 58.200 -0.038 0.000 0.980 423 S CB 2.181 65.343 63.200 -0.064 0.000 1.159 423 S HN 0.236 nan 8.310 nan 0.000 0.546 424 S N -0.294 115.375 115.700 -0.051 0.000 2.672 424 S HA 0.746 5.217 4.470 0.002 0.000 0.271 424 S C -1.707 172.863 174.600 -0.050 0.000 1.171 424 S CA -0.716 57.463 58.200 -0.036 0.000 0.817 424 S CB 0.772 63.966 63.200 -0.010 0.000 1.150 424 S HN 0.426 nan 8.310 nan 0.000 0.478 425 L N 1.081 122.300 121.223 -0.007 0.000 2.313 425 L HA 0.914 5.255 4.340 0.002 0.000 0.268 425 L C -1.284 175.645 176.870 0.097 0.000 1.010 425 L CA 0.121 54.982 54.840 0.034 0.000 0.814 425 L CB 1.734 43.833 42.059 0.067 0.000 1.304 425 L HN 1.039 nan 8.230 nan 0.000 0.441 426 D N 0.831 121.326 120.400 0.159 0.000 2.937 426 D HA 0.225 4.866 4.640 0.002 0.000 0.215 426 D C -1.840 174.565 176.300 0.176 0.000 1.274 426 D CA -0.271 53.818 54.000 0.148 0.000 0.869 426 D CB 0.946 41.780 40.800 0.057 0.000 1.675 426 D HN 0.231 nan 8.370 nan 0.000 0.538 427 F N 3.969 123.897 119.950 -0.036 0.000 2.391 427 F HA 0.422 4.951 4.527 0.002 0.000 0.359 427 F C 0.028 175.732 175.800 -0.159 0.000 1.122 427 F CA -0.732 57.108 58.000 -0.267 0.000 1.120 427 F CB 0.743 39.458 39.000 -0.476 0.000 1.142 427 F HN 0.232 nan 8.300 nan 0.000 0.483 428 N N 5.690 123.992 118.700 -0.663 0.000 2.439 428 N HA 0.020 4.761 4.740 0.002 0.000 0.243 428 N C 0.804 175.924 175.510 -0.649 0.000 1.088 428 N CA 0.246 53.019 53.050 -0.462 0.000 0.940 428 N CB 0.495 38.788 38.487 -0.324 0.000 1.180 428 N HN 0.795 nan 8.380 nan 0.000 0.505 429 E N 1.246 121.262 120.200 -0.306 0.000 2.171 429 E HA -0.170 4.181 4.350 0.002 0.000 0.197 429 E C 1.002 177.520 176.600 -0.137 0.000 0.997 429 E CA 1.419 57.749 56.400 -0.117 0.000 0.810 429 E CB 0.238 29.968 29.700 0.050 0.000 0.738 429 E HN 0.609 nan 8.360 nan 0.000 0.467 430 T N 1.403 115.868 114.554 -0.148 0.000 2.643 430 T HA -0.145 4.206 4.350 0.002 0.000 0.264 430 T C 1.654 176.275 174.700 -0.132 0.000 1.045 430 T CA 1.295 63.330 62.100 -0.109 0.000 1.155 430 T CB -0.119 68.694 68.868 -0.091 0.000 0.863 430 T HN 0.139 nan 8.240 nan 0.000 0.420 431 K N 0.660 120.946 120.400 -0.190 0.000 2.432 431 K HA 0.252 4.573 4.320 0.002 0.000 0.196 431 K C 1.379 177.846 176.600 -0.221 0.000 1.038 431 K CA 0.414 56.596 56.287 -0.175 0.000 0.986 431 K CB 0.047 32.447 32.500 -0.166 0.000 0.782 431 K HN 0.424 nan 8.250 nan 0.000 0.485 432 G N 1.912 110.489 108.800 -0.372 0.000 2.273 432 G HA2 -0.244 3.717 3.960 0.002 0.000 0.280 432 G HA3 -0.244 3.717 3.960 0.002 0.000 0.280 432 G C -0.309 174.348 174.900 -0.406 0.000 1.047 432 G CA 0.415 45.314 45.100 -0.335 0.000 0.869 432 G HN 0.233 nan 8.290 nan 0.000 0.502 433 V N -0.782 118.672 119.914 -0.768 0.000 3.049 433 V HA 0.708 4.829 4.120 0.002 0.000 0.309 433 V C -0.566 175.274 176.094 -0.424 0.000 1.148 433 V CA -1.619 60.465 62.300 -0.359 0.000 0.990 433 V CB 1.667 33.419 31.823 -0.117 0.000 1.039 433 V HN 0.293 nan 8.190 nan 0.000 0.430 434 Y N 3.319 123.662 120.300 0.072 0.000 2.319 434 Y HA 0.494 5.046 4.550 0.002 0.000 0.328 434 Y C 0.721 176.685 175.900 0.107 0.000 1.133 434 Y CA 0.285 58.477 58.100 0.153 0.000 1.265 434 Y CB 0.829 39.436 38.460 0.245 0.000 1.218 434 Y HN 0.575 nan 8.280 nan 0.000 0.508 435 E N 2.307 122.628 120.200 0.203 0.000 2.336 435 E HA 0.338 4.689 4.350 0.002 0.000 0.267 435 E C -1.108 175.506 176.600 0.023 0.000 0.906 435 E CA -1.398 55.080 56.400 0.130 0.000 0.781 435 E CB 2.106 31.825 29.700 0.033 0.000 1.261 435 E HN 0.500 nan 8.360 nan 0.000 0.436 436 K N -0.556 119.769 120.400 -0.125 0.000 2.087 436 K HA 0.560 4.881 4.320 0.002 0.000 0.255 436 K C -0.765 175.746 176.600 -0.147 0.000 0.988 436 K CA -0.663 55.435 56.287 -0.315 0.000 0.915 436 K CB 1.117 33.213 32.500 -0.673 0.000 1.043 436 K HN 0.145 nan 8.250 nan 0.000 0.457 437 V N 1.503 121.336 119.914 -0.136 0.000 2.385 437 V HA 0.551 4.672 4.120 0.002 0.000 0.277 437 V C 0.145 176.193 176.094 -0.076 0.000 1.012 437 V CA 0.159 62.415 62.300 -0.073 0.000 0.832 437 V CB 0.057 31.856 31.823 -0.041 0.000 1.028 437 V HN 1.190 nan 8.190 nan 0.000 0.436 438 G N 3.708 112.467 108.800 -0.068 0.000 2.352 438 G HA2 -0.042 3.919 3.960 0.002 0.000 0.324 438 G HA3 -0.042 3.919 3.960 0.002 0.000 0.324 438 G C -0.863 173.997 174.900 -0.066 0.000 1.249 438 G CA -0.925 44.142 45.100 -0.056 0.000 1.053 438 G HN 0.449 nan 8.290 nan 0.000 0.492 439 E N 0.505 120.673 120.200 -0.054 0.000 2.376 439 E HA 0.420 4.771 4.350 0.002 0.000 0.266 439 E C 1.568 178.135 176.600 -0.054 0.000 1.009 439 E CA 0.505 56.877 56.400 -0.047 0.000 0.902 439 E CB 1.179 30.850 29.700 -0.047 0.000 0.972 439 E HN 1.077 nan 8.360 nan 0.000 0.439 440 A N 3.484 126.297 122.820 -0.013 0.000 1.940 440 A HA -0.181 4.140 4.320 0.002 0.000 0.219 440 A C 2.094 179.721 177.584 0.072 0.000 1.176 440 A CA 1.975 54.046 52.037 0.057 0.000 0.631 440 A CB -0.379 18.718 19.000 0.161 0.000 0.814 440 A HN 0.590 nan 8.150 nan 0.000 0.446 441 T N -0.261 114.310 114.554 0.029 0.000 2.915 441 T HA -0.080 4.271 4.350 0.002 0.000 0.269 441 T C 1.671 176.374 174.700 0.006 0.000 1.071 441 T CA 1.494 63.606 62.100 0.020 0.000 1.132 441 T CB -0.125 68.738 68.868 -0.009 0.000 0.878 441 T HN 0.646 nan 8.240 nan 0.000 0.479 442 E N 0.437 120.626 120.200 -0.018 0.000 2.140 442 E HA -0.016 4.335 4.350 0.002 0.000 0.191 442 E C 2.278 178.855 176.600 -0.039 0.000 0.973 442 E CA 0.864 57.248 56.400 -0.026 0.000 0.829 442 E CB -0.042 29.638 29.700 -0.033 0.000 0.781 442 E HN 0.359 nan 8.360 nan 0.000 0.466 443 T N 1.266 115.775 114.554 -0.075 0.000 2.915 443 T HA -0.086 4.265 4.350 0.002 0.000 0.269 443 T C 1.972 176.661 174.700 -0.018 0.000 1.071 443 T CA 0.976 62.994 62.100 -0.137 0.000 1.132 443 T CB -0.079 68.540 68.868 -0.416 0.000 0.878 443 T HN 0.177 nan 8.240 nan 0.000 0.479 444 A N 1.051 123.918 122.820 0.078 0.000 1.972 444 A HA 0.038 4.359 4.320 0.002 0.000 0.219 444 A C 2.106 179.711 177.584 0.034 0.000 1.169 444 A CA 1.016 53.124 52.037 0.118 0.000 0.635 444 A CB -0.556 18.506 19.000 0.103 0.000 0.810 444 A HN 0.341 nan 8.150 nan 0.000 0.446 445 L N -0.630 120.595 121.223 0.004 0.000 2.072 445 L HA -0.057 4.284 4.340 0.002 0.000 0.205 445 L C 2.687 179.535 176.870 -0.036 0.000 1.079 445 L CA 2.264 57.090 54.840 -0.024 0.000 0.752 445 L CB -1.202 40.841 42.059 -0.028 0.000 0.906 445 L HN 0.339 nan 8.230 nan 0.000 0.436 446 T N -1.318 113.215 114.554 -0.035 0.000 2.652 446 T HA -0.199 4.152 4.350 0.002 0.000 0.267 446 T C 1.786 176.462 174.700 -0.040 0.000 1.039 446 T CA 2.055 64.130 62.100 -0.042 0.000 1.153 446 T CB -0.364 68.474 68.868 -0.050 0.000 0.863 446 T HN 0.312 nan 8.240 nan 0.000 0.428 447 T N 2.209 116.750 114.554 -0.022 0.000 2.833 447 T HA -0.023 4.328 4.350 0.002 0.000 0.269 447 T C 1.882 176.557 174.700 -0.041 0.000 1.054 447 T CA 0.777 62.864 62.100 -0.022 0.000 1.135 447 T CB -0.385 68.516 68.868 0.054 0.000 0.869 447 T HN 0.157 nan 8.240 nan 0.000 0.466 448 L N 2.293 123.494 121.223 -0.038 0.000 2.027 448 L HA -0.032 4.309 4.340 0.002 0.000 0.206 448 L C 2.584 179.405 176.870 -0.081 0.000 1.074 448 L CA 1.564 56.369 54.840 -0.059 0.000 0.745 448 L CB -0.863 41.161 42.059 -0.060 0.000 0.898 448 L HN 0.242 nan 8.230 nan 0.000 0.433 449 V N -3.020 116.845 119.914 -0.083 0.000 2.407 449 V HA -0.166 3.955 4.120 0.002 0.000 0.248 449 V C 2.420 178.462 176.094 -0.086 0.000 1.055 449 V CA 1.665 63.906 62.300 -0.098 0.000 1.049 449 V CB -1.039 30.728 31.823 -0.093 0.000 0.662 449 V HN 0.446 nan 8.190 nan 0.000 0.455 450 E N 1.321 121.478 120.200 -0.073 0.000 2.085 450 E HA -0.174 4.177 4.350 0.002 0.000 0.194 450 E C 2.229 178.783 176.600 -0.076 0.000 0.994 450 E CA 1.852 58.209 56.400 -0.071 0.000 0.801 450 E CB -0.318 29.331 29.700 -0.085 0.000 0.743 450 E HN 0.740 nan 8.360 nan 0.000 0.453 451 K N -0.228 120.124 120.400 -0.080 0.000 2.155 451 K HA 0.054 4.375 4.320 0.002 0.000 0.203 451 K C 2.313 178.866 176.600 -0.079 0.000 1.052 451 K CA 0.795 57.037 56.287 -0.074 0.000 0.948 451 K CB -0.081 32.377 32.500 -0.070 0.000 0.728 451 K HN 0.087 nan 8.250 nan 0.000 0.448 452 M N 0.791 120.332 119.600 -0.099 0.000 2.099 452 M HA -0.115 4.366 4.480 0.002 0.000 0.262 452 M C 0.451 176.679 176.300 -0.120 0.000 1.067 452 M CA 0.673 55.897 55.300 -0.126 0.000 1.124 452 M CB -0.451 32.051 32.600 -0.163 0.000 1.353 452 M HN 0.132 nan 8.290 nan 0.000 0.410 453 N N 0.883 119.515 118.700 -0.112 0.000 2.669 453 N HA -0.133 4.608 4.740 0.002 0.000 0.266 453 N C 0.420 175.843 175.510 -0.145 0.000 1.024 453 N CA 0.555 53.549 53.050 -0.094 0.000 0.766 453 N CB -0.631 37.827 38.487 -0.049 0.000 0.898 453 N HN 0.352 nan 8.380 nan 0.000 0.548 454 V N -1.818 117.928 119.914 -0.280 0.000 2.469 454 V HA -0.118 4.003 4.120 0.002 0.000 0.251 454 V C 1.548 177.363 176.094 -0.466 0.000 1.064 454 V CA 1.841 63.880 62.300 -0.436 0.000 1.066 454 V CB -0.864 30.561 31.823 -0.663 0.000 0.667 454 V HN 0.343 nan 8.190 nan 0.000 0.461 455 F N 1.479 121.409 119.950 -0.034 0.000 2.713 455 F HA 0.452 4.980 4.527 0.002 0.000 0.294 455 F C 1.138 176.924 175.800 -0.023 0.000 1.152 455 F CA -0.362 57.621 58.000 -0.028 0.000 1.385 455 F CB -0.772 38.210 39.000 -0.029 0.000 0.981 455 F HN 0.162 nan 8.300 nan 0.000 0.514 456 N N 0.766 119.508 118.700 0.070 0.000 2.693 456 N HA -0.184 4.557 4.740 0.002 0.000 0.250 456 N C 0.003 175.548 175.510 0.059 0.000 1.033 456 N CA 1.000 54.078 53.050 0.047 0.000 0.747 456 N CB -1.356 37.155 38.487 0.040 0.000 0.964 456 N HN 0.223 nan 8.380 nan 0.000 0.540 457 T N 0.928 115.529 114.554 0.078 0.000 2.937 457 T HA -0.028 4.323 4.350 0.002 0.000 0.316 457 T C 0.838 175.556 174.700 0.030 0.000 1.079 457 T CA 0.095 62.231 62.100 0.060 0.000 1.131 457 T CB 1.060 69.966 68.868 0.065 0.000 1.000 457 T HN 0.158 nan 8.240 nan 0.000 0.549 458 E N 1.671 121.884 120.200 0.021 0.000 2.257 458 E HA 0.290 4.641 4.350 0.002 0.000 0.278 458 E C 0.487 177.091 176.600 0.007 0.000 1.049 458 E CA -0.288 56.119 56.400 0.011 0.000 0.876 458 E CB 0.331 30.035 29.700 0.008 0.000 1.035 458 E HN 0.423 nan 8.360 nan 0.000 0.419 459 V N 2.306 122.222 119.914 0.002 0.000 3.264 459 V HA 0.127 4.249 4.120 0.002 0.000 0.262 459 V C 1.878 177.969 176.094 -0.006 0.000 1.616 459 V CA 0.489 62.788 62.300 -0.002 0.000 1.033 459 V CB -0.423 31.397 31.823 -0.004 0.000 0.865 459 V HN 0.666 nan 8.190 nan 0.000 0.420 460 R N 2.300 122.797 120.500 -0.005 0.000 2.133 460 R HA -0.178 4.163 4.340 0.002 0.000 0.247 460 R C 1.138 177.433 176.300 -0.008 0.000 1.151 460 R CA 2.655 58.752 56.100 -0.005 0.000 0.971 460 R CB -0.910 29.388 30.300 -0.002 0.000 0.866 460 R HN 0.681 nan 8.270 nan 0.000 0.447 461 N N 0.180 118.876 118.700 -0.007 0.000 2.279 461 N HA 0.231 4.972 4.740 0.002 0.000 0.226 461 N C -0.551 174.951 175.510 -0.013 0.000 1.126 461 N CA -0.483 52.562 53.050 -0.009 0.000 0.846 461 N CB 0.456 38.940 38.487 -0.006 0.000 1.050 461 N HN 0.111 nan 8.380 nan 0.000 0.502 462 L N -0.144 121.070 121.223 -0.015 0.000 2.431 462 L HA 0.306 4.647 4.340 0.002 0.000 0.260 462 L C 0.900 177.750 176.870 -0.035 0.000 1.098 462 L CA -0.485 54.344 54.840 -0.018 0.000 0.800 462 L CB 1.256 43.309 42.059 -0.011 0.000 1.210 462 L HN 0.029 nan 8.230 nan 0.000 0.465 463 S N -0.198 115.478 115.700 -0.040 0.000 2.603 463 S HA 0.062 4.534 4.470 0.002 0.000 0.268 463 S C 0.821 175.350 174.600 -0.117 0.000 1.317 463 S CA -0.302 57.855 58.200 -0.073 0.000 1.012 463 S CB 1.170 64.339 63.200 -0.052 0.000 0.926 463 S HN 0.548 nan 8.310 nan 0.000 0.539 464 K N 1.933 122.180 120.400 -0.255 0.000 2.148 464 K HA 0.031 4.353 4.320 0.002 0.000 0.204 464 K C 1.649 178.039 176.600 -0.350 0.000 1.050 464 K CA 1.318 57.303 56.287 -0.504 0.000 0.942 464 K CB -0.393 31.340 32.500 -1.278 0.000 0.724 464 K HN 0.492 nan 8.250 nan 0.000 0.446 465 V N 0.674 120.480 119.914 -0.180 0.000 2.591 465 V HA -0.134 3.987 4.120 0.002 0.000 0.249 465 V C 1.732 177.850 176.094 0.040 0.000 1.053 465 V CA 1.540 63.843 62.300 0.004 0.000 1.068 465 V CB -0.297 31.549 31.823 0.039 0.000 0.689 465 V HN 0.317 nan 8.190 nan 0.000 0.462 466 E N 0.409 120.614 120.200 0.009 0.000 2.051 466 E HA -0.201 4.150 4.350 0.002 0.000 0.189 466 E C 2.357 178.979 176.600 0.038 0.000 0.979 466 E CA 0.901 57.314 56.400 0.021 0.000 0.803 466 E CB -0.205 29.497 29.700 0.004 0.000 0.761 466 E HN 0.296 nan 8.360 nan 0.000 0.451 467 R N 1.754 122.276 120.500 0.035 0.000 2.139 467 R HA -0.173 4.168 4.340 0.002 0.000 0.243 467 R C 2.022 178.369 176.300 0.078 0.000 1.145 467 R CA 1.602 57.730 56.100 0.046 0.000 0.976 467 R CB -0.816 29.512 30.300 0.046 0.000 0.866 467 R HN 0.174 nan 8.270 nan 0.000 0.449 468 A N 0.395 123.329 122.820 0.190 0.000 1.896 468 A HA -0.227 4.094 4.320 0.002 0.000 0.220 468 A C 1.454 179.089 177.584 0.085 0.000 1.206 468 A CA 2.214 54.395 52.037 0.239 0.000 0.647 468 A CB -0.438 18.752 19.000 0.318 0.000 0.828 468 A HN 0.590 nan 8.150 nan 0.000 0.455 469 N N -1.759 116.979 118.700 0.064 0.000 2.194 469 N HA 0.343 5.084 4.740 0.002 0.000 0.231 469 N C 1.316 176.838 175.510 0.020 0.000 1.247 469 N CA 0.685 53.753 53.050 0.030 0.000 0.884 469 N CB 0.367 38.873 38.487 0.033 0.000 1.146 469 N HN 0.434 nan 8.380 nan 0.000 0.516 470 A N 1.184 124.016 122.820 0.021 0.000 1.870 470 A HA -0.285 4.036 4.320 0.002 0.000 0.219 470 A C 2.346 179.942 177.584 0.020 0.000 1.286 470 A CA 2.054 54.102 52.037 0.017 0.000 0.682 470 A CB -1.232 17.776 19.000 0.013 0.000 0.844 470 A HN 0.454 nan 8.150 nan 0.000 0.460 471 C N -0.350 118.959 119.300 0.014 0.000 2.410 471 C HA -0.095 4.366 4.460 0.002 0.000 0.281 471 C C 2.589 177.596 174.990 0.029 0.000 1.318 471 C CA 0.974 60.008 59.018 0.027 0.000 1.776 471 C CB -1.781 25.957 27.740 -0.003 0.000 1.942 471 C HN 0.637 nan 8.230 nan 0.000 0.508 472 N N 0.735 119.439 118.700 0.008 0.000 2.270 472 N HA -0.080 4.661 4.740 0.002 0.000 0.181 472 N C 1.891 177.410 175.510 0.014 0.000 1.016 472 N CA 1.081 54.132 53.050 0.002 0.000 0.870 472 N CB -0.159 38.323 38.487 -0.010 0.000 0.979 472 N HN 0.456 nan 8.380 nan 0.000 0.431 473 S N 0.702 116.413 115.700 0.018 0.000 2.355 473 S HA -0.050 4.421 4.470 0.002 0.000 0.222 473 S C 2.305 176.915 174.600 0.016 0.000 1.031 473 S CA 0.550 58.760 58.200 0.015 0.000 0.993 473 S CB -0.170 63.038 63.200 0.014 0.000 0.859 473 S HN 0.057 nan 8.310 nan 0.000 0.453 474 V N 2.258 122.191 119.914 0.031 0.000 2.250 474 V HA -0.253 3.868 4.120 0.002 0.000 0.250 474 V C 2.061 178.166 176.094 0.018 0.000 1.060 474 V CA 1.893 64.208 62.300 0.025 0.000 1.030 474 V CB -0.669 31.211 31.823 0.095 0.000 0.643 474 V HN 0.456 nan 8.190 nan 0.000 0.445 475 I N -0.722 119.900 120.570 0.086 0.000 2.179 475 I HA -0.230 3.942 4.170 0.002 0.000 0.242 475 I C 2.684 178.812 176.117 0.019 0.000 1.088 475 I CA 1.520 62.872 61.300 0.087 0.000 1.357 475 I CB -0.429 37.623 38.000 0.086 0.000 1.051 475 I HN 0.205 nan 8.210 nan 0.000 0.409 476 R N 0.441 120.948 120.500 0.011 0.000 2.241 476 R HA -0.177 4.164 4.340 0.002 0.000 0.224 476 R C 1.993 178.294 176.300 0.002 0.000 1.101 476 R CA 0.985 57.089 56.100 0.007 0.000 0.995 476 R CB -0.219 30.086 30.300 0.008 0.000 0.870 476 R HN 0.571 nan 8.270 nan 0.000 0.463 477 Q N -0.185 119.607 119.800 -0.012 0.000 2.354 477 Q HA 0.053 4.394 4.340 0.002 0.000 0.203 477 Q C 1.808 177.785 176.000 -0.037 0.000 0.933 477 Q CA 0.567 56.356 55.803 -0.024 0.000 0.901 477 Q CB 0.346 29.063 28.738 -0.035 0.000 1.007 477 Q HN 0.317 nan 8.270 nan 0.000 0.495 478 L N -0.699 120.495 121.223 -0.049 0.000 2.249 478 L HA 0.135 4.476 4.340 0.002 0.000 0.207 478 L C 0.528 177.391 176.870 -0.011 0.000 1.090 478 L CA 0.322 55.127 54.840 -0.059 0.000 0.802 478 L CB 0.299 42.290 42.059 -0.113 0.000 0.947 478 L HN 0.202 nan 8.230 nan 0.000 0.453 479 M N 0.278 119.887 119.600 0.014 0.000 2.395 479 M HA 0.313 4.794 4.480 0.002 0.000 0.307 479 M C -0.801 175.529 176.300 0.049 0.000 1.091 479 M CA -0.286 55.045 55.300 0.051 0.000 0.919 479 M CB 1.973 34.631 32.600 0.097 0.000 1.662 479 M HN -0.139 nan 8.290 nan 0.000 0.440 480 K N 2.818 123.250 120.400 0.054 0.000 2.265 480 K HA 0.332 4.653 4.320 0.002 0.000 0.267 480 K C -0.608 176.029 176.600 0.062 0.000 0.994 480 K CA -0.458 55.859 56.287 0.050 0.000 0.860 480 K CB 1.493 34.019 32.500 0.043 0.000 1.099 480 K HN 0.634 nan 8.250 nan 0.000 0.448 481 K N 4.229 124.664 120.400 0.058 0.000 2.258 481 K HA 0.061 4.382 4.320 0.002 0.000 0.284 481 K C 0.216 176.849 176.600 0.055 0.000 1.051 481 K CA -0.053 56.262 56.287 0.047 0.000 0.923 481 K CB 0.788 33.315 32.500 0.044 0.000 1.046 481 K HN 0.762 nan 8.250 nan 0.000 0.474 482 E N 4.136 124.370 120.200 0.056 0.000 2.473 482 E HA 0.106 4.458 4.350 0.002 0.000 0.204 482 E C -0.345 176.408 176.600 0.256 0.000 0.994 482 E CA -0.230 56.252 56.400 0.137 0.000 0.945 482 E CB -0.022 29.786 29.700 0.180 0.000 0.990 482 E HN 0.468 nan 8.360 nan 0.000 0.493 483 F N -1.049 118.925 119.950 0.040 0.000 2.793 483 F HA 0.495 5.023 4.527 0.002 0.000 0.316 483 F C -1.774 174.042 175.800 0.028 0.000 1.147 483 F CA -1.079 56.929 58.000 0.013 0.000 0.930 483 F CB 1.147 40.123 39.000 -0.040 0.000 1.277 483 F HN -0.303 nan 8.300 nan 0.000 0.443 484 T N 3.169 117.875 114.554 0.253 0.000 2.841 484 T HA 0.580 4.931 4.350 0.002 0.000 0.283 484 T C -0.687 174.109 174.700 0.160 0.000 1.000 484 T CA -0.597 61.575 62.100 0.119 0.000 0.977 484 T CB 1.620 70.552 68.868 0.106 0.000 0.979 484 T HN 0.683 nan 8.240 nan 0.000 0.446 485 L N 3.354 124.582 121.223 0.007 0.000 2.302 485 L HA 0.306 4.647 4.340 0.002 0.000 0.285 485 L C 0.963 177.875 176.870 0.070 0.000 1.090 485 L CA -0.511 54.190 54.840 -0.231 0.000 0.866 485 L CB 0.243 41.974 42.059 -0.546 0.000 1.244 485 L HN 0.653 nan 8.230 nan 0.000 0.435 486 E N 1.795 122.160 120.200 0.275 0.000 2.565 486 E HA -0.147 4.204 4.350 0.002 0.000 0.268 486 E C -0.212 176.601 176.600 0.356 0.000 1.000 486 E CA 0.196 56.789 56.400 0.320 0.000 0.964 486 E CB 0.623 30.519 29.700 0.326 0.000 0.955 486 E HN 0.276 nan 8.360 nan 0.000 0.459 487 F N 2.219 122.266 119.950 0.162 0.000 2.553 487 F HA 0.025 4.553 4.527 0.002 0.000 0.356 487 F C 0.252 176.133 175.800 0.134 0.000 1.142 487 F CA 0.475 58.556 58.000 0.135 0.000 1.322 487 F CB 0.769 39.822 39.000 0.089 0.000 1.126 487 F HN 0.160 nan 8.300 nan 0.000 0.599 488 S N 5.656 120.992 115.700 -0.606 0.000 2.557 488 S HA 0.327 4.798 4.470 0.002 0.000 0.291 488 S C 0.567 174.823 174.600 -0.572 0.000 1.116 488 S CA -0.978 57.010 58.200 -0.354 0.000 0.992 488 S CB 1.586 64.674 63.200 -0.187 0.000 1.028 488 S HN 0.871 nan 8.310 nan 0.000 0.484 489 R N 2.119 122.516 120.500 -0.171 0.000 2.237 489 R HA -0.049 4.293 4.340 0.002 0.000 0.219 489 R C 0.392 176.635 176.300 -0.095 0.000 1.080 489 R CA 1.579 57.651 56.100 -0.046 0.000 0.995 489 R CB -0.682 29.665 30.300 0.079 0.000 0.875 489 R HN 0.767 nan 8.270 nan 0.000 0.462 490 D N 0.401 120.725 120.400 -0.126 0.000 2.117 490 D HA -0.185 4.456 4.640 0.002 0.000 0.198 490 D C 1.762 177.999 176.300 -0.105 0.000 0.982 490 D CA 1.346 55.287 54.000 -0.099 0.000 0.828 490 D CB -0.158 40.578 40.800 -0.107 0.000 0.967 490 D HN 0.463 nan 8.370 nan 0.000 0.464 491 R N 0.229 120.633 120.500 -0.161 0.000 2.335 491 R HA 0.214 4.555 4.340 0.002 0.000 0.210 491 R C 0.300 176.504 176.300 -0.159 0.000 0.892 491 R CA -0.199 55.824 56.100 -0.129 0.000 1.048 491 R CB 0.162 30.403 30.300 -0.098 0.000 1.067 491 R HN -0.126 nan 8.270 nan 0.000 0.524 492 K N 1.610 121.821 120.400 -0.315 0.000 3.071 492 K HA -0.182 4.139 4.320 0.002 0.000 0.265 492 K C -0.752 175.789 176.600 -0.098 0.000 1.060 492 K CA 0.993 57.144 56.287 -0.226 0.000 0.767 492 K CB -1.536 30.991 32.500 0.046 0.000 1.241 492 K HN 0.671 nan 8.250 nan 0.000 0.486 493 S N -1.131 114.379 115.700 -0.318 0.000 2.615 493 S HA 0.806 5.277 4.470 0.002 0.000 0.269 493 S C -0.593 174.015 174.600 0.014 0.000 1.161 493 S CA -0.974 57.234 58.200 0.014 0.000 0.817 493 S CB 2.478 65.701 63.200 0.039 