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 2pgn_1_A DATA FIRST_RESID 2 DATA SEQUENCE AIKRGADLIV EALEEYGTEQ VVGFIGHTSH FVADAFSKSH LGKRVINPAT DATA SEQUENCE ELGGAWMVNG YNYVKDRSAA VGAWHCVGNL LLHAAMQEAR TGRIPAVHIG DATA SEQUENCE LNSDGRLAGR SEAAQQVPWQ SFTPIARSTQ RVERLDKVGE AIHEAFRVAE DATA SEQUENCE GHPAGPAYVD IPFDLTADQI DDKALVPRGA TRAKSVLHAP NEDVREAAAQ DATA SEQUENCE LVAAKNPVIL AGGGVARSGG SEALLKLAEM VGVPVVTTST GAGVFPETHA DATA SEQUENCE LAMGSAGFCG WKSANDMMAA ADFVLVLGSR LSDWGIAQGY ITKMPKFVHV DATA SEQUENCE DTDPAVLGTF YFPLLSVVAD AKTFMEQLIE VLPGTSGFKA VRYQERENFR DATA SEQUENCE QATEFRAAWD GWVREQESGD GMPASMFRAM AEVRKVQRPE DIIVTDIGNH DATA SEQUENCE TLPMFGGAIL QRPRRLVTSM AEGILGCGFP MALGAQLAEP NSRVFLGTGD DATA SEQUENCE GALYYHFNEF RVAVEHKLPV ITMVFTNESY GANWTLMNHQ FGQNNWTEFM DATA SEQUENCE NPDWVGIAKA FGAYGESVRE TGDIAGALQR AIDSGKPALI EIPVSKTQGL DATA SEQUENCE ASDPVGGVGP NLLLKGREIP VDTGGSMYPG ENLLHLK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.566 177.584 -0.030 0.000 1.274 2 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 2 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 3 I N 2.428 122.981 120.570 -0.028 0.000 2.618 3 I HA 0.266 4.436 4.170 -0.001 0.000 0.284 3 I C 0.283 176.379 176.117 -0.035 0.000 1.146 3 I CA 0.636 61.917 61.300 -0.031 0.000 1.425 3 I CB 0.108 38.092 38.000 -0.027 0.000 1.383 3 I HN 0.492 nan 8.210 nan 0.000 0.562 4 K N 6.483 126.858 120.400 -0.042 0.000 2.469 4 K HA 0.467 4.787 4.320 -0.001 0.000 0.254 4 K C -0.413 176.155 176.600 -0.054 0.000 0.939 4 K CA -0.994 55.266 56.287 -0.046 0.000 0.812 4 K CB 2.734 35.202 32.500 -0.053 0.000 1.301 4 K HN 0.474 nan 8.250 nan 0.000 0.433 5 R N -0.111 120.357 120.500 -0.053 0.000 2.643 5 R HA 0.076 4.415 4.340 -0.001 0.000 0.270 5 R C 1.583 177.835 176.300 -0.082 0.000 1.061 5 R CA 0.327 56.385 56.100 -0.071 0.000 1.107 5 R CB 0.228 30.499 30.300 -0.049 0.000 0.999 5 R HN 0.908 nan 8.270 nan 0.000 0.460 6 G N 1.355 110.093 108.800 -0.103 0.000 2.442 6 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.219 6 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.219 6 G C 1.400 176.252 174.900 -0.080 0.000 1.141 6 G CA 0.952 45.997 45.100 -0.091 0.000 0.763 6 G HN 0.691 nan 8.290 nan 0.000 0.554 7 A N 1.238 124.019 122.820 -0.065 0.000 1.908 7 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 7 A C 2.098 179.608 177.584 -0.124 0.000 1.181 7 A CA 2.113 54.121 52.037 -0.049 0.000 0.627 7 A CB -0.439 18.599 19.000 0.062 0.000 0.818 7 A HN 0.328 nan 8.150 nan 0.000 0.445 8 D N 0.040 120.380 120.400 -0.100 0.000 2.144 8 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 8 D C 1.952 178.171 176.300 -0.137 0.000 0.984 8 D CA 1.144 55.069 54.000 -0.126 0.000 0.834 8 D CB -0.318 40.431 40.800 -0.085 0.000 0.955 8 D HN 0.481 nan 8.370 nan 0.000 0.465 9 L N 0.540 121.698 121.223 -0.109 0.000 2.093 9 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 9 L C 2.573 179.380 176.870 -0.105 0.000 1.085 9 L CA 0.546 55.328 54.840 -0.097 0.000 0.755 9 L CB -0.283 41.732 42.059 -0.073 0.000 0.904 9 L HN -0.022 nan 8.230 nan 0.000 0.435 10 I N -0.840 119.661 120.570 -0.115 0.000 2.163 10 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 10 I C 2.448 178.465 176.117 -0.167 0.000 1.085 10 I CA 1.188 62.422 61.300 -0.110 0.000 1.347 10 I CB -0.296 37.641 38.000 -0.105 0.000 1.044 10 I HN 0.003 nan 8.210 nan 0.000 0.408 11 V N 0.626 120.359 119.914 -0.302 0.000 2.343 11 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 11 V C 2.345 178.323 176.094 -0.194 0.000 1.051 11 V CA 1.937 64.010 62.300 -0.378 0.000 1.036 11 V CB -0.701 30.785 31.823 -0.562 0.000 0.654 11 V HN 0.439 nan 8.190 nan 0.000 0.451 12 E N 0.291 120.385 120.200 -0.177 0.000 2.085 12 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 12 E C 2.337 178.803 176.600 -0.223 0.000 0.994 12 E CA 1.393 57.694 56.400 -0.165 0.000 0.801 12 E CB -0.355 29.260 29.700 -0.140 0.000 0.743 12 E HN 0.611 nan 8.360 nan 0.000 0.453 13 A N 1.228 123.926 122.820 -0.204 0.000 1.877 13 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 13 A C 2.219 179.583 177.584 -0.367 0.000 1.186 13 A CA 1.053 52.915 52.037 -0.292 0.000 0.620 13 A CB -0.700 18.287 19.000 -0.023 0.000 0.822 13 A HN 0.127 nan 8.150 nan 0.000 0.443 14 L N -0.648 120.508 121.223 -0.110 0.000 2.042 14 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 14 L C 2.627 179.406 176.870 -0.151 0.000 1.076 14 L CA 1.872 56.703 54.840 -0.016 0.000 0.749 14 L CB -0.678 41.474 42.059 0.155 0.000 0.893 14 L HN 0.492 nan 8.230 nan 0.000 0.432 15 E N -0.211 119.896 120.200 -0.155 0.000 2.047 15 E HA -0.265 4.085 4.350 -0.001 0.000 0.191 15 E C 2.064 178.509 176.600 -0.258 0.000 0.987 15 E CA 1.139 57.455 56.400 -0.141 0.000 0.799 15 E CB -0.031 29.611 29.700 -0.096 0.000 0.752 15 E HN 0.322 nan 8.360 nan 0.000 0.449 16 E N 0.383 120.323 120.200 -0.433 0.000 2.130 16 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 16 E C 0.863 177.154 176.600 -0.515 0.000 0.998 16 E CA 1.269 57.344 56.400 -0.541 0.000 0.806 16 E CB -0.105 29.116 29.700 -0.799 0.000 0.738 16 E HN 0.332 nan 8.360 nan 0.000 0.459 17 Y N -1.188 118.891 120.300 -0.368 0.000 2.493 17 Y HA 0.414 4.964 4.550 -0.001 0.000 0.275 17 Y C 1.392 176.984 175.900 -0.512 0.000 1.183 17 Y CA 0.054 57.796 58.100 -0.597 0.000 1.258 17 Y CB 0.380 38.098 38.460 -1.236 0.000 1.108 17 Y HN 0.153 nan 8.280 nan 0.000 0.521 18 G N -0.314 108.365 108.800 -0.202 0.000 2.134 18 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.209 18 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.209 18 G C 0.152 175.055 174.900 0.005 0.000 0.993 18 G CA -0.001 45.061 45.100 -0.063 0.000 0.669 18 G HN 0.247 nan 8.290 nan 0.000 0.519 19 T N 0.713 115.267 114.554 0.001 0.000 2.867 19 T HA 0.342 4.692 4.350 -0.001 0.000 0.297 19 T C 1.261 175.976 174.700 0.025 0.000 0.989 19 T CA 0.949 63.089 62.100 0.067 0.000 1.159 19 T CB 1.254 70.186 68.868 0.106 0.000 0.928 19 T HN 0.450 nan 8.240 nan 0.000 0.538 20 E N 1.358 121.560 120.200 0.005 0.000 2.372 20 E HA 0.074 4.424 4.350 -0.001 0.000 0.201 20 E C 0.536 177.094 176.600 -0.071 0.000 0.938 20 E CA 0.074 56.478 56.400 0.008 0.000 0.944 20 E CB 0.542 30.300 29.700 0.097 0.000 0.937 20 E HN 0.416 nan 8.360 nan 0.000 0.495 21 Q N 0.778 120.450 119.800 -0.212 0.000 2.271 21 Q HA 0.284 4.624 4.340 -0.001 0.000 0.268 21 Q C -1.855 173.928 176.000 -0.360 0.000 1.021 21 Q CA -0.461 55.144 55.803 -0.331 0.000 0.802 21 Q CB 2.121 30.471 28.738 -0.647 0.000 1.282 21 Q HN -0.118 nan 8.270 nan 0.000 0.431 22 V N 4.170 123.864 119.914 -0.368 0.000 2.398 22 V HA 0.584 4.704 4.120 -0.001 0.000 0.286 22 V C -0.578 175.268 176.094 -0.414 0.000 1.026 22 V CA -0.757 61.266 62.300 -0.462 0.000 0.868 22 V CB 1.780 33.152 31.823 -0.753 0.000 0.982 22 V HN 0.662 nan 8.190 nan 0.000 0.443 23 V N 4.271 123.941 119.914 -0.406 0.000 2.328 23 V HA 0.809 4.929 4.120 -0.001 0.000 0.278 23 V C 0.619 176.352 176.094 -0.601 0.000 1.021 23 V CA -0.161 61.936 62.300 -0.338 0.000 0.838 23 V CB 1.179 32.932 31.823 -0.116 0.000 0.999 23 V HN 0.978 nan 8.190 nan 0.000 0.447 24 G N 3.108 111.654 108.800 -0.423 0.000 2.571 24 G HA2 0.731 4.691 3.960 -0.001 0.000 0.304 24 G HA3 0.731 4.691 3.960 -0.001 0.000 0.304 24 G C -1.823 173.047 174.900 -0.050 0.000 1.314 24 G CA -0.542 44.319 45.100 -0.397 0.000 0.975 24 G HN 0.455 nan 8.290 nan 0.000 0.485 25 F N 1.516 121.492 119.950 0.043 0.000 2.518 25 F HA 0.551 5.077 4.527 -0.001 0.000 0.323 25 F C -0.163 175.726 175.800 0.148 0.000 1.129 25 F CA -0.987 57.140 58.000 0.211 0.000 0.920 25 F CB 1.892 41.161 39.000 0.448 0.000 1.160 25 F HN 0.384 nan 8.300 nan 0.000 0.440 26 I N 4.071 124.809 120.570 0.279 0.000 2.638 26 I HA 0.671 4.841 4.170 -0.001 0.000 0.286 26 I C 0.168 176.348 176.117 0.105 0.000 1.088 26 I CA 0.328 61.740 61.300 0.187 0.000 1.397 26 I CB 0.890 38.942 38.000 0.087 0.000 1.414 26 I HN 0.634 nan 8.210 nan 0.000 0.566 27 G N 5.080 113.770 108.800 -0.184 0.000 2.466 27 G HA2 0.146 4.105 3.960 -0.001 0.000 0.291 27 G HA3 0.146 4.105 3.960 -0.001 0.000 0.291 27 G C 0.213 174.632 174.900 -0.802 0.000 1.460 27 G CA -0.066 44.492 45.100 -0.904 0.000 0.791 27 G HN 0.784 nan 8.290 nan 0.000 0.505 28 H N -1.168 117.418 119.070 -0.807 0.000 2.457 28 H HA -0.150 4.406 4.556 -0.001 0.000 0.297 28 H C 2.125 177.023 175.328 -0.717 0.000 1.092 28 H CA 2.196 57.563 56.048 -1.135 0.000 1.309 28 H CB -0.803 28.617 29.762 -0.570 0.000 1.382 28 H HN 0.614 nan 8.280 nan 0.000 0.535 29 T N -0.322 113.733 114.554 -0.832 0.000 2.995 29 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 29 T C 1.940 176.597 174.700 -0.072 0.000 1.091 29 T CA 1.056 62.698 62.100 -0.763 0.000 1.128 29 T CB -0.470 68.020 68.868 -0.631 0.000 0.891 29 T HN 0.501 nan 8.240 nan 0.000 0.492 30 S N -0.580 115.144 115.700 0.039 0.000 2.557 30 S HA 0.225 4.695 4.470 -0.001 0.000 0.223 30 S C 1.336 176.072 174.600 0.226 0.000 0.969 30 S CA -0.528 57.776 58.200 0.173 0.000 0.927 30 S CB -0.773 62.543 63.200 0.193 0.000 0.806 30 S HN 0.698 nan 8.310 nan 0.000 0.489 31 H N 0.684 119.795 119.070 0.067 0.000 2.319 31 H HA -0.071 4.485 4.556 -0.001 0.000 0.299 31 H C 1.257 176.551 175.328 -0.057 0.000 1.092 31 H CA 1.972 57.988 56.048 -0.053 0.000 1.302 31 H CB -0.202 29.442 29.762 -0.197 0.000 1.373 31 H HN 0.479 nan 8.280 nan 0.000 0.497 32 F N 0.002 120.114 119.950 0.269 0.000 2.134 32 F HA -0.205 4.322 4.527 -0.001 0.000 0.299 32 F C 2.556 178.410 175.800 0.089 0.000 1.097 32 F CA 0.650 58.745 58.000 0.158 0.000 1.264 32 F CB -0.678 38.410 39.000 0.146 0.000 1.001 32 F HN -0.057 nan 8.300 nan 0.000 0.479 33 V N 0.160 120.242 119.914 0.279 0.000 2.295 33 V HA -0.321 3.798 4.120 -0.001 0.000 0.246 33 V C 2.606 178.809 176.094 0.182 0.000 1.049 33 V CA 1.826 64.208 62.300 0.138 0.000 1.024 33 V CB -1.351 30.572 31.823 0.165 0.000 0.648 33 V HN 0.380 nan 8.190 nan 0.000 0.447 34 A N 0.045 123.001 122.820 0.227 0.000 1.902 34 A HA -0.324 3.996 4.320 -0.001 0.000 0.217 34 A C 2.042 179.712 177.584 0.143 0.000 1.181 34 A CA 2.320 54.485 52.037 0.213 0.000 0.623 34 A CB -0.772 18.306 19.000 0.129 0.000 0.818 34 A HN 0.625 nan 8.150 nan 0.000 0.443 35 D N -0.458 119.992 120.400 0.083 0.000 2.097 35 D HA -0.052 4.587 4.640 -0.001 0.000 0.195 35 D C 2.052 178.378 176.300 0.042 0.000 0.989 35 D CA 1.718 55.742 54.000 0.041 0.000 0.827 35 D CB -0.184 40.625 40.800 0.015 0.000 0.966 35 D HN 0.352 nan 8.370 nan 0.000 0.456 36 A N -0.505 122.331 122.820 0.026 0.000 1.877 36 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 36 A C 2.179 179.712 177.584 -0.084 0.000 1.186 36 A CA 1.133 53.132 52.037 -0.064 0.000 0.620 36 A CB -1.278 17.634 19.000 -0.146 0.000 0.822 36 A HN 0.399 nan 8.150 nan 0.000 0.443 37 F N 1.141 121.085 119.950 -0.010 0.000 2.202 37 F HA -0.223 4.304 4.527 -0.001 0.000 0.301 37 F C 2.934 178.713 175.800 -0.035 0.000 1.082 37 F CA 1.458 59.441 58.000 -0.029 0.000 1.313 37 F CB -0.084 38.896 39.000 -0.034 0.000 1.024 37 F HN 0.390 nan 8.300 nan 0.000 0.495 38 S N 0.035 115.822 115.700 0.145 0.000 2.442 38 S HA -0.161 4.309 4.470 -0.001 0.000 0.236 38 S C 1.513 176.127 174.600 0.023 0.000 1.007 38 S CA 0.857 59.099 58.200 0.069 0.000 0.965 38 S CB -0.425 62.800 63.200 0.042 0.000 0.773 38 S HN 0.424 nan 8.310 nan 0.000 0.504 39 K N 1.607 122.008 120.400 0.001 0.000 2.404 39 K HA 0.177 4.496 4.320 -0.001 0.000 0.194 39 K C 0.642 177.182 176.600 -0.100 0.000 1.023 39 K CA 0.314 56.573 56.287 -0.047 0.000 1.094 39 K CB 0.392 32.863 32.500 -0.048 0.000 0.841 39 K HN 0.546 nan 8.250 nan 0.000 0.523 40 S N -0.996 114.665 115.700 -0.066 0.000 2.664 40 S HA 0.219 4.689 4.470 -0.001 0.000 0.304 40 S C 0.601 175.140 174.600 -0.102 0.000 1.099 40 S CA -0.712 57.426 58.200 -0.104 0.000 1.003 40 S CB 1.200 64.399 63.200 -0.002 0.000 1.092 40 S HN 0.189 nan 8.310 nan 0.000 0.525 41 H N 0.543 119.636 119.070 0.039 0.000 2.518 41 H HA 0.127 4.683 4.556 -0.001 0.000 0.289 41 H C 1.323 176.674 175.328 0.038 0.000 1.051 41 H CA 1.338 57.405 56.048 0.032 0.000 1.280 41 H CB -0.304 29.467 29.762 0.016 0.000 1.380 41 H HN 0.418 nan 8.280 nan 0.000 0.566 42 L N -0.456 120.860 121.223 0.155 0.000 2.291 42 L HA -0.045 4.295 4.340 -0.001 0.000 0.214 42 L C 2.676 179.568 176.870 0.036 0.000 1.120 42 L CA 0.616 55.514 54.840 0.096 0.000 0.799 42 L CB -0.318 41.839 42.059 0.163 0.000 0.925 42 L HN 0.403 nan 8.230 nan 0.000 0.446 43 G N -0.199 108.656 108.800 0.092 0.000 2.422 43 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.218 43 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.218 43 G C 1.766 176.676 174.900 0.016 0.000 1.146 43 G CA 0.351 45.486 45.100 0.057 0.000 0.769 43 G HN 0.092 nan 8.290 nan 0.000 0.547 44 K N 0.486 120.909 120.400 0.038 0.000 2.057 44 K HA 0.014 4.333 4.320 -0.001 0.000 0.207 44 K C 2.121 178.741 176.600 0.034 0.000 1.049 44 K CA 0.758 57.069 56.287 0.040 0.000 0.931 44 K CB -0.126 32.410 32.500 0.059 0.000 0.714 44 K HN 0.240 nan 8.250 nan 0.000 0.440 45 R N 0.709 121.217 120.500 0.012 0.000 2.515 45 R HA 0.160 4.500 4.340 -0.001 0.000 0.294 45 R C -0.120 176.135 176.300 -0.074 0.000 1.021 45 R CA -0.271 55.833 56.100 0.006 0.000 1.081 45 R CB 0.547 30.851 30.300 0.006 0.000 1.263 45 R HN -0.139 nan 8.270 nan 0.000 0.557 46 V N 2.694 122.543 119.914 -0.107 0.000 2.644 46 V HA -0.093 4.027 4.120 -0.001 0.000 0.305 46 V C 0.706 176.712 176.094 -0.146 0.000 1.053 46 V CA 0.618 62.802 62.300 -0.193 0.000 1.186 46 V CB 0.332 32.018 31.823 -0.228 0.000 0.895 46 V HN 0.207 nan 8.190 nan 0.000 0.490 47 I N 4.822 125.268 120.570 -0.207 0.000 2.325 47 I HA 0.293 4.463 4.170 -0.001 0.000 0.291 47 I C 0.253 176.308 176.117 -0.103 0.000 1.019 47 I CA -0.116 61.077 61.300 -0.178 0.000 1.302 47 I CB 0.740 38.608 38.000 -0.221 0.000 1.401 47 I HN 0.657 nan 8.210 nan 0.000 0.485 48 N N 8.325 126.996 118.700 -0.048 0.000 2.609 48 N HA 0.321 5.061 4.740 -0.001 0.000 0.234 48 N C -2.412 173.060 175.510 -0.062 0.000 1.001 48 N CA -1.098 51.886 53.050 -0.110 0.000 0.926 48 N CB 1.168 39.559 38.487 -0.160 0.000 1.130 48 N HN 0.431 nan 8.380 nan 0.000 0.510 49 P HA 0.120 nan 4.420 nan 0.000 0.276 49 P C 0.234 177.639 177.300 0.174 0.000 1.252 49 P CA -0.363 62.824 63.100 0.144 0.000 0.802 49 P CB 1.238 33.097 31.700 0.265 0.000 1.035 50 A N 1.450 124.401 122.820 0.217 0.000 1.933 50 A HA 0.002 4.322 4.320 -0.001 0.000 0.218 50 A C 1.205 179.036 177.584 0.412 0.000 1.175 50 A CA 2.098 54.293 52.037 0.264 0.000 0.628 50 A CB -1.218 17.912 19.000 0.216 0.000 0.814 50 A HN 0.779 nan 8.150 nan 0.000 0.444 51 T N -5.013 109.781 114.554 0.401 0.000 2.883 51 T HA 0.554 4.903 4.350 -0.001 0.000 0.296 51 T C 0.095 174.957 174.700 0.270 0.000 1.117 51 T CA -0.187 62.115 62.100 0.338 0.000 1.006 51 T CB 1.593 70.589 68.868 0.212 0.000 1.191 51 T HN 0.053 nan 8.240 nan 0.000 0.508 52 E N 0.192 120.396 120.200 0.007 0.000 2.150 52 E HA 0.032 4.382 4.350 -0.001 0.000 0.193 52 E C 1.763 178.147 176.600 -0.359 0.000 0.985 52 E CA 0.686 56.906 56.400 -0.300 0.000 0.814 52 E CB -0.231 29.094 29.700 -0.626 0.000 0.752 52 E HN 0.506 nan 8.360 nan 0.000 0.466 53 L N 0.317 121.441 121.223 -0.164 0.000 2.056 53 L HA 0.049 4.388 4.340 -0.001 0.000 0.207 53 L C 2.070 178.884 176.870 -0.093 0.000 1.078 53 L CA 2.152 56.912 54.840 -0.134 0.000 0.749 53 L CB -1.040 41.072 42.059 0.088 0.000 0.901 53 L HN 0.167 nan 8.230 nan 0.000 0.433 54 G N -0.836 107.964 108.800 0.000 0.000 2.446 54 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.217 54 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.217 54 G C 1.532 176.483 174.900 0.084 0.000 1.168 54 G CA 0.670 45.743 45.100 -0.046 0.000 0.771 54 G HN 0.591 nan 8.290 nan 0.000 0.551 55 G N 0.989 109.886 108.800 0.163 0.000 2.422 55 G HA2 0.045 4.005 3.960 -0.001 0.000 0.218 55 G HA3 0.045 4.005 3.960 -0.001 0.000 0.218 55 G C 2.033 177.119 174.900 0.309 0.000 1.146 55 G CA 1.513 46.800 45.100 0.310 0.000 0.769 55 G HN 0.684 nan 8.290 nan 0.000 0.547 56 A N 0.048 122.936 122.820 0.113 0.000 1.969 56 A HA -0.000 4.319 4.320 -0.001 0.000 0.218 56 A C 2.174 179.758 177.584 0.001 0.000 1.169 56 A CA 1.228 53.304 52.037 0.065 0.000 0.635 56 A CB -0.647 18.177 19.000 -0.293 0.000 0.810 56 A HN 0.562 nan 8.150 nan 0.000 0.445 57 W N -0.285 121.013 121.300 -0.003 0.000 2.358 57 W HA -0.152 4.508 4.660 -0.000 0.000 0.303 57 W C 2.498 179.025 176.519 0.014 0.000 1.208 57 W CA 1.142 58.473 57.345 -0.024 0.000 1.274 57 W CB -0.304 29.081 29.460 -0.125 0.000 1.138 57 W HN 0.254 nan 8.180 nan 0.000 0.515 58 M N -0.446 119.300 119.600 0.242 0.000 2.117 58 M HA -0.231 4.249 4.480 -0.001 0.000 0.262 58 M C 1.879 178.292 176.300 0.188 0.000 1.065 58 M CA 1.415 56.814 55.300 0.165 0.000 1.114 58 M CB -1.088 31.574 32.600 0.103 0.000 1.361 58 M HN -0.161 nan 8.290 nan 0.000 0.408 59 V N 1.029 121.048 119.914 0.175 0.000 2.332 59 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 59 V C 2.024 178.225 176.094 0.179 0.000 1.055 59 V CA 1.857 64.232 62.300 0.124 0.000 1.038 59 V CB -0.909 30.977 31.823 0.105 0.000 0.651 59 V HN 0.475 nan 8.190 nan 0.000 0.450 60 N N 0.841 119.669 118.700 0.214 0.000 2.142 60 N HA -0.102 4.638 4.740 -0.001 0.000 0.186 60 N C 1.901 177.583 175.510 0.286 0.000 1.023 60 N CA 1.617 54.816 53.050 0.248 0.000 0.852 60 N CB -0.769 37.896 38.487 0.297 0.000 0.998 60 N HN 0.510 nan 8.380 nan 0.000 0.424 61 G N -0.509 108.453 108.800 0.270 0.000 2.418 61 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 61 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 61 G C 1.551 176.589 174.900 0.229 0.000 1.158 61 G CA 0.466 45.700 45.100 0.223 0.000 0.771 61 G HN 0.364 nan 8.290 nan 0.000 0.545 62 Y N 1.679 122.036 120.300 0.094 0.000 2.145 62 Y HA -0.159 4.391 4.550 -0.001 0.000 0.286 62 Y C 2.718 178.656 175.900 0.063 0.000 1.145 62 Y CA 1.940 60.074 58.100 0.057 0.000 1.148 62 Y CB 0.094 38.569 38.460 0.025 0.000 0.981 62 Y HN 0.151 nan 8.280 nan 0.000 0.507 63 N N -1.017 117.883 118.700 0.334 0.000 2.354 63 N HA -0.168 4.571 4.740 -0.001 0.000 0.179 63 N C 1.502 177.092 175.510 0.133 0.000 1.021 63 N CA 1.060 54.242 53.050 0.220 0.000 0.887 63 N CB -0.783 37.794 38.487 0.151 0.000 0.974 63 N HN 0.493 nan 8.380 nan 0.000 0.437 64 Y N 2.060 122.417 120.300 0.095 0.000 2.145 64 Y HA -0.196 4.354 4.550 -0.001 0.000 0.286 64 Y C 2.175 178.098 175.900 0.038 0.000 1.145 64 Y CA 1.433 59.573 58.100 0.066 0.000 1.148 64 Y CB -0.304 38.203 38.460 0.080 0.000 0.981 64 Y HN -0.048 nan 8.280 nan 0.000 0.507 65 V N -1.941 117.961 119.914 -0.020 0.000 2.871 65 V HA -0.074 4.046 4.120 -0.001 0.000 0.256 65 V C 1.811 177.828 176.094 -0.128 0.000 1.082 65 V CA 1.677 63.915 62.300 -0.102 0.000 1.105 65 V CB -0.422 31.390 31.823 -0.018 0.000 0.713 65 V HN 0.216 nan 8.190 nan 0.000 0.473 66 K N -0.749 119.605 120.400 -0.077 0.000 2.323 66 K HA 0.055 4.374 4.320 -0.001 0.000 0.197 66 K C 0.577 177.154 176.600 -0.038 0.000 1.043 66 K CA 0.656 56.921 56.287 -0.036 0.000 0.997 66 K CB -0.229 32.303 32.500 0.054 0.000 0.807 66 K HN 0.501 nan 8.250 nan 0.000 0.497 67 D N 1.394 121.748 120.400 -0.077 0.000 2.837 67 D HA -0.187 4.453 4.640 -0.001 0.000 0.230 67 D C -0.131 176.158 176.300 -0.018 0.000 1.152 67 D CA 1.139 55.093 54.000 -0.076 0.000 0.736 67 D CB -0.537 40.206 40.800 -0.095 0.000 1.084 67 D HN 0.523 nan 8.370 nan 0.000 0.429 68 R N -2.426 118.088 120.500 0.024 0.000 2.747 68 R HA 0.468 4.808 4.340 -0.001 0.000 0.272 68 R C -0.523 175.827 176.300 0.084 0.000 1.032 68 R CA -0.841 55.294 56.100 0.059 0.000 0.896 68 R CB 0.785 31.137 30.300 0.085 0.000 1.253 68 R HN -0.135 nan 8.270 nan 0.000 0.461 69 S N 0.138 115.897 115.700 0.100 0.000 3.697 69 S HA 0.238 4.707 4.470 -0.001 0.000 0.207 69 S C 0.983 175.673 174.600 0.151 0.000 1.459 69 S CA 0.168 58.400 58.200 0.053 0.000 1.122 69 S CB -0.413 62.704 63.200 -0.138 0.000 1.311 69 S HN 0.603 nan 8.310 nan 0.000 0.487 70 A N 1.914 124.818 122.820 0.140 0.000 1.969 70 A HA 0.439 4.759 4.320 -0.001 0.000 0.218 70 A C 1.245 178.769 177.584 -0.100 0.000 1.169 70 A CA 0.963 53.079 52.037 0.131 0.000 0.635 70 A CB -0.370 18.805 19.000 0.293 0.000 0.810 70 A HN 0.829 nan 8.150 nan 0.000 0.445 71 A N -0.106 122.556 122.820 -0.263 0.000 2.301 71 A HA 0.590 4.910 4.320 -0.001 0.000 0.312 71 A C -0.120 177.304 177.584 -0.266 0.000 1.182 71 A CA 0.068 51.823 52.037 -0.469 0.000 0.826 71 A CB 0.757 19.367 19.000 -0.650 0.000 1.134 71 A HN 1.296 nan 8.150 nan 0.000 0.501 72 V N 0.006 119.752 119.914 -0.279 0.000 2.876 72 V HA 0.947 5.066 4.120 -0.001 0.000 0.312 72 V C 0.189 176.061 176.094 -0.369 0.000 1.085 72 V CA -0.103 62.021 62.300 -0.292 0.000 