0.000 1.131 493 S HN 0.362 nan 8.310 nan 0.000 0.467 494 M N -0.040 119.659 119.600 0.165 0.000 2.716 494 M HA 0.909 5.390 4.480 0.002 0.000 0.278 494 M C -1.156 175.207 176.300 0.105 0.000 1.281 494 M CA -0.656 54.743 55.300 0.164 0.000 0.814 494 M CB 2.023 34.785 32.600 0.271 0.000 1.719 494 M HN 1.164 nan 8.290 nan 0.000 0.457 495 S N 0.112 115.851 115.700 0.066 0.000 2.588 495 S HA 0.826 5.297 4.470 0.002 0.000 0.269 495 S C -1.059 173.528 174.600 -0.021 0.000 1.157 495 S CA -0.452 57.763 58.200 0.025 0.000 0.824 495 S CB 1.639 64.835 63.200 -0.005 0.000 1.126 495 S HN 1.610 nan 8.310 nan 0.000 0.464 496 V N -0.479 119.411 119.914 -0.041 0.000 2.588 496 V HA 0.737 4.858 4.120 0.002 0.000 0.304 496 V C -1.259 174.691 176.094 -0.239 0.000 1.042 496 V CA -0.865 61.370 62.300 -0.108 0.000 0.877 496 V CB 1.115 32.946 31.823 0.013 0.000 0.996 496 V HN 1.000 nan 8.190 nan 0.000 0.425 497 Y N 3.989 123.915 120.300 -0.624 0.000 2.350 497 Y HA 0.733 5.284 4.550 0.002 0.000 0.340 497 Y C 0.093 175.722 175.900 -0.451 0.000 1.006 497 Y CA -0.468 57.225 58.100 -0.679 0.000 1.166 497 Y CB 0.895 38.608 38.460 -1.245 0.000 1.168 497 Y HN 1.029 nan 8.280 nan 0.000 0.502 498 C N 2.927 122.005 119.300 -0.370 0.000 3.108 498 C HA 0.894 5.356 4.460 0.002 0.000 0.321 498 C C -0.541 174.370 174.990 -0.132 0.000 1.357 498 C CA -0.691 58.253 59.018 -0.123 0.000 1.562 498 C CB 1.428 29.186 27.740 0.029 0.000 2.003 498 C HN 0.908 nan 8.230 nan 0.000 0.460 499 S N -0.501 115.196 115.700 -0.005 0.000 2.638 499 S HA 0.727 5.198 4.470 0.002 0.000 0.274 499 S C -3.501 171.114 174.600 0.024 0.000 1.157 499 S CA -1.174 57.027 58.200 0.002 0.000 0.826 499 S CB 1.205 64.437 63.200 0.053 0.000 1.139 499 S HN 0.455 nan 8.310 nan 0.000 0.474 500 P HA 0.405 nan 4.420 nan 0.000 0.271 500 P C -0.746 176.564 177.300 0.016 0.000 1.216 500 P CA -0.030 63.080 63.100 0.017 0.000 0.776 500 P CB 0.381 32.085 31.700 0.006 0.000 0.881 501 A N 3.213 126.039 122.820 0.010 0.000 2.371 501 A HA 0.225 4.546 4.320 0.002 0.000 0.257 501 A C 0.609 178.192 177.584 -0.002 0.000 1.089 501 A CA -0.241 51.799 52.037 0.006 0.000 0.794 501 A CB -0.439 18.560 19.000 -0.001 0.000 1.029 501 A HN 0.673 nan 8.150 nan 0.000 0.488 502 K N -0.295 120.106 120.400 0.001 0.000 3.104 502 K HA -0.159 4.162 4.320 0.002 0.000 0.285 502 K C 0.349 176.948 176.600 -0.002 0.000 1.136 502 K CA 1.074 57.359 56.287 -0.002 0.000 0.842 502 K CB -1.608 30.886 32.500 -0.010 0.000 1.217 502 K HN 0.674 nan 8.250 nan 0.000 0.467 503 S N 0.437 116.139 115.700 0.002 0.000 2.513 503 S HA 0.266 4.738 4.470 0.002 0.000 0.276 503 S C 1.171 175.774 174.600 0.005 0.000 1.254 503 S CA -0.060 58.141 58.200 0.002 0.000 1.053 503 S CB 1.162 64.364 63.200 0.004 0.000 0.958 503 S HN 0.307 nan 8.310 nan 0.000 0.491 504 S N 4.648 120.349 115.700 0.002 0.000 2.528 504 S HA 0.173 4.645 4.470 0.002 0.000 0.219 504 S C 0.586 175.189 174.600 0.005 0.000 0.985 504 S CA -0.259 57.944 58.200 0.003 0.000 0.914 504 S CB -0.034 63.167 63.200 0.001 0.000 0.776 504 S HN 0.672 nan 8.310 nan 0.000 0.526 505 R N 2.006 122.509 120.500 0.005 0.000 3.701 505 R HA 0.485 4.826 4.340 0.002 0.000 0.210 505 R C 1.368 177.675 176.300 0.011 0.000 1.598 505 R CA 0.348 56.451 56.100 0.005 0.000 1.427 505 R CB -0.868 29.433 30.300 0.002 0.000 1.339 505 R HN 0.416 nan 8.270 nan 0.000 0.720 506 A N 1.970 124.799 122.820 0.015 0.000 1.940 506 A HA -0.241 4.080 4.320 0.002 0.000 0.221 506 A C 1.589 179.193 177.584 0.032 0.000 1.190 506 A CA 2.245 54.296 52.037 0.024 0.000 0.647 506 A CB -0.070 18.942 19.000 0.021 0.000 0.821 506 A HN 0.566 nan 8.150 nan 0.000 0.457 507 A N -0.963 121.872 122.820 0.024 0.000 2.833 507 A HA 0.542 4.864 4.320 0.002 0.000 0.293 507 A C -0.147 177.444 177.584 0.012 0.000 1.338 507 A CA -0.114 51.939 52.037 0.026 0.000 0.959 507 A CB -0.147 18.866 19.000 0.021 0.000 1.094 507 A HN 0.345 nan 8.150 nan 0.000 0.569 508 V N -0.916 119.001 119.914 0.006 0.000 2.577 508 V HA 0.655 4.776 4.120 0.002 0.000 0.303 508 V C 1.010 177.093 176.094 -0.018 0.000 1.042 508 V CA 0.220 62.516 62.300 -0.007 0.000 0.872 508 V CB 1.216 33.036 31.823 -0.005 0.000 0.998 508 V HN 1.116 nan 8.190 nan 0.000 0.423 509 G N 3.571 112.350 108.800 -0.035 0.000 2.136 509 G HA2 -0.219 3.742 3.960 0.002 0.000 0.242 509 G HA3 -0.219 3.742 3.960 0.002 0.000 0.242 509 G C 0.125 174.970 174.900 -0.092 0.000 0.989 509 G CA 0.007 45.078 45.100 -0.049 0.000 0.682 509 G HN 0.637 nan 8.290 nan 0.000 0.522 510 N N 0.952 119.579 118.700 -0.122 0.000 2.513 510 N HA 0.373 5.114 4.740 0.002 0.000 0.268 510 N C 0.150 175.415 175.510 -0.409 0.000 1.180 510 N CA 0.498 53.401 53.050 -0.245 0.000 0.948 510 N CB 0.842 39.217 38.487 -0.188 0.000 1.083 510 N HN 0.267 nan 8.380 nan 0.000 0.455 511 K N 1.678 121.711 120.400 -0.611 0.000 2.480 511 K HA 0.502 4.823 4.320 0.002 0.000 0.258 511 K C -0.528 175.449 176.600 -1.039 0.000 0.990 511 K CA -0.567 55.260 56.287 -0.766 0.000 0.857 511 K CB 2.112 34.104 32.500 -0.846 0.000 1.384 511 K HN 0.434 nan 8.250 nan 0.000 0.446 512 M N 1.688 120.745 119.600 -0.906 0.000 2.197 512 M HA 0.402 4.883 4.480 0.002 0.000 0.301 512 M C -1.388 174.536 176.300 -0.627 0.000 0.987 512 M CA -0.690 54.194 55.300 -0.693 0.000 0.921 512 M CB 1.065 33.439 32.600 -0.377 0.000 1.569 512 M HN 0.339 nan 8.290 nan 0.000 0.431 513 F N 3.072 122.947 119.950 -0.124 0.000 2.404 513 F HA 0.554 5.082 4.527 0.002 0.000 0.354 513 F C -0.077 175.692 175.800 -0.052 0.000 1.122 513 F CA -0.903 57.047 58.000 -0.083 0.000 1.080 513 F CB 0.985 39.936 39.000 -0.081 0.000 1.131 513 F HN 0.119 nan 8.300 nan 0.000 0.471 514 V N 3.707 123.696 119.914 0.125 0.000 2.547 514 V HA 0.539 4.660 4.120 0.002 0.000 0.299 514 V C -0.299 175.845 176.094 0.083 0.000 1.040 514 V CA -1.079 61.273 62.300 0.086 0.000 0.913 514 V CB 1.866 33.728 31.823 0.065 0.000 0.992 514 V HN 0.707 nan 8.190 nan 0.000 0.449 515 K N 2.147 122.602 120.400 0.091 0.000 2.464 515 K HA 0.818 5.139 4.320 0.002 0.000 0.253 515 K C -0.415 176.262 176.600 0.128 0.000 0.933 515 K CA -0.065 56.276 56.287 0.090 0.000 0.801 515 K CB 2.393 34.943 32.500 0.083 0.000 1.271 515 K HN 1.036 nan 8.250 nan 0.000 0.430 516 G N 0.811 109.688 108.800 0.129 0.000 2.313 516 G HA2 0.422 4.383 3.960 0.002 0.000 0.296 516 G HA3 0.422 4.383 3.960 0.002 0.000 0.296 516 G C -1.544 173.441 174.900 0.141 0.000 1.356 516 G CA -0.464 44.737 45.100 0.169 0.000 0.833 516 G HN 0.700 nan 8.290 nan 0.000 0.552 517 A N 0.438 123.351 122.820 0.154 0.000 2.540 517 A HA 0.551 4.872 4.320 0.002 0.000 0.239 517 A C -0.597 177.044 177.584 0.094 0.000 1.061 517 A CA 0.360 52.469 52.037 0.120 0.000 0.758 517 A CB -0.047 19.022 19.000 0.116 0.000 0.991 517 A HN 0.399 nan 8.150 nan 0.000 0.502 518 P HA -0.232 nan 4.420 nan 0.000 0.216 518 P C 1.427 178.759 177.300 0.053 0.000 1.157 518 P CA 1.804 64.951 63.100 0.078 0.000 0.880 518 P CB 0.199 31.941 31.700 0.069 0.000 0.791 519 E N -0.669 119.554 120.200 0.039 0.000 2.005 519 E HA -0.177 4.174 4.350 0.002 0.000 0.198 519 E C 2.276 178.887 176.600 0.018 0.000 1.010 519 E CA 1.803 58.214 56.400 0.018 0.000 0.825 519 E CB -1.181 28.529 29.700 0.015 0.000 0.769 519 E HN 0.116 nan 8.360 nan 0.000 0.456 520 G N 0.375 109.189 108.800 0.024 0.000 2.476 520 G HA2 -0.284 3.677 3.960 0.002 0.000 0.218 520 G HA3 -0.284 3.677 3.960 0.002 0.000 0.218 520 G C 1.687 176.606 174.900 0.031 0.000 1.164 520 G CA 1.279 46.390 45.100 0.019 0.000 0.768 520 G HN 0.272 nan 8.290 nan 0.000 0.560 521 V N 1.593 121.538 119.914 0.053 0.000 2.233 521 V HA -0.176 3.945 4.120 0.002 0.000 0.247 521 V C 2.816 178.961 176.094 0.085 0.000 1.050 521 V CA 1.424 63.771 62.300 0.077 0.000 1.010 521 V CB -0.437 31.449 31.823 0.105 0.000 0.637 521 V HN 0.273 nan 8.190 nan 0.000 0.444 522 I N 0.395 121.010 120.570 0.075 0.000 2.248 522 I HA -0.249 3.922 4.170 0.002 0.000 0.248 522 I C 2.236 178.353 176.117 -0.001 0.000 1.107 522 I CA 1.775 63.093 61.300 0.030 0.000 1.373 522 I CB -1.361 36.609 38.000 -0.049 0.000 1.055 522 I HN 0.370 nan 8.210 nan 0.000 0.418 523 D N 0.603 121.002 120.400 -0.001 0.000 2.219 523 D HA -0.117 4.524 4.640 0.002 0.000 0.205 523 D C 1.848 178.145 176.300 -0.005 0.000 0.970 523 D CA 0.834 54.826 54.000 -0.013 0.000 0.851 523 D CB -0.059 40.734 40.800 -0.011 0.000 0.943 523 D HN 0.386 nan 8.370 nan 0.000 0.488 524 R N -0.521 119.989 120.500 0.018 0.000 2.480 524 R HA 0.232 4.573 4.340 0.002 0.000 0.277 524 R C -0.284 176.037 176.300 0.036 0.000 1.008 524 R CA -0.148 55.966 56.100 0.023 0.000 1.090 524 R CB 0.184 30.505 30.300 0.035 0.000 1.234 524 R HN 0.036 nan 8.270 nan 0.000 0.549 525 C N 1.412 120.732 119.300 0.032 0.000 2.264 525 C HA 0.311 4.772 4.460 0.002 0.000 0.324 525 C C 1.128 176.095 174.990 -0.039 0.000 1.267 525 C CA -0.864 58.185 59.018 0.053 0.000 1.618 525 C CB 0.635 28.450 27.740 0.124 0.000 2.278 525 C HN 0.486 nan 8.230 nan 0.000 0.499 526 N N 0.959 119.581 118.700 -0.130 0.000 2.299 526 N HA 0.115 4.856 4.740 0.002 0.000 0.187 526 N C -0.654 174.479 175.510 -0.628 0.000 1.099 526 N CA 0.563 53.365 53.050 -0.414 0.000 0.867 526 N CB 0.424 38.554 38.487 -0.595 0.000 0.974 526 N HN 0.683 nan 8.380 nan 0.000 0.477 527 Y N -0.935 119.399 120.300 0.055 0.000 2.605 527 Y HA 0.562 5.113 4.550 0.002 0.000 0.343 527 Y C -0.106 175.863 175.900 0.114 0.000 1.036 527 Y CA -0.976 57.164 58.100 0.066 0.000 1.065 527 Y CB 1.597 40.091 38.460 0.056 0.000 1.288 527 Y HN -0.423 nan 8.280 nan 0.000 0.481 528 V N 1.738 121.830 119.914 0.297 0.000 2.656 528 V HA 0.509 4.631 4.120 0.002 0.000 0.307 528 V C -0.735 175.494 176.094 0.225 0.000 1.051 528 V CA -1.060 61.410 62.300 0.284 0.000 0.893 528 V CB 2.045 34.004 31.823 0.227 0.000 0.999 528 V HN 0.676 nan 8.190 nan 0.000 0.426 529 R N 3.240 123.860 120.500 0.199 0.000 2.297 529 R HA 0.660 5.002 4.340 0.002 0.000 0.308 529 R C -1.386 174.993 176.300 0.131 0.000 1.029 529 R CA -0.165 56.009 56.100 0.124 0.000 0.929 529 R CB 1.350 31.690 30.300 0.065 0.000 1.046 529 R HN 0.496 nan 8.270 nan 0.000 0.461 530 V N 6.291 126.271 119.914 0.110 0.000 2.325 530 V HA 0.458 4.579 4.120 0.002 0.000 0.280 530 V C 0.950 177.101 176.094 0.095 0.000 1.016 530 V CA 0.290 62.658 62.300 0.114 0.000 0.818 530 V CB 0.493 32.379 31.823 0.105 0.000 1.019 530 V HN 1.149 nan 8.190 nan 0.000 0.434 531 G N 5.319 114.183 108.800 0.107 0.000 2.574 531 G HA2 -0.355 3.606 3.960 0.002 0.000 0.301 531 G HA3 -0.355 3.606 3.960 0.002 0.000 0.301 531 G C 0.953 175.891 174.900 0.063 0.000 1.166 531 G CA 1.044 46.199 45.100 0.090 0.000 0.971 531 G HN 1.234 nan 8.290 nan 0.000 0.542 532 T N -1.058 113.525 114.554 0.047 0.000 3.023 532 T HA 0.461 4.812 4.350 0.002 0.000 0.253 532 T C 1.281 175.997 174.700 0.027 0.000 1.038 532 T CA 1.529 63.650 62.100 0.034 0.000 0.962 532 T CB -0.062 68.822 68.868 0.027 0.000 1.018 532 T HN 1.680 nan 8.240 nan 0.000 0.521 533 T N 0.367 114.942 114.554 0.034 0.000 2.824 533 T HA 0.535 4.886 4.350 0.002 0.000 0.277 533 T C -0.227 174.494 174.700 0.035 0.000 0.975 533 T CA -1.016 61.099 62.100 0.026 0.000 0.966 533 T CB 1.644 70.531 68.868 0.033 0.000 1.054 533 T HN 0.465 nan 8.240 nan 0.000 0.533 534 R N 0.301 120.814 120.500 0.022 0.000 2.621 534 R HA 0.632 4.973 4.340 0.002 0.000 0.284 534 R C -1.444 174.904 176.300 0.080 0.000 0.998 534 R CA -0.831 55.293 56.100 0.040 0.000 0.895 534 R CB 2.041 32.309 30.300 -0.053 0.000 1.195 534 R HN 0.796 nan 8.270 nan 0.000 0.450 535 V N 0.580 120.583 119.914 0.148 0.000 3.001 535 V HA 0.706 4.828 4.120 0.002 0.000 0.314 535 V C -2.818 173.424 176.094 0.247 0.000 1.099 535 V CA -2.811 59.589 62.300 0.167 0.000 0.989 535 V CB 1.896 33.787 31.823 0.114 0.000 1.040 535 V HN 0.651 nan 8.190 nan 0.000 0.434 536 P HA 0.259 nan 4.420 nan 0.000 0.269 536 P C -0.435 176.882 177.300 0.029 0.000 1.209 536 P CA -0.179 62.986 63.100 0.109 0.000 0.776 536 P CB 0.302 32.030 31.700 0.047 0.000 0.876 537 M N 3.283 122.853 119.600 -0.051 0.000 2.228 537 M HA 0.297 4.778 4.480 0.002 0.000 0.351 537 M C -0.195 176.056 176.300 -0.082 0.000 1.233 537 M CA 0.800 56.065 55.300 -0.059 0.000 1.129 537 M CB -0.053 32.494 32.600 -0.088 0.000 1.604 537 M HN 0.448 nan 8.290 nan 0.000 0.457 538 T N 1.423 115.920 114.554 -0.095 0.000 2.916 538 T HA 0.689 5.040 4.350 0.002 0.000 0.292 538 T C 0.857 175.463 174.700 -0.156 0.000 1.055 538 T CA -0.527 61.505 62.100 -0.113 0.000 1.009 538 T CB 1.298 70.101 68.868 -0.108 0.000 1.118 538 T HN 0.728 nan 8.240 nan 0.000 0.497 539 G N 1.120 109.829 108.800 -0.152 0.000 2.491 539 G HA2 -0.072 3.889 3.960 0.002 0.000 0.218 539 G HA3 -0.072 3.889 3.960 0.002 0.000 0.218 539 G C -0.962 173.793 174.900 -0.242 0.000 1.180 539 G CA 0.955 45.956 45.100 -0.165 0.000 0.774 539 G HN 0.654 nan 8.290 nan 0.000 0.562 540 P HA -0.059 nan 4.420 nan 0.000 0.215 540 P C 2.173 179.190 177.300 -0.471 0.000 1.153 540 P CA 1.031 63.760 63.100 -0.618 0.000 0.853 540 P CB -0.121 30.770 31.700 -1.348 0.000 0.788 541 V N 0.407 120.103 119.914 -0.364 0.000 2.295 541 V HA -0.253 3.868 4.120 0.002 0.000 0.246 541 V C 2.483 178.437 176.094 -0.233 0.000 1.049 541 V CA 1.875 64.029 62.300 -0.244 0.000 1.024 541 V CB -1.077 30.652 31.823 -0.157 0.000 0.648 541 V HN 0.159 nan 8.190 nan 0.000 0.447 542 K N 0.016 120.282 120.400 -0.224 0.000 2.147 542 K HA -0.253 4.068 4.320 0.002 0.000 0.205 542 K C 2.153 178.633 176.600 -0.201 0.000 1.049 542 K CA 1.937 58.091 56.287 -0.221 0.000 0.936 542 K CB -0.060 32.335 32.500 -0.175 0.000 0.722 542 K HN 0.561 nan 8.250 nan 0.000 0.446 543 E N 0.225 120.308 120.200 -0.195 0.000 2.072 543 E HA -0.155 4.196 4.350 0.002 0.000 0.190 543 E C 1.944 178.446 176.600 -0.163 0.000 0.982 543 E CA 0.816 57.118 56.400 -0.163 0.000 0.803 543 E CB 0.189 29.793 29.700 -0.160 0.000 0.755 543 E HN 0.048 nan 8.360 nan 0.000 0.453 544 K N 0.822 121.107 120.400 -0.190 0.000 2.002 544 K HA -0.125 4.196 4.320 0.002 0.000 0.209 544 K C 2.072 178.537 176.600 -0.225 0.000 1.048 544 K CA 1.116 57.289 56.287 -0.189 0.000 0.930 544 K CB -0.480 31.910 32.500 -0.183 0.000 0.714 544 K HN 0.214 nan 8.250 nan 0.000 0.438 545 I N 1.107 121.544 120.570 -0.222 0.000 2.091 545 I HA -0.344 3.828 4.170 0.002 0.000 0.239 545 I C 2.357 178.409 176.117 -0.108 0.000 1.061 545 I CA 1.256 62.457 61.300 -0.166 0.000 1.317 545 I CB -0.303 37.517 38.000 -0.301 0.000 1.031 545 I HN 0.103 nan 8.210 nan 0.000 0.401 546 L N 0.425 121.567 121.223 -0.135 0.000 2.187 546 L HA -0.215 4.126 4.340 0.002 0.000 0.213 546 L C 2.786 179.600 176.870 -0.093 0.000 1.100 546 L CA 1.635 56.419 54.840 -0.094 0.000 0.765 546 L CB -0.615 41.388 42.059 -0.093 0.000 0.904 546 L HN 0.432 nan 8.230 nan 0.000 0.437 547 S N -1.030 114.595 115.700 -0.125 0.000 2.371 547 S HA -0.106 4.365 4.470 0.002 0.000 0.224 547 S C 1.871 176.377 174.600 -0.157 0.000 1.029 547 S CA 0.906 59.036 58.200 -0.117 0.000 0.978 547 S CB -0.542 62.590 63.200 -0.114 0.000 0.833 547 S HN 0.152 nan 8.310 nan 0.000 0.466 548 V N 1.905 121.661 119.914 -0.263 0.000 2.515 548 V HA -0.016 4.106 4.120 0.002 0.000 0.250 548 V C 2.349 178.168 176.094 -0.459 0.000 1.058 548 V CA 1.493 63.525 62.300 -0.447 0.000 1.064 548 V CB -0.701 30.669 31.823 -0.755 0.000 0.675 548 V HN 0.514 nan 8.190 nan 0.000 0.461 549 I N -0.321 120.127 120.570 -0.204 0.000 2.546 549 I HA -0.195 3.976 4.170 0.002 0.000 0.255 549 I C 2.482 178.615 176.117 0.027 0.000 1.163 549 I CA 1.350 62.619 61.300 -0.051 0.000 1.457 549 I CB -0.269 37.745 38.000 0.025 0.000 1.092 549 I HN 0.267 nan 8.210 nan 0.000 0.434 550 K N 1.176 121.568 120.400 -0.013 0.000 2.007 550 K HA -0.216 4.105 4.320 0.002 0.000 0.206 550 K C 2.131 178.769 176.600 0.063 0.000 1.047 550 K CA 1.354 57.655 56.287 0.023 0.000 0.937 550 K CB -0.099 32.397 32.500 -0.007 0.000 0.718 550 K HN 0.179 nan 8.250 nan 0.000 0.438 551 E N -0.250 119.971 120.200 0.036 0.000 2.086 551 E HA -0.237 4.114 4.350 0.002 0.000 0.200 551 E C 1.688 178.450 176.600 0.271 0.000 1.012 551 E CA 1.702 58.167 56.400 0.107 0.000 0.812 551 E CB -0.124 29.617 29.700 0.067 0.000 0.743 551 E HN 0.416 nan 8.360 nan 0.000 0.453 552 W N -0.020 121.311 121.300 0.052 0.000 2.381 552 W HA 0.054 4.715 4.660 0.002 0.000 0.301 552 W C 2.334 178.879 176.519 0.043 0.000 1.205 552 W CA 1.218 58.597 57.345 0.057 0.000 1.285 552 W CB -1.094 28.422 29.460 0.092 0.000 1.133 552 W HN 0.192 nan 8.180 nan 0.000 0.521 553 G N -1.780 107.187 108.800 0.279 0.000 3.088 553 G HA2 0.068 4.029 3.960 0.002 0.000 0.212 553 G HA3 0.068 4.029 3.960 0.002 0.000 0.212 553 G C 1.137 176.103 174.900 0.109 0.000 1.173 553 G CA 1.076 46.275 45.100 0.166 0.000 0.779 553 G HN 0.189 nan 8.290 nan 0.000 0.540 554 T N -0.690 113.932 114.554 0.113 0.000 3.115 554 T HA 0.281 4.632 4.350 0.002 0.000 0.256 554 T C 1.730 176.470 174.700 0.066 0.000 0.970 554 T CA 0.344 62.488 62.100 0.073 0.000 1.010 554 T CB 0.195 69.099 68.868 0.059 0.000 1.151 554 T HN 0.307 nan 8.240 nan 0.000 0.479 555 G N 1.746 110.600 108.800 0.091 0.000 2.680 555 G HA2 0.047 4.008 3.960 0.002 0.000 0.274 555 G HA3 0.047 4.008 3.960 0.002 0.000 0.274 555 G C 0.939 175.866 174.900 0.045 0.000 1.292 555 G CA -0.122 45.020 45.100 0.071 0.000 1.007 555 G HN 0.575 nan 8.290 nan 0.000 0.578 556 R N -1.005 119.513 120.500 0.030 0.000 2.261 556 R HA -0.068 4.274 4.340 0.002 0.000 0.236 556 R C 0.760 177.063 176.300 0.006 0.000 1.141 556 R CA 1.860 57.970 56.100 0.016 0.000 1.001 556 R CB -0.100 30.206 30.300 0.010 0.000 0.866 556 R HN 0.463 nan 8.270 nan 0.000 0.468 557 D N 0.579 120.980 120.400 0.002 0.000 2.327 557 D HA -0.011 4.630 4.640 0.002 0.000 0.205 557 D C 0.052 176.351 176.300 -0.002 0.000 0.989 557 D CA 0.735 54.723 54.000 -0.020 0.000 0.873 557 D CB 0.221 40.983 40.800 -0.065 0.000 0.955 557 D HN 0.124 nan 8.370 nan 0.000 0.515 558 T N 1.847 116.419 114.554 0.031 0.000 3.558 558 T HA -0.213 4.138 4.350 0.002 0.000 0.391 558 T C 0.625 175.350 174.700 0.043 0.000 0.766 558 T CA 0.171 62.299 62.100 0.046 0.000 1.951 558 T CB -1.784 67.103 68.868 0.031 0.000 1.743 558 T HN 0.232 nan 8.240 nan 0.000 0.688 559 L N 0.323 121.577 121.223 0.051 0.000 2.483 559 L HA 0.221 4.562 4.340 0.002 0.000 0.276 559 L C 1.196 178.116 176.870 0.084 0.000 1.213 559 L CA -0.153 54.711 54.840 0.040 0.000 0.843 559 L CB 0.308 42.374 42.059 0.012 0.000 1.107 559 L HN 0.323 nan 8.230 nan 0.000 0.487 560 R N 2.218 122.755 120.500 0.061 0.000 2.234 560 R HA 0.342 4.683 4.340 0.002 0.000 0.324 560 R C -1.230 175.130 176.300 0.100 0.000 1.054 560 R CA -0.491 55.652 56.100 0.072 0.000 0.912 560 R CB 0.609 30.937 30.300 0.046 0.000 1.030 560 R HN 0.653 nan 8.270 nan 0.000 0.455 561 C N 5.248 124.624 119.300 0.125 0.000 2.358 561 C HA 0.573 5.034 4.460 0.002 0.000 0.342 561 C C -0.897 174.157 174.990 0.106 0.000 1.234 561 C CA -0.838 58.268 59.018 0.146 0.000 1.969 561 C CB 0.790 28.643 27.740 0.189 0.000 2.346 561 C HN 0.635 nan 8.230 nan 0.000 0.525 562 L N 2.692 123.969 121.223 0.089 0.000 2.410 562 L HA 0.690 5.031 4.340 0.002 0.000 0.270 562 L C 0.307 177.206 176.870 0.049 0.000 0.983 562 L CA -0.222 54.660 54.840 0.071 0.000 0.822 562 L CB 1.404 43.496 42.059 0.055 0.000 1.285 562 L HN 0.859 nan 8.230 nan 0.000 0.409 563 A N 4.645 127.508 122.820 0.072 0.000 2.310 563 A HA 0.844 5.165 4.320 0.002 0.000 0.299 563 A C -0.873 176.727 177.584 0.026 0.000 1.147 563 A CA -0.354 51.733 52.037 0.084 0.000 0.818 563 A CB 0.404 19.515 19.000 0.184 0.000 1.096 563 A HN 0.635 nan 8.150 nan 0.000 0.495 564 L N 1.667 122.844 121.223 -0.076 0.000 2.356 564 L HA 0.750 5.091 4.340 0.002 0.000 0.277 564 L C 0.269 177.059 176.870 -0.132 0.000 0.996 564 L CA -0.247 54.540 54.840 -0.088 0.000 0.822 564 L CB 1.834 43.813 42.059 -0.133 0.000 1.256 564 L HN 0.841 nan 8.230 nan 0.000 0.413 565 A N 1.841 124.651 122.820 -0.017 0.000 2.532 565 A HA 0.956 5.278 4.320 0.002 0.000 0.290 565 A C -0.827 176.798 177.584 0.068 0.000 1.143 565 A CA -0.549 51.494 52.037 0.010 0.000 0.728 565 A CB 2.130 21.178 19.000 0.080 0.000 1.317 565 A HN 0.503 nan 8.150 nan 0.000 0.414 566 T N 1.112 115.705 114.554 0.065 0.000 2.881 566 T HA 0.421 4.772 4.350 0.002 0.000 0.290 566 T C -0.471 174.220 174.700 -0.015 0.000 1.000 566 T CA -0.502 61.625 62.100 0.045 0.000 0.978 566 T CB 1.125 70.053 68.868 0.100 0.000 0.997 566 T HN 0.540 nan 8.240 nan 0.000 0.443 567 R N 2.521 122.961 120.500 -0.100 0.000 2.220 567 R HA 0.135 4.476 4.340 0.002 0.000 0.340 567 R C -0.006 176.211 176.300 -0.138 0.000 1.076 567 R CA -0.340 55.715 56.100 -0.076 0.000 0.920 567 R CB 0.400 30.652 30.300 -0.080 0.000 1.062 567 R HN 0.635 nan 8.270 nan 0.000 0.469 568 D N 1.400 121.751 120.400 -0.082 0.000 2.144 568 D HA -0.082 4.559 4.640 0.002 0.000 0.199 568 D C -0.033 176.191 176.300 -0.126 0.000 0.984 568 D CA 1.616 55.549 54.000 -0.111 0.000 0.834 568 D CB 0.421 41.157 40.800 -0.106 0.000 0.955 568 D HN 0.391 nan 8.370 nan 0.000 0.465 569 T N 3.143 117.642 114.554 -0.091 0.000 3.155 569 T HA 0.269 4.621 4.350 0.002 0.000 0.384 569 T C -2.462 172.198 174.700 -0.066 0.000 1.351 569 T CA -1.262 60.791 62.100 -0.077 0.000 1.198 569 T CB 2.337 71.182 68.868 -0.039 0.000 1.106 569 T HN 0.009 nan 8.240 nan 0.000 0.564 570 P HA 0.337 nan 4.420 nan 0.000 0.277 570 P C -2.429 174.886 177.300 0.026 0.000 1.240 570 P CA -1.396 61.651 63.100 -0.088 0.000 0.798 570 P CB 0.269 31.784 31.700 -0.308 0.000 0.979 571 P HA 0.107 nan 4.420 nan 0.000 0.274 571 P C -0.316 177.042 177.300 0.096 0.000 1.260 571 P CA -0.098 63.026 63.100 0.039 0.000 0.793 571 P CB 0.424 32.093 31.700 -0.052 0.000 1.048 572 K N 0.969 121.381 120.400 0.020 0.000 2.298 572 K HA 0.101 4.422 4.320 0.002 0.000 0.280 572 K C 1.424 177.965 176.600 -0.098 0.000 1.032 572 K CA -0.093 56.197 56.287 0.006 0.000 0.958 572 K CB 0.677 33.169 32.500 -0.014 0.000 0.978 572 K HN 0.486 nan 8.250 nan 0.000 0.472 573 R N 1.962 122.357 120.500 -0.174 0.000 2.105 573 R HA -0.203 4.138 4.340 0.002 0.000 0.239 573 R C 0.742 176.903 176.300 -0.232 0.000 1.135 573 R CA 1.819 57.738 56.100 -0.303 0.000 0.967 573 R CB 0.189 30.285 30.300 -0.340 0.000 0.861 573 R HN 0.515 nan 8.270 nan 0.000 0.442 574 E N 0.577 120.689 120.200 -0.148 0.000 2.267 574 E HA -0.173 4.178 4.350 0.002 0.000 0.197 574 E C 0.685 177.227 176.600 -0.097 0.000 0.998 574 E CA 1.387 57.721 56.400 -0.110 0.000 0.830 574 E CB 0.036 29.695 29.700 -0.068 0.000 0.751 574 E HN 0.561 nan 8.360 nan 0.000 0.491 575 E N -0.446 119.688 120.200 -0.110 0.000 2.437 575 E HA 0.208 4.559 4.350 0.002 0.000 0.195 575 E C -0.274 176.240 176.600 -0.143 0.000 1.029 575 E CA -0.145 56.203 56.400 -0.086 0.000 0.948 575 E CB 0.236 29.901 29.700 -0.058 0.000 1.082 575 E HN 0.187 nan 8.360 nan 0.000 0.456 576 M N 1.465 120.940 119.600 -0.208 0.000 2.243 576 M HA 0.266 4.747 4.480 0.002 0.000 0.324 576 M C -0.626 175.693 176.300 0.033 0.000 1.031 576 M CA -0.831 54.301 55.300 -0.279 0.000 0.949 576 M CB 2.534 34.837 32.600 -0.496 0.000 1.615 576 M HN -0.199 nan 8.290 nan 0.000 0.430 577 V N 5.471 125.603 119.914 0.363 0.000 2.405 577 V HA 0.078 4.199 4.120 0.002 0.000 0.264 577 V C 0.886 177.209 176.094 0.381 0.000 1.048 577 V CA 0.158 62.630 62.300 0.285 0.000 0.966 577 V CB 0.313 32.286 31.823 0.250 0.000 1.015 577 V HN 0.831 nan 8.190 nan 0.000 0.477 578 L N 3.653 124.992 121.223 0.192 0.000 2.607 578 L HA 0.172 4.513 4.340 0.002 0.000 0.228 578 L C 0.908 177.927 176.870 0.247 0.000 1.123 578 L CA 0.260 55.238 54.840 0.230 0.000 0.890 578 L CB -0.100 41.936 42.059 -0.039 0.000 1.103 578 L HN 0.786 nan 8.230 nan 0.000 0.468 579 D N -3.160 117.323 120.400 0.138 0.000 2.479 579 D HA 0.052 4.693 4.640 0.002 0.000 0.218 579 D C 0.074 176.351 176.300 -0.039 0.000 1.177 579 D CA -0.151 53.883 54.000 0.055 0.000 0.830 579 D CB 0.309 41.124 40.800 0.026 0.000 1.014 579 D HN -0.105 nan 8.370 nan 0.000 0.503 580 D N 0.473 120.799 120.400 -0.123 0.000 2.405 580 D HA 0.058 4.699 4.640 0.002 0.000 0.264 580 D C 1.190 177.088 176.300 -0.670 0.000 1.240 580 D CA -0.228 53.609 54.000 -0.271 0.000 0.893 580 D CB 0.874 41.584 40.800 -0.150 0.000 1.198 580 D HN -0.051 nan 8.370 nan 0.000 0.514 581 S N 0.759 115.909 115.700 -0.916 0.000 2.428 581 S HA -0.298 4.174 4.470 0.002 0.000 0.240 581 S C 1.818 175.940 174.600 -0.797 0.000 1.036 581 S CA 1.650 59.026 58.200 -1.373 0.000 1.009 581 S CB -0.540 62.292 63.200 -0.613 0.000 0.803 581 S HN 0.381 nan 8.310 nan 0.000 0.486 582 S N 1.079 116.505 115.700 -0.457 0.000 2.547 582 S HA 0.105 4.576 4.470 0.002 0.000 0.235 582 S C 1.656 176.100 174.600 -0.260 0.000 0.980 582 S CA 0.057 58.091 58.200 -0.276 0.000 0.941 582 S CB -0.313 62.775 63.200 -0.186 0.000 0.763 582 S HN 0.458 nan 8.310 nan 0.000 0.532 583 R N -0.032 120.257 120.500 -0.351 0.000 2.290 583 R HA 0.351 4.692 4.340 0.002 0.000 0.197 583 R C 1.425 177.493 176.300 -0.387 0.000 0.913 583 R CA 0.088 55.984 56.100 -0.341 0.000 1.040 583 R CB -0.560 29.554 30.300 -0.309 0.000 0.992 583 R HN 0.585 nan 8.270 nan 0.000 0.500 584 F N 0.748 120.486 119.950 -0.354 0.000 2.216 584 F HA -0.168 4.360 4.527 0.002 0.000 0.300 584 F C 2.570 178.279 175.800 -0.152 0.000 1.085 584 F CA 0.470 58.334 58.000 -0.226 0.000 1.326 584 F CB -0.219 38.751 39.000 -0.050 0.000 1.027 584 F HN 0.002 nan 8.300 nan 0.000 0.497 585 M N 0.465 120.090 119.600 0.041 0.000 2.080 585 M HA -0.238 4.243 4.480 0.002 0.000 0.260 585 M C 2.252 178.563 176.300 0.017 0.000 1.068 585 M CA 1.777 57.087 55.300 0.016 0.000 1.109 585 M CB -0.214 32.372 32.600 -0.024 0.000 1.342 585 M HN -0.031 nan 8.290 nan 0.000 0.405 586 E N -0.068 120.106 120.200 -0.044 0.000 2.085 586 E HA -0.196 4.155 4.350 0.002 0.000 0.194 586 E C 1.788 178.484 176.600 0.160 0.000 0.994 586 E CA 1.476 57.883 56.400 0.011 0.000 0.801 586 E CB -0.467 29.207 29.700 -0.043 0.000 0.743 586 E HN 0.628 nan 8.360 nan 0.000 0.453 587 Y N 0.831 121.195 120.300 0.107 0.000 2.403 587 Y HA -0.054 4.497 4.550 0.002 0.000 0.291 587 Y C 1.016 176.951 175.900 0.059 0.000 1.143 587 Y CA 0.604 58.759 58.100 0.091 0.000 1.257 587 Y CB -0.250 38.273 38.460 0.105 0.000 0.984 587 Y HN 0.070 nan 8.280 nan 0.000 0.550 588 E N 0.040 120.357 120.200 0.196 0.000 2.464 588 E HA 0.171 4.522 4.350 0.002 0.000 0.260 588 E C -0.001 176.652 176.600 0.088 0.000 1.318 588 E CA -0.104 56.364 56.400 0.114 0.000 1.571 588 E CB 0.369 30.123 29.700 0.089 0.000 1.525 588 E HN -0.008 nan 8.360 nan 0.000 0.449 589 T N -0.307 114.305 114.554 0.096 0.000 2.907 589 T HA 0.199 4.550 4.350 0.002 0.000 0.290 589 T C -0.619 174.129 174.700 0.079 0.000 1.066 589 T CA -0.397 61.748 62.100 0.076 0.000 1.012 589 T CB 1.188 70.099 68.868 0.071 0.000 1.184 589 T HN 0.242 nan 8.240 nan 0.000 0.522 590 D N 0.736 121.177 120.400 0.069 0.000 2.716 590 D HA -0.129 4.512 4.640 0.002 0.000 0.239 590 D C -0.425 175.963 176.300 0.146 0.000 1.125 590 D CA 0.671 54.729 54.000 0.097 0.000 0.681 590 D CB -1.573 39.297 40.800 0.116 0.000 1.070 590 D HN 0.479 nan 8.370 nan 0.000 0.432 591 L N -0.592 120.704 121.223 0.121 0.000 2.439 591 L HA 0.532 4.873 4.340 0.002 0.000 0.259 591 L C 1.094 178.092 176.870 0.213 0.000 1.129 591 L CA -0.481 54.443 54.840 0.139 0.000 0.803 591 L CB 1.271 43.394 42.059 0.107 0.000 1.161 591 L HN -0.052 nan 8.230 nan 0.000 0.462 592 T N 1.072 115.741 114.554 0.191 0.000 2.791 592 T HA 0.300 4.651 4.350 0.002 0.000 0.288 592 T C -0.558 174.255 174.700 0.188 0.000 0.999 592 T CA -0.306 61.930 62.100 0.227 0.000 0.952 592 T CB 0.590 69.550 68.868 0.152 0.000 0.938 592 T HN 0.261 nan 8.240 nan 0.000 0.444 593 F N 4.327 124.333 119.950 0.093 0.000 2.543 593 F HA 0.294 4.822 4.527 0.002 0.000 0.375 593 F C 0.728 176.567 175.800 0.065 0.000 1.075 593 F CA 0.172 58.211 58.000 0.064 0.000 1.225 593 F CB 0.536 39.570 39.000 0.056 0.000 1.099 593 F HN 0.346 nan 8.300 nan 0.000 0.561 594 V N 4.788 124.211 119.914 -0.817 0.000 2.854 594 V HA 0.480 4.601 4.120 0.002 0.000 0.236 594 V C 1.028 176.586 176.094 -0.894 0.000 1.157 594 V CA 0.758 62.697 62.300 -0.601 0.000 1.187 594 V CB 0.077 31.724 31.823 -0.294 0.000 0.949 594 V HN 1.010 nan 8.190 nan 0.000 0.488 595 G N -0.882 107.239 108.800 -1.130 0.000 2.490 595 G HA2 0.544 4.505 3.960 0.002 0.000 0.308 595 G HA3 0.544 4.505 3.960 0.002 0.000 0.308 595 G C -2.215 172.352 174.900 -0.555 0.000 1.286 595 G CA -0.147 44.492 45.100 -0.768 0.000 0.825 595 G HN 0.012 nan 8.290 nan 0.000 0.479 596 V N 0.164 119.761 119.914 -0.528 0.000 2.733 596 V HA 0.658 4.779 4.120 0.002 0.000 0.306 596 V C -0.121 175.894 176.094 -0.131 0.000 1.084 596 V CA -0.627 61.460 62.300 -0.355 0.000 0.905 596 V CB 1.627 33.090 31.823 -0.601 0.000 1.010 596 V HN 1.308 nan 8.190 nan 0.000 0.424 597 V N 1.197 121.111 119.914 0.000 0.000 2.667 597 V HA 1.060 5.181 4.120 0.002 0.000 0.308 597 V C 0.264 176.445 176.094 0.146 0.000 1.048 597 V CA -0.412 61.930 62.300 0.071 0.000 0.928 597 V CB 1.732 33.557 31.823 0.004 0.000 1.004 597 V HN 1.040 nan 8.190 nan 0.000 0.444 598 G N 4.961 113.831 108.800 0.117 0.000 2.626 598 G HA2 0.683 4.644 3.960 0.002 0.000 0.304 598 G HA3 0.683 4.644 3.960 0.002 0.000 0.304 598 G C -0.763 174.120 174.900 -0.029 0.000 1.385 598 G CA -0.844 44.308 45.100 0.086 0.000 0.957 598 G HN 1.174 nan 8.290 nan 0.000 0.504 599 M N 2.190 121.790 119.600 -0.000 0.000 2.716 599 M HA 0.912 5.393 4.480 0.002 0.000 0.307 599 M C -0.939 175.347 176.300 -0.022 0.000 1.223 599 M CA -1.051 54.236 55.300 -0.022 0.000 0.871 599 M CB 2.632 35.232 32.600 0.001 0.000 1.739 599 M HN 0.512 nan 8.290 nan 0.000 0.475 600 L N -1.039 120.162 121.223 -0.036 0.000 2.720 600 L HA 0.672 5.013 4.340 0.002 0.000 0.261 600 L C -1.908 174.933 176.870 -0.047 0.000 1.046 600 L CA -0.915 53.903 54.840 -0.036 0.000 0.886 600 L CB 2.081 44.111 42.059 -0.049 0.000 1.493 600 L HN 0.801 nan 8.230 nan 0.000 0.407 601 D N 3.299 123.672 120.400 -0.046 0.000 2.468 601 D HA 0.409 5.050 4.640 0.002 0.000 0.218 601 D C -2.340 173.919 176.300 -0.067 0.000 1.155 601 D CA -1.752 52.212 54.000 -0.061 0.000 0.924 601 D CB 0.913 41.686 40.800 -0.045 0.000 1.029 601 D HN 0.437 nan 8.370 nan 0.000 0.515 602 P HA 0.239 nan 4.420 nan 0.000 0.274 602 P C -2.649 174.608 177.300 -0.072 0.000 1.237 602 P CA -1.362 61.693 63.100 -0.075 0.000 0.793 602 P CB 0.458 32.111 31.700 -0.079 0.000 0.977 603 P HA 0.114 nan 4.420 nan 0.000 0.271 603 P C 0.344 177.616 177.300 -0.046 0.000 1.218 603 P CA 0.031 63.092 63.100 -0.064 0.000 0.780 603 P CB 0.645 32.304 31.700 -0.068 0.000 0.901 604 R N 1.617 122.099 120.500 -0.030 0.000 2.893 604 R HA 0.115 4.457 4.340 0.002 0.000 0.279 604 R C 0.637 176.939 176.300 0.002 0.000 1.076 604 R CA -0.206 55.889 56.100 -0.009 0.000 1.203 604 R CB 0.032 30.342 30.300 0.017 0.000 1.137 604 R HN 0.477 nan 8.270 nan 0.000 0.541 605 K N 1.871 122.276 120.400 0.008 0.000 2.451 605 K HA -0.076 4.245 4.320 0.002 0.000 0.280 605 K C 0.361 176.977 176.600 0.028 0.000 1.020 605 K CA 0.709 57.002 56.287 0.012 0.000 1.008 605 K CB 0.227 32.733 32.500 0.011 0.000 0.917 605 K HN 0.492 nan 8.250 nan 0.000 0.478 606 E N -0.215 119.999 120.200 0.024 0.000 3.799 606 E HA -0.295 4.056 4.350 0.002 0.000 0.320 606 E C 0.989 177.629 176.600 0.067 0.000 0.760 606 E CA 0.697 57.118 56.400 0.035 0.000 1.153 606 E CB -1.505 28.213 29.700 0.030 0.000 1.589 606 E HN 0.434 nan 8.360 nan 0.000 0.448 607 V N 0.704 120.662 119.914 0.073 0.000 2.255 607 V HA -0.302 3.819 4.120 0.002 0.000 0.247 607 V C 2.463 178.590 176.094 0.054 0.000 1.051 607 V CA 2.629 64.996 62.300 0.111 0.000 1.018 607 V CB -0.412 31.430 31.823 0.031 0.000 0.641 607 V HN 0.329 nan 8.190 nan 0.000 0.445 608 M N -0.062 119.539 119.600 0.002 0.000 2.149 608 M HA -0.116 4.366 4.480 0.002 0.000 0.261 608 M C 2.203 178.510 176.300 0.011 0.000 1.064 608 M CA 2.060 57.351 55.300 -0.016 0.000 1.102 608 M CB -0.853 31.731 32.600 -0.027 0.000 1.369 608 M HN 0.519 nan 8.290 nan 0.000 0.408 609 G N -0.695 108.121 108.800 0.027 0.000 2.394 609 G HA2 -0.131 3.830 3.960 0.002 0.000 0.215 609 G HA3 -0.131 3.830 3.960 0.002 0.000 0.215 609 G C 1.564 176.495 174.900 0.052 0.000 1.165 609 G CA 0.752 45.870 45.100 0.029 0.000 0.784 609 G HN 0.416 nan 8.290 nan 0.000 0.535 610 S N 0.495 116.249 115.700 0.090 0.000 2.400 610 S HA -0.034 4.437 4.470 0.002 0.000 0.232 610 S C 2.195 176.909 174.600 0.190 0.000 1.025 610 S CA 0.665 58.944 58.200 0.132 0.000 0.993 610 S CB -0.171 63.147 63.200 0.196 0.000 0.808 610 S HN 0.368 nan 8.310 nan 0.000 0.478 611 I N 0.846 121.521 120.570 0.176 0.000 2.353 611 I HA -0.151 4.020 4.170 0.002 0.000 0.248 611 I C 2.665 178.816 176.117 0.056 0.000 1.119 611 I CA 1.031 62.401 61.300 0.116 0.000 1.417 611 I CB -0.227 37.758 38.000 -0.025 0.000 1.078 611 I HN 0.264 nan 8.210 nan 0.000 0.421 612 Q N 0.714 120.536 119.800 0.036 0.000 2.172 612 Q HA -0.148 4.193 4.340 0.002 0.000 0.200 612 Q C 1.989 178.003 176.000 0.022 0.000 0.964 612 Q CA 1.315 57.129 55.803 0.019 0.000 0.855 612 Q CB -0.141 28.604 28.738 0.011 0.000 0.918 612 Q HN 0.279 nan 8.270 nan 0.000 0.444 613 L N -0.533 120.708 121.223 0.031 0.000 2.017 613 L HA -0.200 4.141 4.340 0.002 0.000 0.208 613 L C 2.186 179.067 176.870 0.019 0.000 1.073 613 L CA 1.546 56.398 54.840 0.019 0.000 0.745 613 L CB -1.007 41.063 42.059 0.017 0.000 0.894 613 L HN 0.350 nan 8.230 nan 0.000 0.432 614 C N -0.895 118.430 119.300 0.041 0.000 2.393 614 C HA -0.221 4.241 4.460 0.002 0.000 0.276 614 C C 2.961 177.964 174.990 0.022 0.000 1.215 614 C CA 1.284 60.327 59.018 0.041 0.000 1.743 614 C CB -0.926 26.874 27.740 0.099 0.000 2.044 614 C HN 0.542 nan 8.230 nan 0.000 0.464 615 R N 0.707 121.219 120.500 0.021 0.000 2.091 615 R HA -0.147 4.194 4.340 0.002 0.000 0.238 615 R C 1.624 177.925 176.300 0.001 0.000 1.136 615 R CA 1.992 58.097 56.100 0.008 0.000 0.959 615 R CB -0.415 29.888 30.300 0.006 0.000 0.856 615 R HN 0.518 nan 8.270 nan 0.000 0.437 616 D N 0.012 120.413 120.400 0.001 0.000 2.178 616 D HA -0.108 4.533 4.640 0.002 0.000 0.202 616 D C 1.179 177.473 176.300 -0.010 0.000 0.974 616 D CA 1.402 55.399 54.000 -0.006 0.000 0.841 616 D CB 0.023 40.820 40.800 -0.005 0.000 0.953 616 D HN 0.391 nan 8.370 nan 0.000 0.478 617 A N -0.331 122.483 122.820 -0.009 0.000 2.307 617 A HA 0.454 4.775 4.320 0.002 0.000 0.218 617 A C 1.608 179.181 177.584 -0.018 0.000 1.228 617 A CA 0.708 52.736 52.037 -0.016 0.000 0.857 617 A CB -0.172 18.817 19.000 -0.018 0.000 0.897 617 A HN 0.180 nan 8.150 nan 0.000 0.495 618 G N -0.339 108.453 108.800 -0.013 0.000 2.198 618 G HA2 -0.241 3.720 3.960 0.002 0.000 0.260 618 G HA3 -0.241 3.720 3.960 0.002 0.000 0.260 618 G C 0.009 174.903 174.900 -0.010 0.000 1.025 618 G CA 0.531 45.623 45.100 -0.014 0.000 0.769 618 G HN 0.517 nan 8.290 nan 0.000 0.507 619 I N 0.531 121.100 120.570 -0.002 0.000 2.312 619 I HA 0.324 4.496 4.170 0.002 0.000 0.290 619 I C 1.056 177.186 176.117 0.021 0.000 1.008 619 I CA -0.821 60.481 61.300 0.005 0.000 1.226 619 I CB 1.097 39.098 38.000 0.002 0.000 1.371 619 I HN 0.023 nan 8.210 nan 0.000 0.468 620 R N 4.669 125.181 120.500 0.020 0.000 2.490 620 R HA 0.467 4.809 4.340 0.002 0.000 0.280 620 R C -1.016 175.312 176.300 0.046 0.000 1.077 620 R CA -0.325 55.789 56.100 0.024 0.000 1.065 620 R CB 1.317 31.629 30.300 0.019 0.000 1.003 620 R HN 0.360 nan 8.270 nan 0.000 0.470 621 V N 6.155 126.086 119.914 0.028 0.000 2.417 621 V HA 0.419 4.540 4.120 0.002 0.000 0.291 621 V C 0.052 176.129 176.094 -0.029 0.000 1.024 621 V CA -0.561 61.763 62.300 0.040 0.000 0.861 621 V CB 1.732 33.563 31.823 0.013 0.000 0.985 621 V HN 0.613 nan 8.190 nan 0.000 0.436 622 I N 5.461 126.039 120.570 0.014 0.000 2.418 622 I HA 0.468 4.639 4.170 0.002 0.000 0.287 622 I C -0.184 175.936 176.117 0.005 0.000 1.008 622 I CA -0.367 60.944 61.300 0.017 0.000 1.104 622 I CB 1.829 39.905 38.000 0.126 0.000 1.264 622 I HN 0.590 nan 8.210 nan 0.000 0.438 623 M N 7.546 127.113 119.600 -0.055 0.000 2.233 623 M HA 0.560 5.041 4.480 0.002 0.000 0.355 623 M C -1.472 174.849 176.300 0.035 0.000 1.191 623 M CA -0.130 55.136 55.300 -0.057 0.000 1.101 623 M CB 1.220 33.736 32.600 -0.139 0.000 1.592 623 M HN 0.493 nan 8.290 nan 0.000 0.461 624 I N 4.146 124.740 120.570 0.040 0.000 2.411 624 I HA 0.348 4.520 4.170 0.002 0.000 0.284 624 I C -0.365 175.774 176.117 0.038 0.000 1.012 624 I CA -0.348 60.996 61.300 0.074 0.000 1.119 624 I CB 2.006 40.041 38.000 0.058 0.000 1.261 624 I HN 0.712 nan 8.210 nan 0.000 0.448 625 T N 2.658 117.237 114.554 0.042 0.000 2.864 625 T HA 0.548 4.899 4.350 0.002 0.000 0.289 625 T C 0.804 175.527 174.700 0.038 0.000 1.082 625 T CA -0.206 61.909 62.100 0.025 0.000 1.009 625 T CB 1.841 70.712 68.868 0.004 0.000 1.234 625 T HN 0.654 nan 8.240 nan 0.000 0.526 626 G N 0.608 109.425 108.800 0.029 0.000 2.986 626 G HA2 0.212 4.173 3.960 0.002 0.000 0.213 626 G HA3 0.212 4.173 3.960 0.002 0.000 0.213 626 G C 0.072 174.991 174.900 0.032 0.000 1.156 626 G CA -0.149 44.973 45.100 0.036 0.000 0.763 626 G HN 0.659 nan 8.290 nan 0.000 0.547 627 D N 0.933 121.347 120.400 0.024 0.000 2.354 627 D HA 0.224 4.865 4.640 0.002 0.000 0.238 627 D C 0.748 177.064 176.300 0.026 0.000 1.250 627 D CA -0.076 53.936 54.000 0.021 0.000 0.911 627 D CB 0.555 41.361 40.800 0.011 0.000 1.163 627 D HN 0.390 nan 8.370 nan 0.000 0.456 628 N N -0.289 118.426 118.700 0.024 0.000 2.467 628 N HA 0.013 4.754 4.740 0.002 0.000 0.262 628 N C 0.647 176.169 175.510 0.020 0.000 1.234 628 N CA -0.519 52.547 53.050 0.026 0.000 0.952 628 N CB 0.799 39.301 38.487 0.024 0.000 1.158 628 N HN 0.340 nan 8.380 nan 0.000 0.463 629 K N 0.687 121.098 120.400 0.019 0.000 2.015 629 K HA -0.215 4.106 4.320 0.002 0.000 0.216 629 K C 1.872 178.471 176.600 -0.002 0.000 1.052 629 K CA 2.089 58.378 56.287 0.004 0.000 0.937 629 K CB -1.009 31.488 32.500 -0.005 0.000 0.719 629 K HN 0.769 nan 8.250 nan 0.000 0.446 630 G N -0.243 108.556 108.800 -0.002 0.000 2.469 630 G HA2 -0.327 3.634 3.960 0.002 0.000 0.220 630 G HA3 -0.327 3.634 3.960 0.002 0.000 0.220 630 G C 1.513 176.417 174.900 0.006 0.000 1.136 630 G CA 1.786 46.884 45.100 -0.003 0.000 0.759 630 G HN 0.598 nan 8.290 nan 0.000 0.562 631 T N -1.220 113.340 114.554 0.010 0.000 2.937 631 T HA 0.374 4.725 4.350 0.002 0.000 0.260 631 T C 2.613 177.318 174.700 0.010 0.000 1.051 631 T CA 1.312 63.418 62.100 0.011 0.000 1.141 631 T CB -0.262 68.613 68.868 0.011 0.000 0.879 631 T HN 0.326 nan 8.240 nan 0.000 0.459 632 A N 2.057 124.883 122.820 0.009 0.000 1.908 632 A HA 0.028 4.349 4.320 0.002 0.000 0.218 632 A C 2.363 179.960 177.584 0.021 0.000 1.181 632 A CA 1.561 53.600 52.037 0.004 0.000 0.627 632 A CB -0.976 18.026 19.000 0.004 0.000 0.818 632 A HN 0.597 nan 8.150 nan 0.000 0.445 633 I N -0.348 120.252 120.570 0.050 0.000 2.226 633 I HA -0.294 3.877 4.170 0.002 0.000 0.245 633 I C 3.004 179.182 176.117 0.102 0.000 1.100 633 I CA 1.039 62.412 61.300 0.122 0.000 1.374 633 I CB -0.559 37.476 38.000 0.058 0.000 1.057 633 I HN 0.375 nan 8.210 nan 0.000 0.413 634 A N 1.579 124.426 122.820 0.045 0.000 1.873 634 A HA -0.218 4.103 4.320 0.002 0.000 0.218 634 A C 2.298 179.893 177.584 0.018 0.000 1.193 634 A CA 1.796 53.851 52.037 0.030 0.000 0.629 634 A CB -1.002 18.008 19.000 0.017 0.000 0.826 634 A HN 0.407 nan 8.150 nan 0.000 0.447 635 I N -0.530 120.039 120.570 -0.002 0.000 2.335 635 I HA -0.347 3.824 4.170 0.002 0.000 0.251 635 I C 2.373 178.455 176.117 -0.059 0.000 1.129 635 I CA 1.181 62.460 61.300 -0.034 0.000 1.402 635 I CB -0.527 37.446 38.000 -0.045 0.000 1.069 635 I HN 0.398 nan 8.210 nan 0.000 0.424 636 C N 0.326 119.597 119.300 -0.048 0.000 2.450 636 C HA -0.038 4.423 4.460 0.002 0.000 0.279 636 C C 2.875 177.844 174.990 -0.034 0.000 1.335 636 C CA 0.404 59.343 59.018 -0.131 0.000 1.749 636 C CB -1.085 26.484 27.740 -0.286 0.000 1.963 636 C HN 0.424 nan 8.230 nan 0.000 0.501 637 R N 0.582 121.129 120.500 0.078 0.000 2.090 637 R HA -0.073 4.268 4.340 0.002 0.000 0.228 637 R C 2.452 178.761 176.300 0.015 0.000 1.110 637 R CA 0.901 57.052 56.100 0.085 0.000 0.973 637 R CB -0.363 29.985 30.300 0.080 0.000 0.869 637 R HN 0.527 nan 8.270 nan 0.000 0.440 638 R N 1.791 122.286 120.500 -0.007 0.000 2.080 638 R HA -0.142 4.199 4.340 0.002 0.000 0.236 638 R C 2.199 178.469 176.300 -0.049 0.000 1.137 638 R CA 2.013 58.096 56.100 -0.029 0.000 0.943 638 R CB -0.330 29.948 30.300 -0.037 0.000 0.846 638 R HN 0.357 nan 8.270 nan 0.000 0.431 639 I N -3.365 117.160 120.570 -0.076 0.000 3.428 639 I HA 0.312 4.483 4.170 0.002 0.000 0.286 639 I C 0.964 177.024 176.117 -0.095 0.000 1.287 639 I CA 0.889 62.130 61.300 -0.099 0.000 1.396 639 I CB 0.546 38.457 38.000 -0.148 0.000 1.062 639 I HN 0.443 nan 8.210 nan 0.000 0.471 640 G N 1.752 110.506 108.800 -0.076 0.000 2.184 640 G HA2 -0.244 3.717 3.960 0.002 0.000 0.206 640 G HA3 -0.244 3.717 3.960 0.002 0.000 0.206 640 G C 0.687 175.536 174.900 -0.085 0.000 0.995 640 G CA 0.264 45.328 45.100 -0.059 0.000 0.651 640 G HN 0.436 nan 8.290 nan 0.000 0.511 641 I N -0.134 120.332 120.570 -0.173 0.000 2.252 641 I HA 0.152 4.323 4.170 0.002 0.000 0.245 641 I C 1.099 177.071 176.117 -0.242 0.000 1.102 641 I CA 1.149 62.273 61.300 -0.294 0.000 1.385 641 I CB -0.081 37.614 38.000 -0.507 0.000 1.064 641 I HN 0.204 nan 8.210 nan 0.000 0.414 642 F N -0.128 119.785 119.950 -0.063 0.000 2.508 642 F HA 0.480 5.008 4.527 0.002 0.000 0.325 642 F C 0.980 176.752 175.800 -0.047 0.000 1.090 642 F CA -1.219 56.747 58.000 -0.057 0.000 0.945 642 F CB 1.351 40.312 39.000 -0.066 0.000 1.156 642 F HN -0.161 nan 8.300 nan 0.000 0.463 643 G N 1.153 110.057 108.800 0.173 0.000 2.636 643 G HA2 0.031 3.992 3.960 0.002 0.000 0.246 643 G HA3 0.031 3.992 3.960 0.002 0.000 0.246 643 G C 0.617 175.547 174.900 0.051 0.000 1.216 643 G CA -0.248 44.896 45.100 0.072 0.000 0.854 643 G HN 0.880 nan 8.290 nan 0.000 0.572 644 E N -0.024 120.192 120.200 0.026 0.000 2.058 644 E HA -0.135 4.217 4.350 0.002 0.000 0.194 644 E C 0.245 176.843 176.600 -0.003 0.000 0.997 644 E CA 0.946 57.355 56.400 0.015 0.000 0.801 644 E CB 0.029 29.735 29.700 0.010 0.000 0.746 644 E HN 0.411 nan 8.360 nan 0.000 0.450 645 N N 1.148 119.840 118.700 -0.014 0.000 2.776 645 N HA 0.152 4.893 4.740 0.002 0.000 0.245 645 N C -1.585 173.895 175.510 -0.050 0.000 1.121 645 N CA -0.005 53.025 53.050 -0.033 0.000 0.852 645 N CB 1.492 39.964 38.487 -0.025 0.000 1.142 645 N HN 0.171 nan 8.380 nan 0.000 0.514 646 E N 1.056 121.204 120.200 -0.086 0.000 2.278 646 E HA 0.111 4.462 4.350 0.002 0.000 0.272 646 E C -1.305 175.168 176.600 -0.211 0.000 0.890 646 E CA -0.605 55.721 56.400 -0.122 0.000 0.770 646 E CB 1.796 31.437 29.700 -0.098 0.000 1.212 646 E HN 0.105 nan 8.360 nan 0.000 0.415 647 E N 2.785 122.875 120.200 -0.185 0.000 2.351 647 E HA 0.088 4.440 4.350 0.002 0.000 0.266 647 E C -0.018 176.386 176.600 -0.326 0.000 1.031 647 E CA 0.220 56.492 56.400 -0.214 0.000 0.911 647 E CB 0.990 30.603 29.700 -0.146 0.000 0.986 647 E HN 0.342 nan 8.360 nan 0.000 0.446 648 V N 1.909 121.559 119.914 -0.440 0.000 3.111 648 V HA 0.515 4.636 4.120 0.002 0.000 0.343 648 V C 0.862 176.694 176.094 -0.438 0.000 1.417 648 V CA 0.179 62.099 62.300 -0.633 0.000 1.142 648 V CB 0.404 31.366 31.823 -1.436 0.000 1.114 648 V HN 0.547 nan 8.190 nan 0.000 0.520 649 A N 0.144 122.780 122.820 -0.307 0.000 2.265 649 A HA 0.247 4.568 4.320 0.002 0.000 0.213 649 A C 1.282 178.699 177.584 -0.279 0.000 1.255 649 A CA 1.343 53.222 52.037 -0.262 0.000 0.862 649 A CB -0.476 18.417 19.000 -0.179 0.000 0.852 649 A HN 0.680 nan 8.150 nan 0.000 0.484 650 D N -1.654 118.571 120.400 -0.292 0.000 2.510 650 D HA 0.127 4.769 4.640 0.002 0.000 0.234 650 D C 1.300 177.470 176.300 -0.216 0.000 1.178 650 D CA 0.239 54.108 54.000 -0.218 0.000 0.816 650 D CB 0.290 41.033 40.800 -0.094 0.000 1.143 650 D HN 0.304 nan 8.370 nan 0.000 0.526 651 R N -0.030 120.312 120.500 -0.263 0.000 2.543 651 R HA 0.607 4.948 4.340 0.002 0.000 0.323 651 R C -0.332 175.891 176.300 -0.129 0.000 1.002 651 R CA -0.094 55.963 56.100 -0.072 0.000 1.106 651 R CB 1.820 32.177 30.300 0.095 0.000 1.280 651 R HN -0.003 nan 8.270 nan 0.000 0.549 652 A N 0.598 123.132 122.820 -0.478 0.000 2.393 652 A HA 0.743 5.065 4.320 0.002 0.000 0.306 652 A C -1.547 175.607 177.584 -0.718 0.000 1.050 652 A CA -0.554 51.247 52.037 -0.393 0.000 0.724 652 A CB 0.965 19.880 19.000 -0.143 0.000 1.248 652 A HN 0.177 nan 8.150 nan 0.000 0.424 653 Y N 0.058 120.189 120.300 -0.282 0.000 2.513 653 Y HA 0.542 5.093 4.550 0.002 0.000 0.340 653 Y C 0.714 176.593 175.900 -0.035 0.000 1.055 653 Y CA -0.435 57.586 58.100 -0.131 0.000 1.020 653 Y CB 2.392 40.810 38.460 -0.070 0.000 1.301 653 Y HN 0.795 nan 8.280 nan 0.000 0.453 654 T N -2.184 112.489 114.554 0.199 0.000 2.918 654 T HA 0.396 4.747 4.350 0.002 0.000 0.283 654 T C 1.287 176.110 174.700 0.205 0.000 1.001 654 T CA -0.139 62.057 62.100 0.162 0.000 1.041 654 T CB 1.570 70.510 68.868 0.119 0.000 1.028 654 T HN 0.873 nan 8.240 nan 0.000 0.511 655 G N 0.950 109.842 108.800 0.152 0.000 2.450 655 G HA2 -0.252 3.709 3.960 0.002 0.000 0.220 655 G HA3 -0.252 3.709 3.960 0.002 0.000 0.220 655 G C 1.579 176.618 174.900 0.231 0.000 1.130 655 G CA 0.848 46.019 45.100 0.119 0.000 0.760 655 G HN 0.778 nan 8.290 nan 0.000 0.557 656 R N 1.021 121.637 120.500 0.194 0.000 2.070 656 R HA -0.046 4.295 4.340 0.002 0.000 0.232 656 R C 2.377 178.778 176.300 0.168 0.000 1.138 656 R CA 2.160 58.359 56.100 0.165 0.000 0.936 656 R CB -0.957 29.416 30.300 0.122 0.000 0.839 656 R HN 0.464 nan 8.270 nan 0.000 0.429 657 E N -0.772 119.538 120.200 0.184 0.000 2.085 657 E HA -0.219 4.132 4.350 0.002 0.000 0.194 657 E C 1.892 178.616 176.600 0.207 0.000 0.994 657 E CA 1.553 58.073 56.400 0.200 0.000 0.801 657 E CB -0.338 29.522 29.700 0.266 0.000 0.743 657 E HN 0.369 nan 8.360 nan 0.000 0.453 658 F N 1.790 121.785 119.950 0.075 0.000 2.134 658 F HA -0.192 4.336 4.527 0.002 0.000 0.299 658 F C 1.766 177.575 175.800 0.014 0.000 1.097 658 F CA 1.320 59.312 58.000 -0.014 0.000 1.264 658 F CB 0.193 39.165 39.000 -0.048 0.000 1.001 658 F HN -0.102 nan 8.300 nan 0.000 0.479 659 D N -0.080 120.417 120.400 0.163 0.000 2.264 659 D HA -0.166 4.475 4.640 0.002 0.000 0.208 659 D C 1.541 177.846 176.300 0.007 0.000 0.966 659 D CA 1.207 55.274 54.000 0.112 0.000 0.864 659 D CB -0.433 40.502 40.800 0.225 0.000 0.933 659 D HN 0.393 nan 8.370 nan 0.000 0.499 660 D N -0.589 119.818 120.400 0.011 0.000 2.363 660 D HA -0.009 4.632 4.640 0.002 0.000 0.220 660 D C 0.208 176.474 176.300 -0.058 0.000 0.994 660 D CA 0.169 54.166 54.000 -0.005 0.000 0.890 660 D CB 0.206 41.022 40.800 0.027 0.000 0.906 660 D HN 0.101 nan 8.370 nan 0.000 0.530 661 L N 1.545 122.683 121.223 -0.142 0.000 2.334 661 L HA 0.416 4.757 4.340 0.002 0.000 0.277 661 L C -1.880 174.867 176.870 -0.205 0.000 1.075 661 L CA -1.981 52.744 54.840 -0.191 0.000 0.804 661 L CB 1.165 43.040 42.059 -0.308 0.000 1.174 661 L HN -0.068 nan 8.230 nan 0.000 0.438 662 P HA 0.107 nan 4.420 nan 0.000 0.276 662 P C 0.688 177.894 177.300 -0.156 0.000 1.252 662 P CA -0.648 62.382 63.100 -0.118 0.000 0.802 662 P CB 1.198 32.853 31.700 -0.075 0.000 1.035 663 L N 1.896 123.058 121.223 -0.102 0.000 2.030 663 L HA -0.295 4.046 4.340 0.002 0.000 0.222 663 L C 2.662 179.442 176.870 -0.149 0.000 1.082 663 L CA 3.015 57.805 54.840 -0.084 0.000 0.785 663 L CB -2.075 39.988 42.059 0.007 0.000 0.895 663 L HN 0.522 nan 8.230 nan 0.000 0.439 664 A N -1.710 121.046 122.820 -0.106 0.000 2.015 664 A HA -0.153 4.168 4.320 0.002 0.000 0.219 664 A C 2.165 179.669 177.584 -0.134 0.000 1.163 664 A CA 1.392 53.371 52.037 -0.097 0.000 0.646 664 A CB -0.354 18.616 19.000 -0.051 0.000 0.806 664 A HN 0.566 nan 8.150 nan 0.000 0.448 665 E N -0.247 119.854 120.200 -0.166 0.000 2.033 665 E HA -0.179 4.172 4.350 0.002 0.000 0.189 665 E C 2.212 178.637 176.600 -0.291 0.000 0.979 665 E CA 1.040 57.334 56.400 -0.175 0.000 0.802 665 E CB -0.314 29.290 29.700 -0.159 0.000 0.763 665 E HN 0.690 nan 8.360 nan 0.000 0.449 666 Q N 0.671 120.186 119.800 -0.476 0.000 2.096 666 Q HA -0.257 4.084 4.340 0.002 0.000 0.208 666 Q C 2.337 177.962 176.000 -0.625 0.000 0.993 666 Q CA 1.790 57.146 55.803 -0.745 0.000 0.862 666 Q CB -0.369 27.765 28.738 -1.007 0.000 0.915 666 Q HN 0.148 nan 8.270 nan 0.000 0.416 667 R N 0.797 120.790 120.500 -0.846 0.000 2.081 667 R HA -0.207 4.134 4.340 0.002 0.000 0.235 667 R C 2.041 178.333 176.300 -0.014 0.000 1.131 667 R CA 1.717 57.471 56.100 -0.577 0.000 0.960 667 R CB -0.078 30.057 30.300 -0.275 0.000 0.856 667 R HN 0.094 nan 8.270 nan 0.000 0.436 668 E N 0.398 120.576 120.200 -0.037 0.000 2.106 668 E HA -0.094 4.257 4.350 0.002 0.000 0.192 668 E C 1.684 178.298 176.600 0.023 0.000 0.984 668 E CA 1.557 57.983 56.400 0.044 0.000 0.806 668 E CB -0.197 29.507 29.700 0.007 0.000 0.750 668 E HN 0.475 nan 8.360 nan 0.000 0.458 669 A N -0.311 122.495 122.820 -0.023 0.000 1.933 669 A HA -0.184 4.137 4.320 0.002 0.000 0.218 669 A C 2.462 180.141 177.584 0.157 0.000 1.175 669 A CA 1.474 53.503 52.037 -0.013 0.000 0.628 669 A CB -0.872 17.955 19.000 -0.288 0.000 0.814 669 A HN 0.490 nan 8.150 nan 0.000 0.444 670 C N -0.280 119.149 119.300 0.216 0.000 2.448 670 C HA -0.008 4.453 4.460 0.002 0.000 0.280 670 C C 2.725 177.790 174.990 0.126 0.000 1.398 670 C CA 0.797 59.979 59.018 0.274 0.000 1.774 670 C CB -1.327 26.612 27.740 0.332 0.000 1.888 670 C HN 0.792 nan 8.230 nan 0.000 0.519 671 R N 2.080 122.562 120.500 -0.029 0.000 2.189 671 R HA -0.060 4.281 4.340 0.002 0.000 0.218 671 R C 1.889 178.106 176.300 -0.139 0.000 1.074 671 R CA 1.494 57.407 56.100 -0.311 0.000 0.991 671 R CB -0.359 29.443 30.300 -0.829 0.000 0.883 671 R HN 0.684 nan 8.270 nan 0.000 0.457 672 R N -0.215 120.275 120.500 -0.017 0.000 2.469 672 R HA 0.408 4.749 4.340 0.002 0.000 0.250 672 R C 0.204 176.557 176.300 0.089 0.000 0.909 672 R CA 0.157 56.273 56.100 0.027 0.000 1.050 672 R CB 0.398 30.717 30.300 0.032 0.000 1.256 672 R HN 0.082 nan 8.270 nan 0.000 0.550 673 A N 0.472 123.372 122.820 0.133 0.000 2.466 673 A HA 0.271 4.592 4.320 0.002 0.000 0.238 673 A C 0.505 178.113 177.584 0.040 0.000 1.074 673 A CA -0.164 51.930 52.037 0.095 0.000 0.774 673 A CB 0.478 19.482 19.000 0.007 0.000 1.015 673 A HN 0.510 nan 8.150 nan 0.000 0.498 674 C N -0.269 119.013 119.300 -0.031 0.000 3.882 674 C HA 0.417 4.878 4.460 0.002 0.000 0.340 674 C C 0.300 175.160 174.990 -0.217 0.000 1.563 674 C CA 0.067 59.008 59.018 -0.129 0.000 1.870 674 C CB -1.042 26.536 27.740 -0.270 0.000 2.795 674 C HN 0.925 nan 8.230 nan 0.000 0.692 675 C N 1.012 120.171 119.300 -0.235 0.000 2.752 675 C HA 0.693 5.155 4.460 0.002 0.000 0.360 675 C C -1.871 172.883 174.990 -0.392 0.000 1.081 675 C CA -0.582 58.307 59.018 -0.216 0.000 1.272 675 C CB -0.273 27.386 27.740 -0.135 0.000 1.754 675 C HN 0.400 nan 8.230 nan 0.000 0.483 676 F N 4.624 124.563 119.950 -0.019 0.000 2.460 676 F HA 0.702 5.230 4.527 0.002 0.000 0.341 676 F C 0.550 176.334 175.800 -0.027 0.000 1.130 676 F CA -0.062 57.916 58.000 -0.036 0.000 0.962 676 F CB 1.854 40.781 39.000 -0.122 0.000 1.171 676 F HN 0.892 nan 8.300 nan 0.000 0.436 677 A N 3.181 126.078 122.820 0.127 0.000 2.356 677 A HA 0.795 5.116 4.320 0.002 0.000 0.323 677 A C -0.083 177.562 177.584 0.101 0.000 1.119 677 A CA -0.906 51.184 52.037 0.088 0.000 0.790 677 A CB 0.939 19.968 19.000 0.048 0.000 1.273 677 A HN 0.759 nan 8.150 nan 0.000 0.452 678 R N -0.529 120.023 120.500 0.086 0.000 3.022 678 R HA -0.140 4.201 4.340 0.002 0.000 0.248 678 R C -0.643 175.735 176.300 0.131 0.000 0.874 678 R CA 0.612 56.768 56.100 0.094 0.000 0.626 678 R CB -2.243 28.108 30.300 0.085 0.000 1.255 678 R HN 0.699 nan 8.270 nan 0.000 0.496 679 V N 1.113 121.112 119.914 0.142 0.000 2.881 679 V HA 0.347 4.468 4.120 0.002 0.000 0.316 679 V C 0.335 176.587 176.094 0.265 0.000 1.070 679 V CA -0.751 61.687 62.300 0.229 0.000 0.976 679 V CB 2.205 34.105 31.823 0.127 0.000 1.038 679 V HN 0.281 nan 8.190 nan 0.000 0.446 680 E N 5.306 125.772 120.200 0.443 0.000 2.283 680 E HA 0.311 4.663 4.350 0.002 0.000 0.271 680 E C -1.844 174.753 176.600 -0.004 0.000 1.031 680 E CA -2.046 54.381 56.400 0.046 0.000 0.868 680 E CB 0.891 30.434 29.700 -0.261 0.000 1.094 680 E HN 0.469 nan 8.360 nan 0.000 0.401 681 P HA -0.180 nan 4.420 nan 0.000 0.218 681 P C 1.117 178.384 177.300 -0.056 0.000 1.148 681 P CA 1.365 64.448 63.100 -0.028 0.000 0.822 681 P CB 0.242 31.926 31.700 -0.026 0.000 0.784 682 S N -1.419 114.210 115.700 -0.118 0.000 2.474 682 S HA -0.159 4.312 4.470 0.002 0.000 0.235 682 S C 1.768 176.317 174.600 -0.085 0.000 0.997 682 S CA 0.624 58.752 58.200 -0.119 0.000 0.949 682 S CB -1.612 61.496 63.200 -0.154 0.000 0.766 682 S HN 0.320 nan 8.310 nan 0.000 0.517 683 H N 1.124 120.170 119.070 -0.040 0.000 2.428 683 H HA 0.165 4.723 4.556 0.002 0.000 0.296 683 H C 2.199 177.419 175.328 -0.180 0.000 1.062 683 H CA 1.136 57.127 56.048 -0.094 0.000 1.350 683 H CB 0.064 29.733 29.762 -0.155 0.000 1.403 683 H HN 0.379 nan 8.280 nan 0.000 0.533 684 K N 0.209 120.591 120.400 -0.029 0.000 2.103 684 K HA -0.115 4.206 4.320 0.002 0.000 0.207 684 K C 2.335 178.886 176.600 -0.081 0.000 1.048 684 K CA 1.357 57.592 56.287 -0.086 0.000 0.930 684 K CB 0.012 32.479 32.500 -0.055 0.000 0.716 684 K HN 0.109 nan 8.250 nan 0.000 0.444 685 S N 0.937 116.601 115.700 -0.060 0.000 2.368 685 S HA -0.095 4.376 4.470 0.002 0.000 0.224 685 S C 1.706 176.241 174.600 -0.109 0.000 1.029 685 S CA 1.173 59.330 58.200 -0.073 0.000 0.988 685 S CB -0.010 63.152 63.200 -0.064 0.000 0.838 685 S HN 0.264 nan 8.310 nan 0.000 0.462 686 K N 0.752 121.101 120.400 -0.084 0.000 2.057 686 K HA -0.015 4.306 4.320 0.002 0.000 0.207 686 K C 1.980 178.488 176.600 -0.153 0.000 1.049 686 K CA 1.152 57.343 56.287 -0.160 0.000 0.931 686 K CB -0.360 32.229 32.500 0.148 0.000 0.714 686 K HN 0.346 nan 8.250 nan 0.000 0.440 687 I N 0.699 121.232 120.570 -0.062 0.000 2.163 687 I HA -0.293 3.879 4.170 0.002 0.000 0.243 687 I C 2.275 178.391 176.117 -0.001 0.000 1.085 687 I CA 1.128 62.394 61.300 -0.057 0.000 1.347 687 I CB -0.352 37.451 38.000 -0.327 0.000 1.044 687 I HN -0.069 nan 8.210 nan 0.000 0.408 688 V N 0.788 120.669 119.914 -0.056 0.000 2.287 688 V HA -0.305 3.816 4.120 0.002 0.000 0.248 688 V C 2.528 178.599 176.094 -0.038 0.000 1.053 688 V CA 2.269 64.549 62.300 -0.032 0.000 1.027 688 V CB -0.674 31.121 31.823 -0.047 0.000 0.646 688 V HN 0.451 nan 8.190 nan 0.000 0.447 689 E N -0.081 120.040 120.200 -0.131 0.000 2.038 689 E HA -0.247 4.104 4.350 0.002 0.000 0.195 689 E C 2.049 178.578 176.600 -0.118 0.000 1.000 689 E CA 2.004 58.287 56.400 -0.195 0.000 0.803 689 E CB -0.470 29.001 29.700 -0.381 0.000 0.750 689 E HN 0.652 nan 8.360 nan 0.000 0.448 690 Y N -0.303 120.037 120.300 0.067 0.000 2.224 690 Y HA -0.122 4.429 4.550 0.002 0.000 0.289 690 Y C 2.112 178.127 175.900 0.193 0.000 1.146 690 Y CA 0.772 58.941 58.100 0.116 0.000 1.182 690 Y CB -0.594 37.974 38.460 0.181 0.000 0.983 690 Y HN 0.134 nan 8.280 nan 0.000 0.524 691 L N 0.161 121.562 121.223 0.297 0.000 2.017 691 L HA -0.222 4.120 4.340 0.002 0.000 0.208 691 L C 2.233 179.226 176.870 0.206 0.000 1.073 691 L CA 1.754 56.748 54.840 0.255 0.000 0.745 691 L CB -1.392 40.753 42.059 0.143 0.000 0.894 691 L HN 0.302 nan 8.230 nan 0.000 0.432 692 Q N -1.216 118.650 119.800 0.109 0.000 2.170 692 Q HA -0.172 4.169 4.340 0.002 0.000 0.203 692 Q C 2.066 178.094 176.000 0.048 0.000 0.976 692 Q CA 1.584 57.423 55.803 0.060 0.000 0.858 692 Q CB -0.323 28.421 28.738 0.011 0.000 0.907 692 Q HN 0.609 nan 8.270 nan 0.000 0.433 693 S N -0.676 115.046 115.700 0.036 0.000 2.595 693 S HA -0.109 4.362 4.470 0.002 0.000 0.235 693 S C 0.784 175.261 174.600 -0.205 0.000 0.974 693 S CA 0.521 58.673 58.200 -0.080 0.000 0.942 693 S CB -0.027 63.117 63.200 -0.093 0.000 0.766 693 S HN 0.389 nan 8.310 nan 0.000 0.536 694 Y N 0.785 121.118 120.300 0.054 0.000 2.588 694 Y HA 0.298 4.849 4.550 0.002 0.000 0.247 694 Y C 0.088 176.004 175.900 0.026 0.000 1.157 694 Y CA -0.657 57.469 58.100 0.043 0.000 1.215 694 Y CB 0.520 39.011 38.460 0.052 0.000 1.245 694 Y HN 0.154 nan 8.280 nan 0.000 0.534 695 D N 0.279 120.752 120.400 0.122 0.000 3.068 695 D HA -0.202 4.439 4.640 0.002 0.000 0.218 695 D C -0.182 176.159 176.300 0.069 0.000 1.145 695 D CA 0.852 54.896 54.000 0.072 0.000 0.896 695 D CB -1.129 39.705 40.800 0.057 0.000 1.105 695 D HN 0.367 nan 8.370 nan 0.000 0.423 696 E N -0.010 120.247 120.200 0.094 0.000 2.313 696 E HA 0.260 4.611 4.350 0.002 0.000 0.276 696 E C 0.323 176.945 176.600 0.037 0.000 1.031 696 E CA -0.456 55.983 56.400 0.065 0.000 0.857 696 E CB 0.562 30.315 29.700 0.088 0.000 1.040 696 E HN 0.055 nan 8.360 nan 0.000 0.408 697 I N 4.359 124.937 120.570 0.014 0.000 2.322 697 I HA 0.126 4.297 4.170 0.002 0.000 0.292 697 I C -0.089 176.029 176.117 0.001 0.000 1.060 697 I CA -0.121 61.178 61.300 -0.002 0.000 1.309 697 I CB 0.336 38.323 38.000 -0.020 0.000 1.415 697 I HN 0.405 nan 8.210 nan 0.000 0.492 698 T N 5.957 120.513 114.554 0.005 0.000 2.767 698 T HA 0.614 4.965 4.350 0.002 0.000 0.288 698 T C 0.311 175.008 174.700 -0.004 0.000 0.963 698 T CA -0.534 61.571 62.100 0.007 0.000 1.019 698 T CB 1.567 70.444 68.868 0.016 0.000 0.923 698 T HN 0.679 nan 8.240 nan 0.000 0.468 699 A N 3.870 126.688 122.820 -0.002 0.000 2.288 699 A HA 0.795 5.116 4.320 0.002 0.000 0.320 699 A C -0.421 177.165 177.584 0.004 0.000 1.217 699 A CA -0.762 51.268 52.037 -0.010 0.000 0.840 699 A CB 0.658 19.643 19.000 -0.026 0.000 1.179 699 A HN 0.762 nan 8.150 nan 0.000 0.504 700 M N 2.917 122.516 119.600 -0.002 0.000 2.327 700 M HA 0.511 4.993 4.480 0.002 0.000 0.298 700 M C 0.041 176.343 176.300 0.004 0.000 1.065 700 M CA -0.098 55.204 55.300 0.003 0.000 0.916 700 M CB 2.026 34.621 32.600 -0.009 0.000 1.630 700 M HN 0.752 nan 8.290 nan 0.000 0.442 701 T N 1.374 115.938 114.554 0.016 0.000 2.922 701 T HA 0.974 5.325 4.350 0.002 0.000 0.285 701 T C 0.123 174.828 174.700 0.008 0.000 1.005 701 T CA -0.219 61.891 62.100 0.016 0.000 1.061 701 T CB 1.388 70.279 68.868 0.037 0.000 1.007 701 T HN 1.025 nan 8.240 nan 0.000 0.502 702 G N 0.421 109.224 108.800 0.005 0.000 2.623 702 G HA2 0.536 4.497 3.960 0.002 0.000 0.290 702 G HA3 0.536 4.497 3.960 0.002 0.000 0.290 702 G C -1.128 173.773 174.900 0.001 0.000 1.437 702 G CA -0.442 44.659 45.100 0.001 0.000 0.798 702 G HN 0.774 nan 8.290 nan 0.000 0.488 703 D N -1.843 118.557 120.400 0.001 0.000 2.475 703 D HA 0.331 4.972 4.640 0.002 0.000 0.306 703 D C 0.768 177.068 176.300 -0.002 0.000 1.304 703 D CA 0.675 54.675 54.000 0.000 0.000 0.862 703 D CB 0.397 41.198 40.800 0.003 0.000 1.306 703 D HN 0.878 nan 8.370 nan 0.000 0.494 704 G N 0.071 108.870 108.800 -0.003 0.000 2.730 704 G HA2 0.469 4.430 3.960 0.002 0.000 0.289 704 G HA3 0.469 4.430 3.960 0.002 0.000 0.289 704 G C 1.045 175.941 174.900 -0.006 0.000 1.341 704 G CA -0.356 44.742 45.100 -0.003 0.000 0.932 704 G HN 0.341 nan 8.290 nan 0.000 0.481 705 V N -1.297 118.613 119.914 -0.006 0.000 2.380 705 V HA -0.209 3.912 4.120 0.002 0.000 0.251 705 V C 1.901 177.989 176.094 -0.010 0.000 1.063 705 V CA 2.111 64.407 62.300 -0.008 0.000 1.055 705 V CB -0.592 31.227 31.823 -0.006 0.000 0.657 705 V HN 0.562 nan 8.190 nan 0.000 0.455 706 N N 0.792 119.486 118.700 -0.010 0.000 2.573 706 N HA -0.095 4.646 4.740 0.002 0.000 0.187 706 N C 1.149 176.650 175.510 -0.016 0.000 1.107 706 N CA 1.470 54.512 53.050 -0.014 0.000 0.918 706 N CB -0.208 38.272 38.487 -0.012 0.000 0.966 706 N HN 0.686 nan 8.380 nan 0.000 0.448 707 D N -0.176 120.216 120.400 -0.013 0.000 2.389 707 D HA 0.146 4.787 4.640 0.002 0.000 0.206 707 D C 1.712 178.003 176.300 -0.016 0.000 1.055 707 D CA 0.023 54.015 54.000 -0.014 0.000 0.856 707 D CB 0.143 40.937 40.800 -0.010 0.000 0.957 707 D HN 0.068 nan 8.370 nan 0.000 0.509 708 A N 2.339 