0.945 72 V CB 1.442 33.170 31.823 -0.158 0.000 1.017 72 V HN 1.331 nan 8.190 nan 0.000 0.428 73 G N 1.604 110.141 108.800 -0.438 0.000 2.389 73 G HA2 0.801 4.761 3.960 -0.001 0.000 0.317 73 G HA3 0.801 4.761 3.960 -0.001 0.000 0.317 73 G C -0.420 174.004 174.900 -0.793 0.000 1.137 73 G CA -0.335 44.414 45.100 -0.585 0.000 0.870 73 G HN 1.833 nan 8.290 nan 0.000 0.496 74 A N 1.300 123.340 122.820 -1.299 0.000 2.414 74 A HA 0.687 5.006 4.320 -0.001 0.000 0.286 74 A C -1.557 175.663 177.584 -0.606 0.000 1.073 74 A CA -0.672 50.964 52.037 -0.669 0.000 0.727 74 A CB 0.673 19.531 19.000 -0.235 0.000 1.215 74 A HN 0.695 nan 8.150 nan 0.000 0.430 75 W N 1.254 122.653 121.300 0.164 0.000 2.781 75 W HA 0.498 5.158 4.660 -0.001 0.000 0.333 75 W C 0.208 176.826 176.519 0.166 0.000 1.047 75 W CA -0.708 56.745 57.345 0.180 0.000 1.236 75 W CB 1.101 30.651 29.460 0.149 0.000 1.394 75 W HN 0.889 nan 8.180 nan 0.000 0.466 76 H N 2.837 122.077 119.070 0.282 0.000 2.964 76 H HA 0.035 4.590 4.556 -0.001 0.000 0.328 76 H C 1.571 176.943 175.328 0.074 0.000 1.030 76 H CA 0.630 56.733 56.048 0.091 0.000 1.445 76 H CB 0.800 30.575 29.762 0.021 0.000 1.449 76 H HN 0.813 nan 8.280 nan 0.000 0.581 77 C N 2.956 122.044 119.300 -0.353 0.000 2.124 77 C HA -0.370 4.090 4.460 -0.001 0.000 0.221 77 C C 2.618 177.523 174.990 -0.142 0.000 1.044 77 C CA 2.361 61.212 59.018 -0.279 0.000 1.821 77 C CB -2.006 25.486 27.740 -0.414 0.000 1.461 77 C HN 0.922 nan 8.230 nan 0.000 0.350 78 V N 1.156 120.940 119.914 -0.216 0.000 2.913 78 V HA 0.249 4.369 4.120 -0.001 0.000 0.260 78 V C 2.557 178.614 176.094 -0.061 0.000 1.098 78 V CA 2.264 64.516 62.300 -0.081 0.000 1.121 78 V CB -2.005 29.781 31.823 -0.061 0.000 0.714 78 V HN 1.080 nan 8.190 nan 0.000 0.487 79 G N 0.813 109.574 108.800 -0.064 0.000 2.470 79 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.220 79 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.220 79 G C 1.374 176.176 174.900 -0.163 0.000 1.121 79 G CA 0.845 45.862 45.100 -0.138 0.000 0.766 79 G HN 0.577 nan 8.290 nan 0.000 0.553 80 N N 0.430 119.109 118.700 -0.035 0.000 2.364 80 N HA -0.028 4.711 4.740 -0.001 0.000 0.183 80 N C 2.040 177.569 175.510 0.031 0.000 1.022 80 N CA 0.487 53.522 53.050 -0.026 0.000 0.883 80 N CB -0.097 38.521 38.487 0.219 0.000 0.965 80 N HN 0.319 nan 8.380 nan 0.000 0.438 81 L N 0.326 121.571 121.223 0.036 0.000 2.456 81 L HA -0.083 4.256 4.340 -0.001 0.000 0.224 81 L C 1.320 178.247 176.870 0.095 0.000 1.148 81 L CA 0.399 55.296 54.840 0.095 0.000 0.825 81 L CB -0.105 41.959 42.059 0.008 0.000 0.937 81 L HN 0.054 nan 8.230 nan 0.000 0.450 82 L N -1.103 120.095 121.223 -0.042 0.000 2.591 82 L HA 0.004 4.344 4.340 -0.001 0.000 0.228 82 L C 1.877 178.671 176.870 -0.127 0.000 1.133 82 L CA 0.749 55.545 54.840 -0.072 0.000 0.880 82 L CB -0.137 41.836 42.059 -0.142 0.000 1.033 82 L HN 0.173 nan 8.230 nan 0.000 0.450 83 L N -1.748 119.352 121.223 -0.204 0.000 2.341 83 L HA -0.079 4.261 4.340 -0.001 0.000 0.214 83 L C 2.284 178.982 176.870 -0.288 0.000 1.115 83 L CA 0.352 54.944 54.840 -0.412 0.000 0.820 83 L CB -0.529 41.141 42.059 -0.649 0.000 0.944 83 L HN 0.323 nan 8.230 nan 0.000 0.452 84 H N 0.276 119.282 119.070 -0.108 0.000 2.352 84 H HA -0.140 4.416 4.556 -0.001 0.000 0.299 84 H C 2.339 177.589 175.328 -0.130 0.000 1.097 84 H CA 1.453 57.461 56.048 -0.068 0.000 1.311 84 H CB -0.289 29.425 29.762 -0.079 0.000 1.377 84 H HN 0.342 nan 8.280 nan 0.000 0.504 85 A N 0.980 123.791 122.820 -0.015 0.000 1.858 85 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 85 A C 2.577 179.992 177.584 -0.283 0.000 1.190 85 A CA 1.855 53.859 52.037 -0.055 0.000 0.617 85 A CB -1.216 17.824 19.000 0.067 0.000 0.827 85 A HN 0.480 nan 8.150 nan 0.000 0.443 86 A N -0.961 121.475 122.820 -0.640 0.000 1.933 86 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 86 A C 2.277 179.552 177.584 -0.514 0.000 1.175 86 A CA 1.859 53.252 52.037 -1.073 0.000 0.628 86 A CB -0.518 17.734 19.000 -1.247 0.000 0.814 86 A HN 0.603 nan 8.150 nan 0.000 0.444 87 M N -1.154 118.231 119.600 -0.358 0.000 2.159 87 M HA -0.210 4.270 4.480 -0.001 0.000 0.263 87 M C 2.320 178.554 176.300 -0.111 0.000 1.063 87 M CA 2.227 57.396 55.300 -0.219 0.000 1.110 87 M CB -0.084 32.366 32.600 -0.249 0.000 1.374 87 M HN 0.512 nan 8.290 nan 0.000 0.411 88 Q N 0.666 120.413 119.800 -0.088 0.000 2.079 88 Q HA -0.241 4.099 4.340 -0.001 0.000 0.200 88 Q C 1.691 177.684 176.000 -0.012 0.000 0.974 88 Q CA 2.237 58.024 55.803 -0.027 0.000 0.840 88 Q CB -0.257 28.478 28.738 -0.005 0.000 0.898 88 Q HN 0.553 nan 8.270 nan 0.000 0.430 89 E N -0.150 120.039 120.200 -0.019 0.000 2.085 89 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 89 E C 1.694 178.327 176.600 0.056 0.000 0.994 89 E CA 1.706 58.141 56.400 0.059 0.000 0.801 89 E CB -0.633 29.181 29.700 0.190 0.000 0.743 89 E HN 0.426 nan 8.360 nan 0.000 0.453 90 A N 0.998 123.826 122.820 0.012 0.000 1.933 90 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 90 A C 2.291 179.899 177.584 0.041 0.000 1.175 90 A CA 1.671 53.735 52.037 0.044 0.000 0.628 90 A CB -0.625 18.392 19.000 0.028 0.000 0.814 90 A HN 0.271 nan 8.150 nan 0.000 0.444 91 R N -0.202 120.312 120.500 0.022 0.000 2.075 91 R HA -0.151 4.189 4.340 -0.001 0.000 0.230 91 R C 2.378 178.699 176.300 0.035 0.000 1.140 91 R CA 2.494 58.609 56.100 0.025 0.000 0.928 91 R CB -0.815 29.497 30.300 0.020 0.000 0.834 91 R HN 0.607 nan 8.270 nan 0.000 0.429 92 T N -2.757 111.818 114.554 0.035 0.000 2.951 92 T HA 0.011 4.361 4.350 -0.001 0.000 0.268 92 T C 1.809 176.543 174.700 0.057 0.000 1.073 92 T CA 0.969 63.092 62.100 0.039 0.000 1.134 92 T CB -0.192 68.689 68.868 0.022 0.000 0.884 92 T HN 0.422 nan 8.240 nan 0.000 0.479 93 G N 0.616 109.459 108.800 0.072 0.000 2.985 93 G HA2 0.216 4.176 3.960 -0.001 0.000 0.209 93 G HA3 0.216 4.176 3.960 -0.001 0.000 0.209 93 G C 0.381 175.355 174.900 0.122 0.000 1.165 93 G CA -0.703 44.458 45.100 0.102 0.000 0.776 93 G HN 0.396 nan 8.290 nan 0.000 0.541 94 R N -1.085 119.466 120.500 0.085 0.000 3.336 94 R HA -0.148 4.192 4.340 -0.001 0.000 0.260 94 R C -0.449 175.897 176.300 0.075 0.000 1.032 94 R CA 0.398 56.535 56.100 0.063 0.000 0.693 94 R CB -2.458 27.873 30.300 0.052 0.000 1.134 94 R HN 0.450 nan 8.270 nan 0.000 0.433 95 I N 1.476 122.101 120.570 0.092 0.000 2.330 95 I HA 0.323 4.493 4.170 -0.001 0.000 0.289 95 I C -1.826 174.318 176.117 0.045 0.000 1.001 95 I CA -2.436 58.928 61.300 0.106 0.000 1.193 95 I CB 1.559 39.662 38.000 0.172 0.000 1.345 95 I HN -0.139 nan 8.210 nan 0.000 0.461 96 P HA 0.249 nan 4.420 nan 0.000 0.271 96 P C -0.951 176.329 177.300 -0.034 0.000 1.220 96 P CA -0.116 62.968 63.100 -0.026 0.000 0.768 96 P CB 1.123 32.806 31.700 -0.029 0.000 0.848 97 A N 3.034 125.803 122.820 -0.085 0.000 2.513 97 A HA 0.527 4.846 4.320 -0.001 0.000 0.296 97 A C -1.309 176.136 177.584 -0.231 0.000 1.052 97 A CA -0.527 51.431 52.037 -0.132 0.000 0.714 97 A CB 1.242 20.236 19.000 -0.008 0.000 1.279 97 A HN 0.251 nan 8.150 nan 0.000 0.397 98 V N 4.116 123.788 119.914 -0.403 0.000 2.417 98 V HA 0.486 4.605 4.120 -0.001 0.000 0.291 98 V C -0.623 175.207 176.094 -0.439 0.000 1.024 98 V CA -0.486 61.556 62.300 -0.431 0.000 0.861 98 V CB 1.498 32.881 31.823 -0.734 0.000 0.985 98 V HN 0.882 nan 8.190 nan 0.000 0.436 99 H N 5.193 124.217 119.070 -0.078 0.000 2.505 99 H HA 0.489 5.044 4.556 -0.001 0.000 0.338 99 H C -0.994 174.280 175.328 -0.090 0.000 1.057 99 H CA -0.642 55.436 56.048 0.050 0.000 1.202 99 H CB 2.249 32.154 29.762 0.239 0.000 1.466 99 H HN 0.336 nan 8.280 nan 0.000 0.499 100 I N 2.802 123.368 120.570 -0.006 0.000 2.328 100 I HA 0.192 4.362 4.170 -0.001 0.000 0.287 100 I C 1.007 177.132 176.117 0.013 0.000 1.012 100 I CA -0.432 60.810 61.300 -0.098 0.000 1.195 100 I CB 1.011 38.979 38.000 -0.053 0.000 1.350 100 I HN 0.604 nan 8.210 nan 0.000 0.464 101 G N 7.236 115.981 108.800 -0.091 0.000 2.335 101 G HA2 0.519 4.479 3.960 -0.001 0.000 0.314 101 G HA3 0.519 4.479 3.960 -0.001 0.000 0.314 101 G C -0.478 174.477 174.900 0.093 0.000 1.129 101 G CA -0.403 44.792 45.100 0.160 0.000 0.912 101 G HN 0.321 nan 8.290 nan 0.000 0.443 102 L N 3.287 124.595 121.223 0.143 0.000 2.261 102 L HA 0.312 4.652 4.340 -0.001 0.000 0.289 102 L C 0.444 177.372 176.870 0.097 0.000 1.059 102 L CA -0.848 54.066 54.840 0.123 0.000 0.816 102 L CB 0.358 42.505 42.059 0.146 0.000 1.191 102 L HN 0.453 nan 8.230 nan 0.000 0.431 103 N N 0.885 119.665 118.700 0.132 0.000 2.379 103 N HA 0.259 4.999 4.740 -0.001 0.000 0.260 103 N C 0.080 175.692 175.510 0.170 0.000 1.254 103 N CA -0.181 52.948 53.050 0.131 0.000 0.958 103 N CB 1.109 39.705 38.487 0.181 0.000 1.208 103 N HN 0.474 nan 8.380 nan 0.000 0.532 104 S N 0.050 115.843 115.700 0.155 0.000 2.606 104 S HA -0.028 4.442 4.470 -0.001 0.000 0.257 104 S C -0.152 174.683 174.600 0.393 0.000 1.327 104 S CA -0.433 57.934 58.200 0.277 0.000 0.984 104 S CB 0.202 63.514 63.200 0.188 0.000 0.941 104 S HN 0.547 nan 8.310 nan 0.000 0.576 105 D N 0.578 121.256 120.400 0.464 0.000 2.531 105 D HA 0.042 4.681 4.640 -0.001 0.000 0.239 105 D C 1.333 177.709 176.300 0.127 0.000 1.144 105 D CA 0.379 54.507 54.000 0.213 0.000 0.869 105 D CB 0.618 41.521 40.800 0.171 0.000 1.160 105 D HN 0.573 nan 8.370 nan 0.000 0.484 106 G N 4.128 112.966 108.800 0.063 0.000 2.470 106 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.220 106 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.220 106 G C 1.564 176.491 174.900 0.045 0.000 1.121 106 G CA 0.680 45.813 45.100 0.054 0.000 0.766 106 G HN 0.491 nan 8.290 nan 0.000 0.553 107 R N -0.307 120.210 120.500 0.029 0.000 2.127 107 R HA 0.033 4.373 4.340 -0.001 0.000 0.238 107 R C 1.738 178.066 176.300 0.047 0.000 1.134 107 R CA 0.974 57.090 56.100 0.028 0.000 0.975 107 R CB -0.407 29.902 30.300 0.015 0.000 0.865 107 R HN 0.333 nan 8.270 nan 0.000 0.447 108 L N -0.034 121.230 121.223 0.068 0.000 2.607 108 L HA 0.422 4.761 4.340 -0.001 0.000 0.228 108 L C 0.445 177.362 176.870 0.078 0.000 1.123 108 L CA 0.347 55.231 54.840 0.074 0.000 0.890 108 L CB -0.460 41.654 42.059 0.091 0.000 1.103 108 L HN 0.125 nan 8.230 nan 0.000 0.468 109 A N -0.478 122.394 122.820 0.086 0.000 2.498 109 A HA 0.443 4.762 4.320 -0.001 0.000 0.239 109 A C 1.581 179.211 177.584 0.078 0.000 1.068 109 A CA 0.601 52.697 52.037 0.097 0.000 0.766 109 A CB -0.375 18.696 19.000 0.118 0.000 1.003 109 A HN 0.661 nan 8.150 nan 0.000 0.497 110 G N 1.355 110.199 108.800 0.074 0.000 2.179 110 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.260 110 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.260 110 G C 0.414 175.338 174.900 0.039 0.000 0.977 110 G CA 0.552 45.684 45.100 0.054 0.000 0.641 110 G HN 0.925 nan 8.290 nan 0.000 0.533 111 R N 0.867 121.392 120.500 0.042 0.000 2.389 111 R HA 0.423 4.762 4.340 -0.001 0.000 0.295 111 R C 1.969 178.285 176.300 0.027 0.000 1.075 111 R CA 0.390 56.510 56.100 0.033 0.000 1.005 111 R CB 0.864 31.186 30.300 0.038 0.000 0.987 111 R HN 0.425 nan 8.270 nan 0.000 0.452 112 S N 2.005 117.716 115.700 0.019 0.000 2.423 112 S HA -0.097 4.373 4.470 -0.001 0.000 0.231 112 S C 0.754 175.361 174.600 0.012 0.000 1.014 112 S CA 0.764 58.971 58.200 0.012 0.000 0.965 112 S CB 0.176 63.380 63.200 0.007 0.000 0.785 112 S HN 0.571 nan 8.310 nan 0.000 0.495 113 E N 1.674 121.884 120.200 0.017 0.000 2.496 113 E HA 0.518 4.867 4.350 -0.001 0.000 0.200 113 E C 0.288 176.903 176.600 0.025 0.000 1.016 113 E CA 0.042 56.452 56.400 0.017 0.000 0.962 113 E CB 0.051 29.761 29.700 0.016 0.000 1.071 113 E HN 0.620 nan 8.360 nan 0.000 0.457 114 A N 1.175 124.014 122.820 0.031 0.000 2.386 114 A HA 0.551 4.871 4.320 -0.001 0.000 0.248 114 A C 0.351 177.960 177.584 0.042 0.000 1.082 114 A CA 0.058 52.121 52.037 0.043 0.000 0.789 114 A CB 0.460 19.492 19.000 0.054 0.000 1.025 114 A HN 0.206 nan 8.150 nan 0.000 0.490 115 A N 1.171 124.023 122.820 0.053 0.000 2.301 115 A HA 0.571 4.890 4.320 -0.001 0.000 0.312 115 A C 0.443 178.065 177.584 0.063 0.000 1.182 115 A CA -0.243 51.826 52.037 0.053 0.000 0.826 115 A CB 0.137 19.172 19.000 0.058 0.000 1.134 115 A HN 1.171 nan 8.150 nan 0.000 0.501 116 Q N -0.193 119.634 119.800 0.044 0.000 2.494 116 Q HA -0.153 4.187 4.340 -0.001 0.000 0.272 116 Q C -0.570 175.454 176.000 0.040 0.000 1.145 116 Q CA 0.692 56.511 55.803 0.026 0.000 0.943 116 Q CB -1.239 27.513 28.738 0.023 0.000 1.338 116 Q HN 0.800 nan 8.270 nan 0.000 0.492 117 Q N 1.021 120.855 119.800 0.057 0.000 2.441 117 Q HA 0.275 4.615 4.340 -0.001 0.000 0.234 117 Q C -0.105 175.943 176.000 0.080 0.000 1.078 117 Q CA -0.041 55.814 55.803 0.086 0.000 0.907 117 Q CB 1.130 29.921 28.738 0.087 0.000 1.269 117 Q HN 0.109 nan 8.270 nan 0.000 0.502 118 V N 5.925 125.908 119.914 0.115 0.000 2.555 118 V HA 0.092 4.212 4.120 -0.001 0.000 0.286 118 V C -1.685 174.481 176.094 0.120 0.000 1.044 118 V CA -1.088 61.278 62.300 0.111 0.000 1.026 118 V CB 0.841 32.761 31.823 0.163 0.000 0.981 118 V HN 0.546 nan 8.190 nan 0.000 0.480 119 P HA 0.025 nan 4.420 nan 0.000 0.244 119 P C 1.056 178.244 177.300 -0.187 0.000 1.769 119 P CA -0.287 62.712 63.100 -0.169 0.000 1.102 119 P CB -0.087 31.491 31.700 -0.203 0.000 1.937 120 W N 3.094 124.439 121.300 0.074 0.000 2.387 120 W HA -0.154 4.505 4.660 -0.001 0.000 0.272 120 W C 0.640 177.227 176.519 0.114 0.000 1.224 120 W CA 0.354 57.824 57.345 0.208 0.000 1.210 120 W CB -1.431 28.246 29.460 0.361 0.000 1.125 120 W HN 0.267 nan 8.180 nan 0.000 0.572 121 Q N 1.428 120.838 119.800 -0.649 0.000 2.437 121 Q HA -0.131 4.209 4.340 -0.001 0.000 0.210 121 Q C 2.496 178.332 176.000 -0.273 0.000 0.972 121 Q CA 1.875 57.354 55.803 -0.540 0.000 0.903 121 Q CB -0.224 28.070 28.738 -0.741 0.000 0.967 121 Q HN 0.410 nan 8.270 nan 0.000 0.486 122 S N -0.333 115.162 115.700 -0.340 0.000 2.442 122 S HA -0.099 4.370 4.470 -0.001 0.000 0.236 122 S C 1.433 175.830 174.600 -0.338 0.000 1.007 122 S CA 0.690 58.679 58.200 -0.351 0.000 0.965 122 S CB -0.383 62.572 63.200 -0.407 0.000 0.773 122 S HN 0.342 nan 8.310 nan 0.000 0.504 123 F N 2.025 121.942 119.950 -0.054 0.000 2.615 123 F HA 0.115 4.641 4.527 -0.001 0.000 0.297 123 F C 2.673 178.473 175.800 -0.000 0.000 1.124 123 F CA 0.599 58.539 58.000 -0.100 0.000 1.451 123 F CB -0.780 38.060 39.000 -0.268 0.000 1.103 123 F HN 0.148 nan 8.300 nan 0.000 0.569 124 T N 0.864 115.517 114.554 0.165 0.000 2.699 124 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 124 T C -0.506 174.248 174.700 0.090 0.000 1.036 124 T CA 1.369 63.555 62.100 0.143 0.000 1.147 124 T CB -1.270 67.663 68.868 0.108 0.000 0.862 124 T HN 0.140 nan 8.240 nan 0.000 0.446 125 P HA 0.250 nan 4.420 nan 0.000 0.245 125 P C 0.798 178.127 177.300 0.048 0.000 1.212 125 P CA 0.585 63.707 63.100 0.036 0.000 0.774 125 P CB -0.034 31.670 31.700 0.006 0.000 0.999 126 I N -1.879 118.736 120.570 0.075 0.000 3.345 126 I HA 0.173 4.342 4.170 -0.001 0.000 0.258 126 I C 1.065 177.219 176.117 0.063 0.000 1.134 126 I CA -0.229 61.112 61.300 0.069 0.000 1.457 126 I CB -0.751 37.305 38.000 0.092 0.000 1.425 126 I HN -0.260 nan 8.210 nan 0.000 0.461 127 A N 1.330 124.202 122.820 0.088 0.000 2.445 127 A HA 0.151 4.470 4.320 -0.001 0.000 0.242 127 A C 1.172 178.793 177.584 0.062 0.000 1.075 127 A CA -0.028 52.048 52.037 0.066 0.000 0.777 127 A CB 0.150 19.206 19.000 0.094 0.000 1.013 127 A HN 0.279 nan 8.150 nan 0.000 0.493 128 R N 0.228 120.752 120.500 0.040 0.000 2.148 128 R HA -0.019 4.320 4.340 -0.001 0.000 0.227 128 R C 0.388 176.710 176.300 0.038 0.000 1.103 128 R CA 1.395 57.514 56.100 0.032 0.000 0.983 128 R CB -0.022 30.287 30.300 0.014 0.000 0.874 128 R HN 0.601 nan 8.270 nan 0.000 0.451 129 S N 0.032 115.759 115.700 0.044 0.000 2.619 129 S HA 0.307 4.777 4.470 -0.001 0.000 0.280 129 S C -1.075 173.583 174.600 0.095 0.000 1.150 129 S CA -0.609 57.621 58.200 0.050 0.000 0.978 129 S CB 2.110 65.315 63.200 0.009 0.000 1.041 129 S HN -0.010 nan 8.310 nan 0.000 0.485 130 T N 4.958 119.595 114.554 0.138 0.000 2.840 130 T HA 0.508 4.857 4.350 -0.001 0.000 0.287 130 T C -1.089 173.701 174.700 0.150 0.000 0.991 130 T CA -0.560 61.678 62.100 0.230 0.000 0.964 130 T CB 1.380 70.459 68.868 0.352 0.000 0.954 130 T HN 0.670 nan 8.240 nan 0.000 0.438 131 Q N 1.777 121.604 119.800 0.045 0.000 2.337 131 Q HA 0.581 4.920 4.340 -0.001 0.000 0.270 131 Q C -0.657 175.168 176.000 -0.292 0.000 1.043 131 Q CA -1.108 54.634 55.803 -0.102 0.000 0.794 131 Q CB 2.587 31.268 28.738 -0.096 0.000 1.281 131 Q HN 0.331 nan 8.270 nan 0.000 0.446 132 R N 1.782 121.953 120.500 -0.549 0.000 2.229 132 R HA 0.353 4.692 4.340 -0.001 0.000 0.332 132 R C -1.482 174.584 176.300 -0.391 0.000 0.989 132 R CA -0.363 55.289 56.100 -0.746 0.000 0.842 132 R CB 0.805 30.165 30.300 -1.566 0.000 1.119 132 R HN 0.398 nan 8.270 nan 0.000 0.456 133 V N 6.023 125.773 119.914 -0.273 0.000 2.455 133 V HA 0.126 4.246 4.120 -0.001 0.000 0.273 133 V C 0.823 176.839 176.094 -0.130 0.000 1.045 133 V CA 0.016 62.219 62.300 -0.162 0.000 0.976 133 V CB 1.217 32.967 31.823 -0.121 0.000 0.993 133 V HN 0.906 nan 8.190 nan 0.000 0.475 134 E N 3.876 124.018 120.200 -0.096 0.000 2.276 134 E HA 0.149 4.499 4.350 -0.001 0.000 0.193 134 E C 0.290 176.860 176.600 -0.050 0.000 0.983 134 E CA 0.320 56.681 56.400 -0.064 0.000 0.861 134 E CB 0.490 30.163 29.700 -0.045 0.000 0.817 134 E HN 0.582 nan 8.360 nan 0.000 0.485 135 R N 0.589 121.058 120.500 -0.052 0.000 2.628 135 R HA 0.203 4.543 4.340 -0.001 0.000 0.288 135 R C 0.298 176.568 176.300 -0.050 0.000 0.980 135 R CA -0.445 55.628 56.100 -0.045 0.000 0.891 135 R CB 1.689 31.967 30.300 -0.036 0.000 1.188 135 R HN -0.059 nan 8.270 nan 0.000 0.450 136 L N 2.576 123.767 121.223 -0.054 0.000 2.042 136 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 136 L C 1.496 178.338 176.870 -0.046 0.000 1.076 136 L CA 2.257 57.062 54.840 -0.058 0.000 0.749 136 L CB -0.388 41.630 42.059 -0.067 0.000 0.893 136 L HN 0.800 nan 8.230 nan 0.000 0.432 137 D N -1.735 118.642 120.400 -0.040 0.000 2.392 137 D HA -0.156 4.483 4.640 -0.001 0.000 0.228 137 D C 1.324 177.609 176.300 -0.025 0.000 1.003 137 D CA 0.754 54.734 54.000 -0.032 0.000 0.917 137 D CB -0.351 40.431 40.800 -0.029 0.000 0.890 137 D HN 0.339 nan 8.370 nan 0.000 0.532 138 K N 0.425 120.809 120.400 -0.027 0.000 2.358 138 K HA 0.094 4.414 4.320 -0.001 0.000 0.197 138 K C 1.985 178.576 176.600 -0.015 0.000 1.025 138 K CA 0.395 56.670 56.287 -0.020 0.000 1.104 138 K CB 0.987 33.471 32.500 -0.028 0.000 0.855 138 K HN 0.265 nan 8.250 nan 0.000 0.531 139 V N -1.446 118.455 119.914 -0.020 0.000 2.358 139 V HA -0.065 4.055 4.120 -0.001 0.000 0.246 139 V C 2.007 178.114 176.094 0.022 0.000 1.047 139 V CA 2.177 64.469 62.300 -0.014 0.000 1.035 139 V CB -1.240 30.565 31.823 -0.030 0.000 0.658 139 V HN 0.168 nan 8.190 nan 0.000 0.452 140 G N -0.119 108.697 108.800 0.027 0.000 2.421 140 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.216 140 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.216 140 G C 1.514 176.493 174.900 0.131 0.000 1.171 140 G CA 0.945 46.091 45.100 0.076 0.000 0.775 140 G HN 0.697 nan 8.290 nan 0.000 0.543 141 E N 0.572 120.818 120.200 0.078 0.000 2.049 141 E HA -0.147 4.202 4.350 -0.001 0.000 0.198 141 E C 2.709 179.374 176.600 0.108 0.000 1.007 141 E CA 1.402 57.856 56.400 0.091 0.000 0.809 141 E CB -0.330 29.395 29.700 0.042 0.000 0.749 141 E HN 0.331 nan 8.360 nan 0.000 0.450 142 A N 0.751 123.606 122.820 0.059 0.000 1.930 142 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 142 A C 2.198 179.816 177.584 0.056 0.000 1.175 142 A CA 1.341 53.395 52.037 0.028 0.000 0.627 142 A CB -0.560 18.427 19.000 -0.021 0.000 0.815 142 A HN 0.374 nan 8.150 nan 0.000 0.443 143 I N -1.180 119.463 120.570 0.122 0.000 2.315 143 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 143 I C 2.550 178.823 176.117 0.261 0.000 1.117 143 I CA 1.502 62.937 61.300 0.225 0.000 1.404 143 I CB -0.548 37.629 38.000 0.296 0.000 1.071 143 I HN 0.565 nan 8.210 nan 0.000 0.419 144 H N 1.237 120.336 119.070 0.048 0.000 2.319 144 H HA -0.259 4.297 4.556 -0.001 0.000 0.299 144 H C 2.134 177.359 175.328 -0.171 0.000 1.092 144 H CA 2.301 58.156 56.048 -0.321 0.000 1.302 144 H CB 0.172 29.812 29.762 -0.203 0.000 1.373 144 H HN 0.295 nan 8.280 nan 0.000 0.497 145 E N 0.958 121.062 120.200 -0.160 0.000 2.085 145 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 145 E C 2.365 178.882 176.600 -0.138 0.000 0.994 145 E CA 1.648 57.941 56.400 -0.178 0.000 0.801 145 E CB -0.561 29.107 29.700 -0.054 0.000 0.743 145 E HN 0.512 nan 8.360 nan 0.000 0.453 146 A N -0.221 122.553 122.820 -0.077 