125.150 122.820 -0.015 0.000 1.892 708 A HA -0.155 4.166 4.320 0.002 0.000 0.218 708 A C -0.221 177.351 177.584 -0.020 0.000 1.188 708 A CA 1.513 53.541 52.037 -0.016 0.000 0.631 708 A CB -1.486 17.505 19.000 -0.014 0.000 0.822 708 A HN 0.170 nan 8.150 nan 0.000 0.447 709 P HA -0.135 nan 4.420 nan 0.000 0.215 709 P C 1.768 179.049 177.300 -0.031 0.000 1.157 709 P CA 2.048 65.131 63.100 -0.028 0.000 0.868 709 P CB -0.149 31.532 31.700 -0.031 0.000 0.788 710 A N -0.662 122.139 122.820 -0.032 0.000 1.930 710 A HA -0.126 4.195 4.320 0.002 0.000 0.217 710 A C 2.185 179.752 177.584 -0.028 0.000 1.175 710 A CA 1.300 53.317 52.037 -0.035 0.000 0.627 710 A CB -1.586 17.392 19.000 -0.036 0.000 0.815 710 A HN 0.102 nan 8.150 nan 0.000 0.443 711 L N -1.070 120.139 121.223 -0.023 0.000 2.141 711 L HA -0.128 4.213 4.340 0.002 0.000 0.209 711 L C 2.552 179.410 176.870 -0.021 0.000 1.094 711 L CA 1.310 56.138 54.840 -0.020 0.000 0.763 711 L CB -0.493 41.557 42.059 -0.016 0.000 0.908 711 L HN 0.386 nan 8.230 nan 0.000 0.437 712 K N 0.606 120.992 120.400 -0.022 0.000 2.007 712 K HA -0.185 4.136 4.320 0.002 0.000 0.206 712 K C 2.205 178.790 176.600 -0.025 0.000 1.047 712 K CA 1.188 57.461 56.287 -0.022 0.000 0.937 712 K CB 0.022 32.509 32.500 -0.022 0.000 0.718 712 K HN 0.074 nan 8.250 nan 0.000 0.438 713 K N 0.815 121.197 120.400 -0.029 0.000 2.020 713 K HA -0.118 4.203 4.320 0.002 0.000 0.212 713 K C 0.430 177.014 176.600 -0.028 0.000 1.050 713 K CA 1.130 57.397 56.287 -0.032 0.000 0.929 713 K CB -0.234 32.241 32.500 -0.042 0.000 0.714 713 K HN 0.165 nan 8.250 nan 0.000 0.443 714 A N 1.285 124.089 122.820 -0.026 0.000 2.520 714 A HA -0.049 4.272 4.320 0.002 0.000 0.235 714 A C 0.624 178.196 177.584 -0.019 0.000 1.065 714 A CA 0.053 52.078 52.037 -0.020 0.000 0.764 714 A CB 0.255 19.244 19.000 -0.018 0.000 1.002 714 A HN 0.408 nan 8.150 nan 0.000 0.502 715 E N 0.419 120.609 120.200 -0.017 0.000 2.110 715 E HA -0.058 4.293 4.350 0.002 0.000 0.193 715 E C 0.153 176.739 176.600 -0.023 0.000 0.988 715 E CA 1.125 57.513 56.400 -0.020 0.000 0.804 715 E CB 0.045 29.733 29.700 -0.019 0.000 0.745 715 E HN 0.524 nan 8.360 nan 0.000 0.458 716 I N 0.909 121.465 120.570 -0.024 0.000 2.537 716 I HA 0.290 4.461 4.170 0.002 0.000 0.276 716 I C 0.208 176.310 176.117 -0.025 0.000 1.063 716 I CA -0.397 60.886 61.300 -0.028 0.000 1.144 716 I CB 0.844 38.823 38.000 -0.036 0.000 1.252 716 I HN -0.120 nan 8.210 nan 0.000 0.480 717 G N 7.012 115.798 108.800 -0.023 0.000 2.355 717 G HA2 0.595 4.556 3.960 0.002 0.000 0.276 717 G HA3 0.595 4.556 3.960 0.002 0.000 0.276 717 G C -0.290 174.598 174.900 -0.020 0.000 1.198 717 G CA -0.252 44.836 45.100 -0.020 0.000 0.876 717 G HN 0.507 nan 8.290 nan 0.000 0.478 718 I N 2.201 122.761 120.570 -0.017 0.000 2.382 718 I HA 0.441 4.612 4.170 0.002 0.000 0.285 718 I C 0.480 176.591 176.117 -0.010 0.000 1.007 718 I CA -0.647 60.643 61.300 -0.018 0.000 1.142 718 I CB 1.833 39.820 38.000 -0.023 0.000 1.289 718 I HN 0.525 nan 8.210 nan 0.000 0.453 719 A N 7.609 130.423 122.820 -0.011 0.000 2.312 719 A HA 0.776 5.097 4.320 0.002 0.000 0.326 719 A C -0.082 177.499 177.584 -0.004 0.000 1.172 719 A CA -0.695 51.338 52.037 -0.006 0.000 0.821 719 A CB 0.868 19.863 19.000 -0.008 0.000 1.166 719 A HN 0.588 nan 8.150 nan 0.000 0.493 720 M N 2.384 121.984 119.600 -0.000 0.000 2.219 720 M HA 0.136 4.617 4.480 0.002 0.000 0.353 720 M C 1.606 177.906 176.300 -0.001 0.000 1.304 720 M CA -0.120 55.181 55.300 0.002 0.000 1.115 720 M CB 0.174 32.777 32.600 0.005 0.000 1.664 720 M HN 0.920 nan 8.290 nan 0.000 0.459 721 G N 1.847 110.647 108.800 -0.001 0.000 2.485 721 G HA2 -0.197 3.764 3.960 0.002 0.000 0.221 721 G HA3 -0.197 3.764 3.960 0.002 0.000 0.221 721 G C 1.269 176.167 174.900 -0.003 0.000 1.115 721 G CA 1.257 46.356 45.100 -0.001 0.000 0.751 721 G HN 0.760 nan 8.290 nan 0.000 0.567 722 S N -0.199 115.500 115.700 -0.002 0.000 2.575 722 S HA 0.450 4.921 4.470 0.002 0.000 0.215 722 S C 1.248 175.845 174.600 -0.004 0.000 0.966 722 S CA 0.253 58.450 58.200 -0.004 0.000 0.911 722 S CB 0.355 63.553 63.200 -0.003 0.000 0.780 722 S HN 0.470 nan 8.310 nan 0.000 0.514 723 G N 1.643 110.442 108.800 -0.003 0.000 2.525 723 G HA2 0.477 4.438 3.960 0.002 0.000 0.287 723 G HA3 0.477 4.438 3.960 0.002 0.000 0.287 723 G C 0.040 174.937 174.900 -0.005 0.000 1.350 723 G CA -0.175 44.923 45.100 -0.003 0.000 1.039 723 G HN 0.463 nan 8.290 nan 0.000 0.513 724 T N -2.775 111.776 114.554 -0.005 0.000 2.856 724 T HA 0.398 4.749 4.350 0.002 0.000 0.306 724 T C 1.534 176.230 174.700 -0.006 0.000 1.062 724 T CA 0.399 62.496 62.100 -0.006 0.000 1.083 724 T CB 1.379 70.244 68.868 -0.005 0.000 0.984 724 T HN 0.877 nan 8.240 nan 0.000 0.542 725 A N 1.648 124.464 122.820 -0.007 0.000 2.014 725 A HA 0.083 4.404 4.320 0.002 0.000 0.218 725 A C 2.356 179.936 177.584 -0.006 0.000 1.163 725 A CA 1.082 53.115 52.037 -0.007 0.000 0.652 725 A CB -0.975 18.020 19.000 -0.008 0.000 0.808 725 A HN 0.861 nan 8.150 nan 0.000 0.449 726 V N -0.125 119.786 119.914 -0.005 0.000 2.392 726 V HA -0.217 3.904 4.120 0.002 0.000 0.249 726 V C 2.717 178.807 176.094 -0.006 0.000 1.059 726 V CA 2.367 64.664 62.300 -0.005 0.000 1.051 726 V CB -0.671 31.149 31.823 -0.005 0.000 0.658 726 V HN 0.588 nan 8.190 nan 0.000 0.455 727 A N -0.366 122.450 122.820 -0.007 0.000 1.873 727 A HA -0.186 4.135 4.320 0.002 0.000 0.215 727 A C 2.217 179.796 177.584 -0.008 0.000 1.186 727 A CA 1.828 53.860 52.037 -0.007 0.000 0.616 727 A CB -0.556 18.441 19.000 -0.006 0.000 0.823 727 A HN 0.585 nan 8.150 nan 0.000 0.442 728 K N -0.650 119.746 120.400 -0.007 0.000 2.074 728 K HA -0.144 4.177 4.320 0.002 0.000 0.209 728 K C 2.048 178.644 176.600 -0.008 0.000 1.048 728 K CA 1.851 58.134 56.287 -0.007 0.000 0.926 728 K CB -0.559 31.937 32.500 -0.006 0.000 0.713 728 K HN 0.487 nan 8.250 nan 0.000 0.444 729 T N 1.119 115.669 114.554 -0.007 0.000 2.746 729 T HA -0.110 4.241 4.350 0.002 0.000 0.267 729 T C 1.753 176.448 174.700 -0.009 0.000 1.039 729 T CA 1.351 63.447 62.100 -0.007 0.000 1.142 729 T CB -0.163 68.702 68.868 -0.005 0.000 0.866 729 T HN 0.327 nan 8.240 nan 0.000 0.444 730 A N 1.655 124.469 122.820 -0.010 0.000 2.258 730 A HA 0.337 4.658 4.320 0.002 0.000 0.206 730 A C 1.198 178.774 177.584 -0.014 0.000 1.222 730 A CA 0.137 52.166 52.037 -0.012 0.000 0.822 730 A CB -0.450 18.543 19.000 -0.013 0.000 0.804 730 A HN 0.509 nan 8.150 nan 0.000 0.483 731 S N -2.119 113.572 115.700 -0.014 0.000 2.671 731 S HA 0.603 5.074 4.470 0.002 0.000 0.299 731 S C 0.054 174.644 174.600 -0.018 0.000 1.116 731 S CA -0.501 57.690 58.200 -0.016 0.000 0.912 731 S CB 1.402 64.593 63.200 -0.015 0.000 1.130 731 S HN 0.052 nan 8.310 nan 0.000 0.501 732 E N 0.102 120.289 120.200 -0.021 0.000 2.340 732 E HA 0.373 4.724 4.350 0.002 0.000 0.194 732 E C 0.194 176.778 176.600 -0.027 0.000 0.996 732 E CA 0.422 56.808 56.400 -0.024 0.000 0.869 732 E CB 0.285 29.968 29.700 -0.027 0.000 0.835 732 E HN 0.640 nan 8.360 nan 0.000 0.493 733 M N 0.109 119.693 119.600 -0.028 0.000 2.531 733 M HA 0.437 4.918 4.480 0.002 0.000 0.286 733 M C -1.776 174.510 176.300 -0.024 0.000 1.232 733 M CA -0.914 54.367 55.300 -0.031 0.000 0.877 733 M CB 2.071 34.646 32.600 -0.042 0.000 1.726 733 M HN -0.292 nan 8.290 nan 0.000 0.463 734 V N 4.191 124.092 119.914 -0.022 0.000 2.531 734 V HA 0.418 4.539 4.120 0.002 0.000 0.301 734 V C -0.641 175.443 176.094 -0.016 0.000 1.034 734 V CA -0.690 61.602 62.300 -0.015 0.000 0.865 734 V CB 1.886 33.705 31.823 -0.007 0.000 0.995 734 V HN 0.767 nan 8.190 nan 0.000 0.424 735 L N 4.141 125.356 121.223 -0.014 0.000 2.302 735 L HA 0.353 4.694 4.340 0.002 0.000 0.285 735 L C 1.680 178.548 176.870 -0.004 0.000 1.090 735 L CA -0.220 54.611 54.840 -0.014 0.000 0.866 735 L CB 0.985 43.037 42.059 -0.012 0.000 1.244 735 L HN 0.874 nan 8.230 nan 0.000 0.435 736 A N 1.652 124.472 122.820 -0.000 0.000 2.076 736 A HA -0.202 4.119 4.320 0.002 0.000 0.220 736 A C 1.868 179.456 177.584 0.007 0.000 1.160 736 A CA 1.574 53.616 52.037 0.008 0.000 0.653 736 A CB -0.179 18.833 19.000 0.021 0.000 0.801 736 A HN 0.713 nan 8.150 nan 0.000 0.455 737 D N -1.578 118.825 120.400 0.004 0.000 2.162 737 D HA -0.002 4.639 4.640 0.002 0.000 0.205 737 D C 0.171 176.477 176.300 0.009 0.000 0.964 737 D CA 1.198 55.202 54.000 0.007 0.000 0.847 737 D CB 0.021 40.823 40.800 0.003 0.000 0.988 737 D HN 0.360 nan 8.370 nan 0.000 0.480 738 D N -0.945 119.460 120.400 0.009 0.000 2.876 738 D HA -0.165 4.476 4.640 0.002 0.000 0.196 738 D C -0.136 176.183 176.300 0.032 0.000 1.014 738 D CA 0.456 54.465 54.000 0.016 0.000 1.012 738 D CB -1.283 39.525 40.800 0.014 0.000 1.080 738 D HN 0.150 nan 8.370 nan 0.000 0.438 739 N N 0.157 118.874 118.700 0.030 0.000 2.458 739 N HA 0.164 4.905 4.740 0.002 0.000 0.270 739 N C 0.649 176.206 175.510 0.078 0.000 1.102 739 N CA -0.195 52.889 53.050 0.056 0.000 0.967 739 N CB 0.288 38.798 38.487 0.038 0.000 1.078 739 N HN 0.053 nan 8.380 nan 0.000 0.471 740 F N 3.392 123.327 119.950 -0.024 0.000 2.202 740 F HA -0.179 4.349 4.527 0.002 0.000 0.301 740 F C 1.867 177.651 175.800 -0.026 0.000 1.082 740 F CA 1.387 59.372 58.000 -0.026 0.000 1.313 740 F CB 0.017 38.999 39.000 -0.030 0.000 1.024 740 F HN 0.479 nan 8.300 nan 0.000 0.495 741 S N -0.593 115.167 115.700 0.100 0.000 2.423 741 S HA -0.158 4.313 4.470 0.002 0.000 0.231 741 S C 1.866 176.400 174.600 -0.111 0.000 1.014 741 S CA 1.541 59.740 58.200 -0.000 0.000 0.965 741 S CB -0.503 62.736 63.200 0.064 0.000 0.785 741 S HN 0.488 nan 8.310 nan 0.000 0.495 742 T N 2.227 116.722 114.554 -0.098 0.000 2.951 742 T HA 0.159 4.510 4.350 0.002 0.000 0.268 742 T C 1.641 176.246 174.700 -0.159 0.000 1.073 742 T CA 0.626 62.666 62.100 -0.099 0.000 1.134 742 T CB -0.223 68.609 68.868 -0.059 0.000 0.884 742 T HN 0.351 nan 8.240 nan 0.000 0.479 743 I N 0.709 121.127 120.570 -0.254 0.000 2.233 743 I HA -0.108 4.063 4.170 0.002 0.000 0.243 743 I C 2.382 178.316 176.117 -0.305 0.000 1.093 743 I CA 0.855 61.982 61.300 -0.289 0.000 1.380 743 I CB -0.408 37.351 38.000 -0.401 0.000 1.067 743 I HN 0.067 nan 8.210 nan 0.000 0.413 744 V N 1.191 120.857 119.914 -0.413 0.000 2.407 744 V HA -0.260 3.861 4.120 0.002 0.000 0.248 744 V C 2.703 178.699 176.094 -0.164 0.000 1.055 744 V CA 1.903 64.029 62.300 -0.291 0.000 1.049 744 V CB -0.998 30.661 31.823 -0.274 0.000 0.662 744 V HN 0.483 nan 8.190 nan 0.000 0.455 745 A N -0.003 122.731 122.820 -0.142 0.000 1.930 745 A HA -0.024 4.297 4.320 0.002 0.000 0.217 745 A C 2.421 179.949 177.584 -0.093 0.000 1.175 745 A CA 1.789 53.769 52.037 -0.095 0.000 0.627 745 A CB -0.636 18.318 19.000 -0.077 0.000 0.815 745 A HN 0.544 nan 8.150 nan 0.000 0.443 746 A N -0.478 122.276 122.820 -0.109 0.000 1.902 746 A HA 0.005 4.326 4.320 0.002 0.000 0.217 746 A C 2.179 179.710 177.584 -0.089 0.000 1.181 746 A CA 1.713 53.692 52.037 -0.097 0.000 0.623 746 A CB -0.876 18.063 19.000 -0.102 0.000 0.818 746 A HN 0.378 nan 8.150 nan 0.000 0.443 747 V N 0.039 119.892 119.914 -0.101 0.000 2.407 747 V HA -0.266 3.855 4.120 0.002 0.000 0.248 747 V C 2.483 178.536 176.094 -0.068 0.000 1.055 747 V CA 2.315 64.563 62.300 -0.086 0.000 1.049 747 V CB -0.674 31.091 31.823 -0.097 0.000 0.662 747 V HN 0.797 nan 8.190 nan 0.000 0.455 748 E N -0.204 119.956 120.200 -0.067 0.000 2.072 748 E HA -0.230 4.121 4.350 0.002 0.000 0.191 748 E C 2.286 178.861 176.600 -0.041 0.000 0.985 748 E CA 1.076 57.446 56.400 -0.050 0.000 0.801 748 E CB -0.026 29.646 29.700 -0.047 0.000 0.750 748 E HN 0.462 nan 8.360 nan 0.000 0.452 749 E N -0.039 120.131 120.200 -0.050 0.000 2.072 749 E HA -0.116 4.235 4.350 0.002 0.000 0.191 749 E C 2.015 178.592 176.600 -0.038 0.000 0.985 749 E CA 1.108 57.480 56.400 -0.047 0.000 0.801 749 E CB -0.586 29.077 29.700 -0.062 0.000 0.750 749 E HN 0.426 nan 8.360 nan 0.000 0.452 750 G N 0.866 109.641 108.800 -0.041 0.000 2.440 750 G HA2 -0.308 3.653 3.960 0.002 0.000 0.218 750 G HA3 -0.308 3.653 3.960 0.002 0.000 0.218 750 G C 1.798 176.700 174.900 0.003 0.000 1.154 750 G CA 0.970 46.054 45.100 -0.027 0.000 0.767 750 G HN 0.226 nan 8.290 nan 0.000 0.552 751 R N 0.403 120.898 120.500 -0.008 0.000 2.075 751 R HA 0.126 4.467 4.340 0.002 0.000 0.232 751 R C 3.059 179.392 176.300 0.054 0.000 1.126 751 R CA 1.135 57.245 56.100 0.016 0.000 0.963 751 R CB -0.389 29.903 30.300 -0.013 0.000 0.858 751 R HN 0.335 nan 8.270 nan 0.000 0.435 752 A N 1.078 123.908 122.820 0.016 0.000 1.908 752 A HA -0.188 4.133 4.320 0.002 0.000 0.218 752 A C 2.145 179.729 177.584 0.000 0.000 1.181 752 A CA 1.451 53.492 52.037 0.007 0.000 0.627 752 A CB -0.601 18.390 19.000 -0.016 0.000 0.818 752 A HN 0.222 nan 8.150 nan 0.000 0.445 753 I N -2.307 118.259 120.570 -0.007 0.000 2.226 753 I HA -0.278 3.894 4.170 0.002 0.000 0.245 753 I C 2.440 178.537 176.117 -0.032 0.000 1.100 753 I CA 1.763 63.039 61.300 -0.040 0.000 1.374 753 I CB -0.401 37.572 38.000 -0.044 0.000 1.057 753 I HN 0.514 nan 8.210 nan 0.000 0.413 754 Y N 1.979 122.236 120.300 -0.072 0.000 2.128 754 Y HA -0.329 4.222 4.550 0.002 0.000 0.284 754 Y C 2.333 178.205 175.900 -0.047 0.000 1.154 754 Y CA 2.094 60.156 58.100 -0.063 0.000 1.149 754 Y CB -0.418 38.011 38.460 -0.051 0.000 0.976 754 Y HN 0.176 nan 8.280 nan 0.000 0.505 755 N N 0.300 119.043 118.700 0.072 0.000 2.036 755 N HA -0.229 4.512 4.740 0.002 0.000 0.195 755 N C 1.391 176.869 175.510 -0.053 0.000 1.037 755 N CA 1.784 54.849 53.050 0.025 0.000 0.855 755 N CB -0.519 37.998 38.487 0.051 0.000 1.033 755 N HN 0.319 nan 8.380 nan 0.000 0.423 756 N N 0.283 118.944 118.700 -0.066 0.000 2.132 756 N HA -0.192 4.549 4.740 0.002 0.000 0.191 756 N C 1.602 177.058 175.510 -0.091 0.000 1.015 756 N CA 0.804 53.807 53.050 -0.079 0.000 0.864 756 N CB -0.290 38.122 38.487 -0.125 0.000 1.006 756 N HN 0.390 nan 8.380 nan 0.000 0.430 757 M N 0.424 119.911 119.600 -0.189 0.000 2.117 757 M HA -0.130 4.351 4.480 0.002 0.000 0.262 757 M C 1.349 177.584 176.300 -0.108 0.000 1.065 757 M CA 1.448 56.616 55.300 -0.220 0.000 1.114 757 M CB 0.126 32.489 32.600 -0.395 0.000 1.361 757 M HN -0.088 nan 8.290 nan 0.000 0.408 758 K N 0.211 120.503 120.400 -0.181 0.000 2.025 758 K HA -0.148 4.173 4.320 0.002 0.000 0.207 758 K C 1.916 178.536 176.600 0.033 0.000 1.049 758 K CA 1.418 57.657 56.287 -0.081 0.000 0.933 758 K CB -0.663 31.800 32.500 -0.062 0.000 0.714 758 K HN 0.373 nan 8.250 nan 0.000 0.438 759 Q N 0.081 119.906 119.800 0.041 0.000 2.084 759 Q HA -0.081 4.260 4.340 0.002 0.000 0.202 759 Q C 1.870 177.923 176.000 0.088 0.000 0.978 759 Q CA 1.183 57.025 55.803 0.064 0.000 0.844 759 Q CB -0.530 28.234 28.738 0.044 0.000 0.898 759 Q HN 0.334 nan 8.270 nan 0.000 0.426 760 F N 0.044 119.967 119.950 -0.044 0.000 2.134 760 F HA -0.157 4.371 4.527 0.002 0.000 0.299 760 F C 1.673 177.472 175.800 -0.000 0.000 1.097 760 F CA 1.230 59.216 58.000 -0.024 0.000 1.264 760 F CB -0.069 38.872 39.000 -0.099 0.000 1.001 760 F HN 0.034 nan 8.300 nan 0.000 0.479 761 I N -0.204 120.404 120.570 0.063 0.000 2.353 761 I HA -0.215 3.956 4.170 0.002 0.000 0.248 761 I C 2.691 178.695 176.117 -0.188 0.000 1.119 761 I CA 0.905 62.177 61.300 -0.046 0.000 1.417 761 I CB -0.539 37.478 38.000 0.030 0.000 1.078 761 I HN 0.096 nan 8.210 nan 0.000 0.421 762 R N 0.404 120.845 120.500 -0.098 0.000 2.070 762 R HA -0.248 4.093 4.340 0.002 0.000 0.233 762 R C 2.560 178.728 176.300 -0.220 0.000 1.137 762 R CA 2.102 58.105 56.100 -0.161 0.000 0.945 762 R CB -0.597 29.776 30.300 0.122 0.000 0.845 762 R HN 0.289 nan 8.270 nan 0.000 0.430 763 Y N 1.226 121.397 120.300 -0.216 0.000 2.081 763 Y HA -0.278 4.273 4.550 0.002 0.000 0.280 763 Y C 1.946 177.688 175.900 -0.264 0.000 1.163 763 Y CA 1.586 59.559 58.100 -0.212 0.000 1.135 763 Y CB -0.591 37.752 38.460 -0.195 0.000 0.970 763 Y HN 0.041 nan 8.280 nan 0.000 0.498 764 L N -0.227 120.625 121.223 -0.620 0.000 2.017 764 L HA -0.183 4.158 4.340 0.002 0.000 0.208 764 L C 2.346 178.928 176.870 -0.480 0.000 1.073 764 L CA 1.583 56.020 54.840 -0.671 0.000 0.745 764 L CB -1.156 40.578 42.059 -0.541 0.000 0.894 764 L HN 0.279 nan 8.230 nan 0.000 0.432 765 I N -1.065 119.253 120.570 -0.421 0.000 2.286 765 I HA -0.225 3.946 4.170 0.002 0.000 0.245 765 I C 2.662 178.536 176.117 -0.405 0.000 1.104 765 I CA 1.470 62.539 61.300 -0.386 0.000 1.397 765 I CB -0.717 36.999 38.000 -0.473 0.000 1.072 765 I HN 0.329 nan 8.210 nan 0.000 0.417 766 S N -0.492 114.924 115.700 -0.473 0.000 2.356 766 S HA -0.182 4.289 4.470 0.002 0.000 0.223 766 S C 2.172 176.636 174.600 -0.227 0.000 1.032 766 S CA 1.554 59.581 58.200 -0.287 0.000 1.005 766 S CB -0.964 62.128 63.200 -0.179 0.000 0.867 766 S HN 0.377 nan 8.310 nan 0.000 0.449 767 S N 3.300 118.822 115.700 -0.296 0.000 2.351 767 S HA -0.084 4.387 4.470 0.002 0.000 0.220 767 S C 1.852 176.316 174.600 -0.227 0.000 1.035 767 S CA 1.476 59.511 58.200 -0.275 0.000 1.031 767 S CB -0.812 62.106 63.200 -0.471 0.000 0.928 767 S HN 0.581 nan 8.310 nan 0.000 0.433 768 N N 1.088 119.631 118.700 -0.262 0.000 2.364 768 N HA -0.010 4.731 4.740 0.002 0.000 0.183 768 N C 1.547 176.985 175.510 -0.120 0.000 1.022 768 N CA 0.421 53.364 53.050 -0.179 0.000 0.883 768 N CB -0.630 37.750 38.487 -0.179 0.000 0.965 768 N HN 0.177 nan 8.380 nan 0.000 0.438 769 V N 0.517 120.353 119.914 -0.130 0.000 2.295 769 V HA -0.146 3.975 4.120 0.002 0.000 0.246 769 V C 2.359 178.411 176.094 -0.069 0.000 1.049 769 V CA 2.094 64.342 62.300 -0.088 0.000 1.024 769 V CB -1.117 30.646 31.823 -0.100 0.000 0.648 769 V HN 0.349 nan 8.190 nan 0.000 0.447 770 G N -0.877 107.874 108.800 -0.082 0.000 2.418 770 G HA2 -0.254 3.707 3.960 0.002 0.000 0.217 770 G HA3 -0.254 3.707 3.960 0.002 0.000 0.217 770 G C 1.425 176.299 174.900 -0.044 0.000 1.158 770 G CA 0.912 45.974 45.100 -0.064 0.000 0.771 770 G HN 0.566 nan 8.290 nan 0.000 0.545 771 E N -0.200 119.967 120.200 -0.054 0.000 2.097 771 E HA -0.137 4.214 4.350 0.002 0.000 0.196 771 E C 2.717 179.325 176.600 0.014 0.000 1.000 771 E CA 1.219 57.599 56.400 -0.034 0.000 0.804 771 E CB -0.128 29.539 29.700 -0.055 0.000 0.740 771 E HN 0.343 nan 8.360 nan 0.000 0.454 772 V N 0.992 120.923 119.914 0.029 0.000 2.307 772 V HA -0.229 3.892 4.120 0.002 0.000 0.245 772 V C 2.543 178.759 176.094 0.204 0.000 1.045 772 V CA 1.706 64.074 62.300 0.113 0.000 1.024 772 V CB -0.569 31.299 31.823 0.075 0.000 0.651 772 V HN 0.290 nan 8.190 nan 0.000 0.449 773 V N -1.161 118.811 119.914 0.098 0.000 2.407 773 V HA -0.298 3.823 4.120 0.002 0.000 0.248 773 V C 2.466 178.649 176.094 0.149 0.000 1.055 773 V CA 1.991 64.357 62.300 0.111 0.000 1.049 773 V CB -1.759 30.074 31.823 0.017 0.000 0.662 773 V HN 0.630 nan 8.190 nan 0.000 0.455 774 C N 0.725 120.070 119.300 0.076 0.000 2.376 774 C HA -0.210 4.251 4.460 0.002 0.000 0.275 774 C C 2.624 177.653 174.990 0.066 0.000 1.200 774 C CA 1.694 60.738 59.018 0.044 0.000 1.756 774 C CB -1.238 26.502 27.740 0.001 0.000 2.050 774 C HN 0.593 nan 8.230 nan 0.000 0.460 775 I N -0.041 120.575 120.570 0.077 0.000 2.361 775 I HA -0.096 4.075 4.170 0.002 0.000 0.251 775 I C 2.303 178.395 176.117 -0.041 0.000 1.133 775 I CA 1.815 63.118 61.300 0.006 0.000 1.413 775 I CB -1.530 36.449 38.000 -0.035 0.000 1.073 775 I HN 0.324 nan 8.210 nan 0.000 0.424 776 F N 0.169 120.125 119.950 0.010 0.000 2.335 776 F HA -0.022 4.506 4.527 0.002 0.000 0.296 776 F C 2.376 178.187 175.800 0.018 0.000 1.091 776 F CA 0.538 58.545 58.000 0.013 0.000 1.399 776 F CB -0.383 38.625 39.000 0.013 0.000 1.067 776 F HN -0.096 nan 8.300 nan 0.000 0.520 777 L N 0.034 121.370 121.223 0.189 0.000 2.191 777 L HA -0.207 4.134 4.340 0.002 0.000 0.212 777 L C 2.485 179.410 176.870 0.093 0.000 1.103 777 L CA 1.843 56.755 54.840 0.119 0.000 0.769 777 L CB -0.420 41.685 42.059 0.077 0.000 0.908 777 L HN 0.332 nan 8.230 nan 0.000 0.438 778 T N -4.734 109.863 114.554 0.072 0.000 3.044 778 T HA 0.137 4.488 4.350 0.002 0.000 0.255 778 