0.000 1.883 146 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 146 A C 2.187 179.667 177.584 -0.173 0.000 1.186 146 A CA 1.691 53.661 52.037 -0.113 0.000 0.624 146 A CB -1.119 17.809 19.000 -0.120 0.000 0.822 146 A HN 0.392 nan 8.150 nan 0.000 0.444 147 F N -0.196 119.651 119.950 -0.172 0.000 2.134 147 F HA -0.144 4.383 4.527 -0.001 0.000 0.299 147 F C 2.595 178.280 175.800 -0.191 0.000 1.097 147 F CA 1.777 59.676 58.000 -0.167 0.000 1.264 147 F CB -0.292 38.593 39.000 -0.192 0.000 1.001 147 F HN 0.117 nan 8.300 nan 0.000 0.479 148 R N -0.167 120.263 120.500 -0.117 0.000 2.096 148 R HA -0.166 4.174 4.340 -0.001 0.000 0.240 148 R C 2.116 178.366 176.300 -0.082 0.000 1.139 148 R CA 1.828 57.840 56.100 -0.147 0.000 0.952 148 R CB -0.986 29.157 30.300 -0.262 0.000 0.854 148 R HN 0.181 nan 8.270 nan 0.000 0.436 149 V N 0.777 120.640 119.914 -0.086 0.000 2.379 149 V HA -0.179 3.941 4.120 -0.001 0.000 0.245 149 V C 2.443 178.501 176.094 -0.060 0.000 1.044 149 V CA 1.813 64.078 62.300 -0.058 0.000 1.036 149 V CB -0.712 31.081 31.823 -0.050 0.000 0.664 149 V HN 0.408 nan 8.190 nan 0.000 0.453 150 A N -0.271 122.493 122.820 -0.093 0.000 1.940 150 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 150 A C 1.989 179.530 177.584 -0.073 0.000 1.176 150 A CA 1.842 53.816 52.037 -0.104 0.000 0.631 150 A CB -0.357 18.521 19.000 -0.204 0.000 0.814 150 A HN 0.644 nan 8.150 nan 0.000 0.446 151 E N -0.449 119.724 120.200 -0.046 0.000 2.465 151 E HA 0.235 4.584 4.350 -0.001 0.000 0.195 151 E C 1.010 177.583 176.600 -0.045 0.000 1.028 151 E CA -0.097 56.286 56.400 -0.028 0.000 0.899 151 E CB 0.334 30.060 29.700 0.043 0.000 1.032 151 E HN 0.556 nan 8.360 nan 0.000 0.468 152 G N 0.056 108.829 108.800 -0.045 0.000 2.508 152 G HA2 0.090 4.050 3.960 -0.001 0.000 0.278 152 G HA3 0.090 4.050 3.960 -0.001 0.000 0.278 152 G C -0.307 174.527 174.900 -0.110 0.000 1.389 152 G CA -0.445 44.653 45.100 -0.004 0.000 1.050 152 G HN 0.242 nan 8.290 nan 0.000 0.522 153 H N 0.992 120.065 119.070 0.004 0.000 2.762 153 H HA 0.274 4.830 4.556 -0.001 0.000 0.310 153 H C -1.875 173.458 175.328 0.008 0.000 1.004 153 H CA -0.933 55.119 56.048 0.007 0.000 1.267 153 H CB 1.662 31.427 29.762 0.005 0.000 1.437 153 H HN 0.326 nan 8.280 nan 0.000 0.498 154 P HA 0.224 nan 4.420 nan 0.000 0.278 154 P C -0.153 177.114 177.300 -0.055 0.000 1.238 154 P CA -0.557 62.544 63.100 0.002 0.000 0.794 154 P CB 1.194 32.910 31.700 0.026 0.000 0.955 155 A N 1.498 124.255 122.820 -0.106 0.000 2.406 155 A HA 0.625 4.944 4.320 -0.001 0.000 0.243 155 A C 0.673 178.238 177.584 -0.031 0.000 1.082 155 A CA 0.674 52.659 52.037 -0.087 0.000 0.786 155 A CB -0.386 18.553 19.000 -0.101 0.000 1.029 155 A HN 0.878 nan 8.150 nan 0.000 0.495 156 G N -0.192 108.592 108.800 -0.027 0.000 2.341 156 G HA2 0.550 4.510 3.960 -0.001 0.000 0.299 156 G HA3 0.550 4.510 3.960 -0.001 0.000 0.299 156 G C -3.493 171.397 174.900 -0.016 0.000 1.274 156 G CA -0.341 44.755 45.100 -0.006 0.000 0.853 156 G HN 0.629 nan 8.290 nan 0.000 0.493 157 P HA 0.578 nan 4.420 nan 0.000 0.286 157 P C -0.825 176.477 177.300 0.003 0.000 1.261 157 P CA -0.189 62.919 63.100 0.013 0.000 0.821 157 P CB 2.006 33.729 31.700 0.038 0.000 1.013 158 A N 3.020 125.831 122.820 -0.014 0.000 2.356 158 A HA 0.566 4.885 4.320 -0.001 0.000 0.310 158 A C -1.811 175.789 177.584 0.027 0.000 1.075 158 A CA -0.610 51.416 52.037 -0.018 0.000 0.746 158 A CB 1.018 19.959 19.000 -0.099 0.000 1.221 158 A HN 0.542 nan 8.150 nan 0.000 0.443 159 Y N 2.344 122.596 120.300 -0.080 0.000 2.352 159 Y HA 0.598 5.147 4.550 -0.001 0.000 0.339 159 Y C -1.006 174.855 175.900 -0.064 0.000 0.992 159 Y CA -0.804 57.229 58.100 -0.112 0.000 1.100 159 Y CB 1.869 40.158 38.460 -0.284 0.000 1.192 159 Y HN 0.474 nan 8.280 nan 0.000 0.458 160 V N 5.901 125.393 119.914 -0.704 0.000 2.407 160 V HA 0.239 4.359 4.120 -0.001 0.000 0.291 160 V C -1.068 174.589 176.094 -0.729 0.000 1.018 160 V CA -0.891 61.097 62.300 -0.519 0.000 0.842 160 V CB 1.535 33.201 31.823 -0.262 0.000 0.996 160 V HN 0.757 nan 8.190 nan 0.000 0.426 161 D N 4.383 124.480 120.400 -0.505 0.000 2.274 161 D HA 0.618 5.257 4.640 -0.001 0.000 0.239 161 D C -0.699 175.485 176.300 -0.194 0.000 1.104 161 D CA -0.088 53.749 54.000 -0.272 0.000 0.840 161 D CB 0.943 41.708 40.800 -0.058 0.000 1.100 161 D HN 0.484 nan 8.370 nan 0.000 0.477 162 I N 5.742 126.259 120.570 -0.089 0.000 2.439 162 I HA 0.302 4.472 4.170 -0.001 0.000 0.283 162 I C -2.204 173.935 176.117 0.037 0.000 1.023 162 I CA -2.277 58.995 61.300 -0.047 0.000 1.100 162 I CB 2.075 40.053 38.000 -0.038 0.000 1.238 162 I HN 0.216 nan 8.210 nan 0.000 0.445 163 P HA -0.040 nan 4.420 nan 0.000 0.267 163 P C 0.597 177.979 177.300 0.137 0.000 1.205 163 P CA 0.071 63.238 63.100 0.112 0.000 0.765 163 P CB 0.345 32.082 31.700 0.063 0.000 0.828 164 F N 3.068 123.039 119.950 0.034 0.000 2.502 164 F HA -0.097 4.430 4.527 -0.001 0.000 0.298 164 F C 1.572 177.366 175.800 -0.010 0.000 1.111 164 F CA 0.595 58.622 58.000 0.045 0.000 1.445 164 F CB -0.753 38.320 39.000 0.122 0.000 1.081 164 F HN 0.183 nan 8.300 nan 0.000 0.558 165 D N 2.059 122.119 120.400 -0.567 0.000 2.182 165 D HA -0.248 4.392 4.640 -0.001 0.000 0.201 165 D C 1.927 178.020 176.300 -0.345 0.000 0.986 165 D CA 1.434 55.102 54.000 -0.554 0.000 0.847 165 D CB -0.927 39.646 40.800 -0.379 0.000 0.942 165 D HN 0.486 nan 8.370 nan 0.000 0.467 166 L N 1.053 122.153 121.223 -0.205 0.000 2.191 166 L HA -0.110 4.229 4.340 -0.001 0.000 0.212 166 L C 2.875 179.642 176.870 -0.172 0.000 1.103 166 L CA 1.617 56.364 54.840 -0.155 0.000 0.769 166 L CB -0.932 41.071 42.059 -0.094 0.000 0.908 166 L HN 0.228 nan 8.230 nan 0.000 0.438 167 T N -3.063 111.387 114.554 -0.173 0.000 3.023 167 T HA 0.023 4.372 4.350 -0.001 0.000 0.266 167 T C 1.821 176.282 174.700 -0.398 0.000 1.093 167 T CA 0.803 62.809 62.100 -0.157 0.000 1.129 167 T CB 0.030 68.916 68.868 0.031 0.000 0.899 167 T HN 0.288 nan 8.240 nan 0.000 0.491 168 A N 1.400 123.792 122.820 -0.714 0.000 1.943 168 A HA 0.206 4.526 4.320 -0.001 0.000 0.213 168 A C 0.979 178.300 177.584 -0.438 0.000 1.181 168 A CA 0.134 51.578 52.037 -0.988 0.000 0.653 168 A CB -0.349 17.887 19.000 -1.273 0.000 0.833 168 A HN 0.469 nan 8.150 nan 0.000 0.451 169 D N 0.900 121.109 120.400 -0.319 0.000 2.390 169 D HA 0.284 4.923 4.640 -0.001 0.000 0.236 169 D C 0.051 176.264 176.300 -0.145 0.000 1.189 169 D CA 0.688 54.572 54.000 -0.193 0.000 0.887 169 D CB 0.347 41.052 40.800 -0.159 0.000 1.198 169 D HN 0.447 nan 8.370 nan 0.000 0.444 170 Q N 0.215 119.953 119.800 -0.102 0.000 2.377 170 Q HA 0.764 5.104 4.340 -0.001 0.000 0.271 170 Q C -0.580 175.382 176.000 -0.062 0.000 1.077 170 Q CA -0.730 55.028 55.803 -0.076 0.000 0.820 170 Q CB 3.032 31.735 28.738 -0.059 0.000 1.347 170 Q HN 0.434 nan 8.270 nan 0.000 0.444 171 I N 0.213 120.750 120.570 -0.055 0.000 2.918 171 I HA 0.236 4.405 4.170 -0.001 0.000 0.301 171 I C -1.569 174.524 176.117 -0.041 0.000 1.312 171 I CA -0.756 60.516 61.300 -0.047 0.000 1.007 171 I CB 2.505 40.476 38.000 -0.049 0.000 1.281 171 I HN 0.649 nan 8.210 nan 0.000 0.440 172 D N 3.246 123.625 120.400 -0.035 0.000 2.458 172 D HA 0.018 4.658 4.640 -0.001 0.000 0.243 172 D C 0.427 176.706 176.300 -0.035 0.000 1.146 172 D CA 0.321 54.302 54.000 -0.032 0.000 0.877 172 D CB 0.860 41.643 40.800 -0.028 0.000 1.176 172 D HN 0.537 nan 8.370 nan 0.000 0.461 173 D N 2.954 123.332 120.400 -0.036 0.000 2.339 173 D HA -0.070 4.570 4.640 -0.001 0.000 0.217 173 D C 0.211 176.489 176.300 -0.037 0.000 1.050 173 D CA -0.231 53.745 54.000 -0.039 0.000 0.856 173 D CB -0.234 40.539 40.800 -0.044 0.000 0.922 173 D HN 0.247 nan 8.370 nan 0.000 0.518 174 K N 0.749 121.129 120.400 -0.032 0.000 2.405 174 K HA 0.125 4.444 4.320 -0.001 0.000 0.276 174 K C 0.654 177.235 176.600 -0.031 0.000 1.099 174 K CA 0.751 57.020 56.287 -0.030 0.000 1.120 174 K CB -0.249 32.235 32.500 -0.026 0.000 0.877 174 K HN 0.180 nan 8.250 nan 0.000 0.472 175 A N 3.237 126.037 122.820 -0.033 0.000 3.153 175 A HA -0.217 4.103 4.320 -0.001 0.000 0.265 175 A C 0.933 178.495 177.584 -0.036 0.000 1.212 175 A CA 1.195 53.211 52.037 -0.035 0.000 1.018 175 A CB -2.087 16.895 19.000 -0.031 0.000 1.130 175 A HN 0.859 nan 8.150 nan 0.000 0.873 176 L N -0.727 120.475 121.223 -0.036 0.000 2.072 176 L HA 0.103 4.442 4.340 -0.001 0.000 0.205 176 L C 0.843 177.697 176.870 -0.027 0.000 1.079 176 L CA 1.522 56.343 54.840 -0.032 0.000 0.752 176 L CB 0.125 42.164 42.059 -0.034 0.000 0.906 176 L HN 0.331 nan 8.230 nan 0.000 0.436 177 V N 2.069 121.962 119.914 -0.035 0.000 2.408 177 V HA 0.229 4.348 4.120 -0.001 0.000 0.267 177 V C -2.118 173.960 176.094 -0.026 0.000 1.047 177 V CA -1.405 60.879 62.300 -0.027 0.000 0.937 177 V CB 0.431 32.211 31.823 -0.073 0.000 0.999 177 V HN 0.181 nan 8.190 nan 0.000 0.472 178 P HA 0.292 nan 4.420 nan 0.000 0.266 178 P C -0.318 176.984 177.300 0.003 0.000 1.215 178 P CA 0.125 63.182 63.100 -0.072 0.000 0.763 178 P CB 0.431 31.948 31.700 -0.304 0.000 0.806 179 R N 1.947 122.432 120.500 -0.026 0.000 2.778 179 R HA 0.618 4.957 4.340 -0.001 0.000 0.277 179 R C 0.713 177.015 176.300 0.003 0.000 0.977 179 R CA -0.482 55.613 56.100 -0.008 0.000 0.950 179 R CB 1.650 31.926 30.300 -0.040 0.000 1.165 179 R HN 0.672 nan 8.270 nan 0.000 0.474 180 G N 0.288 109.101 108.800 0.021 0.000 2.136 180 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.242 180 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.242 180 G C 0.056 174.973 174.900 0.029 0.000 0.989 180 G CA 0.103 45.213 45.100 0.017 0.000 0.682 180 G HN 0.802 nan 8.290 nan 0.000 0.522 181 A N -0.074 122.779 122.820 0.054 0.000 2.425 181 A HA 0.698 5.017 4.320 -0.001 0.000 0.249 181 A C 0.611 178.231 177.584 0.059 0.000 1.084 181 A CA 1.039 53.114 52.037 0.064 0.000 0.781 181 A CB 0.539 19.605 19.000 0.111 0.000 1.019 181 A HN 0.800 nan 8.150 nan 0.000 0.490 182 T N 3.489 118.071 114.554 0.047 0.000 2.791 182 T HA 0.354 4.704 4.350 -0.001 0.000 0.288 182 T C 0.269 174.995 174.700 0.044 0.000 0.999 182 T CA -0.442 61.683 62.100 0.043 0.000 0.952 182 T CB 0.586 69.473 68.868 0.032 0.000 0.938 182 T HN 0.684 nan 8.240 nan 0.000 0.444 183 R N 1.576 122.103 120.500 0.046 0.000 2.734 183 R HA 0.434 4.773 4.340 -0.001 0.000 0.266 183 R C 0.702 177.025 176.300 0.039 0.000 1.044 183 R CA -0.417 55.709 56.100 0.043 0.000 1.128 183 R CB 0.372 30.699 30.300 0.046 0.000 1.010 183 R HN 0.743 nan 8.270 nan 0.000 0.461 184 A N 2.809 125.651 122.820 0.036 0.000 2.498 184 A HA 0.063 4.382 4.320 -0.001 0.000 0.239 184 A C -0.036 177.568 177.584 0.034 0.000 1.068 184 A CA -0.041 52.014 52.037 0.031 0.000 0.766 184 A CB 0.188 19.203 19.000 0.025 0.000 1.003 184 A HN 0.606 nan 8.150 nan 0.000 0.497 185 K N 1.028 121.448 120.400 0.032 0.000 2.414 185 K HA 0.137 4.456 4.320 -0.001 0.000 0.272 185 K C 0.793 177.406 176.600 0.021 0.000 0.993 185 K CA 0.743 57.051 56.287 0.035 0.000 0.964 185 K CB 0.395 32.920 32.500 0.041 0.000 0.925 185 K HN 0.762 nan 8.250 nan 0.000 0.487 186 S N -0.659 115.051 115.700 0.016 0.000 2.575 186 S HA 0.030 4.500 4.470 -0.001 0.000 0.237 186 S C 0.604 175.178 174.600 -0.043 0.000 0.975 186 S CA -0.666 57.511 58.200 -0.037 0.000 0.960 186 S CB -0.212 62.973 63.200 -0.025 0.000 0.822 186 S HN 0.429 nan 8.310 nan 0.000 0.472 187 V N 0.309 120.222 119.914 -0.002 0.000 2.346 187 V HA 0.448 4.567 4.120 -0.001 0.000 0.320 187 V C 0.184 176.279 176.094 0.002 0.000 1.663 187 V CA -0.822 61.467 62.300 -0.019 0.000 1.667 187 V CB -1.028 30.803 31.823 0.013 0.000 1.465 187 V HN 0.404 nan 8.190 nan 0.000 0.524 188 L N 3.211 124.424 121.223 -0.017 0.000 2.534 188 L HA 0.388 4.728 4.340 -0.001 0.000 0.271 188 L C 0.192 177.071 176.870 0.014 0.000 1.178 188 L CA 0.483 55.345 54.840 0.036 0.000 0.907 188 L CB -0.495 41.554 42.059 -0.017 0.000 1.164 188 L HN 0.602 nan 8.230 nan 0.000 0.482 189 H N 3.525 122.610 119.070 0.025 0.000 2.487 189 H HA 0.655 5.210 4.556 -0.001 0.000 0.333 189 H C 0.192 175.560 175.328 0.067 0.000 1.114 189 H CA 0.119 56.194 56.048 0.046 0.000 1.310 189 H CB 1.136 30.911 29.762 0.022 0.000 1.462 189 H HN 0.866 nan 8.280 nan 0.000 0.516 190 A N 3.883 126.827 122.820 0.208 0.000 2.304 190 A HA 0.413 4.733 4.320 -0.001 0.000 0.271 190 A C -2.180 175.490 177.584 0.144 0.000 1.091 190 A CA -1.497 50.661 52.037 0.203 0.000 0.812 190 A CB -0.245 18.983 19.000 0.379 0.000 1.056 190 A HN 0.552 nan 8.150 nan 0.000 0.489 191 P HA 0.050 nan 4.420 nan 0.000 0.268 191 P C 0.765 178.101 177.300 0.059 0.000 1.205 191 P CA -0.259 62.882 63.100 0.068 0.000 0.771 191 P CB 0.443 32.175 31.700 0.054 0.000 0.858 192 N N 2.821 121.539 118.700 0.030 0.000 2.149 192 N HA -0.198 4.541 4.740 -0.001 0.000 0.188 192 N C 1.358 176.873 175.510 0.008 0.000 1.019 192 N CA 1.123 54.177 53.050 0.006 0.000 0.857 192 N CB 0.179 38.663 38.487 -0.005 0.000 0.997 192 N HN 0.515 nan 8.380 nan 0.000 0.426 193 E N 0.533 120.744 120.200 0.018 0.000 2.110 193 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 193 E C 0.814 177.437 176.600 0.038 0.000 0.988 193 E CA 1.185 57.596 56.400 0.019 0.000 0.804 193 E CB -0.452 29.258 29.700 0.016 0.000 0.745 193 E HN 0.348 nan 8.360 nan 0.000 0.458 194 D N 1.119 121.560 120.400 0.069 0.000 2.149 194 D HA -0.059 4.580 4.640 -0.001 0.000 0.201 194 D C 2.271 178.675 176.300 0.172 0.000 0.972 194 D CA 1.010 55.086 54.000 0.126 0.000 0.835 194 D CB -0.137 40.761 40.800 0.163 0.000 0.966 194 D HN 0.088 nan 8.370 nan 0.000 0.476 195 V N 1.178 121.150 119.914 0.096 0.000 2.295 195 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 195 V C 2.432 178.497 176.094 -0.049 0.000 1.049 195 V CA 1.616 63.870 62.300 -0.077 0.000 1.024 195 V CB -0.388 31.302 31.823 -0.221 0.000 0.648 195 V HN 0.148 nan 8.190 nan 0.000 0.447 196 R N -0.137 120.347 120.500 -0.027 0.000 2.092 196 R HA -0.195 4.145 4.340 -0.001 0.000 0.231 196 R C 2.354 178.649 176.300 -0.008 0.000 1.119 196 R CA 1.599 57.682 56.100 -0.028 0.000 0.970 196 R CB -0.284 30.002 30.300 -0.024 0.000 0.864 196 R HN 0.554 nan 8.270 nan 0.000 0.440 197 E N 1.183 121.395 120.200 0.020 0.000 2.072 197 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 197 E C 1.829 178.444 176.600 0.025 0.000 0.985 197 E CA 1.572 57.983 56.400 0.019 0.000 0.801 197 E CB -0.146 29.576 29.700 0.037 0.000 0.750 197 E HN 0.288 nan 8.360 nan 0.000 0.452 198 A N 0.897 123.780 122.820 0.104 0.000 1.902 198 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 198 A C 2.466 180.086 177.584 0.061 0.000 1.181 198 A CA 2.163 54.300 52.037 0.167 0.000 0.623 198 A CB -1.100 18.130 19.000 0.384 0.000 0.818 198 A HN 0.411 nan 8.150 nan 0.000 0.443 199 A N -0.149 122.677 122.820 0.010 0.000 1.902 199 A HA 0.147 4.466 4.320 -0.001 0.000 0.217 199 A C 2.511 180.067 177.584 -0.048 0.000 1.181 199 A CA 2.140 54.157 52.037 -0.034 0.000 0.623 199 A CB -1.026 17.927 19.000 -0.078 0.000 0.818 199 A HN 1.080 nan 8.150 nan 0.000 0.443 200 A N -1.143 121.643 122.820 -0.057 0.000 1.902 200 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 200 A C 2.144 179.642 177.584 -0.143 0.000 1.181 200 A CA 1.629 53.625 52.037 -0.068 0.000 0.623 200 A CB -0.454 18.515 19.000 -0.052 0.000 0.818 200 A HN 0.524 nan 8.150 nan 0.000 0.443 201 Q N -0.289 119.356 119.800 -0.258 0.000 2.050 201 Q HA -0.090 4.250 4.340 -0.001 0.000 0.202 201 Q C 2.241 177.867 176.000 -0.623 0.000 0.980 201 Q CA 1.197 56.646 55.803 -0.590 0.000 0.840 201 Q CB -0.509 27.578 28.738 -1.086 0.000 0.898 201 Q HN 0.710 nan 8.270 nan 0.000 0.424 202 L N 0.019 121.024 121.223 -0.363 0.000 2.012 202 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 202 L C 2.409 179.282 176.870 0.004 0.000 1.073 202 L CA 0.985 55.795 54.840 -0.050 0.000 0.748 202 L CB -0.414 41.705 42.059 0.100 0.000 0.891 202 L HN 0.051 nan 8.230 nan 0.000 0.431 203 V N -0.477 119.440 119.914 0.005 0.000 2.667 203 V HA -0.169 3.951 4.120 -0.001 0.000 0.252 203 V C 2.490 178.595 176.094 0.018 0.000 1.065 203 V CA 1.485 63.821 62.300 0.061 0.000 1.083 203 V CB -0.445 31.443 31.823 0.107 0.000 0.692 203 V HN 0.463 nan 8.190 nan 0.000 0.468 204 A N -0.063 122.733 122.820 -0.039 0.000 2.067 204 A HA 0.388 4.708 4.320 -0.001 0.000 0.217 204 A C 1.523 179.098 177.584 -0.015 0.000 1.156 204 A CA 0.785 52.801 52.037 -0.035 0.000 0.683 204 A CB -0.336 18.625 19.000 -0.065 0.000 0.808 204 A HN 0.524 nan 8.150 nan 0.000 0.455 205 A N 0.037 122.847 122.820 -0.015 0.000 2.462 205 A HA 0.411 4.730 4.320 -0.001 0.000 0.243 205 A C 1.080 178.706 177.584 0.070 0.000 1.076 205 A CA -0.234 51.833 52.037 0.049 0.000 0.773 205 A CB 0.374 19.449 19.000 0.126 0.000 1.010 205 A HN 0.225 nan 8.150 nan 0.000 0.493 206 K N 1.032 121.478 120.400 0.077 0.000 2.137 206 K HA -0.024 4.296 4.320 -0.001 0.000 0.202 206 K C -0.134 176.517 176.600 0.086 0.000 1.052 206 K CA 1.325 57.655 56.287 0.071 0.000 0.961 206 K CB -0.133 32.403 32.500 0.061 0.000 0.741 206 K HN 0.768 nan 8.250 nan 0.000 0.452 207 N N 0.853 119.616 118.700 0.106 0.000 2.687 207 N HA 0.142 4.882 4.740 -0.001 0.000 0.275 207 N C -2.825 172.763 175.510 0.130 0.000 1.789 207 N CA -0.934 52.182 53.050 0.110 0.000 0.806 207 N CB 1.754 40.303 38.487 0.104 0.000 1.256 207 N HN -0.003 nan 8.380 nan 0.000 0.500 208 P HA 0.203 nan 4.420 nan 0.000 0.274 208 P C -0.520 176.839 177.300 0.098 0.000 1.246 208 P CA -0.212 63.001 63.100 0.188 0.000 0.795 208 P CB 1.517 33.358 31.700 0.235 0.000 1.006 209 V N 1.862 121.800 119.914 0.039 0.000 2.888 209 V HA 0.367 4.487 4.120 -0.001 0.000 0.309 209 V C 0.129 176.170 176.094 -0.088 0.000 1.114 209 V CA -0.636 61.636 62.300 -0.046 0.000 0.940 209 V CB 2.174 33.941 31.823 -0.094 0.000 1.021 209 V HN 0.360 nan 8.190 nan 0.000 0.426 210 I N 4.428 124.931 120.570 -0.113 0.000 2.321 210 I HA 0.438 4.607 4.170 -0.001 0.000 0.291 210 I C -0.475 175.535 176.117 -0.177 0.000 0.998 210 I CA -0.320 60.902 61.300 -0.130 0.000 1.227 210 I CB 1.472 39.392 38.000 -0.134 0.000 1.368 210 I HN 0.392 nan 8.210 nan 0.000 0.466 211 L N 7.108 128.227 121.223 -0.174 0.000 2.277 211 L HA 0.680 5.019 4.340 -0.001 0.000 0.284 211 L C -0.150 176.633 176.870 -0.146 0.000 1.028 211 L CA -0.349 54.378 54.840 -0.189 0.000 0.835 211 L CB 0.839 42.758 42.059 -0.234 0.000 1.215 211 L HN 0.718 nan 8.230 nan 0.000 0.425 212 A N 4.099 126.836 122.820 -0.138 0.000 2.258 212 A HA 0.739 5.059 4.320 -0.001 0.000 0.316 212 A C 0.177 177.711 177.584 -0.083 0.000 1.279 212 A CA -0.088 51.894 52.037 -0.091 0.000 0.876 212 A CB 1.096 20.046 19.000 -0.083 0.000 1.170 212 A HN 0.786 nan 8.150 nan 0.000 0.520 213 G N 0.792 109.562 108.800 -0.051 0.000 2.671 213 G HA2 0.454 4.414 3.960 -0.001 0.000 0.275 213 G HA3 0.454 4.414 3.960 -0.001 0.000 0.275 213 G C 1.004 175.900 174.900 -0.007 0.000 1.368 213 G CA 0.026 45.105 45.100 -0.035 0.000 1.044 213 G HN 1.061 nan 8.290 nan 0.000 0.543 214 G N -0.585 108.224 108.800 0.015 0.000 2.448 214 G HA2 0.060 4.020 3.960 -0.001 0.000 0.219 214 G HA3 0.060 4.020 3.960 -0.001 0.000 0.219 214 G C 1.675 176.589 174.900 0.024 0.000 1.127 214 G CA 1.474 46.594 45.100 0.033 0.000 0.766 214 G HN 0.926 nan 8.290 nan 0.000 0.552 215 G N 0.597 109.418 108.800 0.035 0.000 2.450 215 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.220 215 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.220 215 G C 1.722 176.641 174.900 0.033 0.000 1.130 215 G CA 1.135 46.262 45.100 0.044 0.000 0.760 215 G HN 0.328 nan 8.290 nan 0.000 0.557 216 V N 1.348 121.274 119.914 0.020 0.000 2.407 216 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 216 V C 3.261 179.362 176.094 0.013 0.000 1.055 216 V CA 1.947 64.258 62.300 0.018 0.000 1.049 216 V CB -0.767 31.063 31.823 0.011 0.000 0.662 216 V HN 0.491 nan 8.190 nan 0.000 0.455 217 A N 0.065 122.886 122.820 0.002 0.000 1.873 217 A HA -0.228 4.091 4.320 -0.001 0.000 0.215 217 A C 2.420 179.990 177.584 -0.023 0.000 1.186 217 A CA 1.906 53.934 52.037 -0.016 0.000 0.616 217 A CB -0.565 18.415 19.000 -0.035 0.000 0.823 217 A HN 0.458 nan 8.150 nan 0.000 0.442 218 R N -0.527 119.962 120.500 -0.019 0.000 2.105 218 R HA -0.120 4.220 4.340 -0.001 0.000 0.239 218 R C 2.354 178.669 176.300 0.024 0.000 1.135 218 R CA 1.679 57.773 56.100 -0.010 0.000 0.967 218 R CB -0.318 29.982 30.300 -0.001 0.000 0.861 218 R HN 0.475 nan 8.270 nan 0.000 0.442 219 S N -0.838 114.883 115.700 0.036 0.000 2.474 219 S HA -0.002 4.468 4.470 -0.001 0.000 0.235 219 S C 0.933 175.547 174.600 0.023 0.000 0.997 219 S CA 1.021 59.243 58.200 0.037 0.000 0.949 219 S CB -0.156 63.063 63.200 0.033 0.000 0.766 219 S HN 0.717 nan 8.310 nan 0.000 0.517 220 G N 0.136 108.945 108.800 0.015 