T C 1.748 176.483 174.700 0.058 0.000 1.073 778 T CA 0.476 62.617 62.100 0.068 0.000 1.125 778 T CB 0.014 68.915 68.868 0.056 0.000 0.908 778 T HN 0.261 nan 8.240 nan 0.000 0.480 779 A N 1.842 124.669 122.820 0.012 0.000 1.872 779 A HA 0.504 4.826 4.320 0.002 0.000 0.214 779 A C 2.782 180.386 177.584 0.033 0.000 1.187 779 A CA 1.518 53.530 52.037 -0.042 0.000 0.614 779 A CB -1.391 17.492 19.000 -0.194 0.000 0.826 779 A HN 0.691 nan 8.150 nan 0.000 0.442 780 A N -0.116 122.757 122.820 0.087 0.000 1.858 780 A HA -0.044 4.277 4.320 0.002 0.000 0.216 780 A C 2.214 179.858 177.584 0.100 0.000 1.190 780 A CA 1.538 53.643 52.037 0.113 0.000 0.617 780 A CB -0.700 18.387 19.000 0.145 0.000 0.827 780 A HN 0.454 nan 8.150 nan 0.000 0.443 781 L N -2.010 119.272 121.223 0.097 0.000 1.948 781 L HA 0.016 4.358 4.340 0.002 0.000 0.212 781 L C 2.117 179.049 176.870 0.104 0.000 1.074 781 L CA 1.681 56.576 54.840 0.092 0.000 0.753 781 L CB -0.425 41.688 42.059 0.091 0.000 0.888 781 L HN 0.636 nan 8.230 nan 0.000 0.432 782 G N -2.109 106.766 108.800 0.124 0.000 2.559 782 G HA2 -0.104 3.857 3.960 0.002 0.000 0.202 782 G HA3 -0.104 3.857 3.960 0.002 0.000 0.202 782 G C 0.109 175.128 174.900 0.200 0.000 0.992 782 G CA -0.524 44.677 45.100 0.169 0.000 0.764 782 G HN 0.072 nan 8.290 nan 0.000 0.525 783 L N 1.251 122.578 121.223 0.175 0.000 2.483 783 L HA 0.292 4.633 4.340 0.002 0.000 0.277 783 L C -1.677 175.318 176.870 0.208 0.000 1.248 783 L CA -1.218 53.748 54.840 0.210 0.000 0.825 783 L CB 0.111 42.273 42.059 0.172 0.000 1.096 783 L HN -0.063 nan 8.230 nan 0.000 0.512 784 P HA 0.067 nan 4.420 nan 0.000 0.276 784 P C -1.094 176.259 177.300 0.088 0.000 1.235 784 P CA -0.343 62.858 63.100 0.168 0.000 0.772 784 P CB 0.389 32.200 31.700 0.185 0.000 0.871 785 E N 2.007 122.256 120.200 0.082 0.000 2.529 785 E HA 0.043 4.395 4.350 0.002 0.000 0.259 785 E C 0.439 177.046 176.600 0.011 0.000 0.966 785 E CA 0.148 56.587 56.400 0.066 0.000 0.937 785 E CB 0.275 30.052 29.700 0.128 0.000 0.923 785 E HN 0.418 nan 8.360 nan 0.000 0.468 786 A N 4.617 127.437 122.820 0.000 0.000 2.430 786 A HA 0.254 4.575 4.320 0.002 0.000 0.243 786 A C 0.152 177.725 177.584 -0.020 0.000 1.254 786 A CA -0.106 51.908 52.037 -0.038 0.000 0.914 786 A CB 0.287 19.253 19.000 -0.057 0.000 0.998 786 A HN 0.482 nan 8.150 nan 0.000 0.515 787 L N 0.958 122.191 121.223 0.016 0.000 2.526 787 L HA 0.505 4.846 4.340 0.002 0.000 0.263 787 L C -0.850 176.057 176.870 0.062 0.000 0.943 787 L CA -0.693 54.167 54.840 0.033 0.000 0.859 787 L CB 2.285 44.360 42.059 0.026 0.000 1.313 787 L HN 0.397 nan 8.230 nan 0.000 0.406 788 I N -0.318 120.298 120.570 0.078 0.000 2.707 788 I HA 0.556 4.727 4.170 0.002 0.000 0.309 788 I C -2.020 174.126 176.117 0.048 0.000 1.001 788 I CA -2.206 59.156 61.300 0.102 0.000 1.129 788 I CB 1.551 39.637 38.000 0.143 0.000 1.308 788 I HN 0.298 nan 8.210 nan 0.000 0.466 789 P HA -0.295 nan 4.420 nan 0.000 0.216 789 P C 1.847 179.168 177.300 0.036 0.000 1.151 789 P CA 2.646 65.720 63.100 -0.042 0.000 0.953 789 P CB -0.255 31.390 31.700 -0.092 0.000 0.789 790 V N -2.609 117.332 119.914 0.044 0.000 2.546 790 V HA -0.323 3.798 4.120 0.002 0.000 0.254 790 V C 2.153 178.452 176.094 0.342 0.000 1.076 790 V CA 1.957 64.319 62.300 0.104 0.000 1.087 790 V CB -1.796 29.945 31.823 -0.136 0.000 0.674 790 V HN 0.157 nan 8.190 nan 0.000 0.470 791 Q N -0.081 119.887 119.800 0.280 0.000 2.083 791 Q HA 0.025 4.366 4.340 0.002 0.000 0.198 791 Q C 2.358 178.512 176.000 0.257 0.000 0.969 791 Q CA 1.851 57.844 55.803 0.316 0.000 0.838 791 Q CB -0.228 28.622 28.738 0.186 0.000 0.900 791 Q HN 0.639 nan 8.270 nan 0.000 0.436 792 L N 0.328 121.639 121.223 0.148 0.000 2.017 792 L HA -0.220 4.122 4.340 0.002 0.000 0.208 792 L C 2.281 179.208 176.870 0.095 0.000 1.073 792 L CA 1.068 55.958 54.840 0.083 0.000 0.745 792 L CB -0.445 41.627 42.059 0.021 0.000 0.894 792 L HN 0.300 nan 8.230 nan 0.000 0.432 793 L N -1.329 119.971 121.223 0.129 0.000 2.131 793 L HA -0.279 4.062 4.340 0.002 0.000 0.210 793 L C 2.456 179.434 176.870 0.180 0.000 1.092 793 L CA 1.355 56.271 54.840 0.126 0.000 0.759 793 L CB -0.615 41.529 42.059 0.142 0.000 0.903 793 L HN 0.556 nan 8.230 nan 0.000 0.435 794 W N 0.427 121.796 121.300 0.115 0.000 2.381 794 W HA -0.157 4.504 4.660 0.002 0.000 0.301 794 W C 2.108 178.627 176.519 0.000 0.000 1.205 794 W CA 1.393 58.773 57.345 0.059 0.000 1.285 794 W CB -0.007 29.444 29.460 -0.015 0.000 1.133 794 W HN -0.074 nan 8.180 nan 0.000 0.521 795 V N 1.581 121.494 119.914 -0.001 0.000 2.261 795 V HA -0.375 3.746 4.120 0.002 0.000 0.246 795 V C 2.241 178.222 176.094 -0.188 0.000 1.047 795 V CA 2.469 64.693 62.300 -0.127 0.000 1.015 795 V CB -1.390 30.412 31.823 -0.036 0.000 0.642 795 V HN 0.207 nan 8.190 nan 0.000 0.446 796 N N 0.406 119.037 118.700 -0.114 0.000 2.011 796 N HA -0.239 4.503 4.740 0.002 0.000 0.199 796 N C 1.716 177.139 175.510 -0.145 0.000 1.047 796 N CA 2.267 55.254 53.050 -0.107 0.000 0.863 796 N CB -0.495 37.955 38.487 -0.061 0.000 1.056 796 N HN 0.358 nan 8.380 nan 0.000 0.427 797 L N 0.034 121.146 121.223 -0.185 0.000 2.043 797 L HA -0.102 4.239 4.340 0.002 0.000 0.212 797 L C 1.888 178.577 176.870 -0.302 0.000 1.075 797 L CA 1.581 56.288 54.840 -0.222 0.000 0.752 797 L CB -0.560 41.342 42.059 -0.262 0.000 0.891 797 L HN 0.175 nan 8.230 nan 0.000 0.432 798 V N -0.944 118.682 119.914 -0.479 0.000 2.788 798 V HA -0.119 4.003 4.120 0.002 0.000 0.251 798 V C 2.356 178.331 176.094 -0.199 0.000 1.068 798 V CA 1.681 63.723 62.300 -0.431 0.000 1.090 798 V CB -1.064 30.368 31.823 -0.651 0.000 0.710 798 V HN 0.754 nan 8.190 nan 0.000 0.467 799 T N -3.864 110.602 114.554 -0.147 0.000 3.000 799 T HA 0.052 4.403 4.350 0.002 0.000 0.248 799 T C 1.068 175.789 174.700 0.036 0.000 1.034 799 T CA 0.425 62.513 62.100 -0.020 0.000 1.060 799 T CB 0.011 68.847 68.868 -0.053 0.000 0.983 799 T HN 0.311 nan 8.240 nan 0.000 0.482 800 D N 1.456 121.834 120.400 -0.036 0.000 2.340 800 D HA 0.354 4.995 4.640 0.002 0.000 0.217 800 D C 1.373 177.703 176.300 0.049 0.000 1.081 800 D CA 0.149 54.137 54.000 -0.019 0.000 0.842 800 D CB 0.305 41.070 40.800 -0.059 0.000 0.934 800 D HN 0.582 nan 8.370 nan 0.000 0.511 801 G N 0.101 108.934 108.800 0.055 0.000 3.387 801 G HA2 0.103 4.064 3.960 0.002 0.000 0.195 801 G HA3 0.103 4.064 3.960 0.002 0.000 0.195 801 G C 1.138 176.128 174.900 0.150 0.000 1.853 801 G CA -0.275 44.880 45.100 0.092 0.000 0.879 801 G HN 0.002 nan 8.290 nan 0.000 0.651 802 L N 1.613 122.927 121.223 0.152 0.000 2.043 802 L HA -0.057 4.284 4.340 0.002 0.000 0.212 802 L C 0.348 177.332 176.870 0.191 0.000 1.075 802 L CA 1.967 56.936 54.840 0.215 0.000 0.752 802 L CB -2.448 39.725 42.059 0.190 0.000 0.891 802 L HN 0.198 nan 8.230 nan 0.000 0.432 803 P HA -0.151 nan 4.420 nan 0.000 0.215 803 P C 1.752 179.068 177.300 0.026 0.000 1.157 803 P CA 2.041 65.169 63.100 0.046 0.000 0.874 803 P CB 0.010 31.704 31.700 -0.010 0.000 0.790 804 A N -1.002 121.897 122.820 0.132 0.000 1.902 804 A HA -0.186 4.135 4.320 0.002 0.000 0.217 804 A C 2.202 179.957 177.584 0.284 0.000 1.181 804 A CA 2.457 54.600 52.037 0.176 0.000 0.623 804 A CB -1.919 17.184 19.000 0.172 0.000 0.818 804 A HN 0.176 nan 8.150 nan 0.000 0.443 805 T N 0.588 115.301 114.554 0.265 0.000 2.720 805 T HA -0.075 4.276 4.350 0.002 0.000 0.268 805 T C 2.176 176.900 174.700 0.040 0.000 1.037 805 T CA 1.599 63.798 62.100 0.166 0.000 1.144 805 T CB -0.517 68.475 68.868 0.206 0.000 0.864 805 T HN 0.619 nan 8.240 nan 0.000 0.444 806 A N 1.544 124.489 122.820 0.208 0.000 1.940 806 A HA -0.050 4.271 4.320 0.002 0.000 0.219 806 A C 2.119 179.773 177.584 0.117 0.000 1.176 806 A CA 1.202 53.432 52.037 0.322 0.000 0.631 806 A CB -0.819 18.379 19.000 0.331 0.000 0.814 806 A HN 0.350 nan 8.150 nan 0.000 0.446 807 L N 0.037 121.286 121.223 0.042 0.000 2.187 807 L HA -0.122 4.219 4.340 0.002 0.000 0.213 807 L C 2.608 179.419 176.870 -0.098 0.000 1.100 807 L CA 1.526 56.371 54.840 0.007 0.000 0.765 807 L CB -1.495 40.595 42.059 0.052 0.000 0.904 807 L HN 0.422 nan 8.230 nan 0.000 0.437 808 G N -1.549 107.072 108.800 -0.298 0.000 2.448 808 G HA2 -0.265 3.696 3.960 0.002 0.000 0.219 808 G HA3 -0.265 3.696 3.960 0.002 0.000 0.219 808 G C 0.988 175.503 174.900 -0.643 0.000 1.127 808 G CA 0.253 45.003 45.100 -0.583 0.000 0.766 808 G HN 0.378 nan 8.290 nan 0.000 0.552 809 F N 1.098 120.955 119.950 -0.155 0.000 2.660 809 F HA 0.338 4.866 4.527 0.002 0.000 0.297 809 F C 0.696 176.423 175.800 -0.123 0.000 1.132 809 F CA -1.464 56.406 58.000 -0.218 0.000 1.372 809 F CB -0.502 38.253 39.000 -0.408 0.000 1.003 809 F HN -0.127 nan 8.300 nan 0.000 0.524 810 N N 2.272 120.978 118.700 0.009 0.000 2.492 810 N HA 0.109 4.850 4.740 0.002 0.000 0.260 810 N C -2.209 173.307 175.510 0.011 0.000 1.215 810 N CA -1.080 51.982 53.050 0.019 0.000 0.923 810 N CB 0.458 38.942 38.487 -0.004 0.000 1.092 810 N HN -0.005 nan 8.380 nan 0.000 0.448 811 P HA 0.231 nan 4.420 nan 0.000 0.273 811 P C -2.408 174.892 177.300 -0.000 0.000 1.250 811 P CA -0.792 62.315 63.100 0.013 0.000 0.793 811 P CB -0.128 31.584 31.700 0.019 0.000 1.011 812 P HA 0.068 nan 4.420 nan 0.000 0.271 812 P C -0.030 177.269 177.300 -0.003 0.000 1.216 812 P CA 0.344 63.441 63.100 -0.005 0.000 0.771 812 P CB 0.257 31.953 31.700 -0.008 0.000 0.864 813 D N 1.058 121.458 120.400 0.000 0.000 2.325 813 D HA -0.050 4.591 4.640 0.002 0.000 0.237 813 D C 1.097 177.396 176.300 -0.002 0.000 1.328 813 D CA 0.257 54.258 54.000 0.001 0.000 0.918 813 D CB 0.751 41.556 40.800 0.010 0.000 1.156 813 D HN 0.173 nan 8.370 nan 0.000 0.485 814 L N 0.378 121.599 121.223 -0.003 0.000 2.253 814 L HA -0.044 4.298 4.340 0.002 0.000 0.205 814 L C 1.413 178.280 176.870 -0.005 0.000 1.078 814 L CA 0.912 55.749 54.840 -0.005 0.000 0.805 814 L CB -0.062 41.992 42.059 -0.007 0.000 0.963 814 L HN 0.409 nan 8.230 nan 0.000 0.459 815 D N -0.833 119.565 120.400 -0.004 0.000 2.460 815 D HA -0.055 4.587 4.640 0.002 0.000 0.229 815 D C 1.865 178.162 176.300 -0.005 0.000 1.170 815 D CA 0.007 54.003 54.000 -0.007 0.000 0.827 815 D CB -0.293 40.502 40.800 -0.009 0.000 0.973 815 D HN 0.355 nan 8.370 nan 0.000 0.496 816 I N -0.240 120.328 120.570 -0.003 0.000 2.208 816 I HA -0.216 3.955 4.170 0.002 0.000 0.245 816 I C 1.167 177.277 176.117 -0.010 0.000 1.097 816 I CA 1.073 62.371 61.300 -0.003 0.000 1.363 816 I CB 0.206 38.204 38.000 -0.003 0.000 1.051 816 I HN -0.064 nan 8.210 nan 0.000 0.413 817 M N -0.350 119.243 119.600 -0.012 0.000 2.475 817 M HA 0.121 4.603 4.480 0.002 0.000 0.261 817 M C 0.118 176.409 176.300 -0.015 0.000 1.177 817 M CA 0.628 55.919 55.300 -0.016 0.000 0.979 817 M CB -0.652 31.939 32.600 -0.015 0.000 1.482 817 M HN 0.107 nan 8.290 nan 0.000 0.484 818 D N 0.129 120.519 120.400 -0.015 0.000 2.433 818 D HA 0.154 4.795 4.640 0.002 0.000 0.211 818 D C 0.142 176.428 176.300 -0.024 0.000 1.114 818 D CA 0.170 54.159 54.000 -0.018 0.000 0.837 818 D CB 0.881 41.670 40.800 -0.018 0.000 0.984 818 D HN 0.199 nan 8.370 nan 0.000 0.505 819 R N 1.252 121.738 120.500 -0.023 0.000 2.664 819 R HA 0.450 4.791 4.340 0.002 0.000 0.286 819 R C -2.446 173.835 176.300 -0.031 0.000 0.967 819 R CA -1.809 54.275 56.100 -0.028 0.000 0.933 819 R CB 1.187 31.475 30.300 -0.021 0.000 1.146 819 R HN -0.036 nan 8.270 nan 0.000 0.468 820 P HA 0.108 nan 4.420 nan 0.000 0.273 820 P C -2.472 174.802 177.300 -0.044 0.000 1.250 820 P CA -1.193 61.885 63.100 -0.037 0.000 0.793 820 P CB -0.137 31.540 31.700 -0.037 0.000 1.011 821 P HA 0.180 nan 4.420 nan 0.000 0.271 821 P C 0.063 177.316 177.300 -0.078 0.000 1.216 821 P CA -0.101 62.962 63.100 -0.063 0.000 0.776 821 P CB 0.671 32.339 31.700 -0.054 0.000 0.881 822 R N 1.700 122.129 120.500 -0.117 0.000 2.643 822 R HA 0.212 4.553 4.340 0.002 0.000 0.270 822 R C 0.078 176.301 176.300 -0.129 0.000 1.061 822 R CA -0.122 55.888 56.100 -0.151 0.000 1.107 822 R CB 0.220 30.350 30.300 -0.283 0.000 0.999 822 R HN 0.456 nan 8.270 nan 0.000 0.460 823 S N 3.818 119.457 115.700 -0.103 0.000 2.457 823 S HA 0.307 4.778 4.470 0.002 0.000 0.289 823 S C -1.812 172.739 174.600 -0.082 0.000 1.163 823 S CA -1.823 56.333 58.200 -0.074 0.000 1.078 823 S CB 1.528 64.702 63.200 -0.044 0.000 0.987 823 S HN 0.562 nan 8.310 nan 0.000 0.482 824 P HA -0.048 nan 4.420 nan 0.000 0.223 824 P C 1.079 178.360 177.300 -0.033 0.000 1.144 824 P CA 0.753 63.817 63.100 -0.061 0.000 0.783 824 P CB 0.227 31.899 31.700 -0.045 0.000 0.771 825 K N -0.505 119.879 120.400 -0.026 0.000 2.076 825 K HA 0.016 4.337 4.320 0.002 0.000 0.204 825 K C 0.712 177.308 176.600 -0.007 0.000 1.051 825 K CA 0.721 57.001 56.287 -0.012 0.000 0.949 825 K CB -0.540 31.955 32.500 -0.009 0.000 0.726 825 K HN 0.222 nan 8.250 nan 0.000 0.443 826 E N 2.226 122.417 120.200 -0.014 0.000 2.508 826 E HA -0.037 4.314 4.350 0.002 0.000 0.266 826 E C -2.093 174.513 176.600 0.010 0.000 1.010 826 E CA -1.291 55.106 56.400 -0.004 0.000 0.955 826 E CB -0.400 29.293 29.700 -0.011 0.000 0.946 826 E HN 0.174 nan 8.360 nan 0.000 0.454 827 P HA -0.032 nan 4.420 nan 0.000 0.272 827 P C 0.912 178.231 177.300 0.031 0.000 1.230 827 P CA -0.371 62.743 63.100 0.023 0.000 0.788 827 P CB 0.801 32.512 31.700 0.018 0.000 0.949 828 L N 2.478 123.710 121.223 0.014 0.000 2.012 828 L HA -0.016 4.325 4.340 0.002 0.000 0.210 828 L C 0.979 177.837 176.870 -0.019 0.000 1.073 828 L CA 1.858 56.692 54.840 -0.009 0.000 0.748 828 L CB -0.459 41.519 42.059 -0.136 0.000 0.891 828 L HN 0.303 nan 8.230 nan 0.000 0.431 829 I N 0.097 120.648 120.570 -0.032 0.000 2.382 829 I HA 0.223 4.394 4.170 0.002 0.000 0.286 829 I C 0.132 176.255 176.117 0.009 0.000 1.002 829 I CA -0.594 60.699 61.300 -0.013 0.000 1.135 829 I CB 1.419 39.430 38.000 0.018 0.000 1.288 829 I HN 0.100 nan 8.210 nan 0.000 0.448 830 S N 3.703 119.419 115.700 0.026 0.000 2.592 830 S HA 0.272 4.744 4.470 0.002 0.000 0.271 830 S C 1.386 176.041 174.600 0.091 0.000 1.326 830 S CA -0.126 58.114 58.200 0.067 0.000 1.024 830 S CB 1.607 64.874 63.200 0.112 0.000 0.921 830 S HN 0.825 nan 8.310 nan 0.000 0.527 831 G N 1.158 110.033 108.800 0.125 0.000 2.469 831 G HA2 -0.244 3.717 3.960 0.002 0.000 0.220 831 G HA3 -0.244 3.717 3.960 0.002 0.000 0.220 831 G C 1.133 176.185 174.900 0.253 0.000 1.136 831 G CA 0.791 45.999 45.100 0.180 0.000 0.759 831 G HN 0.929 nan 8.290 nan 0.000 0.562 832 W N 0.311 121.653 121.300 0.070 0.000 2.425 832 W HA 0.017 4.678 4.660 0.002 0.000 0.277 832 W C 1.759 178.326 176.519 0.079 0.000 1.231 832 W CA 0.467 57.871 57.345 0.098 0.000 1.248 832 W CB -0.117 29.374 29.460 0.052 0.000 1.117 832 W HN 0.188 nan 8.180 nan 0.000 0.568 833 L N 0.444 121.580 121.223 -0.145 0.000 2.044 833 L HA -0.104 4.237 4.340 0.002 0.000 0.205 833 L C 2.485 178.892 176.870 -0.772 0.000 1.075 833 L CA 1.740 56.280 54.840 -0.501 0.000 0.747 833 L CB -1.687 40.155 42.059 -0.362 0.000 0.903 833 L HN -0.046 nan 8.230 nan 0.000 0.435 834 F N -0.888 118.732 119.950 -0.551 0.000 2.202 834 F HA -0.299 4.229 4.527 0.002 0.000 0.301 834 F C 2.275 177.957 175.800 -0.197 0.000 1.082 834 F CA 1.387 59.163 58.000 -0.373 0.000 1.313 834 F CB -0.475 38.476 39.000 -0.081 0.000 1.024 834 F HN 0.189 nan 8.300 nan 0.000 0.495 835 F N 1.141 120.886 119.950 -0.341 0.000 2.163 835 F HA -0.070 4.458 4.527 0.002 0.000 0.297 835 F C 2.557 178.075 175.800 -0.470 0.000 1.094 835 F CA 1.741 59.519 58.000 -0.370 0.000 1.290 835 F CB -0.653 38.218 39.000 -0.213 0.000 1.017 835 F HN -0.072 nan 8.300 nan 0.000 0.483 836 R N -0.968 119.094 120.500 -0.731 0.000 2.193 836 R HA -0.176 4.165 4.340 0.002 0.000 0.229 836 R C 1.808 177.890 176.300 -0.363 0.000 1.110 836 R CA 1.603 57.283 56.100 -0.701 0.000 0.988 836 R CB -0.628 29.274 30.300 -0.664 0.000 0.871 836 R HN 0.323 nan 8.270 nan 0.000 0.458 837 Y N -0.560 119.478 120.300 -0.436 0.000 2.177 837 Y HA 0.014 4.566 4.550 0.002 0.000 0.291 837 Y C 1.911 177.558 175.900 -0.422 0.000 1.117 837 Y CA 0.678 58.572 58.100 -0.344 0.000 1.114 837 Y CB -0.480 37.833 38.460 -0.245 0.000 1.017 837 Y HN -0.007 nan 8.280 nan 0.000 0.505 838 M N -0.397 118.939 119.600 -0.440 0.000 2.706 838 M HA -0.020 4.461 4.480 0.002 0.000 0.251 838 M C 1.827 177.893 176.300 -0.389 0.000 1.070 838 M CA 0.923 55.959 55.300 -0.440 0.000 1.073 838 M CB -1.542 30.709 32.600 -0.582 0.000 1.449 838 M HN 0.287 nan 8.290 nan 0.000 0.531 839 A N -0.216 122.306 122.820 -0.497 0.000 1.942 839 A HA 0.105 4.426 4.320 0.002 0.000 0.209 839 A C 2.004 179.449 177.584 -0.232 0.000 1.214 839 A CA 0.191 51.949 52.037 -0.465 0.000 0.686 839 A CB 0.048 18.561 19.000 -0.813 0.000 0.871 839 A HN 0.272 nan 8.150 nan 0.000 0.460 840 I N 0.466 120.916 120.570 -0.200 0.000 2.315 840 I HA -0.126 4.045 4.170 0.002 0.000 0.248 840 I C 2.556 178.660 176.117 -0.021 0.000 1.117 840 I CA 1.602 62.855 61.300 -0.080 0.000 1.404 840 I CB -1.799 36.160 38.000 -0.068 0.000 1.071 840 I HN 0.338 nan 8.210 nan 0.000 0.419 841 G N 0.754 109.506 108.800 -0.079 0.000 2.404 841 G HA2 -0.135 3.826 3.960 0.002 0.000 0.214 841 G HA3 -0.135 3.826 3.960 0.002 0.000 0.214 841 G C 1.772 176.643 174.900 -0.048 0.000 1.189 841 G CA 0.715 45.771 45.100 -0.072 0.000 0.789 841 G HN 0.429 nan 8.290 nan 0.000 0.533 842 G N -0.118 108.644 108.800 -0.063 0.000 2.550 842 G HA2 -0.352 3.609 3.960 0.002 0.000 0.222 842 G HA3 -0.352 3.609 3.960 0.002 0.000 0.222 842 G C 1.594 176.502 174.900 0.014 0.000 1.113 842 G CA 1.427 46.506 45.100 -0.035 0.000 0.748 842 G HN 0.453 nan 8.290 nan 0.000 0.585 843 Y N 1.566 121.819 120.300 -0.078 0.000 2.138 843 Y HA -0.078 4.473 4.550 0.002 0.000 0.286 843 Y C 2.958 178.831 175.900 -0.045 0.000 1.115 843 Y CA 1.938 60.005 58.100 -0.055 0.000 1.105 843 Y CB -0.752 37.671 38.460 -0.061 0.000 1.004 843 Y HN 0.139 nan 8.280 nan 0.000 0.494 844 V N -0.560 119.280 119.914 -0.125 0.000 2.439 844 V HA -0.219 3.902 4.120 0.002 0.000 0.253 844 V C 2.255 178.231 176.094 -0.197 0.000 1.074 844 V CA 2.191 64.371 62.300 -0.200 0.000 1.076 844 V CB -1.917 29.868 31.823 -0.064 0.000 0.664 844 V HN 0.492 nan 8.190 nan 0.000 0.461 845 G N -0.182 108.540 108.800 -0.131 0.000 2.418 845 G HA2 -0.081 3.880 3.960 0.002 0.000 0.217 845 G HA3 -0.081 3.880 3.960 0.002 0.000 0.217 845 G C 1.692 176.532 174.900 -0.100 0.000 1.158 845 G CA 1.277 46.326 45.100 -0.086 0.000 0.771 845 G HN 0.935 nan 8.290 nan 0.000 0.545 846 A N 0.977 123.712 122.820 -0.143 0.000 1.903 846 A HA 0.501 4.822 4.320 0.002 0.000 0.213 846 A C 2.691 180.151 177.584 -0.205 0.000 1.185 846 A CA 1.615 53.577 52.037 -0.126 0.000 0.628 846 A CB -0.671 18.276 19.000 -0.089 0.000 0.830 846 A HN 0.797 nan 8.150 nan 0.000 0.446 847 A N -0.914 121.651 122.820 -0.424 0.000 2.234 847 A HA -0.008 4.313 4.320 0.002 0.000 0.216 847 A C 1.979 179.416 177.584 -0.246 0.000 1.167 847 A CA 2.097 53.858 52.037 -0.459 0.000 0.698 847 A CB -0.708 17.777 19.000 -0.858 0.000 0.779 847 A HN 0.436 nan 8.150 nan 0.000 0.475 848 T N -1.246 113.200 114.554 -0.180 0.000 3.053 848 T HA 0.007 4.358 4.350 0.002 0.000 0.236 848 T C 1.964 176.622 174.700 -0.070 0.000 0.996 848 T CA 1.122 63.152 62.100 -0.116 0.000 1.185 848 T CB -0.501 68.308 68.868 -0.098 0.000 0.892 848 T HN 0.561 nan 8.240 nan 0.000 0.432 849 V N 0.741 120.626 119.914 -0.050 0.000 2.720 849 V HA 0.092 4.213 4.120 0.002 0.000 0.256 849 V C 2.259 178.361 176.094 0.013 0.000 1.082 849 V CA 1.989 64.282 62.300 -0.012 0.000 1.101 849 V CB -1.384 30.446 31.823 0.012 0.000 0.693 849 V HN 0.469 nan 8.190 nan 0.000 0.479 850 G N -0.433 108.368 108.800 0.001 0.000 2.492 850 G HA2 0.127 4.088 3.960 0.002 0.000 0.214 850 G HA3 0.127 4.088 3.960 0.002 0.000 0.214 850 G C 1.666 176.620 174.900 0.090 0.000 1.147 850 G CA 0.659 45.793 45.100 0.055 0.000 0.809 850 G HN 0.803 nan 8.290 nan 0.000 0.533 851 A N 0.970 123.796 122.820 0.010 0.000 2.019 851 A HA 0.307 4.628 4.320 0.002 0.000 0.219 851 A C 2.602 180.269 177.584 0.138 0.000 1.164 851 