0.000 2.225 220 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.264 220 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.264 220 G C 0.483 175.393 174.900 0.017 0.000 1.060 220 G CA 0.216 45.323 45.100 0.012 0.000 0.833 220 G HN 0.798 nan 8.290 nan 0.000 0.498 221 G N -0.460 108.353 108.800 0.021 0.000 3.233 221 G HA2 0.358 4.318 3.960 -0.001 0.000 0.227 221 G HA3 0.358 4.318 3.960 -0.001 0.000 0.227 221 G C 1.463 176.384 174.900 0.036 0.000 1.175 221 G CA 1.343 46.460 45.100 0.028 0.000 0.781 221 G HN 0.569 nan 8.290 nan 0.000 0.542 222 S N 0.547 116.268 115.700 0.035 0.000 2.359 222 S HA -0.128 4.342 4.470 -0.001 0.000 0.224 222 S C 2.084 176.716 174.600 0.054 0.000 1.035 222 S CA 1.229 59.457 58.200 0.048 0.000 1.018 222 S CB -0.125 63.094 63.200 0.032 0.000 0.876 222 S HN 0.590 nan 8.310 nan 0.000 0.448 223 E N 0.865 121.088 120.200 0.038 0.000 2.077 223 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 223 E C 2.336 178.963 176.600 0.046 0.000 0.989 223 E CA 1.019 57.441 56.400 0.038 0.000 0.800 223 E CB -0.227 29.490 29.700 0.028 0.000 0.746 223 E HN 0.504 nan 8.360 nan 0.000 0.452 224 A N 0.961 123.804 122.820 0.039 0.000 1.930 224 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 224 A C 2.113 179.725 177.584 0.046 0.000 1.175 224 A CA 0.929 52.987 52.037 0.035 0.000 0.627 224 A CB -0.443 18.571 19.000 0.024 0.000 0.815 224 A HN 0.235 nan 8.150 nan 0.000 0.443 225 L N -0.721 120.539 121.223 0.061 0.000 2.027 225 L HA -0.094 4.246 4.340 -0.001 0.000 0.206 225 L C 2.220 179.157 176.870 0.112 0.000 1.074 225 L CA 1.977 56.856 54.840 0.066 0.000 0.745 225 L CB -0.661 41.444 42.059 0.076 0.000 0.898 225 L HN 0.334 nan 8.230 nan 0.000 0.433 226 L N 0.061 121.386 121.223 0.171 0.000 2.012 226 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 226 L C 2.609 179.557 176.870 0.129 0.000 1.073 226 L CA 2.333 57.292 54.840 0.198 0.000 0.748 226 L CB -0.897 41.217 42.059 0.090 0.000 0.891 226 L HN 0.431 nan 8.230 nan 0.000 0.431 227 K N -1.027 119.427 120.400 0.091 0.000 2.032 227 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 227 K C 2.167 178.809 176.600 0.070 0.000 1.048 227 K CA 1.935 58.269 56.287 0.078 0.000 0.927 227 K CB -0.403 32.130 32.500 0.056 0.000 0.712 227 K HN 0.305 nan 8.250 nan 0.000 0.441 228 L N 1.001 122.252 121.223 0.046 0.000 1.994 228 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 228 L C 2.258 179.148 176.870 0.032 0.000 1.071 228 L CA 2.268 57.125 54.840 0.029 0.000 0.745 228 L CB -0.908 41.159 42.059 0.014 0.000 0.892 228 L HN 0.268 nan 8.230 nan 0.000 0.431 229 A N -0.925 121.890 122.820 -0.008 0.000 1.902 229 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 229 A C 2.175 179.756 177.584 -0.006 0.000 1.181 229 A CA 1.891 53.882 52.037 -0.077 0.000 0.623 229 A CB -0.693 18.134 19.000 -0.289 0.000 0.818 229 A HN 0.638 nan 8.150 nan 0.000 0.443 230 E N -1.116 119.112 120.200 0.047 0.000 2.106 230 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 230 E C 2.031 178.759 176.600 0.213 0.000 0.984 230 E CA 1.208 57.692 56.400 0.140 0.000 0.806 230 E CB -0.224 29.608 29.700 0.220 0.000 0.750 230 E HN 0.748 nan 8.360 nan 0.000 0.458 231 M N 0.894 120.602 119.600 0.179 0.000 2.099 231 M HA -0.145 4.334 4.480 -0.001 0.000 0.262 231 M C 2.285 178.776 176.300 0.318 0.000 1.067 231 M CA 1.467 56.909 55.300 0.236 0.000 1.124 231 M CB 0.152 32.854 32.600 0.170 0.000 1.353 231 M HN 0.106 nan 8.290 nan 0.000 0.410 232 V N -2.490 117.571 119.914 0.244 0.000 3.052 232 V HA 0.327 4.446 4.120 -0.001 0.000 0.254 232 V C 1.199 177.408 176.094 0.192 0.000 1.100 232 V CA 0.619 63.078 62.300 0.266 0.000 1.112 232 V CB -1.282 30.662 31.823 0.201 0.000 0.738 232 V HN 0.691 nan 8.190 nan 0.000 0.469 233 G N 0.390 109.293 108.800 0.170 0.000 2.368 233 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.290 233 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.290 233 G C -0.352 174.643 174.900 0.157 0.000 1.098 233 G CA 0.137 45.349 45.100 0.186 0.000 1.073 233 G HN 0.963 nan 8.290 nan 0.000 0.511 234 V N 1.875 121.841 119.914 0.086 0.000 2.531 234 V HA 0.580 4.699 4.120 -0.001 0.000 0.301 234 V C -1.650 174.428 176.094 -0.027 0.000 1.034 234 V CA -1.683 60.651 62.300 0.057 0.000 0.865 234 V CB 2.402 34.257 31.823 0.052 0.000 0.995 234 V HN 0.311 nan 8.190 nan 0.000 0.424 235 P HA 0.125 nan 4.420 nan 0.000 0.267 235 P C -0.736 176.453 177.300 -0.185 0.000 1.200 235 P CA 0.131 63.202 63.100 -0.048 0.000 0.772 235 P CB 0.955 32.674 31.700 0.032 0.000 0.855 236 V N 3.763 123.485 119.914 -0.319 0.000 2.417 236 V HA 0.249 4.369 4.120 -0.001 0.000 0.291 236 V C 0.476 176.409 176.094 -0.268 0.000 1.024 236 V CA -0.630 61.414 62.300 -0.426 0.000 0.861 236 V CB 1.846 33.108 31.823 -0.934 0.000 0.985 236 V HN 0.272 nan 8.190 nan 0.000 0.436 237 V N 4.386 124.157 119.914 -0.237 0.000 2.581 237 V HA 0.682 4.802 4.120 -0.001 0.000 0.303 237 V C 0.411 176.364 176.094 -0.235 0.000 1.041 237 V CA -0.308 61.854 62.300 -0.231 0.000 0.907 237 V CB 2.303 33.998 31.823 -0.214 0.000 0.994 237 V HN 1.040 nan 8.190 nan 0.000 0.442 238 T N -0.085 114.313 114.554 -0.259 0.000 2.940 238 T HA 0.669 5.019 4.350 -0.001 0.000 0.288 238 T C 0.070 174.631 174.700 -0.232 0.000 1.045 238 T CA -0.315 61.649 62.100 -0.227 0.000 1.018 238 T CB 1.781 70.518 68.868 -0.219 0.000 1.151 238 T HN 0.805 nan 8.240 nan 0.000 0.529 239 T N -0.994 113.450 114.554 -0.183 0.000 2.824 239 T HA 0.351 4.700 4.350 -0.001 0.000 0.277 239 T C 1.364 175.940 174.700 -0.207 0.000 0.975 239 T CA -0.461 61.538 62.100 -0.168 0.000 0.966 239 T CB 0.551 69.357 68.868 -0.103 0.000 1.054 239 T HN 0.503 nan 8.240 nan 0.000 0.533 240 S N 0.333 115.898 115.700 -0.225 0.000 2.423 240 S HA -0.066 4.404 4.470 -0.001 0.000 0.231 240 S C 2.236 176.695 174.600 -0.235 0.000 1.014 240 S CA 1.386 59.363 58.200 -0.372 0.000 0.965 240 S CB -0.753 62.125 63.200 -0.536 0.000 0.785 240 S HN 0.986 nan 8.310 nan 0.000 0.495 241 T N -0.998 113.501 114.554 -0.091 0.000 3.043 241 T HA 0.128 4.477 4.350 -0.001 0.000 0.263 241 T C 1.807 176.525 174.700 0.031 0.000 1.094 241 T CA 0.898 63.023 62.100 0.042 0.000 1.127 241 T CB -0.257 68.686 68.868 0.126 0.000 0.905 241 T HN 0.341 nan 8.240 nan 0.000 0.490 242 G N 1.207 109.983 108.800 -0.040 0.000 2.603 242 G HA2 0.447 4.406 3.960 -0.001 0.000 0.214 242 G HA3 0.447 4.406 3.960 -0.001 0.000 0.214 242 G C 0.734 175.593 174.900 -0.068 0.000 1.140 242 G CA 0.035 45.107 45.100 -0.046 0.000 0.800 242 G HN 0.817 nan 8.290 nan 0.000 0.533 243 A N -0.188 122.559 122.820 -0.123 0.000 2.567 243 A HA 0.463 4.782 4.320 -0.001 0.000 0.240 243 A C 1.709 179.259 177.584 -0.056 0.000 1.053 243 A CA 1.159 53.109 52.037 -0.144 0.000 0.755 243 A CB -0.336 18.530 19.000 -0.223 0.000 0.978 243 A HN 1.656 nan 8.150 nan 0.000 0.507 244 G N 0.369 109.151 108.800 -0.030 0.000 2.213 244 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.236 244 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.236 244 G C 1.071 175.983 174.900 0.020 0.000 0.991 244 G CA 0.683 45.788 45.100 0.009 0.000 0.629 244 G HN 2.146 nan 8.290 nan 0.000 0.517 245 V N -2.461 117.470 119.914 0.028 0.000 2.759 245 V HA 0.490 4.610 4.120 -0.001 0.000 0.256 245 V C 1.112 177.274 176.094 0.113 0.000 1.080 245 V CA 1.593 63.923 62.300 0.049 0.000 1.101 245 V CB -0.361 31.484 31.823 0.037 0.000 0.698 245 V HN 0.757 nan 8.190 nan 0.000 0.477 246 F N 2.455 122.369 119.950 -0.060 0.000 2.507 246 F HA 0.740 5.267 4.527 -0.001 0.000 0.325 246 F C -2.615 173.166 175.800 -0.031 0.000 1.116 246 F CA -3.108 54.851 58.000 -0.068 0.000 0.930 246 F CB 2.056 40.989 39.000 -0.112 0.000 1.146 246 F HN -0.100 nan 8.300 nan 0.000 0.447 247 P HA 0.050 nan 4.420 nan 0.000 0.267 247 P C -0.508 176.719 177.300 -0.122 0.000 1.209 247 P CA 0.309 63.264 63.100 -0.241 0.000 0.763 247 P CB 0.696 32.259 31.700 -0.228 0.000 0.816 248 E N 0.940 121.169 120.200 0.049 0.000 2.476 248 E HA -0.030 4.319 4.350 -0.001 0.000 0.191 248 E C 0.913 177.663 176.600 0.250 0.000 1.064 248 E CA 0.490 56.998 56.400 0.180 0.000 0.866 248 E CB -0.114 29.726 29.700 0.233 0.000 0.952 248 E HN 0.574 nan 8.360 nan 0.000 0.492 249 T N -2.180 112.469 114.554 0.158 0.000 3.081 249 T HA -0.032 4.318 4.350 -0.001 0.000 0.250 249 T C 0.810 175.599 174.700 0.148 0.000 1.100 249 T CA -0.196 61.992 62.100 0.148 0.000 1.038 249 T CB 0.028 68.951 68.868 0.091 0.000 0.962 249 T HN 0.092 nan 8.240 nan 0.000 0.516 250 H N 1.231 120.324 119.070 0.038 0.000 2.732 250 H HA 0.487 5.043 4.556 -0.001 0.000 0.351 250 H C 1.532 176.974 175.328 0.189 0.000 1.090 250 H CA 0.355 56.430 56.048 0.045 0.000 1.431 250 H CB 1.363 31.012 29.762 -0.190 0.000 1.447 250 H HN 0.199 nan 8.280 nan 0.000 0.582 251 A N 5.300 128.266 122.820 0.244 0.000 2.024 251 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 251 A C 2.477 180.352 177.584 0.485 0.000 1.164 251 A CA 1.075 53.349 52.037 0.396 0.000 0.643 251 A CB -0.350 19.008 19.000 0.596 0.000 0.806 251 A HN 0.750 nan 8.150 nan 0.000 0.451 252 L N -0.846 120.795 121.223 0.698 0.000 2.554 252 L HA 0.132 4.471 4.340 -0.001 0.000 0.226 252 L C 1.274 178.335 176.870 0.319 0.000 1.137 252 L CA 0.023 55.113 54.840 0.416 0.000 0.863 252 L CB -0.245 41.925 42.059 0.186 0.000 0.985 252 L HN 0.371 nan 8.230 nan 0.000 0.451 253 A N 0.252 123.356 122.820 0.473 0.000 2.350 253 A HA 0.291 4.611 4.320 -0.001 0.000 0.293 253 A C 1.063 178.787 177.584 0.235 0.000 1.231 253 A CA -0.237 52.023 52.037 0.373 0.000 0.883 253 A CB 0.341 19.602 19.000 0.435 0.000 1.133 253 A HN 0.135 nan 8.150 nan 0.000 0.533 254 M N 2.134 121.785 119.600 0.085 0.000 2.509 254 M HA 0.176 4.656 4.480 -0.001 0.000 0.250 254 M C 1.217 177.474 176.300 -0.071 0.000 1.132 254 M CA 1.154 56.493 55.300 0.064 0.000 1.080 254 M CB -1.444 31.154 32.600 -0.003 0.000 1.408 254 M HN 1.222 nan 8.290 nan 0.000 0.484 255 G N 0.540 109.106 108.800 -0.390 0.000 2.615 255 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.218 255 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.218 255 G C -0.657 173.771 174.900 -0.785 0.000 1.339 255 G CA -0.497 43.910 45.100 -1.156 0.000 0.884 255 G HN 0.352 nan 8.290 nan 0.000 0.559 256 S N 0.489 115.607 115.700 -0.970 0.000 2.499 256 S HA 0.700 5.170 4.470 -0.001 0.000 0.279 256 S C 0.804 175.173 174.600 -0.386 0.000 1.219 256 S CA 0.345 58.213 58.200 -0.552 0.000 1.062 256 S CB 1.347 64.249 63.200 -0.496 0.000 0.978 256 S HN 1.741 nan 8.310 nan 0.000 0.489 257 A N 2.529 125.175 122.820 -0.290 0.000 2.332 257 A HA 0.852 5.172 4.320 -0.001 0.000 0.258 257 A C 0.863 178.349 177.584 -0.164 0.000 1.087 257 A CA 0.299 52.201 52.037 -0.225 0.000 0.802 257 A CB -0.255 18.614 19.000 -0.218 0.000 1.042 257 A HN 1.529 nan 8.150 nan 0.000 0.489 258 G N -1.191 107.539 108.800 -0.118 0.000 2.354 258 G HA2 0.224 4.184 3.960 -0.001 0.000 0.582 258 G HA3 0.224 4.184 3.960 -0.001 0.000 0.582 258 G C 0.076 174.977 174.900 0.001 0.000 1.316 258 G CA 0.052 45.133 45.100 -0.032 0.000 0.995 258 G HN 1.890 nan 8.290 nan 0.000 0.573 259 F N -1.280 118.606 119.950 -0.105 0.000 2.558 259 F HA 0.337 4.864 4.527 -0.001 0.000 0.298 259 F C 1.747 177.500 175.800 -0.079 0.000 1.119 259 F CA 1.205 59.130 58.000 -0.126 0.000 1.451 259 F CB -0.007 38.874 39.000 -0.198 0.000 1.091 259 F HN 0.360 nan 8.300 nan 0.000 0.563 260 C N 1.658 120.640 119.300 -0.530 0.000 2.881 260 C HA 0.569 5.028 4.460 -0.001 0.000 0.290 260 C C 1.718 176.756 174.990 0.079 0.000 1.362 260 C CA -0.245 58.586 59.018 -0.312 0.000 1.757 260 C CB -1.286 26.119 27.740 -0.558 0.000 2.265 260 C HN 0.666 nan 8.230 nan 0.000 0.600 261 G N -0.696 108.126 108.800 0.037 0.000 2.574 261 G HA2 0.446 4.406 3.960 -0.001 0.000 0.248 261 G HA3 0.446 4.406 3.960 -0.001 0.000 0.248 261 G C -1.112 173.821 174.900 0.054 0.000 1.422 261 G CA -0.176 44.976 45.100 0.086 0.000 1.051 261 G HN 0.349 nan 8.290 nan 0.000 0.560 262 W N 0.025 120.998 121.300 -0.545 0.000 2.417 262 W HA 0.544 5.203 4.660 -0.000 0.000 0.317 262 W C 1.238 177.060 176.519 -1.162 0.000 1.121 262 W CA -1.482 55.073 57.345 -1.318 0.000 1.208 262 W CB 1.627 30.375 29.460 -1.186 0.000 1.253 262 W HN 0.585 nan 8.180 nan 0.000 0.533 263 K N 1.204 120.884 120.400 -1.199 0.000 2.209 263 K HA -0.189 4.130 4.320 -0.001 0.000 0.204 263 K C 1.861 178.246 176.600 -0.358 0.000 1.048 263 K CA 1.921 57.912 56.287 -0.493 0.000 0.940 263 K CB 0.099 32.471 32.500 -0.212 0.000 0.729 263 K HN 0.479 nan 8.250 nan 0.000 0.451 264 S N 0.507 116.011 115.700 -0.327 0.000 2.359 264 S HA -0.195 4.275 4.470 -0.001 0.000 0.224 264 S C 2.208 176.690 174.600 -0.197 0.000 1.035 264 S CA 1.086 59.220 58.200 -0.111 0.000 1.018 264 S CB -0.565 62.706 63.200 0.119 0.000 0.876 264 S HN 0.395 nan 8.310 nan 0.000 0.448 265 A N 3.152 125.836 122.820 -0.227 0.000 1.877 265 A HA -0.116 4.204 4.320 -0.001 0.000 0.216 265 A C 2.181 179.606 177.584 -0.265 0.000 1.186 265 A CA 1.632 53.528 52.037 -0.235 0.000 0.620 265 A CB -0.905 17.930 19.000 -0.275 0.000 0.822 265 A HN 0.547 nan 8.150 nan 0.000 0.443 266 N N 0.600 119.127 118.700 -0.287 0.000 2.166 266 N HA -0.134 4.605 4.740 -0.001 0.000 0.186 266 N C 1.111 176.423 175.510 -0.330 0.000 1.019 266 N CA 1.557 54.445 53.050 -0.269 0.000 0.856 266 N CB -0.486 37.860 38.487 -0.235 0.000 0.993 266 N HN 0.441 nan 8.380 nan 0.000 0.426 267 D N 0.618 120.735 120.400 -0.472 0.000 2.117 267 D HA -0.126 4.514 4.640 -0.001 0.000 0.197 267 D C 1.923 177.714 176.300 -0.848 0.000 0.987 267 D CA 0.711 54.229 54.000 -0.803 0.000 0.829 267 D CB -0.190 39.798 40.800 -1.354 0.000 0.961 267 D HN 0.143 nan 8.370 nan 0.000 0.460 268 M N -0.037 119.205 119.600 -0.596 0.000 2.086 268 M HA -0.101 4.379 4.480 -0.001 0.000 0.261 268 M C 1.821 178.051 176.300 -0.117 0.000 1.067 268 M CA 1.174 56.377 55.300 -0.163 0.000 1.116 268 M CB -0.161 32.443 32.600 0.006 0.000 1.348 268 M HN -0.122 nan 8.290 nan 0.000 0.407 269 M N -0.432 119.062 119.600 -0.178 0.000 2.159 269 M HA -0.073 4.406 4.480 -0.001 0.000 0.263 269 M C 2.256 178.478 176.300 -0.130 0.000 1.063 269 M CA 1.737 56.942 55.300 -0.160 0.000 1.110 269 M CB -1.775 30.708 32.600 -0.195 0.000 1.374 269 M HN 0.452 nan 8.290 nan 0.000 0.411 270 A N -0.185 122.545 122.820 -0.149 0.000 1.969 270 A HA 0.090 4.409 4.320 -0.001 0.000 0.218 270 A C 2.322 179.882 177.584 -0.041 0.000 1.169 270 A CA 1.769 53.744 52.037 -0.103 0.000 0.635 270 A CB -0.625 18.296 19.000 -0.130 0.000 0.810 270 A HN 0.478 nan 8.150 nan 0.000 0.445 271 A N -0.536 122.278 122.820 -0.010 0.000 2.072 271 A HA 0.572 4.892 4.320 -0.001 0.000 0.216 271 A C 1.435 179.069 177.584 0.083 0.000 1.156 271 A CA 0.746 52.840 52.037 0.096 0.000 0.701 271 A CB -0.694 18.475 19.000 0.281 0.000 0.816 271 A HN 0.939 nan 8.150 nan 0.000 0.458 272 A N 1.066 123.914 122.820 0.047 0.000 2.462 272 A HA 0.385 4.705 4.320 -0.001 0.000 0.243 272 A C 0.730 178.351 177.584 0.061 0.000 1.076 272 A CA 0.323 52.390 52.037 0.050 0.000 0.773 272 A CB 0.201 19.199 19.000 -0.003 0.000 1.010 272 A HN 0.463 nan 8.150 nan 0.000 0.493 273 D N 0.115 120.578 120.400 0.104 0.000 2.367 273 D HA 0.160 4.799 4.640 -0.001 0.000 0.207 273 D C -0.224 176.210 176.300 0.223 0.000 1.034 273 D CA 0.195 54.275 54.000 0.134 0.000 0.861 273 D CB 0.122 40.998 40.800 0.125 0.000 0.943 273 D HN 0.291 nan 8.370 nan 0.000 0.515 274 F N 0.457 120.437 119.950 0.050 0.000 2.635 274 F HA 0.470 4.997 4.527 -0.001 0.000 0.314 274 F C -2.113 173.719 175.800 0.052 0.000 1.119 274 F CA -1.057 56.981 58.000 0.064 0.000 1.000 274 F CB 1.751 40.789 39.000 0.063 0.000 1.278 274 F HN -0.260 nan 8.300 nan 0.000 0.446 275 V N 6.069 125.361 119.914 -1.038 0.000 2.588 275 V HA 0.492 4.611 4.120 -0.001 0.000 0.304 275 V C -1.184 174.336 176.094 -0.956 0.000 1.042 275 V CA -0.797 61.053 62.300 -0.750 0.000 0.877 275 V CB 1.745 33.323 31.823 -0.408 0.000 0.996 275 V HN 0.711 nan 8.190 nan 0.000 0.425 276 L N 6.316 127.250 121.223 -0.482 0.000 2.255 276 L HA 0.596 4.936 4.340 -0.001 0.000 0.289 276 L C -0.402 176.401 176.870 -0.111 0.000 1.046 276 L CA 0.172 54.921 54.840 -0.152 0.000 0.816 276 L CB 1.290 43.405 42.059 0.094 0.000 1.197 276 L HN 0.467 nan 8.230 nan 0.000 0.427 277 V N 7.091 126.964 119.914 -0.068 0.000 2.364 277 V HA 0.383 4.503 4.120 -0.001 0.000 0.272 277 V C 0.043 176.142 176.094 0.010 0.000 1.036 277 V CA -0.385 61.863 62.300 -0.086 0.000 0.880 277 V CB 1.132 32.825 31.823 -0.217 0.000 0.991 277 V HN 0.576 nan 8.190 nan 0.000 0.460 278 L N 4.329 125.544 121.223 -0.013 0.000 2.343 278 L HA 0.657 4.997 4.340 -0.001 0.000 0.278 278 L C 1.015 177.898 176.870 0.021 0.000 0.996 278 L CA -0.532 54.310 54.840 0.004 0.000 0.831 278 L CB 1.566 43.628 42.059 0.004 0.000 1.232 278 L HN 0.848 nan 8.230 nan 0.000 0.413 279 G N 1.883 110.713 108.800 0.050 0.000 2.273 279 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.280 279 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.280 279 G C 0.021 174.959 174.900 0.063 0.000 1.047 279 G CA 0.707 45.840 45.100 0.055 0.000 0.869 279 G HN 0.608 nan 8.290 nan 0.000 0.502 280 S N -1.137 114.625 115.700 0.104 0.000 2.526 280 S HA 0.682 5.152 4.470 -0.001 0.000 0.293 280 S C 1.272 175.987 174.600 0.192 0.000 1.092 280 S CA -0.050 58.201 58.200 0.084 0.000 0.980 280 S CB 0.938 64.125 63.200 -0.022 0.000 1.048 280 S HN 0.738 nan 8.310 nan 0.000 0.483 281 R N 3.416 123.999 120.500 0.140 0.000 2.334 281 R HA 0.344 4.684 4.340 -0.001 0.000 0.216 281 R C 0.026 176.431 176.300 0.176 0.000 0.905 281 R CA -0.057 56.154 56.100 0.184 0.000 1.064 281 R CB -0.806 29.575 30.300 0.135 0.000 1.046 281 R HN 0.678 nan 8.270 nan 0.000 0.508 282 L N 2.904 124.174 121.223 0.079 0.000 3.713 282 L HA -0.237 4.102 4.340 -0.001 0.000 0.499 282 L C -0.008 176.901 176.870 0.064 0.000 1.281 282 L CA 0.651 55.504 54.840 0.021 0.000 0.796 282 L CB -1.952 40.127 42.059 0.033 0.000 1.535 282 L HN 0.551 nan 8.230 nan 0.000 0.851 283 S N -2.429 113.279 115.700 0.013 0.000 2.669 283 S HA 0.299 4.769 4.470 -0.001 0.000 0.270 283 S C 0.982 175.493 174.600 -0.147 0.000 1.225 283 S CA -0.165 58.026 58.200 -0.014 0.000 0.991 283 S CB 2.240 65.461 63.200 0.035 0.000 0.987 283 S HN 0.414 nan 8.310 nan 0.000 0.552 284 D N 0.368 120.629 120.400 -0.231 0.000 2.127 284 D HA -0.157 4.483 4.640 -0.001 0.000 0.190 284 D C 0.680 177.044 176.300 0.107 0.000 1.000 284 D CA 1.622 55.430 54.000 -0.320 0.000 0.839 284 D CB -0.218 40.503 40.800 -0.131 0.000 0.955 284 D HN 0.743 nan 8.370 nan 0.000 0.446 285 W N 0.720 121.979 121.300 -0.068 0.000 3.353 285 W HA 0.460 5.119 4.660 -0.001 0.000 0.304 285 W C 1.326 177.926 176.519 0.135 0.000 1.273 285 W CA -0.049 57.356 57.345 0.100 0.000 1.773 285 W CB -0.371 29.209 29.460 0.200 0.000 1.095 285 W HN -0.007 nan 8.180 nan 0.000 0.676 286 G N -0.174 108.746 108.800 0.201 0.000 3.365 286 G HA2 0.149 4.108 3.960 -0.001 0.000 0.185 286 G HA3 0.149 4.108 3.960 -0.001 0.000 0.185 286 G C 0.965 175.865 174.900 0.001 0.000 1.565 286 G CA -0.165 44.986 45.100 0.085 0.000 0.984 286 G HN -0.193 nan 8.290 nan 0.000 0.604 287 I N 1.713 122.239 120.570 -0.074 0.000 2.264 287 I HA -0.134 4.036 4.170 -0.001 0.000 0.248 287 I C 3.175 179.204 176.117 -0.147 0.000 1.111 287 I CA 1.505 62.715 61.300 -0.148 0.000 1.382 287 I CB -1.453 36.405 38.000 -0.237 0.000 1.060 287 I HN 0.355 nan 8.210 nan 0.000 0.418 288 A N -0.258 122.487 122.820 -0.125 0.000 2.015 288 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 288 A C 1.236 178.738 177.584 -0.137 0.000 1.163 288 A CA 0.488 52.462 52.037 -0.105 0.000 0.646 288 A CB -0.522 18.253 19.000 -0.375 0.000 0.806 288 A HN 0.614 nan 8.150 nan 0.000 0.448 289 Q N -2.325 117.398 119.800 -0.128 0.000 2.443 289 Q HA -0.207 4.132 4.340 -0.001 0.000 0.337 289 Q C 0.709 176.608 176.000 -0.169 0.000 1.401 289 Q CA 0.438 56.164 55.803 -0.128 0.000 0.943 289 Q CB -2.313 26.368 28.738 -0.095 0.000 1.177 289 Q HN 1.709 nan 8.270 nan 0.000 0.394 290 G N -0.577 108.110 108.800 -0.189 0.000 2.147 290 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.244 290 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.244 290 G C -0.042 174.852 174.900 -0.011 0.000 1.005 290 G CA 0.135 45.183 45.100 -0.086 0.000 0.713 290 G HN 0.708 nan 8.290 nan 0.000 0.515 291 Y N -3.094 117.127 120.300 -0.131 0.000 4.032 291 Y HA -0.250 4.300 4.550 -0.001 0.000 0.230 291 Y C 1.883 177.780 175.900 -0.005 0.000 1.202 291 Y CA 1.011 58.969 58.100 -0.237 0.000 1.878 291 Y CB -2.065 36.026 38.460 -0.614 0.000 1.586 291 Y HN 0.448 nan 8.280 nan 0.000 0.673 292 I N -1.659 118.967 120.570 0.093 0.000 3.339 292 I HA -0.021 4.149 4.170 -0.001 0.000 0.285 292 I C 1.254 177.435 176.117 0.106 0.000 1.201 292 I CA 0.490 61.842 61.300 0.087 0.000 1.434 292 I CB 0.161 38.169 38.000 0.014 0.000 1.152 292 I HN 0.083 nan 8.210 nan 0.000 0.443 293 T N 4.003 118.617 114.554 0.100 0.000 2.934 293 T HA 0.028 4.377 4.350 -0.001 0.000 0.306 293 T C 0.234 175.020 174.700 0.144 0.000 1.042 293 T CA 0.051 62.185 62.100 0.056 0.000 1.145 293 T CB 0.230 69.072 68.868 -0.044 0.000 0.982 293 T HN 0.024 nan 8.240 nan 0.000 0.544 294 K N 4.286 124.720 120.400 0.056 0.000 2.268 294 K HA 0.289 4.608 4.320 -0.001 0.000 0.276 294 K C -0.040 176.539 176.600 -0.035 0.000 1.080 294 K CA -0.485 55.848 56.287 0.076 0.000 0.910 294 K CB 0.819 33.349 32.500 0.050 0.000 1.163 294 K HN 0.483 nan 8.250 nan 0.000 0.465 295 M N 3.907 123.453 119.600 -0.090 0.000 2.219 295 M HA 0.178 4.657 4.480 -0.001 0.000 0.353 295 M C -1.836 174.442 176.300 -0.037 0.000 1.304 295 M CA -1.931 53.227 55.300 -0.237 0.000 1.115 295 M CB -0.364 31.923 32.600 -0.522 0.000 1.664 295 M HN 0.227 nan 8.290 nan 0.000 0.459 296 P HA 0.066 nan 4.420 nan 0.000 0.271 296 P C -0.629 176.772 177.300 0.167 0.000 1.244 296 P CA -0.447 62.679 63.100 0.044 0.000 0.793 296 P CB 0.334 32.035 31.700 0.000 0.000 0.984 297 K N 1.355 121.876 120.400 0.202 0.000 2.524 297 K HA 0.153 4.472 4.320 -0.001 0.000 0.279 297 K C -0.925 175.843 176.600 0.280 0.000 0.993 297 K CA 0.170 56.615 56.287 0.263 0.000 1.030 297 K CB -0.403 32.237 32.500 0.234 0.000 0.891 297 K HN 0.472 nan 8.250 nan 0.000 0.488 298 F N 0.422 120.381 119.950 0.016 0.000 2.641 298 F HA 0.462 4.988 4.527 -0.001 0.000 0.308 298 F C -1.771 174.038 175.800 0.015 0.000 1.105 298 F CA -1.323 56.575 58.000 -0.170 0.000 0.964 298 F CB 0.935 39.772 39.000 -0.273 0.000 1.294 298 F HN 0.109 nan 8.300 nan 0.000 0.442 299 V N 2.670 122.616 119.914 0.053 0.000 2.439 299 V HA 0.327 4.446 4.120 -0.001 0.000 0.282 299 V C -0.766 175.410 176.094 0.137 0.000 1.039 299 V CA -0.363 61.983 62.300 0.077 0.000 0.913 299 V CB 1.177 33.140 31.823 0.233 0.000 0.983 299 V HN 0.972 nan 8.190 nan 0.000 0.460 300 H N 3.258 122.312 119.070 -0.027 0.000 2.646 300 H HA 0.668 5.224 4.556 -0.001 0.000 0.328 300 H C -1.381 173.894 175.328 -0.087 0.000 0.998 300 H CA -0.677 55.400 56.048 0.049 0.000 1.225 300 H CB 1.708 31.571 29.762 0.169 0.000 1.457 300 H HN 0.485 nan 8.280 nan 0.000 0.505 301 V N 6.045 125.991 119.914 0.053 0.000 2.409 301 V HA 0.284 4.404 4.120 -0.001 0.000 0.291 301 V C -0.268 175.756 176.094 -0.117 0.000 1.020 301 V CA -0.564 61.609 62.300 -0.212 0.000 0.848 301 V CB 1.515 33.016 31.823 -0.537 0.000 0.990 301 V HN 0.838 nan 8.190 nan 0.000 0.430 302 D N 2.037 122.345 120.400 -0.153 0.000 2.609 302 D HA 0.228 4.867 4.640 -0.001 0.000 0.239 302 D C 0.698 176.946 176.300 -0.087 0.000 1.229 302 D CA -0.002 53.939 54.000 -0.097 0.000 0.808 302 D CB 3.000 43.717 40.800 -0.139 0.000 1.448 302 D HN 0.561 nan 8.370 nan 0.000 0.433 303 T N -1.518 113.005 114.554 -0.052 0.000 3.088 303 T HA 0.034 4.384 4.350 -0.001 0.000 0.259 303 T C 0.464 175.139 174.700 -0.041 0.000 1.122 303 T CA 0.206 62.252 62.100 -0.091 0.000 1.095 303 T CB 0.192 68.928 68.868 -0.220 0.000 0.930 303 T HN 0.168 nan 8.240 nan 0.000 0.508 304 D N 2.126 122.526 120.400 0.000 0.000 2.460 304 D HA 0.342 4.982 4.640 -0.001 0.000 0.232 304 D C -1.966 174.322 176.300 -0.019 0.000 1.079 304 D CA -2.788 51.224 54.000 0.020 0.000 0.864 304 D CB 1.908 42.745 40.800 0.061 0.000 1.048 304 D HN -0.060 nan 8.370 nan 0.000 0.523 305 P HA -0.096 nan 4.420 nan 0.000 0.219 305 P C 1.073 178.360 177.300 -0.021 0.000 1.146 305 P CA 0.849 63.926 63.100 -0.038 0.000 0.808 305 P CB 0.216 31.899 31.700 -0.028 0.000 0.779 306 A N -0.075 122.749 122.820 0.006 0.000 2.024 306 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 306 A C 2.163 179.777 177.584 0.050 0.000 1.164 306 A CA 1.996 54.051 52.037 0.029 0.000 0.643 306 A CB -1.638 17.385 19.000 0.039 0.000 0.806 306 A HN 0.255 nan 8.150 nan 0.000 0.451 307 V N -2.607 117.329 119.914 0.036 0.000 3.129 307 V HA 0.250 4.370 4.120 -0.001 0.000 0.259 307 V C 0.785 176.923 176.094 0.075 0.000 1.116 307 V CA 0.328 62.676 62.300 0.080 0.000 1.127 307 V CB -0.764 31.113 31.823 0.089 0.000 0.742 307 V HN 0.320 nan 8.190 nan 0.000 0.474 308 L N 2.804 124.001 121.223 -0.043 0.000 2.342 308 L HA 0.641 4.980 4.340 -0.001 0.000 0.285 308 L C 1.365 178.270 176.870 0.058 0.000 1.095 308 L CA 0.563 55.352 54.840 -0.085 0.000 0.843 308 L CB 0.253 42.208 42.059 -0.173 0.000 1.201 308 L HN 0.516 nan 8.230 nan 0.000 0.445 309 G N 1.614 110.542 108.800 0.214 0.000 2.141 309 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.242 309 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.242 309 G C 0.844 175.894 174.900 0.250 0.000 0.982 309 G CA 0.592 45.809 45.100 0.193 0.000 0.662 309 G HN 0.609 nan 8.290 nan 0.000 0.527 310 T N -1.793 112.932 114.554 0.284 0.000 2.821 310 T HA 0.189 4.539 4.350 -0.001 0.000 0.267 310 T C 1.650 176.562 174.700 0.354 0.000 1.046 310 T CA 2.259 64.523 62.100 0.272 0.000 1.139 310 T CB -0.053 68.952 68.868 0.228 0.000 0.871 310 T HN 0.730 nan 8.240 nan 0.000 0.454 311 F N -1.198 118.900 119.950 0.247 0.000 2.421 311 F HA 0.417 4.944 4.527 -0.001 0.000 0.270 311 F C -0.664 175.123 175.800 -0.022 0.000 0.894 311 F CA -0.831 57.204 58.000 0.059 0.000 1.128 311 F CB 0.711 39.704 39.000 -0.011 0.000 1.011 311 F HN -0.055 nan 8.300 nan 0.000 0.788 312 Y N 2.016 122.603 120.300 0.478 0.000 2.383 312 Y HA 0.301 4.851 4.550 -0.001 0.000 0.344 312 Y C -0.739 175.533 175.900 0.619 0.000 0.986 312 Y CA -0.853 57.510 58.100 0.438 0.000 1.175 312 Y CB 0.221 38.958 38.460 0.462 0.000 1.152 312 Y HN -0.151 nan 8.280 nan 0.000 0.511 313 F N 5.251 125.376 119.950 0.292 0.000 2.438 313 F HA 0.315 4.842 4.527 -0.001 0.000 0.360 313 F C -1.943 173.820 175.800 -0.061 0.000 1.118 313 F CA -3.773 54.294 58.000 0.110 0.000 1.164 313 F CB 0.073 39.089 39.000 0.027 0.000 1.131 313 F HN 0.338 nan 8.300 nan 0.000 0.527 314 P HA 0.119 nan 4.420 nan 0.000 0.276 314 P C 1.007 178.105 177.300 -0.336 0.000 1.244 314 P CA -0.559 62.049 63.100 -0.821 0.000 0.801 314 P CB 1.038 32.325 31.700 -0.689 0.000 1.006 315 L N 1.719 122.760 121.223 -0.303 0.000 2.079 315 L HA 0.010 4.349 4.340 -0.001 0.000 0.210 315 L C 0.349 177.175 176.870 -0.074 0.000 1.081 315 L CA 2.080 56.864 54.840 -0.092 0.000 0.752 315 L CB -0.396 41.670 42.059 0.012 0.000 0.896 315 L HN 0.305 nan 8.230 nan 0.000 0.433 316 L N -0.908 120.255 121.223 -0.100 0.000 2.543 316 L HA 0.480 4.820 4.340 -0.001 0.000 0.265 316 L C -1.012 175.815 176.870 -0.071 0.000 0.945 316 L CA -0.128 54.681 54.840 -0.052 0.000 0.869 316 L CB 1.883 43.950 42.059 0.013 0.000 1.294 316 L HN -0.125 nan 8.230 nan 0.000 0.405 317 S N 3.398 119.058 115.700 -0.068 0.000 2.451 317 S HA 0.880 5.350 4.470 -0.001 0.000 0.301 317 S C -0.934 173.623 174.600 -0.072 0.000 1.116 317 S CA -0.557 57.601 58.200 -0.070 0.000 1.093 317 S CB 1.729 64.880 63.200 -0.082 0.000 1.017 317 S HN 0.425 nan 8.310 nan 0.000 0.482 318 V N 3.409 123.260 119.914 -0.104 0.000 2.577 318 V HA 0.341 4.461 4.120 -0.001 0.000 0.303 318 V C -0.513 175.506 176.094 -0.124 0.000 1.042 318 V CA -0.820 61.418 62.300 -0.103 0.000 0.872 318 V CB 1.952 33.675 31.823 -0.165 0.000 0.998 318 V HN 0.681 nan 8.190 nan 0.000 0.423 319 V N 4.348 124.217 119.914 -0.075 0.000 2.356 319 V HA 0.805 4.924 4.120 -0.001 0.000 0.258 319 V C 0.481 176.548 176.094 -0.046 0.000 1.065 319 V CA 0.296 62.554 62.300 -0.070 0.000 0.935 319 V CB 0.395 32.188 31.823 -0.050 0.000 1.061 319 V HN 1.088 nan 8.190 nan 0.000 0.484 320 A N 3.655 126.436 122.820 -0.066 0.000 2.608 320 A HA 0.606 4.926 4.320 -0.001 0.000 0.292 320 A C -1.058 176.495 177.584 -0.052 0.000 1.066 320 A CA -0.791 51.229 52.037 -0.029 0.000 0.676 320 A CB 1.326 20.359 19.000 0.055 0.000 1.277 320 A HN 0.683 nan 8.150 nan 0.000 0.413 321 D N 0.981 121.355 120.400 -0.044 0.000 2.389 321 D HA 0.502 5.141 4.640 -0.001 0.000 0.247 321 D C 1.249 177.555 176.300 0.010 0.000 1.128 321 D CA 0.738 54.713 54.000 -0.041 0.000 0.884 321 D CB 1.423 42.184 40.800 -0.065 0.000 1.194 321 D HN 0.742 nan 8.370 nan 0.000 0.441 322 A N 4.748 127.578 122.820 0.018 0.000 1.858 322 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 322 A C 1.990 179.621 177.584 0.078 0.000 1.190 322 A CA 1.737 53.805 52.037 0.052 0.000 0.617 322 A CB -0.641 18.380 19.000 0.034 0.000 0.827 322 A HN 0.751 nan 8.150 nan 0.000 0.443 323 K N -0.918 119.505 120.400 0.038 0.000 2.020 323 K HA -0.190 4.130 4.320 -0.001 0.000 0.212 323 K C 2.061 178.663 176.600 0.003 0.000 1.050 323 K CA 2.147 58.448 56.287 0.023 0.000 0.929 323 K CB -0.500 32.005 32.500 0.008 0.000 0.714 323 K HN 0.458 nan 8.250 nan 0.000 0.443 324 T N 0.799 115.330 114.554 -0.038 0.000 2.684 324 T HA -0.173 4.176 4.350 -0.001 0.000 0.267 324 T C 1.467 176.131 174.700 -0.060 0.000 1.036 324 T CA 1.581 63.601 62.100 -0.132 0.000 1.148 324 T CB -0.466 68.208 68.868 -0.324 0.000 0.863 324 T HN 0.302 nan 8.240 nan 0.000 0.436 325 F N 1.530 121.417 119.950 -0.104 0.000 2.095 325 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 325 F C 2.318 178.097 175.800 -0.035 0.000 1.104 325 F CA 1.444 59.411 58.000 -0.056 0.000 1.232 325 F CB -0.369 38.614 39.000 -0.028 0.000 0.987 325 F HN 0.074 nan 8.300 nan 0.000 0.475 326 M N -0.247 119.407 119.600 0.091 0.000 2.117 326 M HA -0.222 4.257 4.480 -0.001 0.000 0.262 326 M C 2.046 178.299 176.300 -0.078 0.000 1.065 326 M CA 1.929 57.234 55.300 0.008 0.000 1.114 326 M CB -0.646 31.989 32.600 0.059 0.000 1.361 326 M HN 0.164 nan 8.290 nan 0.000 0.408 327 E N 0.260 120.422 120.200 -0.063 0.000 2.085 327 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 327 E C 2.069 178.604 176.600 -0.109 0.000 0.994 327 E CA 1.305 57.664 56.400 -0.068 0.000 0.801 327 E CB -0.184 29.489 29.700 -0.045 0.000 0.743 327 E HN 0.583 nan 8.360 nan 0.000 0.453 328 Q N 0.347 120.049 119.800 -0.163 0.000 2.084 328 Q HA -0.160 4.180 4.340 -0.001 0.000 0.202 328 Q C 2.366 178.212 176.000 -0.257 0.000 0.978 328 Q CA 1.054 56.739 55.803 -0.197 0.000 0.844 328 Q CB -0.112 28.486 28.738 -0.235 0.000 0.898 328 Q HN 0.322 nan 8.270 nan 0.000 0.426 329 L N 0.195 121.208 121.223 -0.351 0.000 2.027 329 L HA -0.195 4.145 4.340 -0.001 0.000 0.206 329 L C 2.335 179.078 176.870 -0.211 0.000 1.074 329 L CA 0.923 55.577 54.840 -0.310 0.000 0.745 329 L CB -0.376 41.501 42.059 -0.302 0.000 0.898 329 L HN 0.249 nan 8.230 nan 0.000 0.433 330 I N -0.077 120.395 120.570 -0.162 0.000 2.185 330 I HA -0.354 3.815 4.170 -0.001 0.000 0.246 330 I C 2.434 178.464 176.117 -0.144 0.000 1.088 330 I CA 1.562 62.781 61.300 -0.136 0.000 1.347 330 I CB -0.320 37.634 38.000 -0.077 0.000 1.041 330 I HN 0.315 nan 8.210 nan 0.000 0.415 331 E N 0.073 120.200 120.200 -0.123 0.000 2.110 331 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 331 E C 2.227 178.754 176.600 -0.121 0.000 0.988 331 E CA 1.789 58.128 56.400 -0.100 0.000 0.804 331 E CB -0.082 29.573 29.700 -0.074 0.000 0.745 331 E HN 0.572 nan 8.360 nan 0.000 0.458 332 V N -1.296 118.527 119.914 -0.151 0.000 3.052 332 V HA -0.035 4.084 4.120 -0.001 0.000 0.254 332 V C 2.021 177.997 176.094 -0.196 0.000 1.100 332 V CA 0.714 62.927 62.300 -0.145 0.000 1.112 332 V CB -0.434 31.308 31.823 -0.134 0.000 0.738 332 V HN 0.137 nan 8.190 nan 0.000 0.469 333 L N 0.163 121.204 121.223 -0.303 0.000 2.042 333 L HA -0.042 4.297 4.340 -0.001 0.000 0.210 333 L C 0.241 176.750 176.870 -0.603 0.000 1.076 333 L CA 2.053 56.574 54.840 -0.532 0.000 0.749 333 L CB -1.623 39.955 42.059 -0.802 0.000 0.893 333 L HN 0.353 nan 8.230 nan 0.000 0.432 334 P HA -0.145 nan 4.420 nan 0.000 0.218 334 P C 1.228 178.543 177.300 0.025 0.000 1.148 334 P CA 1.601 64.661 63.100 -0.067 0.000 0.822 334 P CB -0.113 31.578 31.700 -0.014 0.000 0.784 335 G N -1.804 106.975 108.800 -0.035 0.000 3.088 335 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.212 335 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.212 335 G C 0.158 175.057 174.900 -0.001 0.000 1.173 335 G CA 0.132 45.229 45.100 -0.006 0.000 0.779 335 G HN 0.178 nan 8.290 nan 0.000 0.540 336 T N 0.953 115.504 114.554 -0.006 0.000 2.749 336 T HA 0.354 4.703 4.350 -0.001 0.000 0.295 336 T C 0.603 175.345 174.700 0.071 0.000 0.936 336 T CA -0.155 61.951 62.100 0.010 0.000 1.060 336 T CB 1.410 70.262 68.868 -0.028 0.000 0.904 336 T HN 0.145 nan 8.240 nan 0.000 0.500 337 S N 2.786 118.513 115.700 0.045 0.000 2.575 337 S HA 0.331 4.801 4.470 -0.001 0.000 0.295 337 S C 1.599 176.237 174.600 0.064 0.000 1.267 337 S CA 0.930 59.159 58.200 0.048 0.000 1.074 337 S CB -0.549 62.666 63.200 0.024 0.000 0.829 337 S HN 1.188 nan 8.310 nan 0.000 0.497 338 G N 4.009 112.850 108.800 0.068 0.000 2.234 338 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.235 338 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.235 338 G C 0.066 175.021 174.900 0.091 0.000 0.997 338 G CA 0.036 45.172 45.100 0.060 0.000 0.623 338 G HN 0.909 nan 8.290 nan 0.000 0.514 339 F N 2.602 122.550 119.950 -0.005 0.000 2.484 339 F HA 0.616 5.143 4.527 -0.001 0.000 0.360 339 F C 0.472 176.274 175.800 0.003 0.000 1.101 339 F CA 0.029 58.030 58.000 0.000 0.000 1.251 339 F CB 0.835 39.834 39.000 -0.001 0.000 1.132 339 F HN 0.108 nan 8.300 nan 0.000 0.570 340 K N 5.296 125.156 120.400 -0.899 0.000 2.463 340 K HA 0.669 4.988 4.320 -0.001 0.000 0.255 340 K C -1.327 174.656 176.600 -1.028 0.000 0.942 340 K CA -0.873 54.993 56.287 -0.701 0.000 0.814 340 K CB 1.420 33.717 32.500 -0.338 0.000 1.122 340 K HN 0.727 nan 8.250 nan 0.000 0.425 341 A N 4.615 127.032 122.820 -0.671 0.000 2.666 341 A HA 0.384 4.704 4.320 -0.001 0.000 0.312 341 A C -0.249 177.229 177.584 -0.177 0.000 1.471 341 A CA -0.446 51.379 52.037 -0.353 0.000 1.134 341 A CB -0.573 18.407 19.000 -0.033 0.000 1.129 341 A HN 0.504 nan 8.150 nan 0.000 0.539 342 V N -0.020 119.795 119.914 -0.166 0.000 3.102 342 V HA 0.648 4.768 4.120 -0.001 0.000 0.312 342 V C -0.051 176.002 176.094 -0.069 0.000 1.135 342 V CA -1.550 60.686 62.300 -0.106 0.000 1.022 342 V CB 1.373 33.126 31.823 -0.117 0.000 1.056 342 V HN 0.736 nan 8.190 nan 0.000 0.436 343 R N 0.987 121.427 120.500 -0.099 0.000 2.590 343 R HA 0.200 4.540 4.340 -0.001 0.000 0.274 343 R C 1.031 177.216 176.300 -0.193 0.000 1.061 343 R CA 0.532 56.538 56.100 -0.156 0.000 1.081 343 R CB 0.251 30.399 30.300 -0.253 0.000 0.984 343 R HN 0.984 nan 8.270 nan 0.000 0.448 344 Y N 1.162 121.387 120.300 -0.126 0.000 2.256 344 Y HA -0.234 4.315 4.550 -0.001 0.000 0.288 344 Y C 1.307 176.898 175.900 -0.516 0.000 1.155 344 Y CA 1.081 59.070 58.100 -0.185 0.000 1.203 344 Y CB -0.329 38.097 38.460 -0.057 0.000 0.980 344 Y HN 0.516 nan 8.280 nan 0.000 0.530 345 Q N 0.870 120.046 119.800 -1.040 0.000 2.364 345 Q HA -0.098 4.241 4.340 -0.001 0.000 0.209 345 Q C 1.458 177.158 176.000 -0.500 0.000 0.977 345 Q CA 1.717 56.794 55.803 -1.211 0.000 0.885 345 Q CB -0.182 28.044 28.738 -0.853 0.000 0.941 345 Q HN 0.718 nan 8.270 nan 0.000 0.464 346 E N -0.156 119.864 120.200 -0.301 0.000 2.474 346 E HA 0.052 4.401 4.350 -0.001 0.000 0.195 346 E C -0.124 176.450 176.600 -0.045 0.000 1.039 346 E CA -0.191 56.133 56.400 -0.126 0.000 0.881 346 E CB 0.467 30.095 29.700 -0.120 0.000 0.970 346 E HN 0.154 nan 8.360 nan 0.000 0.486 347 R N 1.052 121.542 120.500 -0.017 0.000 2.539 347 R HA 0.093 4.433 4.340 -0.001 0.000 0.275 347 R C 0.835 177.203 176.300 0.113 0.000 1.077 347 R CA 0.099 56.232 56.100 0.055 0.000 1.097 347 R CB 0.485 30.843 30.300 0.096 0.000 1.018 347 R HN 0.201 nan 8.270 nan 0.000 0.483 348 E N 1.435 121.684 120.200 0.082 0.000 2.153 348 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 348 E C 1.271 177.928 176.600 0.095 0.000 0.988 348 E CA 1.339 57.785 56.400 0.077 0.000 0.811 348 E CB 0.026 29.755 29.700 0.048 0.000 0.746 348 E HN 0.586 nan 8.360 nan 0.000 0.466 349 N N 0.632 119.403 118.700 0.117 0.000 2.515 349 N HA -0.137 4.603 4.740 -0.001 0.000 0.185 349 N C 1.461 177.063 175.510 0.153 0.000 1.109 349 N CA 0.420 53.537 53.050 0.112 0.000 0.903 349 N CB -0.243 38.312 38.487 0.113 0.000 0.969 349 N HN 0.141 nan 8.380 nan 0.000 0.450 350 F N 2.516 122.495 119.950 0.049 0.000 2.084 350 F HA 0.052 4.579 4.527 -0.001 0.000 0.296 350 F C 2.691 178.512 175.800 0.034 0.000 1.111 350 F CA 1.032 59.078 58.000 0.076 0.000 1.224 350 F CB -0.297 38.773 39.000 0.116 0.000 0.991 350 F HN -0.060 nan 8.300 nan 0.000 0.471 351 R N 0.387 120.882 120.500 -0.008 0.000 2.113 351 R HA -0.293 4.046 4.340 -0.001 0.000 0.244 351 R C 2.440 178.591 176.300 -0.248 0.000 1.142 351 R CA 2.272 58.282 56.100 -0.150 0.000 0.953 351 R CB -0.747 29.526 30.300 -0.046 0.000 0.860 351 R HN 0.547 nan 8.270 nan 0.000 0.438 352 Q N -0.353 119.302 119.800 -0.243 0.000 2.084 352 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 352 Q C 1.876 177.495 176.000 -0.635 0.000 0.978 352 Q CA 1.787 57.312 55.803 -0.464 0.000 0.844 352 Q CB -0.137 28.366 28.738 -0.391 0.000 0.898 352 Q HN 0.487 nan 8.270 nan 0.000 0.426 353 A N 0.608 123.234 122.820 -0.322 0.000 1.873 353 A HA -0.185 4.134 4.320 -0.001 0.000 0.215 353 A C 2.313 179.815 177.584 -0.135 0.000 1.186 353 A CA 2.107 54.066 52.037 -0.129 0.000 0.616 353 A CB -1.262 17.735 19.000 -0.006 0.000 0.823 353 A HN 0.694 nan 8.150 nan 0.000 0.442 354 T N -1.896 112.470 114.554 -0.314 0.000 2.833 354 T HA -0.186 4.164 4.350 -0.001 0.000 0.269 354 T C 1.702 176.329 174.700 -0.122 0.000 1.054 354 T CA 1.678 63.620 62.100 -0.264 0.000 1.135 354 T CB -0.339 68.230 68.868 -0.500 0.000 0.869 354 T HN 0.618 nan 8.240 nan 0.000 0.466 355 E N -0.017 120.076 120.200 -0.179 0.000 2.051 355 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 355 E C 1.753 178.386 176.600 0.054 0.000 0.991 355 E CA 1.136 57.472 56.400 -0.107 0.000 0.799 355 E CB -0.276 29.301 29.700 -0.204 0.000 0.748 355 E HN 0.523 nan 8.360 nan 0.000 0.449 356 F N 0.843 120.804 119.950 0.018 0.000 2.095 356 F HA -0.120 4.407 4.527 -0.001 0.000 0.298 356 F C 2.572 178.441 175.800 0.114 0.000 1.104 356 F CA 1.344 59.373 58.000 0.050 0.000 1.232 356 F CB -1.000 38.014 39.000 0.022 0.000 0.987 356 F HN 0.041 nan 8.300 nan 0.000 0.475 357 R N 0.850 121.534 120.500 0.307 0.000 2.081 357 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 357 R C 2.166 178.625 176.300 0.264 0.000 1.131 357 R CA 1.538 57.822 56.100 0.307 0.000 0.960 357 R CB -1.018 29.439 30.300 0.261 0.000 0.856 357 R HN 0.182 nan 8.270 nan 0.000 0.436 358 A N 0.127 123.045 122.820 0.164 0.000 1.933 358 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 358 A C 2.357 180.014 177.584 0.122 0.000 1.175 358 A CA 1.738 53.841 52.037 0.110 0.000 0.628 358 A CB -1.003 18.031 19.000 0.056 0.000 0.814 358 A HN 0.480 nan 8.150 nan 0.000 0.444 359 A N -1.108 121.813 122.820 0.167 0.000 1.898 359 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 359 A C 2.128 179.846 177.584 0.222 0.000 1.181 359 A CA 1.314 53.453 52.037 0.171 0.000 0.620 359 A CB -0.959 18.155 19.000 0.189 0.000 0.819 359 A HN 0.871 nan 8.150 nan 0.000 0.442 360 W N 1.189 122.532 121.300 0.072 0.000 2.333 360 W HA -0.215 4.445 4.660 -0.000 0.000 0.316 360 W C 1.068 177.615 176.519 0.047 0.000 1.215 360 W CA 1.996 59.372 57.345 0.051 0.000 1.278 360 W CB -0.297 29.191 29.460 0.045 0.000 1.154 360 W HN 0.395 nan 8.180 nan 0.000 0.486 361 D N 0.070 120.436 120.400 -0.056 0.000 2.149 361 D HA -0.131 4.509 4.640 -0.001 0.000 0.198 361 D C 2.363 178.524 176.300 -0.232 0.000 0.990 361 D CA 1.989 55.851 54.000 -0.230 0.000 0.839 361 D CB -1.108 39.663 40.800 -0.049 0.000 0.948 361 D HN 0.321 nan 8.370 nan 0.000 0.460 362 G N -0.271 108.468 108.800 -0.102 0.000 2.418 362 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 362 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 362 G C 1.553 176.364 174.900 -0.149 0.000 1.158 362 G CA 0.617 45.658 45.100 -0.098 0.000 0.771 362 G HN 0.324 nan 8.290 nan 0.000 0.545 363 W N 0.982 122.090 121.300 -0.320 0.000 2.358 363 W HA -0.101 4.559 4.660 -0.000 0.000 0.303 363 W C 2.487 178.634 176.519 -0.619 0.000 1.208 363 W CA 1.783 58.891 57.345 -0.396 0.000 1.274 363 W CB -0.275 28.986 29.460 -0.330 0.000 1.138 363 W HN 0.036 nan 8.180 nan 0.000 0.515 364 V N 1.803 121.279 119.914 -0.729 0.000 2.343 364 V HA -0.328 3.792 4.120 -0.001 0.000 0.247 364 V C 2.644 178.293 176.094 -0.742 0.000 1.051 364 V CA 2.067 63.755 62.300 -1.020 0.000 1.036 364 V CB -0.913 30.325 31.823 -0.976 0.000 0.654 364 V HN 0.112 nan 8.190 nan 0.000 0.451 365 R N 0.109 120.313 120.500 -0.493 0.000 2.091 365 R HA -0.209 4.131 4.340 -0.001 0.000 0.238 365 R C 2.191 178.267 