A CA 2.207 54.251 52.037 0.012 0.000 0.644 851 A CB -0.378 18.571 19.000 -0.085 0.000 0.805 851 A HN 0.639 nan 8.150 nan 0.000 0.449 852 A N -0.761 122.093 122.820 0.055 0.000 1.956 852 A HA 0.467 4.788 4.320 0.002 0.000 0.212 852 A C 2.365 179.912 177.584 -0.062 0.000 1.188 852 A CA 1.189 53.203 52.037 -0.039 0.000 0.675 852 A CB -0.785 18.115 19.000 -0.167 0.000 0.845 852 A HN 0.956 nan 8.150 nan 0.000 0.455 853 A N -1.255 121.591 122.820 0.044 0.000 2.070 853 A HA -0.142 4.179 4.320 0.002 0.000 0.220 853 A C 1.855 179.610 177.584 0.285 0.000 1.159 853 A CA 1.430 53.547 52.037 0.134 0.000 0.656 853 A CB -0.853 18.256 19.000 0.181 0.000 0.800 853 A HN 0.889 nan 8.150 nan 0.000 0.453 854 W N -0.602 120.781 121.300 0.139 0.000 2.381 854 W HA -0.168 4.493 4.660 0.002 0.000 0.301 854 W C 1.998 178.664 176.519 0.244 0.000 1.205 854 W CA 1.473 58.945 57.345 0.211 0.000 1.285 854 W CB -0.387 29.171 29.460 0.163 0.000 1.133 854 W HN 0.496 nan 8.180 nan 0.000 0.521 855 W N 0.406 121.693 121.300 -0.021 0.000 2.392 855 W HA -0.209 4.452 4.660 0.002 0.000 0.279 855 W C 1.412 177.971 176.519 0.066 0.000 1.225 855 W CA 1.668 58.871 57.345 -0.237 0.000 1.233 855 W CB -0.886 28.510 29.460 -0.106 0.000 1.122 855 W HN 0.017 nan 8.180 nan 0.000 0.561 856 F N -1.105 118.925 119.950 0.132 0.000 2.374 856 F HA -0.133 4.395 4.527 0.002 0.000 0.291 856 F C 2.351 178.158 175.800 0.013 0.000 1.084 856 F CA 0.026 58.087 58.000 0.101 0.000 1.413 856 F CB -0.234 38.893 39.000 0.212 0.000 1.099 856 F HN -0.302 nan 8.300 nan 0.000 0.534 857 M N -0.144 119.582 119.600 0.211 0.000 2.065 857 M HA -0.031 4.450 4.480 0.002 0.000 0.224 857 M C 0.511 176.724 176.300 -0.144 0.000 1.263 857 M CA 1.310 56.626 55.300 0.026 0.000 1.088 857 M CB -1.326 31.298 32.600 0.041 0.000 1.054 857 M HN -0.051 nan 8.290 nan 0.000 0.439 858 Y N 0.959 121.265 120.300 0.009 0.000 2.903 858 Y HA 0.525 5.076 4.550 0.002 0.000 0.387 858 Y C 0.737 176.405 175.900 -0.388 0.000 1.189 858 Y CA -1.031 57.010 58.100 -0.098 0.000 1.856 858 Y CB -1.623 36.837 38.460 0.001 0.000 1.917 858 Y HN 0.240 nan 8.280 nan 0.000 0.448 859 A N 0.983 123.524 122.820 -0.465 0.000 2.507 859 A HA 0.208 4.530 4.320 0.002 0.000 0.235 859 A C 0.256 177.504 177.584 -0.560 0.000 1.070 859 A CA -0.272 51.205 52.037 -0.932 0.000 0.768 859 A CB 0.213 18.715 19.000 -0.828 0.000 1.011 859 A HN 0.630 nan 8.150 nan 0.000 0.502 860 E N 0.424 120.287 120.200 -0.562 0.000 2.182 860 E HA 0.302 4.653 4.350 0.002 0.000 0.258 860 E C -0.952 175.589 176.600 -0.099 0.000 0.879 860 E CA -0.392 55.955 56.400 -0.088 0.000 0.754 860 E CB 1.192 31.071 29.700 0.298 0.000 1.162 860 E HN 0.768 nan 8.360 nan 0.000 0.419 861 D N 1.977 122.324 120.400 -0.089 0.000 2.882 861 D HA -0.172 4.469 4.640 0.002 0.000 0.229 861 D C -0.423 175.793 176.300 -0.139 0.000 1.167 861 D CA 1.646 55.609 54.000 -0.062 0.000 0.759 861 D CB -0.533 40.282 40.800 0.026 0.000 1.088 861 D HN 0.613 nan 8.370 nan 0.000 0.425 862 G N -1.059 107.530 108.800 -0.352 0.000 2.574 862 G HA2 0.665 4.626 3.960 0.002 0.000 0.299 862 G HA3 0.665 4.626 3.960 0.002 0.000 0.299 862 G C -2.420 172.119 174.900 -0.601 0.000 1.298 862 G CA -0.922 43.818 45.100 -0.600 0.000 0.952 862 G HN 0.059 nan 8.290 nan 0.000 0.477 863 P HA 0.231 nan 4.420 nan 0.000 0.293 863 P C 1.297 178.416 177.300 -0.301 0.000 1.285 863 P CA 1.135 64.105 63.100 -0.217 0.000 0.775 863 P CB 0.121 31.854 31.700 0.054 0.000 1.351 864 G N -1.304 107.452 108.800 -0.073 0.000 4.610 864 G HA2 -0.362 3.599 3.960 0.002 0.000 0.323 864 G HA3 -0.362 3.599 3.960 0.002 0.000 0.323 864 G C 0.257 175.111 174.900 -0.077 0.000 1.377 864 G CA 1.083 46.162 45.100 -0.035 0.000 1.023 864 G HN 0.872 nan 8.290 nan 0.000 0.755 865 V N 0.190 120.034 119.914 -0.116 0.000 5.637 865 V HA -0.188 3.933 4.120 0.002 0.000 0.246 865 V C 0.762 176.826 176.094 -0.050 0.000 0.678 865 V CA 2.129 64.383 62.300 -0.077 0.000 0.578 865 V CB -2.074 29.694 31.823 -0.091 0.000 0.235 865 V HN 1.465 nan 8.190 nan 0.000 0.609 866 T N 1.063 115.590 114.554 -0.045 0.000 3.532 866 T HA 0.335 4.686 4.350 0.002 0.000 0.241 866 T C 0.737 175.365 174.700 -0.120 0.000 1.238 866 T CA 0.119 62.139 62.100 -0.134 0.000 1.405 866 T CB -0.065 68.748 68.868 -0.092 0.000 0.971 866 T HN 0.768 nan 8.240 nan 0.000 0.640 867 Y N -0.407 119.834 120.300 -0.098 0.000 2.888 867 Y HA 0.019 4.570 4.550 0.002 0.000 0.323 867 Y C 1.035 176.883 175.900 -0.086 0.000 1.189 867 Y CA 0.022 58.009 58.100 -0.188 0.000 1.379 867 Y CB -1.008 37.142 38.460 -0.517 0.000 1.012 867 Y HN 0.500 nan 8.280 nan 0.000 0.529 868 H N 1.135 120.081 119.070 -0.206 0.000 3.039 868 H HA 0.194 4.751 4.556 0.002 0.000 0.234 868 H C -0.249 175.055 175.328 -0.040 0.000 1.570 868 H CA -0.581 55.398 56.048 -0.115 0.000 1.674 868 H CB 0.584 30.238 29.762 -0.181 0.000 1.538 868 H HN 0.296 nan 8.280 nan 0.000 0.963 869 Q N 1.123 120.676 119.800 -0.413 0.000 2.262 869 Q HA -0.008 4.333 4.340 0.002 0.000 0.298 869 Q C 0.028 176.014 176.000 -0.024 0.000 1.083 869 Q CA 0.111 55.799 55.803 -0.193 0.000 0.962 869 Q CB 0.210 28.856 28.738 -0.154 0.000 1.104 869 Q HN 0.552 nan 8.270 nan 0.000 0.376 870 L N 3.334 124.590 121.223 0.055 0.000 2.731 870 L HA 0.062 4.403 4.340 0.002 0.000 0.240 870 L C 1.785 178.804 176.870 0.248 0.000 1.120 870 L CA 0.011 55.015 54.840 0.272 0.000 0.913 870 L CB 0.145 42.462 42.059 0.430 0.000 1.213 870 L HN 0.683 nan 8.230 nan 0.000 0.515 871 T N -0.802 113.774 114.554 0.037 0.000 2.570 871 T HA -0.207 4.144 4.350 0.002 0.000 0.266 871 T C 1.025 175.776 174.700 0.085 0.000 1.071 871 T CA 1.502 63.584 62.100 -0.030 0.000 1.172 871 T CB -0.319 68.347 68.868 -0.337 0.000 0.864 871 T HN 0.293 nan 8.240 nan 0.000 0.421 872 H N -0.039 119.083 119.070 0.086 0.000 2.713 872 H HA 0.308 4.865 4.556 0.002 0.000 0.294 872 H C 0.810 176.154 175.328 0.026 0.000 1.366 872 H CA -1.173 54.904 56.048 0.049 0.000 1.139 872 H CB -1.117 28.637 29.762 -0.014 0.000 1.487 872 H HN 0.330 nan 8.280 nan 0.000 0.504 873 F N 0.765 120.761 119.950 0.076 0.000 2.408 873 F HA -0.103 4.425 4.527 0.002 0.000 0.300 873 F C 1.811 177.557 175.800 -0.089 0.000 1.090 873 F CA 0.731 58.705 58.000 -0.045 0.000 1.427 873 F CB 0.124 39.128 39.000 0.007 0.000 1.070 873 F HN 0.178 nan 8.300 nan 0.000 0.549 874 M N -0.217 119.517 119.600 0.224 0.000 2.726 874 M HA -0.038 4.443 4.480 0.002 0.000 0.211 874 M C 0.398 176.718 176.300 0.034 0.000 1.190 874 M CA 1.049 56.430 55.300 0.136 0.000 1.000 874 M CB -0.220 32.451 32.600 0.119 0.000 1.790 874 M HN 0.278 nan 8.290 nan 0.000 0.467 875 Q N -2.223 117.566 119.800 -0.020 0.000 2.081 875 Q HA 0.074 4.415 4.340 0.002 0.000 0.220 875 Q C 1.562 177.488 176.000 -0.124 0.000 0.775 875 Q CA -0.137 55.627 55.803 -0.065 0.000 0.983 875 Q CB 0.552 29.252 28.738 -0.063 0.000 1.188 875 Q HN 0.573 nan 8.270 nan 0.000 0.458 876 c N 0.982 119.468 118.600 -0.190 0.000 2.419 876 c HA -0.064 4.507 4.570 0.002 0.000 0.281 876 c C 1.795 175.829 174.090 -0.094 0.000 1.336 876 c CA 1.356 57.543 56.329 -0.236 0.000 1.770 876 c CB -0.529 41.737 42.510 -0.406 0.000 1.929 876 c HN 0.390 nan 8.230 nan 0.000 0.509 877 T N -0.376 114.133 114.554 -0.075 0.000 3.273 877 T HA 0.100 4.451 4.350 0.002 0.000 0.254 877 T C 0.931 175.618 174.700 -0.022 0.000 1.002 877 T CA 0.564 62.640 62.100 -0.039 0.000 0.913 877 T CB 0.057 68.905 68.868 -0.032 0.000 1.056 877 T HN 0.677 nan 8.240 nan 0.000 0.576 878 E N 1.124 121.313 120.200 -0.018 0.000 2.444 878 E HA 0.087 4.438 4.350 0.002 0.000 0.209 878 E C -0.545 176.071 176.600 0.026 0.000 0.806 878 E CA 0.228 56.623 56.400 -0.008 0.000 1.240 878 E CB 0.888 30.568 29.700 -0.033 0.000 1.238 878 E HN 0.118 nan 8.360 nan 0.000 0.591 879 D N 0.506 120.923 120.400 0.030 0.000 2.328 879 D HA 0.060 4.701 4.640 0.002 0.000 0.243 879 D C -0.129 176.266 176.300 0.159 0.000 1.324 879 D CA -0.171 53.884 54.000 0.091 0.000 0.966 879 D CB 0.636 41.438 40.800 0.004 0.000 1.324 879 D HN 0.354 nan 8.370 nan 0.000 0.549 880 H N 0.650 119.770 119.070 0.083 0.000 2.551 880 H HA 0.105 4.662 4.556 0.002 0.000 0.266 880 H C -1.402 173.906 175.328 -0.034 0.000 0.964 880 H CA -0.092 56.055 56.048 0.165 0.000 1.180 880 H CB -0.780 29.167 29.762 0.309 0.000 1.408 880 H HN 0.185 nan 8.280 nan 0.000 0.563 881 P HA -0.115 nan 4.420 nan 0.000 0.236 881 P C 0.114 177.122 177.300 -0.486 0.000 1.172 881 P CA 0.979 63.708 63.100 -0.619 0.000 0.759 881 P CB -0.237 31.180 31.700 -0.472 0.000 0.843 882 H N -0.716 118.154 119.070 -0.334 0.000 2.547 882 H HA 0.149 4.706 4.556 0.002 0.000 0.272 882 H C 0.951 176.157 175.328 -0.204 0.000 0.971 882 H CA 0.056 55.954 56.048 -0.251 0.000 1.245 882 H CB -0.631 29.014 29.762 -0.194 0.000 1.440 882 H HN 0.232 nan 8.280 nan 0.000 0.540 883 F N 0.377 120.277 119.950 -0.083 0.000 2.378 883 F HA 0.434 4.962 4.527 0.002 0.000 0.325 883 F C 0.177 175.916 175.800 -0.103 0.000 1.097 883 F CA -1.324 56.613 58.000 -0.105 0.000 1.079 883 F CB 0.973 39.920 39.000 -0.089 0.000 1.240 883 F HN -0.087 nan 8.300 nan 0.000 0.519 884 E N 1.305 121.615 120.200 0.183 0.000 3.303 884 E HA 0.421 4.772 4.350 0.002 0.000 0.215 884 E C 0.396 177.120 176.600 0.208 0.000 1.181 884 E CA 0.003 56.429 56.400 0.044 0.000 0.998 884 E CB 0.026 29.700 29.700 -0.043 0.000 1.312 884 E HN 1.202 nan 8.360 nan 0.000 0.412 885 G N 2.619 111.687 108.800 0.447 0.000 2.159 885 G HA2 -0.225 3.736 3.960 0.002 0.000 0.227 885 G HA3 -0.225 3.736 3.960 0.002 0.000 0.227 885 G C -0.046 174.959 174.900 0.176 0.000 0.986 885 G CA 0.281 45.563 45.100 0.304 0.000 0.651 885 G HN 0.429 nan 8.290 nan 0.000 0.523 886 L N -2.110 119.160 121.223 0.078 0.000 2.354 886 L HA 0.872 5.213 4.340 0.002 0.000 0.269 886 L C -0.432 176.083 176.870 -0.592 0.000 1.005 886 L CA -1.337 53.395 54.840 -0.181 0.000 0.819 886 L CB 1.782 43.790 42.059 -0.085 0.000 1.311 886 L HN -0.020 nan 8.230 nan 0.000 0.423 887 D N 0.960 121.150 120.400 -0.351 0.000 2.345 887 D HA 0.124 4.765 4.640 0.002 0.000 0.247 887 D C 0.785 176.926 176.300 -0.266 0.000 1.108 887 D CA -0.261 53.530 54.000 -0.349 0.000 0.894 887 D CB 1.998 42.710 40.800 -0.147 0.000 1.203 887 D HN 0.815 nan 8.370 nan 0.000 0.430 888 c N 2.585 121.016 118.600 -0.281 0.000 2.403 888 c HA -0.154 4.417 4.570 0.002 0.000 0.277 888 c C 2.257 176.353 174.090 0.011 0.000 1.248 888 c CA 0.615 56.843 56.329 -0.169 0.000 1.762 888 c CB -0.851 41.541 42.510 -0.197 0.000 2.014 888 c HN 0.748 nan 8.230 nan 0.000 0.486 889 E N 0.224 120.494 120.200 0.116 0.000 2.510 889 E HA -0.171 4.180 4.350 0.002 0.000 0.202 889 E C 1.635 178.424 176.600 0.315 0.000 1.072 889 E CA 0.156 56.756 56.400 0.334 0.000 0.883 889 E CB -0.143 29.651 29.700 0.156 0.000 0.818 889 E HN 0.627 nan 8.360 nan 0.000 0.548 890 I N 0.587 121.289 120.570 0.220 0.000 2.614 890 I HA -0.211 3.960 4.170 0.002 0.000 0.258 890 I C 1.558 177.805 176.117 0.217 0.000 1.189 890 I CA 0.930 62.331 61.300 0.170 0.000 1.462 890 I CB -0.321 37.727 38.000 0.081 0.000 1.092 890 I HN 0.292 nan 8.210 nan 0.000 0.442 891 F N -0.660 119.157 119.950 -0.222 0.000 2.661 891 F HA 0.126 4.654 4.527 0.002 0.000 0.298 891 F C 1.686 177.466 175.800 -0.034 0.000 1.137 891 F CA 0.252 58.037 58.000 -0.359 0.000 1.454 891 F CB -0.648 37.601 39.000 -1.252 0.000 1.103 891 F HN 0.052 nan 8.300 nan 0.000 0.577 892 E N 1.491 121.546 120.200 -0.242 0.000 2.479 892 E HA 0.254 4.605 4.350 0.002 0.000 0.193 892 E C 0.820 177.338 176.600 -0.136 0.000 1.049 892 E CA -0.265 55.898 56.400 -0.395 0.000 0.870 892 E CB 0.384 29.856 29.700 -0.380 0.000 0.944 892 E HN 0.421 nan 8.360 nan 0.000 0.492 893 A N 2.616 125.437 122.820 0.001 0.000 2.511 893 A HA 0.063 4.384 4.320 0.002 0.000 0.242 893 A C -1.373 176.147 177.584 -0.106 0.000 1.069 893 A CA -0.921 51.113 52.037 -0.004 0.000 0.763 893 A CB 0.064 19.126 19.000 0.104 0.000 1.001 893 A HN -0.002 nan 8.150 nan 0.000 0.498 894 P HA -0.108 nan 4.420 nan 0.000 0.234 894 P C 0.652 177.781 177.300 -0.285 0.000 1.167 894 P CA 0.687 63.683 63.100 -0.173 0.000 0.763 894 P CB 0.310 31.932 31.700 -0.131 0.000 0.835 895 E N 0.770 120.720 120.200 -0.417 0.000 2.012 895 E HA -0.137 4.214 4.350 0.002 0.000 0.197 895 E C -0.422 175.685 176.600 -0.822 0.000 1.007 895 E CA 1.643 57.542 56.400 -0.834 0.000 0.816 895 E CB -2.298 26.500 29.700 -1.503 0.000 0.762 895 E HN 0.368 nan 8.360 nan 0.000 0.451 896 P HA -0.145 nan 4.420 nan 0.000 0.213 896 P C 1.815 178.926 177.300 -0.316 0.000 1.170 896 P CA 1.632 64.420 63.100 -0.520 0.000 0.902 896 P CB -0.218 31.128 31.700 -0.590 0.000 0.789 897 M N -1.571 117.877 119.600 -0.255 0.000 2.144 897 M HA -0.152 4.329 4.480 0.002 0.000 0.260 897 M C 1.886 178.097 176.300 -0.148 0.000 1.067 897 M CA 2.042 57.246 55.300 -0.160 0.000 1.095 897 M CB -1.586 30.942 32.600 -0.119 0.000 1.365 897 M HN -0.034 nan 8.290 nan 0.000 0.406 898 T N 0.349 114.783 114.554 -0.200 0.000 2.881 898 T HA -0.069 4.282 4.350 0.002 0.000 0.270 898 T C 1.806 176.394 174.700 -0.188 0.000 1.068 898 T CA 0.942 62.932 62.100 -0.183 0.000 1.131 898 T CB 0.006 68.737 68.868 -0.229 0.000 0.871 898 T HN 0.245 nan 8.240 nan 0.000 0.479 899 M N 0.964 120.442 119.600 -0.204 0.000 2.171 899 M HA 0.222 4.703 4.480 0.002 0.000 0.260 899 M C 2.926 179.142 176.300 -0.141 0.000 1.087 899 M CA 1.186 56.384 55.300 -0.169 0.000 1.154 899 M CB -1.530 31.023 32.600 -0.078 0.000 1.331 899 M HN 0.275 nan 8.290 nan 0.000 0.431 900 A N 0.272 123.023 122.820 -0.116 0.000 1.927 900 A HA -0.213 4.108 4.320 0.002 0.000 0.220 900 A C 2.222 179.758 177.584 -0.082 0.000 1.185 900 A CA 1.783 53.764 52.037 -0.093 0.000 0.639 900 A CB -1.057 17.896 19.000 -0.079 0.000 0.820 900 A HN 0.445 nan 8.150 nan 0.000 0.451 901 L N -1.077 120.109 121.223 -0.061 0.000 2.179 901 L HA 0.042 4.384 4.340 0.002 0.000 0.208 901 L C 2.499 179.333 176.870 -0.060 0.000 1.096 901 L CA 2.071 56.902 54.840 -0.014 0.000 0.779 901 L CB -0.252 41.843 42.059 0.060 0.000 0.922 901 L HN 0.297 nan 8.230 nan 0.000 0.443 902 S N -2.074 113.571 115.700 -0.092 0.000 2.470 902 S HA -0.014 4.458 4.470 0.002 0.000 0.225 902 S C 1.743 176.208 174.600 -0.225 0.000 1.006 902 S CA 0.874 58.969 58.200 -0.175 0.000 0.934 902 S CB -0.021 62.993 63.200 -0.311 0.000 0.778 902 S HN 0.274 nan 8.310 nan 0.000 0.517 903 V N 1.499 121.308 119.914 -0.175 0.000 2.331 903 V HA 0.017 4.139 4.120 0.002 0.000 0.242 903 V C 2.248 178.274 176.094 -0.112 0.000 1.034 903 V CA 1.233 63.449 62.300 -0.139 0.000 1.027 903 V CB -0.492 31.248 31.823 -0.140 0.000 0.667 903 V HN 0.447 nan 8.190 nan 0.000 0.457 904 L N 0.023 121.179 121.223 -0.110 0.000 2.129 904 L HA -0.154 4.187 4.340 0.002 0.000 0.212 904 L C 2.189 179.000 176.870 -0.098 0.000 1.087 904 L CA 1.964 56.748 54.840 -0.094 0.000 0.757 904 L CB -0.469 41.544 42.059 -0.076 0.000 0.896 904 L HN 0.133 nan 8.230 nan 0.000 0.434 905 V N -1.581 118.248 119.914 -0.141 0.000 2.379 905 V HA -0.173 3.948 4.120 0.002 0.000 0.243 905 V C 2.323 178.353 176.094 -0.107 0.000 1.035 905 V CA 1.892 64.089 62.300 -0.172 0.000 1.035 905 V CB -0.474 31.130 31.823 -0.366 0.000 0.673 905 V HN 0.466 nan 8.190 nan 0.000 0.457 906 T N 0.152 114.656 114.554 -0.082 0.000 2.867 906 T HA -0.079 4.272 4.350 0.002 0.000 0.268 906 T C 1.847 176.561 174.700 0.022 0.000 1.057 906 T CA 1.498 63.603 62.100 0.007 0.000 1.136 906 T CB -0.169 68.756 68.868 0.096 0.000 0.874 906 T HN 0.358 nan 8.240 nan 0.000 0.466 907 I N 0.873 121.446 120.570 0.005 0.000 2.252 907 I HA -0.135 4.037 4.170 0.002 0.000 0.245 907 I C 2.376 178.524 176.117 0.052 0.000 1.102 907 I CA 1.481 62.801 61.300 0.034 0.000 1.385 907 I CB -0.027 37.982 38.000 0.015 0.000 1.064 907 I HN 0.257 nan 8.210 nan 0.000 0.414 908 E N 0.097 120.321 120.200 0.040 0.000 2.150 908 E HA -0.208 4.144 4.350 0.002 0.000 0.193 908 E C 2.027 178.729 176.600 0.169 0.000 0.985 908 E CA 1.024 57.492 56.400 0.114 0.000 0.814 908 E CB -0.029 29.707 29.700 0.060 0.000 0.752 908 E HN 0.420 nan 8.360 nan 0.000 0.466 909 M N -0.089 119.553 119.600 0.070 0.000 2.374 909 M HA -0.104 4.377 4.480 0.002 0.000 0.264 909 M C 2.054 178.363 176.300 0.015 0.000 1.067 909 M CA 0.797 56.113 55.300 0.026 0.000 1.103 909 M CB -0.821 31.784 32.600 0.008 0.000 1.402 909 M HN 0.260 nan 8.290 nan 0.000 0.444 910 C N 0.017 119.342 119.300 0.043 0.000 2.522 910 C HA -0.007 4.455 4.460 0.002 0.000 0.280 910 C C 2.510 177.522 174.990 0.038 0.000 1.303 910 C CA 0.634 59.674 59.018 0.038 0.000 1.709 910 C CB -1.024 26.747 27.740 0.053 0.000 2.071 910 C HN 0.560 nan 8.230 nan 0.000 0.492 911 N N 1.431 120.182 118.700 0.085 0.000 2.348 911 N HA -0.076 4.665 4.740 0.002 0.000 0.185 911 N C 1.500 177.063 175.510 0.088 0.000 1.019 911 N CA 1.450 54.571 53.050 0.118 0.000 0.880 911 N CB -0.138 38.456 38.487 0.179 0.000 0.965 911 N HN 0.502 nan 8.380 nan 0.000 0.437 912 A N -0.182 122.596 122.820 -0.070 0.000 2.014 912 A HA 0.051 4.372 4.320 0.002 0.000 0.218 912 A C 2.121 179.581 177.584 -0.207 0.000 1.163 912 A CA 0.553 52.328 52.037 -0.436 0.000 0.652 912 A CB -0.377 18.245 19.000 -0.631 0.000 0.808 912 A HN 0.345 nan 8.150 nan 0.000 0.449 913 L N -0.317 120.850 121.223 -0.094 0.000 2.395 913 L HA -0.050 4.291 4.340 0.002 0.000 0.218 913 L C 1.523 178.371 176.870 -0.038 0.000 1.130 913 L CA 0.370 55.176 54.840 -0.055 0.000 0.826 913 L CB -0.358 41.686 42.059 -0.025 0.000 0.941 913 L HN 0.310 nan 8.230 nan 0.000 0.451 914 N N -0.732 117.957 118.700 -0.019 0.000 2.463 914 N HA -0.046 4.696 4.740 0.002 0.000 0.181 914 N C 1.184 176.699 175.510 0.008 0.000 1.078 914 N CA 0.562 53.615 53.050 0.005 0.000 0.902 914 N CB 0.259 38.762 38.487 0.027 0.000 0.970 914 N HN 0.094 nan 8.380 nan 0.000 0.451 915 S N 0.284 115.975 115.700 -0.016 0.000 2.583 915 S HA 0.288 4.759 4.470 0.002 0.000 0.239 915 S C 1.549 176.136 174.600 -0.022 0.000 0.966 915 S CA -0.245 57.950 58.200 -0.008 0.000 0.973 915 S CB 0.223 63.414 63.200 -0.014 0.000 0.794 915 S HN 0.203 nan 8.310 nan 0.000 0.463 916 L N 0.577 121.784 121.223 -0.027 0.000 2.341 916 L HA 0.204 4.545 4.340 0.002 0.000 0.214 916 L C 1.136 177.998 176.870 -0.014 0.000 1.115 916 L CA 0.461 55.286 54.840 -0.026 0.000 0.820 916 L CB 0.202 42.235 42.059 -0.044 0.000 0.944 916 L HN 0.283 nan 8.230 nan 0.000 0.452 917 S N -1.904 113.794 115.700 -0.002 0.000 2.596 917 S HA 0.171 4.642 4.470 0.002 0.000 0.270 917 S C 0.382 175.002 174.600 0.033 0.000 1.155 917 S CA -0.697 57.509 58.200 0.010 0.000 0.827 917 S CB 1.739 64.940 63.200 0.001 0.000 1.130 917 S HN 0.168 nan 8.310 nan 0.000 0.467 918 E N 1.389 121.617 120.200 0.047 0.000 2.033 918 E HA 0.046 4.397 4.350 0.002 0.000 0.189 918 E C 0.930 177.583 176.600 0.089 0.000 0.979 918 E CA 1.142 57.587 56.400 0.074 0.000 0.802 918 E CB -0.072 29.680 29.700 0.086 0.000 0.763 918 E HN 0.769 nan 8.360 nan 0.000 0.449 919 N N -0.801 117.944 118.700 0.076 0.000 2.210 919 N HA 0.037 4.778 4.740 0.002 0.000 0.203 919 N C -0.491 175.054 175.510 0.058 0.000 1.175 919 N CA -0.326 52.774 53.050 0.084 0.000 0.894 919 N CB 0.765 39.298 38.487 0.077 0.000 1.041 919 N HN -0.042 nan 8.380 nan 0.000 0.506 920 Q N 1.521 121.343 119.800 0.035 0.000 2.296 920 Q HA 0.118 4.459 4.340 0.002 0.000 0.262 920 Q C -0.038 175.974 176.000 0.020 0.000 0.981 920 Q CA 0.205 56.020 55.803 0.019 0.000 0.905 920 Q CB 1.387 30.124 28.738 -0.001 0.000 1.186 920 Q HN 0.064 nan 8.270 nan 0.000 0.399 921 S N 2.332 118.051 115.700 0.031 0.000 2.560 921 S HA 0.049 4.520 4.470 0.002 0.000 0.284 921 S C 1.464 176.054 174.600 -0.015 0.000 1.327 921 S CA -0.400 57.818 58.200 0.030 0.000 1.055 921 S CB 0.359 63.594 63.200 0.058 0.000 0.868 921 S HN 0.687 nan 8.310 nan 0.000 0.506 922 L N 3.621 124.828 121.223 -0.027 0.000 2.351 922 L HA -0.148 4.194 4.340 0.002 0.000 0.220 922 L C 2.308 179.113 176.870 -0.109 0.000 1.127 922 L CA 0.868 55.662 54.840 -0.077 0.000 0.786 922 L CB -0.316 41.708 42.059 -0.058 0.000 0.914 922 L HN 0.717 nan 8.230 nan 0.000 0.443 