176.300 -0.373 0.000 1.136 365 R CA 1.770 57.662 56.100 -0.346 0.000 0.959 365 R CB -0.784 29.376 30.300 -0.233 0.000 0.856 365 R HN 0.684 nan 8.270 nan 0.000 0.437 366 E N 0.597 120.531 120.200 -0.444 0.000 2.085 366 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 366 E C 1.678 177.963 176.600 -0.526 0.000 0.994 366 E CA 1.129 57.265 56.400 -0.439 0.000 0.801 366 E CB 0.197 29.616 29.700 -0.468 0.000 0.743 366 E HN 0.195 nan 8.360 nan 0.000 0.453 367 Q N 0.213 119.526 119.800 -0.811 0.000 2.291 367 Q HA -0.135 4.204 4.340 -0.001 0.000 0.205 367 Q C 1.463 177.235 176.000 -0.379 0.000 0.970 367 Q CA 1.070 56.432 55.803 -0.736 0.000 0.876 367 Q CB -0.017 27.942 28.738 -1.300 0.000 0.935 367 Q HN 0.486 nan 8.270 nan 0.000 0.455 368 E N 0.868 120.870 120.200 -0.330 0.000 2.435 368 E HA -0.007 4.342 4.350 -0.001 0.000 0.195 368 E C 0.483 176.996 176.600 -0.145 0.000 1.029 368 E CA 0.175 56.472 56.400 -0.171 0.000 0.865 368 E CB 0.274 29.883 29.700 -0.153 0.000 0.833 368 E HN 0.219 nan 8.360 nan 0.000 0.510 369 S N 0.061 115.654 115.700 -0.178 0.000 2.652 369 S HA 0.633 5.103 4.470 -0.001 0.000 0.270 369 S C 0.526 175.058 174.600 -0.113 0.000 1.243 369 S CA -0.120 57.998 58.200 -0.137 0.000 0.999 369 S CB 1.577 64.687 63.200 -0.149 0.000 0.973 369 S HN 0.250 nan 8.310 nan 0.000 0.544 370 G N 0.554 109.303 108.800 -0.086 0.000 2.629 370 G HA2 0.143 4.103 3.960 -0.001 0.000 0.686 370 G HA3 0.143 4.103 3.960 -0.001 0.000 0.686 370 G C -1.468 173.400 174.900 -0.054 0.000 1.232 370 G CA -0.465 44.594 45.100 -0.068 0.000 0.803 370 G HN 0.783 nan 8.290 nan 0.000 0.638 371 D N 0.510 120.885 120.400 -0.042 0.000 2.772 371 D HA 0.493 5.132 4.640 -0.001 0.000 0.326 371 D C 0.893 177.177 176.300 -0.027 0.000 1.207 371 D CA 0.683 54.664 54.000 -0.032 0.000 0.777 371 D CB 0.425 41.209 40.800 -0.027 0.000 1.169 371 D HN 0.795 nan 8.370 nan 0.000 0.506 372 G N 0.234 109.016 108.800 -0.030 0.000 2.528 372 G HA2 0.510 4.469 3.960 -0.001 0.000 0.289 372 G HA3 0.510 4.469 3.960 -0.001 0.000 0.289 372 G C -0.016 174.871 174.900 -0.021 0.000 1.192 372 G CA -0.403 44.681 45.100 -0.026 0.000 0.921 372 G HN 0.033 nan 8.290 nan 0.000 0.512 373 M N 1.764 121.353 119.600 -0.019 0.000 2.268 373 M HA 0.353 4.833 4.480 -0.001 0.000 0.344 373 M C -1.888 174.397 176.300 -0.025 0.000 1.106 373 M CA -2.678 52.611 55.300 -0.018 0.000 1.010 373 M CB 1.051 33.642 32.600 -0.014 0.000 1.649 373 M HN 0.380 nan 8.290 nan 0.000 0.443 374 P HA 0.493 nan 4.420 nan 0.000 0.274 374 P C -1.048 176.234 177.300 -0.030 0.000 1.237 374 P CA -0.563 62.519 63.100 -0.030 0.000 0.793 374 P CB 0.464 32.138 31.700 -0.043 0.000 0.977 375 A N 1.103 123.910 122.820 -0.021 0.000 2.304 375 A HA 0.391 4.711 4.320 -0.001 0.000 0.271 375 A C 0.507 178.060 177.584 -0.052 0.000 1.091 375 A CA -0.360 51.662 52.037 -0.024 0.000 0.812 375 A CB -0.003 18.999 19.000 0.004 0.000 1.056 375 A HN 0.556 nan 8.150 nan 0.000 0.489 376 S N 1.104 116.770 115.700 -0.057 0.000 2.523 376 S HA 0.278 4.748 4.470 -0.001 0.000 0.275 376 S C 1.149 175.682 174.600 -0.112 0.000 1.281 376 S CA -0.438 57.718 58.200 -0.072 0.000 1.050 376 S CB -0.025 63.145 63.200 -0.050 0.000 0.937 376 S HN 0.560 nan 8.310 nan 0.000 0.492 377 M N 4.127 123.585 119.600 -0.237 0.000 2.296 377 M HA -0.001 4.479 4.480 -0.001 0.000 0.265 377 M C 1.019 177.137 176.300 -0.303 0.000 1.064 377 M CA 1.386 56.426 55.300 -0.434 0.000 1.109 377 M CB -0.323 31.810 32.600 -0.779 0.000 1.396 377 M HN 0.770 nan 8.290 nan 0.000 0.430 378 F N 0.112 119.951 119.950 -0.184 0.000 2.171 378 F HA -0.208 4.318 4.527 -0.001 0.000 0.300 378 F C 2.645 178.362 175.800 -0.140 0.000 1.090 378 F CA 1.334 59.236 58.000 -0.165 0.000 1.293 378 F CB -0.347 38.506 39.000 -0.245 0.000 1.013 378 F HN 0.064 nan 8.300 nan 0.000 0.486 379 R N 0.977 121.498 120.500 0.035 0.000 2.081 379 R HA -0.117 4.223 4.340 -0.001 0.000 0.235 379 R C 2.186 178.488 176.300 0.003 0.000 1.131 379 R CA 1.534 57.631 56.100 -0.005 0.000 0.960 379 R CB -0.874 29.412 30.300 -0.024 0.000 0.856 379 R HN 0.182 nan 8.270 nan 0.000 0.436 380 A N 0.409 123.236 122.820 0.013 0.000 1.883 380 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 380 A C 2.128 179.732 177.584 0.033 0.000 1.186 380 A CA 1.814 53.890 52.037 0.065 0.000 0.624 380 A CB -0.478 18.641 19.000 0.199 0.000 0.822 380 A HN 0.328 nan 8.150 nan 0.000 0.444 381 M N -0.525 119.080 119.600 0.008 0.000 2.159 381 M HA -0.089 4.391 4.480 -0.001 0.000 0.263 381 M C 2.499 178.784 176.300 -0.026 0.000 1.063 381 M CA 1.449 56.742 55.300 -0.012 0.000 1.110 381 M CB -1.507 31.084 32.600 -0.016 0.000 1.374 381 M HN 0.503 nan 8.290 nan 0.000 0.411 382 A N 0.069 122.882 122.820 -0.011 0.000 1.940 382 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 382 A C 2.067 179.627 177.584 -0.039 0.000 1.176 382 A CA 1.447 53.468 52.037 -0.025 0.000 0.631 382 A CB -0.448 18.535 19.000 -0.029 0.000 0.814 382 A HN 0.436 nan 8.150 nan 0.000 0.446 383 E N -0.176 120.004 120.200 -0.034 0.000 2.107 383 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 383 E C 2.213 178.766 176.600 -0.079 0.000 0.982 383 E CA 1.146 57.524 56.400 -0.037 0.000 0.809 383 E CB -0.648 29.046 29.700 -0.010 0.000 0.756 383 E HN 0.393 nan 8.360 nan 0.000 0.459 384 V N 1.764 121.598 119.914 -0.134 0.000 2.332 384 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 384 V C 2.402 178.310 176.094 -0.310 0.000 1.055 384 V CA 1.803 63.901 62.300 -0.336 0.000 1.038 384 V CB -0.489 31.070 31.823 -0.441 0.000 0.651 384 V HN 0.211 nan 8.190 nan 0.000 0.450 385 R N -0.031 120.367 120.500 -0.170 0.000 2.159 385 R HA -0.167 4.173 4.340 -0.001 0.000 0.237 385 R C 2.264 178.523 176.300 -0.067 0.000 1.131 385 R CA 1.228 57.266 56.100 -0.102 0.000 0.982 385 R CB -0.301 29.974 30.300 -0.043 0.000 0.868 385 R HN 0.535 nan 8.270 nan 0.000 0.453 386 K N 0.410 120.775 120.400 -0.058 0.000 2.288 386 K HA -0.040 4.279 4.320 -0.001 0.000 0.201 386 K C 1.452 178.047 176.600 -0.009 0.000 1.048 386 K CA 1.087 57.359 56.287 -0.025 0.000 0.956 386 K CB 0.368 32.856 32.500 -0.019 0.000 0.746 386 K HN 0.156 nan 8.250 nan 0.000 0.461 387 V N -1.675 118.227 119.914 -0.020 0.000 3.085 387 V HA 0.202 4.322 4.120 -0.001 0.000 0.345 387 V C -0.159 175.998 176.094 0.105 0.000 1.397 387 V CA -0.658 61.673 62.300 0.051 0.000 1.165 387 V CB -0.020 31.866 31.823 0.106 0.000 1.153 387 V HN 0.046 nan 8.190 nan 0.000 0.495 388 Q N 1.726 121.540 119.800 0.024 0.000 2.322 388 Q HA 0.566 4.906 4.340 -0.001 0.000 0.265 388 Q C -0.447 175.606 176.000 0.089 0.000 0.985 388 Q CA -0.647 55.197 55.803 0.068 0.000 0.849 388 Q CB 1.798 30.489 28.738 -0.079 0.000 1.274 388 Q HN 0.644 nan 8.270 nan 0.000 0.449 389 R N 3.391 123.968 120.500 0.128 0.000 2.596 389 R HA 0.284 4.624 4.340 -0.001 0.000 0.267 389 R C -1.778 174.571 176.300 0.081 0.000 1.026 389 R CA -1.869 54.284 56.100 0.088 0.000 1.087 389 R CB 0.319 30.668 30.300 0.081 0.000 1.132 389 R HN 0.475 nan 8.270 nan 0.000 0.531 390 P HA -0.217 nan 4.420 nan 0.000 0.218 390 P C 0.688 178.021 177.300 0.055 0.000 1.148 390 P CA 1.264 64.396 63.100 0.053 0.000 0.822 390 P CB 0.168 31.891 31.700 0.038 0.000 0.784 391 E N -0.878 119.353 120.200 0.053 0.000 2.435 391 E HA -0.033 4.316 4.350 -0.001 0.000 0.195 391 E C -0.100 176.537 176.600 0.061 0.000 1.029 391 E CA 0.470 56.897 56.400 0.045 0.000 0.865 391 E CB -0.612 29.105 29.700 0.028 0.000 0.833 391 E HN 0.209 nan 8.360 nan 0.000 0.510 392 D N 1.427 121.886 120.400 0.098 0.000 2.362 392 D HA 0.299 4.938 4.640 -0.001 0.000 0.242 392 D C 0.093 176.487 176.300 0.155 0.000 1.132 392 D CA -0.039 54.047 54.000 0.143 0.000 0.907 392 D CB 1.207 42.164 40.800 0.261 0.000 1.195 392 D HN 0.096 nan 8.370 nan 0.000 0.429 393 I N 1.739 122.407 120.570 0.163 0.000 2.441 393 I HA 0.233 4.402 4.170 -0.001 0.000 0.295 393 I C -0.319 175.924 176.117 0.209 0.000 0.994 393 I CA -0.838 60.549 61.300 0.144 0.000 1.144 393 I CB 1.651 39.702 38.000 0.084 0.000 1.314 393 I HN 0.008 nan 8.210 nan 0.000 0.445 394 I N 6.795 127.477 120.570 0.186 0.000 2.354 394 I HA 0.432 4.601 4.170 -0.001 0.000 0.292 394 I C -0.069 176.141 176.117 0.156 0.000 0.989 394 I CA -0.642 60.775 61.300 0.196 0.000 1.188 394 I CB 1.508 39.612 38.000 0.173 0.000 1.342 394 I HN 0.143 nan 8.210 nan 0.000 0.457 395 V N 4.818 124.821 119.914 0.148 0.000 2.769 395 V HA 0.690 4.809 4.120 -0.001 0.000 0.312 395 V C 0.070 176.241 176.094 0.128 0.000 1.061 395 V CA -0.512 61.852 62.300 0.107 0.000 0.931 395 V CB 2.241 34.098 31.823 0.057 0.000 1.010 395 V HN 0.865 nan 8.190 nan 0.000 0.433 396 T N 1.050 115.675 114.554 0.119 0.000 2.883 396 T HA 0.407 4.756 4.350 -0.001 0.000 0.296 396 T C -0.982 173.771 174.700 0.088 0.000 1.117 396 T CA -0.410 61.772 62.100 0.136 0.000 1.006 396 T CB 2.064 70.998 68.868 0.111 0.000 1.191 396 T HN 0.838 nan 8.240 nan 0.000 0.508 397 D N 0.555 121.080 120.400 0.208 0.000 2.560 397 D HA 0.423 5.063 4.640 -0.001 0.000 0.277 397 D C -0.371 175.938 176.300 0.015 0.000 1.194 397 D CA -0.412 53.693 54.000 0.174 0.000 1.092 397 D CB 0.919 41.847 40.800 0.215 0.000 1.169 397 D HN 0.359 nan 8.370 nan 0.000 0.607 398 I N 0.282 120.853 120.570 0.000 0.000 2.354 398 I HA 0.577 4.747 4.170 -0.001 0.000 0.292 398 I C 0.947 177.010 176.117 -0.090 0.000 0.989 398 I CA -0.208 61.025 61.300 -0.112 0.000 1.188 398 I CB 0.305 38.312 38.000 0.010 0.000 1.342 398 I HN 0.577 nan 8.210 nan 0.000 0.457 399 G N 5.224 113.861 108.800 -0.272 0.000 2.345 399 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.285 399 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.285 399 G C 0.247 175.050 174.900 -0.162 0.000 1.297 399 G CA -0.565 44.492 45.100 -0.070 0.000 0.875 399 G HN 0.328 nan 8.290 nan 0.000 0.506 400 N N 0.379 119.094 118.700 0.024 0.000 2.091 400 N HA -0.165 4.574 4.740 -0.001 0.000 0.193 400 N C 2.031 177.481 175.510 -0.101 0.000 1.021 400 N CA 2.020 55.066 53.050 -0.007 0.000 0.862 400 N CB -0.545 37.982 38.487 0.067 0.000 1.018 400 N HN 0.754 nan 8.380 nan 0.000 0.429 401 H N -0.872 118.157 119.070 -0.068 0.000 2.489 401 H HA 0.033 4.588 4.556 -0.001 0.000 0.293 401 H C 1.152 176.377 175.328 -0.171 0.000 1.066 401 H CA 1.400 57.370 56.048 -0.130 0.000 1.305 401 H CB -0.908 28.876 29.762 0.037 0.000 1.386 401 H HN 0.065 nan 8.280 nan 0.000 0.551 402 T N 2.150 116.318 114.554 -0.644 0.000 2.720 402 T HA -0.125 4.224 4.350 -0.001 0.000 0.268 402 T C 2.262 176.596 174.700 -0.611 0.000 1.037 402 T CA 1.208 62.896 62.100 -0.687 0.000 1.144 402 T CB -0.372 68.027 68.868 -0.782 0.000 0.864 402 T HN 0.288 nan 8.240 nan 0.000 0.444 403 L N 1.457 122.438 121.223 -0.402 0.000 1.976 403 L HA -0.051 4.289 4.340 -0.001 0.000 0.209 403 L C -0.801 175.995 176.870 -0.123 0.000 1.071 403 L CA 1.640 56.361 54.840 -0.198 0.000 0.746 403 L CB -0.948 41.066 42.059 -0.076 0.000 0.890 403 L HN 0.172 nan 8.230 nan 0.000 0.432 404 P HA -0.147 nan 4.420 nan 0.000 0.220 404 P C 1.722 178.742 177.300 -0.468 0.000 1.148 404 P CA 1.279 63.831 63.100 -0.914 0.000 0.803 404 P CB -0.049 31.030 31.700 -1.036 0.000 0.782 405 M N -1.935 117.556 119.600 -0.182 0.000 2.099 405 M HA -0.062 4.417 4.480 -0.001 0.000 0.262 405 M C 2.158 178.618 176.300 0.267 0.000 1.067 405 M CA 1.679 57.007 55.300 0.047 0.000 1.124 405 M CB -1.709 30.951 32.600 0.099 0.000 1.353 405 M HN 0.016 nan 8.290 nan 0.000 0.410 406 F N -0.293 119.694 119.950 0.062 0.000 2.186 406 F HA -0.116 4.410 4.527 -0.001 0.000 0.299 406 F C 2.401 178.451 175.800 0.417 0.000 1.090 406 F CA 0.666 58.775 58.000 0.182 0.000 1.307 406 F CB -0.561 38.505 39.000 0.110 0.000 1.019 406 F HN 0.274 nan 8.300 nan 0.000 0.489 407 G N -0.515 108.619 108.800 0.557 0.000 2.511 407 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.217 407 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.217 407 G C 1.695 176.844 174.900 0.415 0.000 1.133 407 G CA 0.744 46.226 45.100 0.635 0.000 0.792 407 G HN 0.447 nan 8.290 nan 0.000 0.539 408 G N -0.155 108.800 108.800 0.259 0.000 2.986 408 G HA2 0.414 4.373 3.960 -0.001 0.000 0.213 408 G HA3 0.414 4.373 3.960 -0.001 0.000 0.213 408 G C 0.687 175.695 174.900 0.180 0.000 1.156 408 G CA 0.633 45.835 45.100 0.169 0.000 0.763 408 G HN 0.591 nan 8.290 nan 0.000 0.547 409 A N 0.863 123.851 122.820 0.280 0.000 2.347 409 A HA 0.646 4.966 4.320 -0.001 0.000 0.287 409 A C -0.359 177.460 177.584 0.391 0.000 1.199 409 A CA -0.186 52.015 52.037 0.273 0.000 0.851 409 A CB -0.100 19.055 19.000 0.259 0.000 1.118 409 A HN 0.249 nan 8.150 nan 0.000 0.525 410 I N 4.405 125.149 120.570 0.291 0.000 2.390 410 I HA 0.303 4.472 4.170 -0.001 0.000 0.283 410 I C -0.648 175.594 176.117 0.209 0.000 1.016 410 I CA -0.048 61.457 61.300 0.342 0.000 1.151 410 I CB 1.023 39.188 38.000 0.276 0.000 1.293 410 I HN 0.497 nan 8.210 nan 0.000 0.458 411 L N 5.711 127.044 121.223 0.182 0.000 2.330 411 L HA 0.501 4.840 4.340 -0.001 0.000 0.271 411 L C 0.587 177.500 176.870 0.072 0.000 1.013 411 L CA -0.548 54.356 54.840 0.107 0.000 0.816 411 L CB 1.898 44.007 42.059 0.083 0.000 1.287 411 L HN 0.523 nan 8.230 nan 0.000 0.435 412 Q N 0.725 120.555 119.800 0.050 0.000 2.157 412 Q HA 0.314 4.653 4.340 -0.001 0.000 0.235 412 Q C -0.319 175.689 176.000 0.013 0.000 0.803 412 Q CA -0.002 55.815 55.803 0.022 0.000 0.967 412 Q CB 1.916 30.669 28.738 0.025 0.000 1.150 412 Q HN 0.481 nan 8.270 nan 0.000 0.482 413 R N 0.734 121.249 120.500 0.025 0.000 2.808 413 R HA 0.561 4.900 4.340 -0.001 0.000 0.272 413 R C -2.739 173.574 176.300 0.022 0.000 0.995 413 R CA -2.137 53.975 56.100 0.020 0.000 0.917 413 R CB 0.876 31.190 30.300 0.023 0.000 1.217 413 R HN -0.133 nan 8.270 nan 0.000 0.471 414 P HA 0.241 nan 4.420 nan 0.000 0.274 414 P C -0.469 176.838 177.300 0.011 0.000 1.237 414 P CA -0.334 62.770 63.100 0.008 0.000 0.793 414 P CB 0.530 32.225 31.700 -0.008 0.000 0.977 415 R N 0.421 120.936 120.500 0.025 0.000 3.525 415 R HA -0.170 4.170 4.340 -0.001 0.000 0.276 415 R C 0.355 176.736 176.300 0.135 0.000 1.116 415 R CA 0.460 56.596 56.100 0.060 0.000 0.745 415 R CB -2.065 28.165 30.300 -0.117 0.000 1.185 415 R HN 0.564 nan 8.270 nan 0.000 0.454 416 R N -0.232 120.338 120.500 0.118 0.000 2.362 416 R HA 0.206 4.546 4.340 -0.001 0.000 0.227 416 R C 0.540 176.915 176.300 0.125 0.000 0.905 416 R CA -0.206 55.961 56.100 0.112 0.000 1.067 416 R CB 0.277 30.630 30.300 0.090 0.000 1.078 416 R HN 0.076 nan 8.270 nan 0.000 0.516 417 L N 0.811 122.112 121.223 0.130 0.000 2.343 417 L HA 0.436 4.775 4.340 -0.001 0.000 0.278 417 L C -1.134 175.758 176.870 0.037 0.000 0.996 417 L CA -0.808 54.079 54.840 0.078 0.000 0.831 417 L CB 2.100 44.153 42.059 -0.010 0.000 1.232 417 L HN -0.275 nan 8.230 nan 0.000 0.413 418 V N 4.365 124.291 119.914 0.020 0.000 2.588 418 V HA 0.867 4.986 4.120 -0.001 0.000 0.304 418 V C -0.109 175.949 176.094 -0.061 0.000 1.042 418 V CA -0.243 61.993 62.300 -0.108 0.000 0.877 418 V CB 1.763 33.577 31.823 -0.016 0.000 0.996 418 V HN 0.889 nan 8.190 nan 0.000 0.425 419 T N 1.651 116.126 114.554 -0.132 0.000 2.658 419 T HA 0.236 4.585 4.350 -0.001 0.000 0.305 419 T C -0.594 174.055 174.700 -0.086 0.000 1.551 419 T CA -0.016 62.039 62.100 -0.074 0.000 0.985 419 T CB 1.799 70.688 68.868 0.035 0.000 1.731 419 T HN 0.653 nan 8.240 nan 0.000 0.486 420 S N 2.337 117.994 115.700 -0.072 0.000 4.120 420 S HA 0.162 4.631 4.470 -0.001 0.000 0.215 420 S C 1.787 176.436 174.600 0.082 0.000 1.347 420 S CA -0.499 57.725 58.200 0.040 0.000 0.889 420 S CB -0.877 62.332 63.200 0.016 0.000 1.585 420 S HN 0.501 nan 8.310 nan 0.000 0.447 421 M N 2.038 121.676 119.600 0.063 0.000 2.086 421 M HA -0.092 4.387 4.480 -0.001 0.000 0.261 421 M C 2.381 178.754 176.300 0.122 0.000 1.067 421 M CA 1.754 57.114 55.300 0.099 0.000 1.116 421 M CB -1.549 31.073 32.600 0.037 0.000 1.348 421 M HN 0.725 nan 8.290 nan 0.000 0.407 422 A N -0.770 122.102 122.820 0.086 0.000 2.016 422 A HA -0.053 4.267 4.320 -0.001 0.000 0.217 422 A C 1.887 179.458 177.584 -0.023 0.000 1.162 422 A CA 1.087 53.154 52.037 0.049 0.000 0.662 422 A CB -0.062 18.969 19.000 0.051 0.000 0.812 422 A HN 0.456 nan 8.150 nan 0.000 0.450 423 E N -1.850 118.353 120.200 0.004 0.000 2.508 423 E HA 0.185 4.534 4.350 -0.001 0.000 0.217 423 E C 0.896 177.467 176.600 -0.048 0.000 0.896 423 E CA 0.582 56.947 56.400 -0.058 0.000 1.118 423 E CB 0.204 29.915 29.700 0.018 0.000 1.133 423 E HN 0.662 nan 8.360 nan 0.000 0.526 424 G N 2.919 111.755 108.800 0.061 0.000 2.323 424 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.292 424 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.292 424 G C 0.212 175.165 174.900 0.089 0.000 1.040 424 G CA 0.302 45.477 45.100 0.126 0.000 0.942 424 G HN 0.229 nan 8.290 nan 0.000 0.506 425 I N 0.263 120.889 120.570 0.094 0.000 2.363 425 I HA 0.217 4.386 4.170 -0.001 0.000 0.292 425 I C 0.983 177.060 176.117 -0.066 0.000 1.075 425 I CA -0.987 60.375 61.300 0.104 0.000 1.333 425 I CB 0.827 39.034 38.000 0.345 0.000 1.415 425 I HN 0.162 nan 8.210 nan 0.000 0.502 426 L N 7.013 128.155 121.223 -0.134 0.000 2.514 426 L HA 0.278 4.618 4.340 -0.001 0.000 0.280 426 L C 1.161 177.595 176.870 -0.725 0.000 1.223 426 L CA 1.383 56.030 54.840 -0.322 0.000 0.864 426 L CB 0.409 42.307 42.059 -0.269 0.000 1.118 426 L HN 0.893 nan 8.230 nan 0.000 0.494 427 G N 1.973 110.445 108.800 -0.546 0.000 2.213 427 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.236 427 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.236 427 G C 1.197 175.936 174.900 -0.268 0.000 0.991 427 G CA 0.732 45.614 45.100 -0.363 0.000 0.629 427 G HN 1.273 nan 8.290 nan 0.000 0.517 428 C N 0.729 119.599 119.300 -0.717 0.000 2.396 428 C HA 0.239 4.699 4.460 -0.001 0.000 0.277 428 C C 3.026 177.639 174.990 -0.628 0.000 1.231 428 C CA 1.477 59.687 59.018 -1.346 0.000 1.775 428 C CB -1.530 25.303 27.740 -1.511 0.000 2.036 428 C HN 1.235 nan 8.230 nan 0.000 0.484 429 G N -0.251 108.377 108.800 -0.287 0.000 2.433 429 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.216 429 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.216 429 G C 1.332 176.206 174.900 -0.043 0.000 1.186 429 G CA 0.968 45.994 45.100 -0.123 0.000 0.779 429 G HN 0.516 nan 8.290 nan 0.000 0.543 430 F N 3.051 122.921 119.950 -0.133 0.000 2.069 430 F HA -0.049 4.478 4.527 -0.001 0.000 0.298 430 F C 0.324 176.056 175.800 -0.112 0.000 1.113 430 F CA 1.667 59.590 58.000 -0.129 0.000 1.214 430 F CB -0.763 38.162 39.000 -0.125 0.000 0.978 430 F HN 0.152 nan 8.300 nan 0.000 0.474 431 P HA -0.155 nan 4.420 nan 0.000 0.220 431 P C 1.995 179.231 177.300 -0.108 0.000 1.152 431 P CA 1.751 64.740 63.100 -0.185 0.000 0.812 431 P CB -0.290 31.384 31.700 -0.044 0.000 0.792 432 M N -0.288 119.265 119.600 -0.078 0.000 2.159 432 M HA -0.112 4.367 4.480 -0.001 0.000 0.263 432 M C 2.310 178.583 176.300 -0.045 0.000 1.063 432 M CA 2.040 57.340 55.300 0.000 0.000 1.110 432 M CB -0.847 31.739 32.600 -0.022 0.000 1.374 432 M HN -0.075 nan 8.290 nan 0.000 0.411 433 A N 0.436 123.185 122.820 -0.118 0.000 1.933 433 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 433 A C 2.073 179.552 177.584 -0.175 0.000 1.175 433 A CA 1.263 53.224 52.037 -0.126 0.000 0.628 433 A CB -0.804 18.117 19.000 -0.132 0.000 0.814 433 A HN 0.457 nan 8.150 nan 0.000 0.444 434 L N -0.886 120.168 121.223 -0.282 0.000 2.056 434 L HA -0.089 4.251 4.340 -0.001 0.000 0.207 434 L C 2.837 179.647 176.870 -0.100 0.000 1.078 434 L CA 1.025 55.714 54.840 -0.251 0.000 0.749 434 L CB -0.860 40.977 42.059 -0.370 0.000 0.901 434 L HN 0.487 nan 8.230 nan 0.000 0.433 435 G N -0.224 108.560 108.800 -0.026 0.000 2.418 435 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 435 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 435 G C 1.787 176.719 174.900 0.053 0.000 1.158 435 G CA 0.813 45.973 45.100 0.099 0.000 0.771 435 G HN 0.453 nan 8.290 nan 0.000 0.545 436 A N 0.218 123.036 122.820 -0.003 0.000 1.933 436 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 436 A C 2.312 179.832 177.584 -0.107 0.000 1.175 436 A CA 2.282 54.287 52.037 -0.054 0.000 0.628 436 A CB -0.448 18.549 19.000 -0.005 0.000 0.814 436 A HN 0.426 nan 8.150 nan 0.000 0.444 437 Q N -0.150 119.598 119.800 -0.087 0.000 2.119 437 Q HA -0.037 4.303 4.340 -0.001 0.000 0.201 437 Q C 1.801 177.751 176.000 -0.083 0.000 0.972 437 Q CA 1.533 57.283 55.803 -0.089 0.000 0.847 437 Q CB -0.490 28.194 28.738 -0.090 0.000 0.903 437 Q HN 0.654 nan 8.270 nan 0.000 0.433 438 L N -0.381 120.810 121.223 -0.054 0.000 2.083 438 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 438 L C 2.347 179.155 176.870 -0.103 0.000 1.083 438 L CA 1.062 55.910 54.840 0.012 0.000 0.752 438 L CB -0.630 41.531 42.059 0.170 0.000 0.899 438 L HN 0.308 nan 8.230 nan 0.000 0.433 439 A N -0.576 121.952 122.820 -0.487 0.000 1.930 439 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 439 A C 1.093 178.454 177.584 -0.372 0.000 1.175 439 A CA 1.150 52.636 52.037 -0.918 0.000 0.627 439 A CB -0.136 18.193 19.000 -1.120 0.000 0.815 439 A HN 0.438 nan 8.150 nan 0.000 0.443 440 E N -0.688 119.377 120.200 -0.225 0.000 3.037 440 E HA 0.187 4.536 4.350 -0.001 0.000 0.220 440 E C -2.234 174.316 176.600 -0.083 0.000 1.142 440 E CA -1.808 54.516 56.400 -0.126 0.000 0.888 440 E CB 1.129 30.767 29.700 -0.104 0.000 1.329 440 E HN 0.251 nan 8.360 nan 0.000 0.409 441 P HA -0.138 nan 4.420 nan 0.000 0.219 441 P C 0.566 177.845 177.300 -0.035 0.000 1.146 441 P CA 1.054 64.131 63.100 -0.039 0.000 0.808 441 P CB 0.302 31.991 31.700 -0.018 0.000 0.779 442 N N -1.571 117.109 118.700 -0.033 0.000 2.230 442 N HA 0.076 4.816 4.740 -0.001 0.000 0.202 442 N C 0.058 175.552 175.510 -0.028 0.000 1.119 442 N CA 0.260 53.294 53.050 -0.026 0.000 0.851 442 N CB 0.126 38.603 38.487 -0.016 0.000 0.990 442 N HN 0.033 nan 8.380 nan 0.000 0.497 443 S N 0.564 116.242 115.700 -0.037 0.000 2.585 443 S HA 0.307 4.777 4.470 -0.001 0.000 0.277 443 S C 0.418 174.981 174.600 -0.062 0.000 1.241 443 S CA -0.614 57.568 58.200 -0.031 0.000 1.041 443 S CB 2.034 65.219 63.200 -0.026 0.000 0.987 443 S HN 0.195 nan 8.310 nan 0.000 0.512 444 R N 1.590 122.048 120.500 -0.071 0.000 2.357 444 R HA 0.506 4.845 4.340 -0.001 0.000 0.296 444 R C -1.497 174.667 176.300 -0.226 0.000 1.052 444 R CA -0.286 55.692 56.100 -0.203 0.000 0.988 444 R CB 0.473 30.616 30.300 -0.261 0.000 1.025 444 R HN 0.428 nan 8.270 nan 0.000 0.469 445 V N 5.988 125.707 119.914 -0.326 0.000 2.378 445 V HA 0.392 4.512 4.120 -0.001 0.000 0.288 445 V C -0.946 174.967 176.094 -0.301 0.000 1.016 445 V CA -0.581 61.606 62.300 -0.189 0.000 0.840 445 V CB 1.144 32.902 31.823 -0.109 0.000 0.994 445 V HN 0.606 nan 8.190 nan 0.000 0.431 446 F N 5.409 125.373 119.950 0.024 0.000 2.411 446 F HA 0.645 5.171 4.527 -0.001 0.000 0.352 446 F C -0.184 175.632 175.800 0.026 0.000 1.123 446 F CA -0.695 57.320 58.000 0.026 0.000 1.044 446 F CB 1.683 40.705 39.000 0.037 0.000 1.135 446 F HN 0.339 nan 8.300 nan 0.000 0.461 447 L N 3.380 124.704 121.223 0.168 0.000 2.296 447 L HA 0.831 5.171 4.340 -0.001 0.000 0.286 447 L C -0.156 176.726 176.870 0.021 0.000 1.023 447 L CA -0.253 54.643 54.840 0.093 0.000 0.812 447 L CB 1.446 43.543 42.059 0.063 0.000 1.223 447 L HN 0.617 nan 8.230 nan 0.000 0.421 448 G N 2.531 111.354 108.800 0.039 0.000 2.415 448 G HA2 0.506 4.465 3.960 -0.001 0.000 0.317 448 G HA3 0.506 4.465 3.960 -0.001 0.000 0.317 448 G C -0.820 174.053 174.900 -0.044 0.000 1.152 448 G CA -0.273 44.790 45.100 -0.061 0.000 0.956 448 G HN 0.658 nan 8.290 nan 0.000 0.458 449 T N 1.310 115.637 114.554 -0.379 0.000 2.861 449 T HA 0.666 5.016 4.350 -0.001 0.000 0.287 449 T C 0.828 175.151 174.700 -0.629 0.000 1.003 449 T CA 0.074 61.938 62.100 -0.392 0.000 0.977 449 T CB 1.161 69.872 68.868 -0.262 0.000 0.996 449 T HN 0.690 nan 8.240 nan 0.000 0.448 450 G N 2.314 110.522 108.800 -0.987 0.000 2.636 450 G HA2 0.224 4.184 3.960 -0.001 0.000 0.246 450 G HA3 0.224 4.184 3.960 -0.001 0.000 0.246 450 G C 0.841 175.651 174.900 -0.150 0.000 1.216 450 G CA -0.058 44.780 45.100 -0.436 0.000 0.854 450 G HN 0.856 nan 8.290 nan 0.000 0.572 451 D N -0.151 120.269 120.400 0.034 0.000 2.144 451 D HA -0.071 4.568 4.640 -0.001 0.000 0.200 451 D C 2.236 178.793 176.300 0.428 0.000 0.978 451 D CA 1.297 55.411 54.000 0.190 0.000 0.833 451 D CB -0.947 40.082 40.800 0.382 0.000 0.961 451 D HN 0.477 nan 8.370 nan 0.000 0.470 452 G N 0.595 109.675 108.800 0.467 0.000 2.422 452 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.218 452 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.218 452 G C 1.769 176.975 174.900 0.511 0.000 1.146 452 G CA 1.410 46.741 45.100 0.385 0.000 0.769 452 G HN 0.519 nan 8.290 nan 0.000 0.547 453 A N 0.551 123.595 122.820 0.373 0.000 1.855 453 A HA 0.075 4.394 4.320 -0.001 0.000 0.215 453 A C 2.333 180.074 177.584 0.262 0.000 1.191 453 A CA 1.602 53.795 52.037 0.260 0.000 0.613 453 A CB -0.550 18.535 19.000 0.141 0.000 0.829 453 A HN 0.423 nan 8.150 nan 0.000 0.442 454 L N -1.447 119.837 121.223 0.102 0.000 2.127 454 L HA -0.146 4.194 4.340 -0.001 0.000 0.211 454 L C 2.177 179.239 176.870 0.319 0.000 1.089 454 L CA 1.719 56.544 54.840 -0.024 0.000 0.757 454 L CB -0.885 40.844 42.059 -0.551 0.000 0.899 454 L HN 0.501 nan 8.230 nan 0.000 0.434 455 Y N -1.751 118.791 120.300 0.402 0.000 2.228 455 Y HA -0.383 4.167 4.550 -0.001 0.000 0.285 455 Y C 2.205 178.355 175.900 0.416 0.000 1.178 455 Y CA 2.066 60.478 58.100 0.519 0.000 1.202 455 Y CB -0.324 38.271 38.460 0.224 0.000 0.974 455 Y HN 0.230 nan 8.280 nan 0.000 0.527 456 Y N -1.406 119.054 120.300 0.266 0.000 2.070 456 Y HA -0.253 4.297 4.550 -0.001 0.000 0.279 456 Y C 1.922 177.647 175.900 -0.291 0.000 1.134 456 Y CA 1.884 59.922 58.100 -0.103 0.000 1.113 456 Y CB -0.434 37.872 38.460 -0.257 0.000 0.981 456 Y HN 0.145 nan 8.280 nan 0.000 0.487 457 H N -1.398 117.899 119.070 0.377 0.000 2.649 457 H HA 0.126 4.681 4.556 -0.001 0.000 0.258 457 H C 1.139 176.611 175.328 0.239 0.000 1.165 457 H CA -0.205 56.003 56.048 0.266 0.000 1.006 457 H CB -0.557 29.389 29.762 0.306 0.000 1.743 457 H HN 0.428 nan 8.280 nan 0.000 0.609 458 F N 1.870 121.920 119.950 0.166 0.000 2.546 458 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 458 F C 1.737 177.622 175.800 0.142 0.000 1.120 458 F CA 0.499 58.493 58.000 -0.009 0.000 1.456 458 F CB -0.304 38.753 39.000 0.096 0.000 1.088 458 F HN -0.040 nan 8.300 nan 0.000 0.572 459 N N 0.694 119.184 118.700 -0.350 0.000 2.348 459 N HA -0.238 4.501 4.740 -0.001 0.000 0.185 459 N C 0.979 176.517 175.510 0.046 0.000 1.019 459 N CA 1.562 54.530 53.050 -0.137 0.000 0.880 459 N CB -1.004 37.431 38.487 -0.086 0.000 0.965 459 N HN 0.453 nan 8.380 nan 0.000 0.437 460 E N -0.290 120.001 120.200 0.151 0.000 2.516 460 E HA -0.013 4.337 4.350 -0.001 0.000 0.199 460 E C 0.981 177.657 176.600 0.127 0.000 1.069 460 E CA -0.043 56.456 56.400 0.165 0.000 0.876 460 E CB -0.534 29.261 29.700 0.158 0.000 0.843 460 E HN 0.481 nan 8.360 nan 0.000 0.530 461 F N 1.307 121.275 119.950 0.031 0.000 2.236 461 F HA -0.218 4.309 4.527 -0.001 0.000 0.302 461 F C 2.607 178.326 175.800 -0.135 0.000 1.073 461 F CA 1.138 59.029 58.000 -0.181 0.000 1.336 461 F CB -0.085 38.446 39.000 -0.782 0.000 1.040 461 F HN 0.030 nan 8.300 nan 0.000 0.507 462 R N 0.280 120.836 120.500 0.093 0.000 2.096 462 R HA -0.192 4.147 4.340 -0.001 0.000 0.240 462 R C 2.076 178.502 176.300 0.210 0.000 1.139 462 R CA 2.066 58.328 56.100 0.270 0.000 0.952 462 R CB -0.615 29.854 30.300 0.281 0.000 0.854 462 R HN 0.170 nan 8.270 nan 0.000 0.436 463 V N 0.806 120.822 119.914 0.170 0.000 2.307 463 V HA -0.195 3.925 4.120 -0.001 0.000 0.245 463 V C 2.487 178.693 176.094 0.186 0.000 1.045 463 V CA 1.833 64.251 62.300 0.196 0.000 1.024 463 V CB -0.727 31.160 31.823 0.106 0.000 0.651 463 V HN 0.570 nan 8.190 nan 0.000 0.449 464 A N 0.566 123.449 122.820 0.105 0.000 1.908 464 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 464 A C 2.422 180.111 177.584 0.175 0.000 1.181 464 A CA 2.523 54.620 52.037 0.098 0.000 0.627 464 A CB -0.773 18.263 19.000 0.061 0.000 0.818 464 A HN 0.627 nan 8.150 nan 0.000 0.445 465 V N -2.330 117.719 119.914 0.225 0.000 2.346 465 V HA -0.157 3.962 4.120 -0.001 0.000 0.244 465 V C 1.923 178.091 176.094 0.124 0.000 1.037 465 V CA 2.110 64.534 62.300 0.206 0.000 1.029 465 V CB -1.102 30.879 31.823 0.264 0.000 0.663 465 V HN 0.576 nan 8.190 nan 0.000 0.454 466 E N -0.190 120.068 120.200 0.095 0.000 2.085 466 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 466 E C 2.050 178.544 176.600 -0.178 0.000 0.994 466 E CA 1.758 58.125 56.400 -0.054 0.000 0.801 466 E CB -0.267 29.362 29.700 -0.119 0.000 0.743 466 E HN 0.754 nan 8.360 nan 0.000 0.453 467 H N 0.626 119.724 119.070 0.047 0.000 2.526 467 H HA 0.055 4.611 4.556 -0.001 0.000 0.274 467 H C 0.229 175.574 175.328 0.029 0.000 0.999 467 H CA 0.579 56.644 56.048 0.029 0.000 1.157 467 H CB 0.157 29.928 29.762 0.015 0.000 1.407 467 H HN 0.156 nan 8.280 nan 0.000 0.568 468 K N 0.764 121.230 120.400 0.109 0.000 3.451 468 K HA -0.186 4.134 4.320 -0.001 0.000 0.273 468 K C -1.200 175.444 176.600 0.073 0.000 0.944 468 K CA 0.326 56.664 56.287 0.084 0.000 0.734 468 K CB -2.333 30.201 32.500 0.057 0.000 1.437 468 K HN 0.318 nan 8.250 nan 0.000 0.454 469 L N 1.891 123.158 121.223 0.073 0.000 2.302 469 L HA 0.271 4.611 4.340 -0.001 0.000 0.285 469 L C -1.412 175.465 176.870 0.012 0.000 1.090 469 L CA -1.958 52.896 54.840 0.023 0.000 0.866 469 L CB 0.665 42.717 42.059 -0.012 0.000 1.244 469 L HN 0.177 nan 8.230 nan 0.000 0.435 470 P HA 0.057 nan 4.420 nan 0.000 0.226 470 P C 0.112 177.379 177.300 -0.054 0.000 1.758 470 P CA -0.085 63.010 63.100 -0.008 0.000 0.896 470 P CB 0.107 31.793 31.700 -0.023 0.000 1.784 471 V N 2.514 122.402 119.914 -0.043 0.000 2.599 471 V HA -0.023 4.096 4.120 -0.001 0.000 0.300 471 V C 1.124 177.207 176.094 -0.018 0.000 1.034 471 V CA 0.315 62.571 62.300 -0.072 0.000 1.115 471 V CB 0.309 32.085 31.823 -0.078 0.000 0.934 471 V HN 0.203 nan 8.190 nan 0.000 0.485 472 I N 4.635 125.150 120.570 -0.091 0.000 2.291 472 I HA 0.254 4.424 4.170 -0.001 0.000 0.290 472 I C 0.499 176.657 176.117 0.068 0.000 1.050 472 I CA 0.208 61.504 61.300 -0.006 0.000 1.245 472 I CB 0.525 38.485 38.000 -0.067 0.000 1.405 472 I HN 0.551 nan 8.210 nan 0.000 0.478 473 T N 7.825 122.429 114.554 0.083 0.000 2.749 473 T HA 0.507 4.857 4.350 -0.001 0.000 0.287 473 T C 0.354 175.005 174.700 -0.082 0.000 0.970 473 T CA -0.460 61.649 62.100 0.014 0.000 0.980 473 T CB 0.997 69.887 68.868 0.036 0.000 0.924 473 T HN 0.340 nan 8.240 nan 0.000 0.456 474 M N 3.420 122.896 119.600 -0.207 0.000 2.084 474 M HA 0.366 4.845 4.480 -0.001 0.000 0.351 474 M C -0.214 175.657 176.300 -0.715 0.000 1.240 474 M CA -0.697 54.354 55.300 -0.415 0.000 1.083 474 M CB 1.366 33.677 32.600 -0.481 0.000 1.593 474 M HN 0.290 nan 8.290 nan 0.000 0.463 475 V N 6.036 125.597 119.914 -0.588 0.000 2.333 475 V HA 0.416 4.535 4.120 -0.001 0.000 0.274 475 V C -0.947 174.868 176.094 -0.464 0.000 1.028 475 V CA -0.355 61.561 62.300 -0.640 0.000 0.851 475 V CB 0.299 31.659 31.823 -0.772 0.000 1.000 475 V HN 0.653 nan 8.190 nan 0.000 0.456 476 F N 5.463 125.280 119.950 -0.221 0.000 2.438 476 F HA 0.369 4.896 4.527 -0.001 0.000 0.360 476 F C 1.115 176.847 175.800 -0.114 0.000 1.118 476 F CA -0.478 57.434 58.000 -0.147 0.000 1.164 476 F CB 1.198 40.113 39.000 -0.142 0.000 1.131 476 F HN 0.573 nan 8.300 nan 0.000 0.527 477 T N -0.259 114.356 114.554 0.100 0.000 2.767 477 T HA 0.329 4.679 4.350 -0.001 0.000 0.284 477 T C 0.172 174.882 174.700 0.017 0.000 0.973 477 T CA -0.824 61.319 62.100 0.070 0.000 0.996 477 T CB 1.268 70.192 68.868 0.093 0.000 0.927 477 T HN 0.627 nan 8.240 nan 0.000 0.456 478 N N 0.742 119.422 118.700 -0.033 0.000 2.081 478 N HA 0.102 4.841 4.740 -0.001 0.000 0.230 478 N C -0.204 175.153 175.510 -0.255 0.000 1.351 478 N CA -0.420 52.549 53.050 -0.136 0.000 0.840 478 N CB -0.095 38.307 38.487 -0.143 0.000 1.189 478 N HN 0.668 nan 8.380 nan 0.000 0.503 479 E N -0.696 119.334 120.200 -0.283 0.000 2.539 479 E HA -0.195 4.155 4.350 -0.001 0.000 0.253 479 E C -0.972 175.027 176.600 -1.001 0.000 1.145 479 E CA 1.189 57.254 56.400 -0.559 0.000 0.738 479 E CB -1.860 27.651 29.700 -0.315 0.000 1.308 479 E HN 0.500 nan 8.360 nan 0.000 0.409 480 S N -1.501 113.614 115.700 -0.974 0.000 2.567 480 S HA 0.508 4.978 4.470 -0.001 0.000 0.270 480 S C -1.477 173.002 174.600 -0.203 0.000 1.152 480 S CA -0.862 56.947 58.200 -0.650 0.000 0.835 480 S CB 0.672 63.671 63.200 -0.335 0.000 1.115 480 S HN 0.189 nan 8.310 nan 0.000 0.459 481 Y N 2.538 123.028 120.300 0.318 0.000 2.568 481 Y HA 0.248 4.798 4.550 -0.000 0.000 0.338 481 Y C 1.772 177.838 175.900 0.277 0.000 1.245 481 Y CA 0.023 58.347 58.100 0.373 0.000 1.667 481 Y CB 0.103 38.801 38.460 0.398 0.000 1.568 481 Y HN 0.888 nan 8.280 nan 0.000 0.471 482 G N 1.359 110.338 108.800 0.300 0.000 2.408 482 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.217 482 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.217 482 G C 1.782 176.855 174.900 0.288 0.000 1.150 482 G CA 0.873 46.105 45.100 0.221 0.000 0.776 482 G HN 0.673 nan 8.290 nan 0.000 0.542 483 A N 1.504 124.480 122.820 0.260 0.000 1.908 483 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 483 A C 2.268 179.991 177.584 0.231 0.000 1.181 483 A CA 1.853 54.014 52.037 0.206 0.000 0.627 483 A CB -0.439 18.656 19.000 0.158 0.000 0.818 483 A HN 0.404 nan 8.150 nan 0.000 0.445 484 N N -1.892 116.981 118.700 0.288 0.000 2.250 484 N HA -0.161 4.578 4.740 -0.001 0.000 0.181 484 N C 1.604 177.291 175.510 0.295 0.000 1.017 484 N CA 1.320 54.528 53.050 0.264 0.000 0.866 484 N CB -0.416 38.241 38.487 0.283 0.000 0.985 484 N HN 0.777 nan 8.380 nan 0.000 0.429 485 W N 2.609 124.011 121.300 0.169 0.000 2.317 485 W HA -0.211 4.448 4.660 -0.000 0.000 0.318 485 W C 2.191 178.771 176.519 0.103 0.000 1.227 485 W CA 2.064 59.488 57.345 0.132 0.000 1.269 485 W CB -0.522 29.001 29.460 0.106 0.000 1.155 485 W HN -0.074 nan 8.180 nan 0.000 0.484 486 T N 1.325 116.144 114.554 0.442 0.000 2.701 486 T HA -0.206 4.143 4.350 -0.001 0.000 0.263 486 T C 1.896 176.646 174.700 0.083 0.000 1.040 486 T CA 1.861 64.130 62.100 0.281 0.000 1.147 486 T CB -0.750 68.298 68.868 0.300 0.000 0.865 486 T HN 0.122 nan 8.240 nan 0.000 0.426 487 L N 0.306 121.579 121.223 0.084 0.000 2.017 487 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 487 L C 2.749 179.611 176.870 -0.014 0.000 1.073 487 L CA 1.417 56.266 54.840 0.015 0.000 0.745 487 L CB -0.545 41.523 42.059 0.015 0.000 0.894 487 L HN 0.296 nan 8.230 nan 0.000 0.432 488 M N -0.799 118.803 119.600 0.003 0.000 2.175 488 M HA -0.170 4.310 4.480 -0.001 0.000 0.264 488 M C 1.982 178.246 176.300 -0.061 0.000 1.063 488 M CA 1.338 56.647 55.300 0.015 0.000 1.119 488 M CB -0.510 32.174 32.600 0.139 0.000 1.377 488 M HN 0.288 nan 8.290 nan 0.000 0.415 489 N N -0.200 118.396 118.700 -0.173 0.000 2.120 489 N HA -0.211 4.529 4.740 -0.001 0.000 0.188 489 N C 1.699 177.131 175.510 -0.129 0.000 1.024 489 N CA 1.242 54.154 53.050 -0.230 0.000 0.852 489 N CB -0.657 37.539 38.487 -0.485 0.000 1.003 489 N HN 0.507 nan 8.380 nan 0.000 0.424 490 H N 1.104 120.071 119.070 -0.171 0.000 2.353 490 H HA -0.070 4.485 4.556 -0.001 0.000 0.300 490 H C 1.896 177.094 175.328 -0.216 0.000 1.090 490 H CA 1.618 57.575 56.048 -0.151 0.000 1.327 490 H CB 0.230 29.921 29.762 -0.117 0.000 1.383 490 H HN 0.319 nan 8.280 nan 0.000 0.508 491 Q N -0.842 118.801 119.800 -0.261 0.000 2.096 491 Q HA -0.063 4.277 4.340 -0.001 0.000 0.197 491 Q C 0.989 176.555 176.000 -0.724 0.000 0.964 491 Q CA 1.374 56.830 55.803 -0.578 0.000 0.838 491 Q CB 0.229 28.462 28.738 -0.842 0.000 0.906 491 Q HN 0.383 nan 8.270 nan 0.000 0.444 492 F N -2.172 117.719 119.950 -0.099 0.000 2.784 492 F HA 0.410 4.937 4.527 -0.001 0.000 0.323 492 F C 1.248 176.981 175.800 -0.110 0.000 1.085 492 F CA 0.337 58.276 58.000 -0.101 0.000 1.196 492 F CB 0.971 39.912 39.000 -0.098 0.000 1.053 492 F HN 0.161 nan 8.300 nan 0.000 0.578 493 G N 0.754 109.553 108.800 -0.002 0.000 2.148 493 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.254 493 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.254 493 G C 0.018 174.891 174.900 -0.045 0.000 0.981 493 G CA 0.529 45.603 45.100 -0.043 0.000 0.670 493 G HN 0.458 nan 8.290 nan 0.000 0.528 494 Q N -0.190 119.599 119.800 -0.018 0.000 2.403 494 Q HA 0.502 4.841 4.340 -0.001 0.000 0.267 494 Q C -0.528 175.443 176.000 -0.049 0.000 0.991 494 Q CA -0.175 55.592 55.803 -0.059 0.000 0.906 494 Q CB 0.686 29.407 28.738 -0.029 0.000 1.422 494 Q HN 0.612 nan 8.270 nan 0.000 0.400 495 N N 1.741 120.358 118.700 -0.138 0.000 2.508 495 N HA 0.700 5.440 4.740 -0.001 0.000 0.285 495 N C -0.840 174.679 175.510 0.016 0.000 1.144 495 N CA -0.581 52.421 53.050 -0.081 0.000 0.978 495 N CB 1.094 39.434 38.487 -0.245 0.000 1.180 495 N HN 0.486 nan 8.380 nan 0.000 0.484 496 N N 0.191 118.922 118.700 0.052 0.000 2.308 496 N HA 0.282 5.022 4.740 -0.001 0.000 0.283 496 N C -1.348 174.320 175.510 0.263 0.000 1.105 496 N CA -0.514 52.599 53.050 0.104 0.000 0.840 496 N CB 0.524 38.956 38.487 -0.093 0.000 1.633 496 N HN 0.764 nan 8.380 nan 0.000 0.476 497 W N -0.055 121.331 121.300 0.143 0.000 2.560 497 W HA -0.231 4.428 4.660 -0.001 0.000 0.279 497 W C 1.316 178.029 176.519 0.323 0.000 1.090 497 W CA 1.115 58.573 57.345 0.188 0.000 0.535 497 W CB -2.688 26.853 29.460 0.135 0.000 2.121 497 W HN 0.695 nan 8.180 nan 0.000 1.314 498 T N -3.758 111.117 114.554 0.535 0.000 3.014 498 T HA 0.194 4.544 4.350 -0.001 0.000 0.250 498 T C 0.570 175.522 174.700 0.420 0.000 1.060 498 T CA 0.504 62.959 62.100 0.592 0.000 1.040 498 T CB 0.758 69.942 68.868 0.526 0.000 0.971 498 T HN -0.083 nan 8.240 nan 0.000 0.497 499 E N 1.625 121.997 120.200 0.286 0.000 2.214 499 E HA 0.647 4.997 4.350 -0.001 0.000 0.274 499 E C -0.792 175.843 176.600 0.058 0.000 0.977 499 E CA -0.785 55.628 56.400 0.022 0.000 0.827 499 E CB 1.696 31.442 29.700 0.076 0.000 1.130 499 E HN 0.573 nan 8.360 nan 0.000 0.394 500 F N -1.615 118.315 119.950 -0.033 0.000 2.713 500 F HA 0.449 4.975 4.527 -0.001 0.000 0.311 500 F C -0.666 175.119 175.800 -0.025 0.000 1.141 500 F CA -1.345 56.622 58.000 -0.054 0.000 0.939 500 F CB 1.018 39.929 39.000 -0.148 0.000 1.325 500 F HN 0.280 nan 8.300 nan 0.000 0.453 501 M N 2.978 122.724 119.600 0.243 0.000 2.211 501 M HA 0.368 4.847 4.480 -0.001 0.000 0.356 501 M C -1.048 175.462 176.300 0.349 0.000 1.216 501 M CA -0.138 55.268 55.300 0.175 0.000 1.134 501 M CB 0.630 33.286 32.600 0.093 0.000 1.564 501 M HN 0.706 nan 8.290 nan 0.000 0.463 502 N N 5.565 124.402 118.700 0.228 0.000 2.508 502 N HA 0.542 5.282 4.740 -0.001 0.000 0.285 502 N C -2.393 172.996 175.510 -0.203 0.000 1.144 502 N CA -0.870 52.248 53.050 0.114 0.000 0.978 502 N CB 0.814 39.374 38.487 0.123 0.000 1.180 502 N HN 0.528 nan 8.380 nan 0.000 0.484 503 P HA 0.053 nan 4.420 nan 0.000 0.277 503 P C -0.520 176.435 177.300 -0.576 0.000 1.276 503 P CA -0.289 62.442 63.100 -0.614 0.000 0.788 503 P CB 0.467 31.621 31.700 -0.910 0.000 1.114 504 D N -0.455 119.722 120.400 -0.372 0.000 2.398 504 D HA -0.013 4.626 4.640 -0.001 0.000 0.250 504 D C 0.731 176.876 176.300 -0.257 0.000 1.287 504 D CA 0.034 53.889 54.000 -0.241 0.000 0.992 504 D CB -0.652 40.056 40.800 -0.154 0.000 1.071 504 D HN 0.251 nan 8.370 nan 0.000 0.514 505 W N 2.552 123.740 121.300 -0.188 0.000 2.363 505 W HA -0.167 4.492 4.660 -0.001 0.000 0.296 505 W C 2.299 178.686 176.519 -0.221 0.000 1.212 505 W CA 0.180 57.376 57.345 -0.249 0.000 1.260 505 W CB -0.074 29.240 29.460 -0.243 0.000 1.131 505 W HN 0.277 nan 8.180 nan 0.000 0.530 506 V N 0.413 120.351 119.914 0.039 0.000 2.343 506 V HA -0.244 3.876 4.120 -0.001 0.000 0.247 506 V C 2.402 178.445 176.094 -0.086 0.000 1.051 506 V CA 2.055 64.324 62.300 -0.052 0.000 1.036 506 V CB -1.597 30.185 31.823 -0.069 0.000 0.654 506 V HN 0.373 nan 8.190 nan 0.000 0.451 507 G N 0.162 108.909 108.800 -0.088 0.000 2.440 507 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 507 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 507 G C 1.489 176.333 174.900 -0.093 0.000 1.154 507 G CA 0.883 45.924 45.100 -0.097 0.000 0.767 507 G HN 0.377 nan 8.290 nan 0.000 0.552 508 I N 1.867 122.377 120.570 -0.099 0.000 2.163 508 I HA -0.182 3.988 4.170 -0.001 0.000 0.243 508 I C 3.292 179.409 176.117 -0.000 0.000 1.085 508 I CA 1.384 62.665 61.300 -0.031 0.000 1.347 508 I CB -1.342 36.610 38.000 -0.080 0.000 1.044 508 I HN 0.275 nan 8.210 nan 0.000 0.408 509 A N 0.896 123.632 122.820 -0.139 0.000 1.908 509 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 509 A C 2.361 179.871 177.584 -0.123 0.000 1.181 509 A CA 1.782 53.647 52.037 -0.286 0.000 0.627 509 A CB -0.548 18.279 19.000 -0.289 0.000 0.818 509 A HN 0.387 nan 8.150 nan 0.000 0.445 510 K N -0.413 119.928 120.400 -0.099 0.000 2.097 510 K HA 0.011 4.330 4.320 -0.001 0.000 0.205 510 K C 2.182 178.753 176.600 -0.049 0.000 1.050 510 K CA 0.970 57.213 56.287 -0.072 0.000 0.938 510 K CB -0.291 32.157 32.500 -0.088 0.000 0.718 510 K HN 0.438 nan 8.250 nan 0.000 0.442 511 A N 0.319 123.100 122.820 -0.066 0.000 2.070 511 A HA -0.096 4.224 4.320 -0.001 0.000 0.220 511 A C 1.619 179.081 177.584 -0.203 0.000 1.159 511 A CA 