923 M N -0.821 118.747 119.600 -0.054 0.000 2.254 923 M HA -0.151 4.330 4.480 0.002 0.000 0.265 923 M C 2.193 178.459 176.300 -0.057 0.000 1.066 923 M CA 1.611 56.886 55.300 -0.042 0.000 1.123 923 M CB -0.159 32.445 32.600 0.006 0.000 1.388 923 M HN -0.057 nan 8.290 nan 0.000 0.425 924 R N -0.823 119.647 120.500 -0.050 0.000 2.128 924 R HA 0.229 4.570 4.340 0.002 0.000 0.211 924 R C 0.008 176.252 176.300 -0.093 0.000 1.067 924 R CA 0.933 57.005 56.100 -0.047 0.000 1.010 924 R CB 0.279 30.569 30.300 -0.017 0.000 0.922 924 R HN 0.194 nan 8.270 nan 0.000 0.457 925 M N 2.383 121.909 119.600 -0.122 0.000 2.325 925 M HA 0.347 4.829 4.480 0.002 0.000 0.305 925 M C -2.348 173.781 176.300 -0.285 0.000 1.047 925 M CA -2.092 53.108 55.300 -0.166 0.000 0.981 925 M CB 1.616 34.157 32.600 -0.099 0.000 1.307 925 M HN -0.204 nan 8.290 nan 0.000 0.418 926 P HA -0.056 nan 4.420 nan 0.000 0.264 926 P C -1.676 175.217 177.300 -0.677 0.000 1.173 926 P CA -0.399 62.149 63.100 -0.920 0.000 0.761 926 P CB 0.028 30.492 31.700 -2.060 0.000 0.794 927 P HA -0.143 nan 4.420 nan 0.000 0.223 927 P C 0.515 177.799 177.300 -0.028 0.000 1.144 927 P CA 1.403 64.415 63.100 -0.146 0.000 0.783 927 P CB -0.310 31.374 31.700 -0.027 0.000 0.771 928 W N -0.755 120.563 121.300 0.030 0.000 3.434 928 W HA 0.310 4.972 4.660 0.002 0.000 0.297 928 W C 0.892 177.438 176.519 0.044 0.000 1.295 928 W CA -0.347 57.018 57.345 0.034 0.000 1.731 928 W CB -1.568 27.907 29.460 0.025 0.000 1.070 928 W HN -0.337 nan 8.180 nan 0.000 0.726 929 V N 1.479 121.365 119.914 -0.048 0.000 2.649 929 V HA -0.119 4.002 4.120 0.002 0.000 0.248 929 V C 0.968 177.118 176.094 0.094 0.000 1.054 929 V CA 1.352 63.653 62.300 0.002 0.000 1.073 929 V CB -0.606 31.155 31.823 -0.104 0.000 0.699 929 V HN 0.293 nan 8.190 nan 0.000 0.463 930 N N 1.055 119.817 118.700 0.103 0.000 2.816 930 N HA 0.178 4.919 4.740 0.002 0.000 0.236 930 N C 0.840 176.480 175.510 0.217 0.000 1.076 930 N CA -0.187 52.961 53.050 0.163 0.000 0.902 930 N CB 0.842 39.407 38.487 0.130 0.000 1.149 930 N HN 0.032 nan 8.380 nan 0.000 0.506 931 I N 1.138 121.860 120.570 0.252 0.000 2.194 931 I HA -0.246 3.925 4.170 0.002 0.000 0.246 931 I C 1.496 177.726 176.117 0.188 0.000 1.093 931 I CA 1.203 62.621 61.300 0.196 0.000 1.355 931 I CB -0.850 37.239 38.000 0.148 0.000 1.046 931 I HN 0.514 nan 8.210 nan 0.000 0.413 932 W N 0.660 121.995 121.300 0.059 0.000 2.342 932 W HA -0.206 4.455 4.660 0.002 0.000 0.297 932 W C 2.508 179.084 176.519 0.095 0.000 1.213 932 W CA 0.809 58.198 57.345 0.073 0.000 1.251 932 W CB -1.111 28.402 29.460 0.088 0.000 1.136 932 W HN 0.099 nan 8.180 nan 0.000 0.526 933 L N 0.070 121.482 121.223 0.315 0.000 2.017 933 L HA -0.148 4.193 4.340 0.002 0.000 0.208 933 L C 2.126 179.059 176.870 0.106 0.000 1.073 933 L CA 1.880 56.824 54.840 0.174 0.000 0.745 933 L CB -1.118 41.003 42.059 0.104 0.000 0.894 933 L HN -0.009 nan 8.230 nan 0.000 0.432 934 L N -0.719 120.566 121.223 0.103 0.000 2.046 934 L HA -0.133 4.208 4.340 0.002 0.000 0.208 934 L C 2.535 179.431 176.870 0.045 0.000 1.077 934 L CA 1.317 56.199 54.840 0.071 0.000 0.747 934 L CB -1.426 40.685 42.059 0.087 0.000 0.896 934 L HN 0.465 nan 8.230 nan 0.000 0.432 935 G N -0.967 107.851 108.800 0.029 0.000 2.422 935 G HA2 -0.228 3.733 3.960 0.002 0.000 0.218 935 G HA3 -0.228 3.733 3.960 0.002 0.000 0.218 935 G C 1.714 176.621 174.900 0.012 0.000 1.146 935 G CA 0.980 46.070 45.100 -0.017 0.000 0.769 935 G HN 0.375 nan 8.290 nan 0.000 0.547 936 S N 0.420 116.155 115.700 0.059 0.000 2.387 936 S HA 0.031 4.502 4.470 0.002 0.000 0.226 936 S C 2.218 176.840 174.600 0.036 0.000 1.026 936 S CA 0.574 58.816 58.200 0.070 0.000 0.972 936 S CB -0.137 63.136 63.200 0.122 0.000 0.814 936 S HN 0.395 nan 8.310 nan 0.000 0.477 937 I N 0.995 121.583 120.570 0.029 0.000 2.394 937 I HA -0.196 3.975 4.170 0.002 0.000 0.251 937 I C 2.227 178.357 176.117 0.021 0.000 1.136 937 I CA 0.541 61.850 61.300 0.015 0.000 1.425 937 I CB -0.509 37.500 38.000 0.015 0.000 1.079 937 I HN 0.363 nan 8.210 nan 0.000 0.425 938 C N 0.266 119.581 119.300 0.025 0.000 2.548 938 C HA -0.149 4.312 4.460 0.002 0.000 0.284 938 C C 2.725 177.739 174.990 0.040 0.000 1.252 938 C CA 0.346 59.384 59.018 0.032 0.000 1.725 938 C CB -0.995 26.755 27.740 0.016 0.000 2.098 938 C HN 0.478 nan 8.230 nan 0.000 0.471 939 L N 1.500 122.738 121.223 0.024 0.000 2.034 939 L HA -0.227 4.114 4.340 0.002 0.000 0.217 939 L C 2.509 179.401 176.870 0.037 0.000 1.077 939 L CA 2.320 57.175 54.840 0.025 0.000 0.769 939 L CB -0.903 41.159 42.059 0.005 0.000 0.890 939 L HN 0.324 nan 8.230 nan 0.000 0.435 940 S N -1.451 114.258 115.700 0.016 0.000 2.368 940 S HA -0.187 4.284 4.470 0.002 0.000 0.225 940 S C 1.846 176.469 174.600 0.039 0.000 1.030 940 S CA 1.688 59.883 58.200 -0.008 0.000 0.999 940 S CB -0.268 62.909 63.200 -0.039 0.000 0.844 940 S HN 0.396 nan 8.310 nan 0.000 0.459 941 M N 1.362 120.983 119.600 0.034 0.000 2.156 941 M HA 0.036 4.517 4.480 0.002 0.000 0.264 941 M C 2.205 178.551 176.300 0.077 0.000 1.067 941 M CA 1.142 56.438 55.300 -0.006 0.000 1.131 941 M CB -0.748 31.838 32.600 -0.022 0.000 1.368 941 M HN 0.117 nan 8.290 nan 0.000 0.416 942 S N 0.286 116.097 115.700 0.185 0.000 2.353 942 S HA -0.139 4.332 4.470 0.002 0.000 0.222 942 S C 1.741 176.498 174.600 0.262 0.000 1.035 942 S CA 1.261 59.621 58.200 0.266 0.000 1.025 942 S CB -0.541 62.749 63.200 0.149 0.000 0.902 942 S HN 0.292 nan 8.310 nan 0.000 0.440 943 L N 0.937 122.301 121.223 0.235 0.000 2.079 943 L HA -0.104 4.237 4.340 0.002 0.000 0.210 943 L C 2.206 179.363 176.870 0.478 0.000 1.081 943 L CA 1.746 56.788 54.840 0.335 0.000 0.752 943 L CB -1.062 41.187 42.059 0.316 0.000 0.896 943 L HN 0.375 nan 8.230 nan 0.000 0.433 944 H N -1.896 117.382 119.070 0.347 0.000 2.428 944 H HA -0.111 4.446 4.556 0.002 0.000 0.296 944 H C 1.967 177.393 175.328 0.163 0.000 1.062 944 H CA 1.316 57.547 56.048 0.306 0.000 1.350 944 H CB 0.008 29.893 29.762 0.205 0.000 1.403 944 H HN 0.160 nan 8.280 nan 0.000 0.533 945 F N -0.091 119.960 119.950 0.169 0.000 2.084 945 F HA -0.110 4.419 4.527 0.002 0.000 0.296 945 F C 2.476 178.301 175.800 0.042 0.000 1.111 945 F CA 1.108 59.133 58.000 0.042 0.000 1.224 945 F CB -1.094 37.844 39.000 -0.104 0.000 0.991 945 F HN 0.212 nan 8.300 nan 0.000 0.471 946 L N -0.146 121.223 121.223 0.244 0.000 2.089 946 L HA -0.229 4.112 4.340 0.002 0.000 0.213 946 L C 2.051 178.957 176.870 0.059 0.000 1.079 946 L CA 1.503 56.428 54.840 0.143 0.000 0.758 946 L CB -0.671 41.463 42.059 0.125 0.000 0.891 946 L HN 0.119 nan 8.230 nan 0.000 0.433 947 I N -1.234 119.291 120.570 -0.075 0.000 3.334 947 I HA -0.156 4.015 4.170 0.002 0.000 0.282 947 I C 1.548 177.525 176.117 -0.234 0.000 1.313 947 I CA 1.129 62.234 61.300 -0.326 0.000 1.396 947 I CB -0.071 37.367 38.000 -0.937 0.000 1.054 947 I HN 0.269 nan 8.210 nan 0.000 0.495 948 L N -2.185 119.030 121.223 -0.013 0.000 2.653 948 L HA 0.082 4.423 4.340 0.002 0.000 0.230 948 L C 0.793 177.722 176.870 0.098 0.000 1.055 948 L CA 0.155 55.032 54.840 0.063 0.000 0.880 948 L CB -0.073 42.130 42.059 0.240 0.000 1.195 948 L HN 0.050 nan 8.230 nan 0.000 0.492 949 Y N -0.447 119.870 120.300 0.028 0.000 2.555 949 Y HA 0.273 4.824 4.550 0.002 0.000 0.259 949 Y C 0.366 176.271 175.900 0.009 0.000 1.179 949 Y CA -0.455 57.663 58.100 0.029 0.000 1.230 949 Y CB 0.433 38.916 38.460 0.038 0.000 1.146 949 Y HN -0.234 nan 8.280 nan 0.000 0.526 950 V N 0.789 120.772 119.914 0.115 0.000 2.235 950 V HA 0.087 4.208 4.120 0.002 0.000 0.266 950 V C 0.734 176.845 176.094 0.028 0.000 1.055 950 V CA -0.759 61.580 62.300 0.066 0.000 0.844 950 V CB 0.581 32.440 31.823 0.059 0.000 1.097 950 V HN 0.211 nan 8.190 nan 0.000 0.453 951 D N 4.973 125.381 120.400 0.012 0.000 5.151 951 D HA -0.268 4.373 4.640 0.002 0.000 0.243 951 D C -0.660 175.636 176.300 -0.006 0.000 1.563 951 D CA 2.991 56.987 54.000 -0.007 0.000 0.858 951 D CB -0.442 40.355 40.800 -0.004 0.000 0.880 951 D HN 0.445 nan 8.370 nan 0.000 0.721 952 P HA -0.074 nan 4.420 nan 0.000 0.216 952 P C 1.537 178.845 177.300 0.013 0.000 1.153 952 P CA 0.975 64.078 63.100 0.005 0.000 0.848 952 P CB 0.025 31.733 31.700 0.012 0.000 0.787 953 L N 0.311 121.549 121.223 0.025 0.000 1.976 953 L HA -0.076 4.265 4.340 0.002 0.000 0.209 953 L C -0.471 176.431 176.870 0.053 0.000 1.071 953 L CA 2.659 57.531 54.840 0.054 0.000 0.746 953 L CB -2.864 39.205 42.059 0.017 0.000 0.890 953 L HN 0.090 nan 8.230 nan 0.000 0.432 954 P HA -0.257 nan 4.420 nan 0.000 0.219 954 P C 1.824 179.114 177.300 -0.017 0.000 1.144 954 P CA 1.755 64.832 63.100 -0.038 0.000 0.806 954 P CB -0.122 31.532 31.700 -0.077 0.000 0.771 955 M N -1.116 118.476 119.600 -0.013 0.000 2.334 955 M HA -0.022 4.460 4.480 0.002 0.000 0.266 955 M C 2.055 178.338 176.300 -0.028 0.000 1.082 955 M CA 1.069 56.354 55.300 -0.025 0.000 1.141 955 M CB -0.321 32.263 32.600 -0.028 0.000 1.380 955 M HN -0.181 nan 8.290 nan 0.000 0.440 956 I N -0.114 120.443 120.570 -0.022 0.000 2.163 956 I HA -0.266 3.905 4.170 0.002 0.000 0.240 956 I C 1.279 177.276 176.117 -0.199 0.000 1.081 956 I CA 1.383 62.613 61.300 -0.117 0.000 1.353 956 I CB -0.480 37.431 38.000 -0.149 0.000 1.054 956 I HN 0.138 nan 8.210 nan 0.000 0.407 957 F N 1.208 121.090 119.950 -0.115 0.000 2.769 957 F HA 0.098 4.626 4.527 0.002 0.000 0.304 957 F C 0.829 176.567 175.800 -0.103 0.000 1.158 957 F CA -0.051 57.877 58.000 -0.120 0.000 1.398 957 F CB -0.469 38.399 39.000 -0.219 0.000 1.094 957 F HN -0.052 nan 8.300 nan 0.000 0.553 958 K N 1.190 121.607 120.400 0.028 0.000 3.619 958 K HA -0.180 4.141 4.320 0.002 0.000 0.275 958 K C -1.404 175.176 176.600 -0.033 0.000 0.993 958 K CA 0.332 56.609 56.287 -0.017 0.000 0.787 958 K CB -1.529 30.956 32.500 -0.025 0.000 1.431 958 K HN 0.437 nan 8.250 nan 0.000 0.451 959 L N -0.083 121.111 121.223 -0.049 0.000 2.251 959 L HA 0.661 5.002 4.340 0.002 0.000 0.244 959 L C -0.424 176.379 176.870 -0.112 0.000 1.095 959 L CA -1.365 53.418 54.840 -0.095 0.000 0.910 959 L CB 2.066 44.055 42.059 -0.117 0.000 1.516 959 L HN 0.230 nan 8.230 nan 0.000 0.429 960 K N 0.436 120.753 120.400 -0.139 0.000 2.587 960 K HA 0.554 4.875 4.320 0.002 0.000 0.256 960 K C -1.232 175.273 176.600 -0.158 0.000 0.974 960 K CA -0.493 55.709 56.287 -0.141 0.000 0.855 960 K CB 1.821 34.244 32.500 -0.129 0.000 1.292 960 K HN 0.681 nan 8.250 nan 0.000 0.444 961 A N 3.955 126.642 122.820 -0.221 0.000 2.584 961 A HA 0.206 4.527 4.320 0.002 0.000 0.239 961 A C -0.338 177.187 177.584 -0.099 0.000 1.043 961 A CA 0.270 52.122 52.037 -0.308 0.000 0.756 961 A CB -0.544 17.986 19.000 -0.783 0.000 0.963 961 A HN 0.465 nan 8.150 nan 0.000 0.511 962 L N 1.915 123.181 121.223 0.073 0.000 2.322 962 L HA 0.614 4.955 4.340 0.002 0.000 0.279 962 L C 0.189 177.263 176.870 0.340 0.000 1.036 962 L CA -0.895 54.026 54.840 0.136 0.000 0.807 962 L CB 0.735 42.789 42.059 -0.008 0.000 1.226 962 L HN 0.667 nan 8.230 nan 0.000 0.433 963 D N 0.643 121.215 120.400 0.286 0.000 2.360 963 D HA 0.110 4.751 4.640 0.002 0.000 0.242 963 D C 1.060 177.583 176.300 0.372 0.000 1.184 963 D CA -0.289 53.895 54.000 0.307 0.000 0.930 963 D CB 0.892 41.824 40.800 0.220 0.000 1.161 963 D HN 0.557 nan 8.370 nan 0.000 0.447 964 L N 1.932 123.339 121.223 0.307 0.000 2.283 964 L HA -0.204 4.137 4.340 0.002 0.000 0.217 964 L C 1.823 178.853 176.870 0.267 0.000 1.104 964 L CA 2.017 57.019 54.840 0.269 0.000 0.772 964 L CB -0.727 41.430 42.059 0.162 0.000 0.899 964 L HN 0.592 nan 8.230 nan 0.000 0.439 965 T N -1.982 112.721 114.554 0.249 0.000 2.937 965 T HA -0.096 4.255 4.350 0.002 0.000 0.260 965 T C 1.707 176.558 174.700 0.252 0.000 1.051 965 T CA 1.140 63.376 62.100 0.226 0.000 1.141 965 T CB -0.053 68.939 68.868 0.207 0.000 0.879 965 T HN 0.465 nan 8.240 nan 0.000 0.459 966 Q N -0.595 119.376 119.800 0.284 0.000 2.311 966 Q HA 0.033 4.375 4.340 0.002 0.000 0.203 966 Q C 1.752 177.825 176.000 0.121 0.000 0.954 966 Q CA 0.695 56.643 55.803 0.241 0.000 0.885 966 Q CB -0.059 28.835 28.738 0.260 0.000 0.963 966 Q HN 0.578 nan 8.270 nan 0.000 0.471 967 W N 0.668 122.052 121.300 0.140 0.000 2.409 967 W HA -0.021 4.641 4.660 0.002 0.000 0.299 967 W C 1.578 178.135 176.519 0.064 0.000 1.203 967 W CA 0.610 58.025 57.345 0.117 0.000 1.298 967 W CB 0.076 29.636 29.460 0.166 0.000 1.127 967 W HN 0.053 nan 8.180 nan 0.000 0.528 968 L N 0.230 121.641 121.223 0.313 0.000 2.450 968 L HA -0.209 4.133 4.340 0.002 0.000 0.224 968 L C 2.197 179.110 176.870 0.072 0.000 1.149 968 L CA 0.610 55.559 54.840 0.182 0.000 0.816 968 L CB -0.518 41.629 42.059 0.145 0.000 0.932 968 L HN 0.097 nan 8.230 nan 0.000 0.449 969 M N -1.008 118.593 119.600 0.002 0.000 2.447 969 M HA -0.037 4.444 4.480 0.002 0.000 0.264 969 M C 1.719 177.898 176.300 -0.201 0.000 1.095 969 M CA 1.453 56.634 55.300 -0.199 0.000 1.125 969 M CB -0.038 32.305 32.600 -0.429 0.000 1.389 969 M HN -0.057 nan 8.290 nan 0.000 0.459 970 V N -0.356 119.504 119.914 -0.090 0.000 2.302 970 V HA -0.179 3.943 4.120 0.002 0.000 0.243 970 V C 2.196 178.295 176.094 0.008 0.000 1.036 970 V CA 1.141 63.393 62.300 -0.080 0.000 1.020 970 V CB -0.969 30.802 31.823 -0.086 0.000 0.657 970 V HN 0.357 nan 8.190 nan 0.000 0.453 971 L N 0.331 121.609 121.223 0.092 0.000 1.989 971 L HA -0.192 4.150 4.340 0.002 0.000 0.211 971 L C 2.335 179.233 176.870 0.046 0.000 1.071 971 L CA 1.946 56.841 54.840 0.091 0.000 0.749 971 L CB -0.960 41.169 42.059 0.117 0.000 0.890 971 L HN 0.252 nan 8.230 nan 0.000 0.431 972 K N -0.935 119.476 120.400 0.018 0.000 2.519 972 K HA -0.095 4.226 4.320 0.002 0.000 0.196 972 K C 1.518 178.113 176.600 -0.008 0.000 1.041 972 K CA 0.521 56.807 56.287 -0.001 0.000 0.954 972 K CB 0.051 32.536 32.500 -0.025 0.000 0.774 972 K HN 0.218 nan 8.250 nan 0.000 0.480 973 I N -0.742 119.817 120.570 -0.017 0.000 4.323 973 I HA 0.026 4.197 4.170 0.002 0.000 0.328 973 I C 0.967 177.124 176.117 0.067 0.000 1.310 973 I CA 0.796 62.092 61.300 -0.005 0.000 1.186 973 I CB 0.601 38.531 38.000 -0.117 0.000 1.130 973 I HN -0.102 nan 8.210 nan 0.000 0.411 974 S N 0.513 116.250 115.700 0.061 0.000 2.510 974 S HA 0.137 4.609 4.470 0.002 0.000 0.230 974 S C 1.755 176.421 174.600 0.110 0.000 1.066 974 S CA 0.063 58.317 58.200 0.090 0.000 0.941 974 S CB 0.295 63.529 63.200 0.057 0.000 0.829 974 S HN 0.168 nan 8.310 nan 0.000 0.530 975 L N 2.640 123.909 121.223 0.077 0.000 2.129 975 L HA -0.062 4.279 4.340 0.002 0.000 0.212 975 L C -0.890 175.998 176.870 0.032 0.000 1.087 975 L CA 1.753 56.626 54.840 0.054 0.000 0.757 975 L CB -2.505 39.580 42.059 0.044 0.000 0.896 975 L HN 0.270 nan 8.230 nan 0.000 0.434 976 P HA -0.095 nan 4.420 nan 0.000 0.231 976 P C 1.872 179.065 177.300 -0.178 0.000 1.158 976 P CA 0.695 63.756 63.100 -0.065 0.000 0.763 976 P CB 0.059 31.728 31.700 -0.051 0.000 0.805 977 V N -0.097 119.797 119.914 -0.033 0.000 2.548 977 V HA -0.152 3.969 4.120 0.002 0.000 0.249 977 V C 2.218 178.281 176.094 -0.050 0.000 1.055 977 V CA 1.184 63.463 62.300 -0.035 0.000 1.065 977 V CB -0.745 31.161 31.823 0.138 0.000 0.681 977 V HN -0.108 nan 8.190 nan 0.000 0.462 978 I N 1.056 121.613 120.570 -0.022 0.000 2.163 978 I HA -0.063 4.108 4.170 0.002 0.000 0.240 978 I C 2.768 178.864 176.117 -0.035 0.000 1.081 978 I CA 1.760 63.051 61.300 -0.014 0.000 1.353 978 I CB -2.208 35.792 38.000 0.000 0.000 1.054 978 I HN 0.368 nan 8.210 nan 0.000 0.407 979 G N 1.619 110.386 108.800 -0.056 0.000 2.476 979 G HA2 -0.287 3.674 3.960 0.002 0.000 0.218 979 G HA3 -0.287 3.674 3.960 0.002 0.000 0.218 979 G C 1.779 176.631 174.900 -0.080 0.000 1.164 979 G CA 1.103 46.164 45.100 -0.064 0.000 0.768 979 G HN 0.361 nan 8.290 nan 0.000 0.560 980 L N 0.822 121.959 121.223 -0.143 0.000 2.012 980 L HA -0.046 4.295 4.340 0.002 0.000 0.210 980 L C 2.150 178.978 176.870 -0.069 0.000 1.073 980 L CA 2.848 57.597 54.840 -0.151 0.000 0.748 980 L CB -0.751 41.138 42.059 -0.284 0.000 0.891 980 L HN 0.217 nan 8.230 nan 0.000 0.431 981 D N -0.836 119.532 120.400 -0.054 0.000 2.123 981 D HA -0.219 4.423 4.640 0.002 0.000 0.200 981 D C 2.099 178.427 176.300 0.047 0.000 0.976 981 D CA 1.049 55.044 54.000 -0.007 0.000 0.831 981 D CB -0.034 40.765 40.800 -0.003 0.000 0.974 981 D HN 0.462 nan 8.370 nan 0.000 0.469 982 E N 0.045 120.266 120.200 0.034 0.000 2.219 982 E HA -0.159 4.192 4.350 0.002 0.000 0.198 982 E C 1.984 178.653 176.600 0.114 0.000 0.998 982 E CA 0.966 57.405 56.400 0.065 0.000 0.818 982 E CB -0.338 29.381 29.700 0.032 0.000 0.741 982 E HN 0.463 nan 8.360 nan 0.000 0.477 983 I N -0.524 120.100 120.570 0.090 0.000 2.277 983 I HA -0.204 3.968 4.170 0.002 0.000 0.243 983 I C 2.161 178.428 176.117 0.250 0.000 1.094 983 I CA 0.604 61.981 61.300 0.127 0.000 1.393 983 I CB -0.197 37.837 38.000 0.057 0.000 1.078 983 I HN 0.117 nan 8.210 nan 0.000 0.417 984 L N 0.639 122.002 121.223 0.233 0.000 2.079 984 L HA -0.228 4.113 4.340 0.002 0.000 0.210 984 L C 2.512 179.646 176.870 0.439 0.000 1.081 984 L CA 1.466 56.534 54.840 0.381 0.000 0.752 984 L CB -0.604 41.579 42.059 0.206 0.000 0.896 984 L HN 0.187 nan 8.230 nan 0.000 0.433 985 K N -0.659 119.918 120.400 0.294 0.000 2.097 985 K HA -0.198 4.123 4.320 0.002 0.000 0.206 985 K C 2.093 178.833 176.600 0.234 0.000 1.049 985 K CA 1.444 57.882 56.287 0.250 0.000 0.933 985 K CB -0.235 32.368 32.500 0.171 0.000 0.717 985 K HN 0.128 nan 8.250 nan 0.000 0.442 986 F N 1.836 121.858 119.950 0.121 0.000 2.146 986 F HA -0.130 4.398 4.527 0.001 0.000 0.298 986 F C 1.924 177.779 175.800 0.092 0.000 1.096 986 F CA 1.147 59.198 58.000 0.085 0.000 1.275 986 F CB -0.070 38.970 39.000 0.066 0.000 1.008 986 F HN -0.117 nan 8.300 nan 0.000 0.480 987 I N 0.002 120.762 120.570 0.317 0.000 2.163 987 I HA -0.354 3.817 4.170 0.002 0.000 0.243 987 I C 2.615 178.716 176.117 -0.026 0.000 1.085 987 I CA 1.389 62.804 61.300 0.192 0.000 1.347 987 I CB -0.963 37.213 38.000 0.293 0.000 1.044 987 I HN 0.227 nan 8.210 nan 0.000 0.408 988 A N 0.537 123.349 122.820 -0.013 0.000 1.874 988 A HA -0.164 4.157 4.320 0.002 0.000 0.214 988 A C 2.401 179.907 177.584 -0.131 0.000 1.189 988 A CA 1.109 53.041 52.037 -0.174 0.000 0.615 988 A CB -0.565 18.475 19.000 0.066 0.000 0.830 988 A HN 0.311 nan 8.150 nan 0.000 0.443 989 R N -0.596 119.858 120.500 -0.076 0.000 2.341 989 R HA -0.080 4.261 4.340 0.002 0.000 0.213 989 R C 0.928 177.106 176.300 -0.204 0.000 1.082 989 R CA 1.444 57.474 56.100 -0.118 0.000 1.017 989 R CB -0.083 30.162 30.300 -0.092 0.000 0.860 989 R HN 0.576 nan 8.270 nan 0.000 0.473 990 N N -1.612 116.937 118.700 -0.252 0.000 2.559 990 N HA -0.078 4.663 4.740 0.002 0.000 0.247 990 N C 0.753 176.198 175.510 -0.108 0.000 1.063 990 N CA 0.368 53.263 53.050 -0.259 0.000 0.876 990 N CB -0.119 38.056 38.487 -0.519 0.000 1.608 990 N HN 0.114 nan 8.380 nan 0.000 0.467 991 Y N 1.761 121.931 120.300 -0.217 0.000 2.497 991 Y HA 0.357 4.909 4.550 0.002 0.000 0.265 991 Y C 1.753 177.525 175.900 -0.214 0.000 1.111 991 Y CA 0.430 58.423 58.100 -0.179 0.000 1.288 991 Y CB 0.073 38.445 38.460 -0.147 0.000 1.082 991 Y HN -0.095 nan 8.280 nan 0.000 0.536 992 L N -0.153 120.833 121.223 -0.394 0.000 2.286 992 L HA 0.119 4.460 4.340 0.002 0.000 0.203 992 L C 0.249 176.923 176.870 -0.327 0.000 1.068 992 L CA 0.457 55.007 54.840 -0.483 0.000 0.811 992 L CB -0.031 41.694 42.059 -0.556 0.000 0.989 992 L HN 0.075 nan 8.230 nan 0.000 0.467 993 E N -0.033 120.027 120.200 -0.233 0.000 2.222 993 E HA 0.641 4.992 4.350 0.002 0.000 0.267 993 E C -0.522 175.996 176.600 -0.138 0.000 0.884 993 E CA -0.649 55.654 56.400 -0.161 0.000 0.764 993 E CB 2.395 32.025 29.700 -0.116 0.000 1.169 993 E HN 0.060 nan 8.360 nan 0.000 0.413 994 G N 0.000 108.731 108.800 -0.115 0.000 5.446 994 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 994 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 994 G CA 0.000 45.045 45.100 -0.092 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925