1.116 53.073 52.037 -0.133 0.000 0.656 511 A CB -0.456 18.439 19.000 -0.173 0.000 0.800 511 A HN 0.226 nan 8.150 nan 0.000 0.453 512 F N -1.148 118.773 119.950 -0.048 0.000 2.776 512 F HA 0.317 4.844 4.527 -0.001 0.000 0.300 512 F C 1.848 177.659 175.800 0.019 0.000 1.116 512 F CA 0.815 58.818 58.000 0.005 0.000 1.375 512 F CB 0.386 39.391 39.000 0.008 0.000 1.109 512 F HN 0.367 nan 8.300 nan 0.000 0.585 513 G N 0.643 109.517 108.800 0.124 0.000 2.143 513 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.249 513 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.249 513 G C 0.275 175.248 174.900 0.121 0.000 0.981 513 G CA -0.063 45.099 45.100 0.103 0.000 0.665 513 G HN 0.607 nan 8.290 nan 0.000 0.528 514 A N -0.712 122.169 122.820 0.101 0.000 2.271 514 A HA 0.693 5.013 4.320 -0.001 0.000 0.288 514 A C 0.043 177.673 177.584 0.077 0.000 1.094 514 A CA -0.356 51.746 52.037 0.110 0.000 0.828 514 A CB 0.565 19.572 19.000 0.012 0.000 1.091 514 A HN 1.332 nan 8.150 nan 0.000 0.493 515 Y N 0.543 120.870 120.300 0.046 0.000 2.442 515 Y HA 0.433 4.983 4.550 -0.001 0.000 0.330 515 Y C 0.686 176.589 175.900 0.005 0.000 1.129 515 Y CA 0.917 59.034 58.100 0.028 0.000 1.365 515 Y CB 0.483 38.966 38.460 0.040 0.000 1.233 515 Y HN 0.705 nan 8.280 nan 0.000 0.529 516 G N 4.929 113.305 108.800 -0.705 0.000 2.571 516 G HA2 0.521 4.480 3.960 -0.001 0.000 0.304 516 G HA3 0.521 4.480 3.960 -0.001 0.000 0.304 516 G C -1.967 172.594 174.900 -0.566 0.000 1.314 516 G CA -0.787 44.038 45.100 -0.458 0.000 0.975 516 G HN 0.669 nan 8.290 nan 0.000 0.485 517 E N 0.143 120.206 120.200 -0.228 0.000 2.381 517 E HA 0.479 4.829 4.350 -0.001 0.000 0.286 517 E C -1.489 175.097 176.600 -0.023 0.000 0.960 517 E CA -0.618 55.720 56.400 -0.102 0.000 0.793 517 E CB 2.055 31.783 29.700 0.046 0.000 1.225 517 E HN 0.493 nan 8.360 nan 0.000 0.420 518 S N 2.189 117.880 115.700 -0.015 0.000 2.475 518 S HA 0.363 4.832 4.470 -0.001 0.000 0.298 518 S C 0.389 174.999 174.600 0.016 0.000 1.119 518 S CA -0.371 57.831 58.200 0.004 0.000 1.085 518 S CB 1.406 64.607 63.200 0.001 0.000 1.028 518 S HN 0.609 nan 8.310 nan 0.000 0.489 519 V N 4.351 124.279 119.914 0.023 0.000 3.342 519 V HA 0.401 4.520 4.120 -0.001 0.000 0.322 519 V C 1.801 177.906 176.094 0.018 0.000 1.370 519 V CA 0.235 62.550 62.300 0.025 0.000 1.170 519 V CB -0.776 31.067 31.823 0.034 0.000 1.101 519 V HN 0.905 nan 8.190 nan 0.000 0.442 520 R N 0.973 121.481 120.500 0.014 0.000 2.103 520 R HA -0.146 4.194 4.340 -0.001 0.000 0.242 520 R C 1.885 178.187 176.300 0.003 0.000 1.142 520 R CA 2.216 58.321 56.100 0.008 0.000 0.960 520 R CB 0.126 30.430 30.300 0.006 0.000 0.858 520 R HN 0.591 nan 8.270 nan 0.000 0.439 521 E N -1.181 119.021 120.200 0.003 0.000 2.452 521 E HA -0.010 4.340 4.350 -0.001 0.000 0.197 521 E C 1.500 178.101 176.600 0.003 0.000 1.022 521 E CA 1.195 57.595 56.400 0.001 0.000 0.890 521 E CB 1.033 30.732 29.700 -0.001 0.000 0.918 521 E HN 0.563 nan 8.360 nan 0.000 0.496 522 T N -3.777 110.782 114.554 0.007 0.000 2.978 522 T HA 0.257 4.607 4.350 -0.001 0.000 0.248 522 T C 1.681 176.386 174.700 0.009 0.000 1.018 522 T CA 0.706 62.812 62.100 0.009 0.000 1.026 522 T CB 0.400 69.277 68.868 0.015 0.000 1.032 522 T HN 0.129 nan 8.240 nan 0.000 0.485 523 G N 1.979 110.786 108.800 0.011 0.000 2.180 523 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.263 523 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.263 523 G C 0.067 174.977 174.900 0.016 0.000 0.989 523 G CA 0.464 45.571 45.100 0.011 0.000 0.692 523 G HN 0.687 nan 8.290 nan 0.000 0.526 524 D N 0.226 120.639 120.400 0.022 0.000 2.845 524 D HA 0.390 5.029 4.640 -0.001 0.000 0.235 524 D C 1.922 178.243 176.300 0.035 0.000 1.158 524 D CA -0.505 53.510 54.000 0.025 0.000 0.990 524 D CB -0.639 40.177 40.800 0.027 0.000 1.094 524 D HN 0.392 nan 8.370 nan 0.000 0.486 525 I N 0.694 121.284 120.570 0.034 0.000 2.208 525 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 525 I C 2.385 178.526 176.117 0.040 0.000 1.097 525 I CA 1.013 62.339 61.300 0.043 0.000 1.363 525 I CB -0.187 37.840 38.000 0.044 0.000 1.051 525 I HN 0.273 nan 8.210 nan 0.000 0.413 526 A N 1.145 123.981 122.820 0.027 0.000 1.865 526 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 526 A C 2.467 180.069 177.584 0.029 0.000 1.191 526 A CA 2.181 54.232 52.037 0.023 0.000 0.623 526 A CB -1.558 17.450 19.000 0.013 0.000 0.826 526 A HN 0.465 nan 8.150 nan 0.000 0.444 527 G N -0.845 107.973 108.800 0.030 0.000 2.422 527 G HA2 0.032 3.992 3.960 -0.001 0.000 0.218 527 G HA3 0.032 3.992 3.960 -0.001 0.000 0.218 527 G C 1.724 176.650 174.900 0.044 0.000 1.146 527 G CA 1.456 46.575 45.100 0.032 0.000 0.769 527 G HN 0.836 nan 8.290 nan 0.000 0.547 528 A N 0.555 123.412 122.820 0.063 0.000 1.902 528 A HA 0.104 4.423 4.320 -0.001 0.000 0.217 528 A C 2.427 180.051 177.584 0.066 0.000 1.181 528 A CA 1.218 53.313 52.037 0.097 0.000 0.623 528 A CB -0.385 18.681 19.000 0.111 0.000 0.818 528 A HN 0.354 nan 8.150 nan 0.000 0.443 529 L N -0.734 120.526 121.223 0.063 0.000 2.046 529 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 529 L C 2.932 179.821 176.870 0.032 0.000 1.077 529 L CA 1.172 56.058 54.840 0.077 0.000 0.747 529 L CB -0.512 41.608 42.059 0.102 0.000 0.896 529 L HN 0.397 nan 8.230 nan 0.000 0.432 530 Q N 0.096 119.905 119.800 0.015 0.000 2.061 530 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 530 Q C 2.351 178.306 176.000 -0.074 0.000 0.984 530 Q CA 1.634 57.430 55.803 -0.011 0.000 0.846 530 Q CB -0.282 28.456 28.738 -0.001 0.000 0.902 530 Q HN 0.512 nan 8.270 nan 0.000 0.421 531 R N 0.133 120.569 120.500 -0.108 0.000 2.092 531 R HA -0.029 4.310 4.340 -0.001 0.000 0.231 531 R C 2.306 178.263 176.300 -0.572 0.000 1.119 531 R CA 1.019 56.970 56.100 -0.248 0.000 0.970 531 R CB -0.326 29.890 30.300 -0.139 0.000 0.864 531 R HN 0.215 nan 8.270 nan 0.000 0.440 532 A N 1.359 123.880 122.820 -0.497 0.000 1.877 532 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 532 A C 2.142 179.573 177.584 -0.256 0.000 1.186 532 A CA 1.217 52.969 52.037 -0.474 0.000 0.620 532 A CB -0.483 18.454 19.000 -0.106 0.000 0.822 532 A HN 0.167 nan 8.150 nan 0.000 0.443 533 I N -0.252 120.234 120.570 -0.141 0.000 2.226 533 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 533 I C 2.284 178.344 176.117 -0.096 0.000 1.100 533 I CA 1.970 63.218 61.300 -0.088 0.000 1.374 533 I CB -0.451 37.533 38.000 -0.027 0.000 1.057 533 I HN 0.454 nan 8.210 nan 0.000 0.413 534 D N 0.634 120.965 120.400 -0.116 0.000 2.178 534 D HA -0.206 4.434 4.640 -0.001 0.000 0.201 534 D C 2.235 178.479 176.300 -0.094 0.000 0.980 534 D CA 1.518 55.462 54.000 -0.092 0.000 0.842 534 D CB 0.074 40.822 40.800 -0.088 0.000 0.948 534 D HN 0.340 nan 8.370 nan 0.000 0.472 535 S N -0.954 114.651 115.700 -0.158 0.000 2.419 535 S HA -0.027 4.442 4.470 -0.001 0.000 0.233 535 S C 2.130 176.718 174.600 -0.020 0.000 1.016 535 S CA 1.248 59.395 58.200 -0.089 0.000 0.974 535 S CB -0.829 62.299 63.200 -0.120 0.000 0.786 535 S HN 0.584 nan 8.310 nan 0.000 0.492 536 G N 0.967 109.749 108.800 -0.030 0.000 2.196 536 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.268 536 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.268 536 G C 0.040 174.955 174.900 0.026 0.000 0.975 536 G CA 0.842 45.940 45.100 -0.004 0.000 0.648 536 G HN 0.664 nan 8.290 nan 0.000 0.538 537 K N 0.696 121.126 120.400 0.050 0.000 2.211 537 K HA 0.529 4.848 4.320 -0.001 0.000 0.237 537 K C -2.452 174.223 176.600 0.126 0.000 1.002 537 K CA -2.138 54.210 56.287 0.102 0.000 0.885 537 K CB 1.763 34.352 32.500 0.149 0.000 1.136 537 K HN -0.040 nan 8.250 nan 0.000 0.448 538 P HA -0.016 nan 4.420 nan 0.000 0.266 538 P C -1.346 176.141 177.300 0.310 0.000 1.195 538 P CA 0.069 63.319 63.100 0.250 0.000 0.768 538 P CB 0.659 32.578 31.700 0.365 0.000 0.838 539 A N 3.045 126.043 122.820 0.298 0.000 2.435 539 A HA 0.674 4.994 4.320 -0.001 0.000 0.304 539 A C -1.554 176.190 177.584 0.266 0.000 1.064 539 A CA -0.665 51.554 52.037 0.303 0.000 0.727 539 A CB 1.286 20.434 19.000 0.246 0.000 1.284 539 A HN 0.482 nan 8.150 nan 0.000 0.415 540 L N 2.527 123.864 121.223 0.190 0.000 2.372 540 L HA 0.671 5.011 4.340 -0.001 0.000 0.274 540 L C -1.316 175.573 176.870 0.031 0.000 0.988 540 L CA -0.208 54.676 54.840 0.074 0.000 0.833 540 L CB 1.143 43.199 42.059 -0.004 0.000 1.236 540 L HN 0.585 nan 8.230 nan 0.000 0.410 541 I N 4.495 125.065 120.570 -0.001 0.000 2.354 541 I HA 0.348 4.517 4.170 -0.001 0.000 0.286 541 I C 0.030 176.100 176.117 -0.078 0.000 1.007 541 I CA -0.481 60.820 61.300 0.002 0.000 1.167 541 I CB 1.479 39.503 38.000 0.040 0.000 1.320 541 I HN 0.555 nan 8.210 nan 0.000 0.458 542 E N 7.921 128.091 120.200 -0.051 0.000 2.194 542 E HA 0.382 4.732 4.350 -0.001 0.000 0.284 542 E C -1.034 175.561 176.600 -0.009 0.000 1.035 542 E CA -0.327 56.040 56.400 -0.054 0.000 0.836 542 E CB 1.030 30.735 29.700 0.008 0.000 1.070 542 E HN 0.538 nan 8.360 nan 0.000 0.401 543 I N 7.136 127.708 120.570 0.002 0.000 2.466 543 I HA 0.248 4.417 4.170 -0.001 0.000 0.279 543 I C -2.357 173.823 176.117 0.105 0.000 1.033 543 I CA -2.408 58.941 61.300 0.082 0.000 1.123 543 I CB 1.786 39.894 38.000 0.181 0.000 1.237 543 I HN 0.240 nan 8.210 nan 0.000 0.460 544 P HA 0.098 nan 4.420 nan 0.000 0.268 544 P C -0.505 176.811 177.300 0.027 0.000 1.204 544 P CA -0.036 63.087 63.100 0.038 0.000 0.768 544 P CB 0.889 32.596 31.700 0.011 0.000 0.842 545 V N 0.063 119.979 119.914 0.004 0.000 3.158 545 V HA 0.776 4.896 4.120 -0.001 0.000 0.311 545 V C -0.002 176.048 176.094 -0.073 0.000 1.181 545 V CA -1.067 61.207 62.300 -0.043 0.000 1.054 545 V CB 1.608 33.385 31.823 -0.077 0.000 1.085 545 V HN 0.547 nan 8.190 nan 0.000 0.446 546 S N 0.367 116.015 115.700 -0.086 0.000 2.614 546 S HA 0.347 4.817 4.470 -0.001 0.000 0.265 546 S C 0.626 175.140 174.600 -0.143 0.000 1.303 546 S CA -0.077 58.057 58.200 -0.110 0.000 1.000 546 S CB 0.691 63.845 63.200 -0.077 0.000 0.935 546 S HN 0.818 nan 8.310 nan 0.000 0.551 547 K N 0.166 120.415 120.400 -0.251 0.000 2.365 547 K HA -0.027 4.293 4.320 -0.001 0.000 0.199 547 K C 1.776 178.326 176.600 -0.082 0.000 1.045 547 K CA 1.380 57.475 56.287 -0.321 0.000 0.962 547 K CB -0.324 31.638 32.500 -0.897 0.000 0.759 547 K HN 0.904 nan 8.250 nan 0.000 0.469 548 T N -2.766 111.784 114.554 -0.007 0.000 2.990 548 T HA -0.018 4.331 4.350 -0.001 0.000 0.249 548 T C 0.828 175.576 174.700 0.080 0.000 1.039 548 T CA -0.393 61.772 62.100 0.109 0.000 1.036 548 T CB 0.138 69.099 68.868 0.154 0.000 0.994 548 T HN 0.031 nan 8.240 nan 0.000 0.489 549 Q N 1.402 121.223 119.800 0.036 0.000 2.300 549 Q HA 0.429 4.768 4.340 -0.001 0.000 0.280 549 Q C 0.714 176.740 176.000 0.044 0.000 1.033 549 Q CA 1.044 56.874 55.803 0.044 0.000 0.903 549 Q CB -0.177 28.561 28.738 -0.000 0.000 1.195 549 Q HN 0.681 nan 8.270 nan 0.000 0.386 550 G N 2.350 111.207 108.800 0.095 0.000 2.358 550 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.198 550 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.198 550 G C 0.244 175.181 174.900 0.062 0.000 1.220 550 G CA -0.182 44.958 45.100 0.067 0.000 1.187 550 G HN 0.786 nan 8.290 nan 0.000 0.544 551 L N 0.606 121.825 121.223 -0.007 0.000 2.010 551 L HA -0.025 4.315 4.340 -0.001 0.000 0.219 551 L C 2.975 179.867 176.870 0.037 0.000 1.077 551 L CA 3.506 58.333 54.840 -0.021 0.000 0.773 551 L CB -0.484 41.530 42.059 -0.076 0.000 0.892 551 L HN 1.335 nan 8.230 nan 0.000 0.436 552 A N -2.456 120.393 122.820 0.048 0.000 2.208 552 A HA 0.026 4.346 4.320 -0.001 0.000 0.209 552 A C 1.969 179.573 177.584 0.034 0.000 1.161 552 A CA 1.254 53.314 52.037 0.039 0.000 0.782 552 A CB -0.089 18.953 19.000 0.070 0.000 0.816 552 A HN 0.562 nan 8.150 nan 0.000 0.477 553 S N -0.884 114.855 115.700 0.065 0.000 2.769 553 S HA 0.116 4.586 4.470 -0.001 0.000 0.258 553 S C -0.451 174.210 174.600 0.101 0.000 1.080 553 S CA -0.446 57.801 58.200 0.079 0.000 0.943 553 S CB 0.148 63.412 63.200 0.108 0.000 0.893 553 S HN 0.472 nan 8.310 nan 0.000 0.490 554 D N 3.761 124.245 120.400 0.140 0.000 2.308 554 D HA 0.300 4.940 4.640 -0.001 0.000 0.251 554 D C -2.407 173.934 176.300 0.069 0.000 1.127 554 D CA -1.419 52.712 54.000 0.218 0.000 0.876 554 D CB 0.698 41.741 40.800 0.405 0.000 1.176 554 D HN 0.143 nan 8.370 nan 0.000 0.446 555 P HA 0.045 nan 4.420 nan 0.000 0.280 555 P C 0.271 177.378 177.300 -0.322 0.000 1.386 555 P CA -0.354 62.658 63.100 -0.147 0.000 0.899 555 P CB 0.599 32.230 31.700 -0.115 0.000 1.098 556 V N -0.177 119.613 119.914 -0.206 0.000 3.214 556 V HA 0.513 4.633 4.120 -0.001 0.000 0.330 556 V C 1.158 177.132 176.094 -0.201 0.000 1.403 556 V CA 0.366 62.533 62.300 -0.220 0.000 1.143 556 V CB -0.472 31.276 31.823 -0.125 0.000 1.098 556 V HN 0.628 nan 8.190 nan 0.000 0.463 557 G N -0.227 108.473 108.800 -0.167 0.000 2.143 557 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.249 557 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.249 557 G C 0.636 175.465 174.900 -0.118 0.000 0.981 557 G CA 0.083 45.092 45.100 -0.152 0.000 0.665 557 G HN 1.493 nan 8.290 nan 0.000 0.528 558 G N -1.072 107.678 108.800 -0.084 0.000 2.594 558 G HA2 0.564 4.524 3.960 -0.001 0.000 0.243 558 G HA3 0.564 4.524 3.960 -0.001 0.000 0.243 558 G C 1.220 176.081 174.900 -0.065 0.000 1.229 558 G CA 0.732 45.802 45.100 -0.050 0.000 0.843 558 G HN 1.438 nan 8.290 nan 0.000 0.578 559 V N -0.851 119.021 119.914 -0.069 0.000 3.604 559 V HA 0.663 4.783 4.120 -0.001 0.000 0.277 559 V C 0.897 176.930 176.094 -0.101 0.000 1.399 559 V CA 1.061 63.316 62.300 -0.075 0.000 1.034 559 V CB -0.132 31.655 31.823 -0.059 0.000 0.824 559 V HN 1.159 nan 8.190 nan 0.000 0.439 560 G N 0.385 109.095 108.800 -0.149 0.000 2.731 560 G HA2 0.625 4.585 3.960 -0.001 0.000 0.309 560 G HA3 0.625 4.585 3.960 -0.001 0.000 0.309 560 G C -3.311 171.279 174.900 -0.516 0.000 1.273 560 G CA -0.609 44.342 45.100 -0.248 0.000 0.798 560 G HN 0.141 nan 8.290 nan 0.000 0.509 561 P HA 0.193 nan 4.420 nan 0.000 0.286 561 P C -0.566 176.551 177.300 -0.305 0.000 1.293 561 P CA -0.420 62.406 63.100 -0.456 0.000 0.770 561 P CB 0.638 32.030 31.700 -0.513 0.000 1.206 562 N N -0.321 118.288 118.700 -0.152 0.000 3.298 562 N HA 0.106 4.845 4.740 -0.001 0.000 0.292 562 N C 0.924 176.391 175.510 -0.071 0.000 1.271 562 N CA -0.010 52.983 53.050 -0.096 0.000 1.184 562 N CB -1.182 37.282 38.487 -0.040 0.000 1.452 562 N HN 0.246 nan 8.380 nan 0.000 0.534 563 L N -0.039 121.110 121.223 -0.122 0.000 2.093 563 L HA -0.024 4.315 4.340 -0.001 0.000 0.208 563 L C 0.768 177.610 176.870 -0.046 0.000 1.085 563 L CA 0.855 55.651 54.840 -0.074 0.000 0.755 563 L CB -0.117 41.863 42.059 -0.131 0.000 0.904 563 L HN 0.383 nan 8.230 nan 0.000 0.435 564 L N 2.679 123.859 121.223 -0.072 0.000 2.956 564 L HA 0.223 4.563 4.340 -0.001 0.000 0.232 564 L C -0.316 176.527 176.870 -0.045 0.000 1.291 564 L CA -0.861 53.939 54.840 -0.066 0.000 1.122 564 L CB 0.031 42.041 42.059 -0.082 0.000 1.461 564 L HN 0.112 nan 8.230 nan 0.000 0.470 565 L N -0.749 120.460 121.223 -0.023 0.000 2.483 565 L HA 0.241 4.581 4.340 -0.001 0.000 0.275 565 L C 0.191 177.057 176.870 -0.007 0.000 1.220 565 L CA 0.238 55.072 54.840 -0.010 0.000 0.833 565 L CB -0.062 42.000 42.059 0.006 0.000 1.102 565 L HN 0.059 nan 8.230 nan 0.000 0.490 566 K N 2.397 122.795 120.400 -0.004 0.000 2.213 566 K HA 0.525 4.845 4.320 -0.001 0.000 0.270 566 K C 0.236 176.841 176.600 0.008 0.000 1.002 566 K CA -0.038 56.248 56.287 -0.001 0.000 0.868 566 K CB 1.398 33.895 32.500 -0.005 0.000 1.093 566 K HN 0.972 nan 8.250 nan 0.000 0.454 567 G N 2.492 111.301 108.800 0.016 0.000 2.569 567 G HA2 0.215 4.175 3.960 -0.001 0.000 0.249 567 G HA3 0.215 4.175 3.960 -0.001 0.000 0.249 567 G C -0.281 174.626 174.900 0.013 0.000 1.216 567 G CA -0.512 44.599 45.100 0.018 0.000 0.845 567 G HN 0.442 nan 8.290 nan 0.000 0.568 568 R N -0.117 120.390 120.500 0.012 0.000 2.668 568 R HA 0.298 4.638 4.340 -0.001 0.000 0.279 568 R C -0.345 175.962 176.300 0.011 0.000 0.976 568 R CA -0.699 55.407 56.100 0.010 0.000 0.978 568 R CB 2.061 32.366 30.300 0.009 0.000 1.133 568 R HN 0.649 nan 8.270 nan 0.000 0.484 569 E N 2.597 122.802 120.200 0.010 0.000 2.223 569 E HA 0.116 4.466 4.350 -0.001 0.000 0.282 569 E C -0.506 176.102 176.600 0.013 0.000 1.046 569 E CA -0.400 56.007 56.400 0.011 0.000 0.857 569 E CB 0.598 30.304 29.700 0.009 0.000 1.055 569 E HN 0.238 nan 8.360 nan 0.000 0.409 570 I N 6.492 127.071 120.570 0.016 0.000 2.392 570 I HA 0.285 4.455 4.170 -0.001 0.000 0.295 570 I C -1.698 174.433 176.117 0.022 0.000 0.985 570 I CA -2.651 58.660 61.300 0.018 0.000 1.221 570 I CB 0.523 38.536 38.000 0.022 0.000 1.366 570 I HN 0.539 nan 8.210 nan 0.000 0.467 571 P HA 0.189 nan 4.420 nan 0.000 0.271 571 P C -0.428 176.890 177.300 0.030 0.000 1.216 571 P CA -0.216 62.896 63.100 0.021 0.000 0.776 571 P CB 1.019 32.727 31.700 0.013 0.000 0.881 572 V N -0.826 119.112 119.914 0.039 0.000 2.775 572 V HA 0.217 4.336 4.120 -0.001 0.000 0.299 572 V C 0.225 176.333 176.094 0.024 0.000 1.062 572 V CA -0.647 61.685 62.300 0.053 0.000 1.063 572 V CB 0.391 32.261 31.823 0.080 0.000 0.994 572 V HN 0.422 nan 8.190 nan 0.000 0.483 573 D N 3.102 123.502 120.400 -0.001 0.000 2.346 573 D HA 0.252 4.891 4.640 -0.001 0.000 0.260 573 D C 1.208 177.489 176.300 -0.032 0.000 1.252 573 D CA 0.742 54.721 54.000 -0.035 0.000 0.895 573 D CB 0.985 41.732 40.800 -0.088 0.000 1.097 573 D HN 0.980 nan 8.370 nan 0.000 0.489 574 T N -0.037 114.507 114.554 -0.016 0.000 3.223 574 T HA 0.242 4.591 4.350 -0.001 0.000 0.259 574 T C 1.766 176.455 174.700 -0.018 0.000 1.015 574 T CA -0.225 61.870 62.100 -0.010 0.000 0.908 574 T CB 0.500 69.370 68.868 0.004 0.000 1.054 574 T HN 0.267 nan 8.240 nan 0.000 0.567 575 G N 1.173 109.955 108.800 -0.031 0.000 2.498 575 G HA2 0.311 4.270 3.960 -0.001 0.000 0.219 575 G HA3 0.311 4.270 3.960 -0.001 0.000 0.219 575 G C 1.295 176.175 174.900 -0.033 0.000 1.119 575 G CA 0.405 45.486 45.100 -0.031 0.000 0.766 575 G HN 1.176 nan 8.290 nan 0.000 0.552 576 G N -0.984 107.793 108.800 -0.038 0.000 2.380 576 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.197 576 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.197 576 G C 0.716 175.584 174.900 -0.053 0.000 1.001 576 G CA 0.593 45.671 45.100 -0.038 0.000 0.668 576 G HN 1.423 nan 8.290 nan 0.000 0.483 577 S N 1.109 116.767 115.700 -0.070 0.000 2.579 577 S HA 0.720 5.190 4.470 -0.001 0.000 0.275 577 S C 0.601 175.136 174.600 -0.109 0.000 1.345 577 S CA -0.104 58.045 58.200 -0.084 0.000 1.031 577 S CB 1.056 64.202 63.200 -0.091 0.000 0.892 577 S HN 0.425 nan 8.310 nan 0.000 0.529 578 M N 1.613 121.163 119.600 -0.083 0.000 2.471 578 M HA 0.388 4.867 4.480 -0.001 0.000 0.309 578 M C -0.788 175.460 176.300 -0.086 0.000 1.186 578 M CA -0.617 54.660 55.300 -0.039 0.000 1.008 578 M CB 0.840 33.464 32.600 0.039 0.000 1.551 578 M HN 0.707 nan 8.290 nan 0.000 0.477 579 Y N 0.459 120.778 120.300 0.033 0.000 2.314 579 Y HA 0.200 4.750 4.550 -0.001 0.000 0.334 579 Y C -1.778 174.136 175.900 0.022 0.000 1.266 579 Y CA -1.492 56.621 58.100 0.023 0.000 1.391 579 Y CB -0.335 38.138 38.460 0.021 0.000 1.306 579 Y HN 0.385 nan 8.280 nan 0.000 0.558 580 P HA 0.056 nan 4.420 nan 0.000 0.265 580 P C 0.687 178.047 177.300 0.101 0.000 1.193 580 P CA 1.341 64.505 63.100 0.107 0.000 0.765 580 P CB 0.461 32.210 31.700 0.082 0.000 0.823 581 G N 2.160 111.004 108.800 0.073 0.000 2.245 581 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.264 581 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.264 581 G C 1.133 176.079 174.900 0.077 0.000 0.985 581 G CA 0.540 45.676 45.100 0.059 0.000 0.625 581 G HN 0.595 nan 8.290 nan 0.000 0.536 582 E N 1.249 121.522 120.200 0.121 0.000 2.265 582 E HA -0.194 4.156 4.350 -0.001 0.000 0.196 582 E C 2.317 179.040 176.600 0.206 0.000 0.996 582 E CA 1.458 57.953 56.400 0.159 0.000 0.832 582 E CB -0.372 29.472 29.700 0.240 0.000 0.756 582 E HN 0.854 nan 8.360 nan 0.000 0.491 583 N N 0.384 119.179 118.700 0.159 0.000 2.091 583 N HA -0.247 4.493 4.740 -0.001 0.000 0.193 583 N C 1.862 177.457 175.510 0.141 0.000 1.021 583 N CA 1.710 54.849 53.050 0.149 0.000 0.862 583 N CB -0.550 37.980 38.487 0.073 0.000 1.018 583 N HN 0.204 nan 8.380 nan 0.000 0.429 584 L N -0.128 121.146 121.223 0.085 0.000 2.201 584 L HA -0.026 4.313 4.340 -0.001 0.000 0.212 584 L C 2.021 178.907 176.870 0.027 0.000 1.105 584 L CA 0.687 55.556 54.840 0.049 0.000 0.775 584 L CB -0.392 41.683 42.059 0.026 0.000 0.913 584 L HN 0.307 nan 8.230 nan 0.000 0.440 585 L N -1.172 120.051 121.223 0.001 0.000 2.478 585 L HA -0.106 4.233 4.340 -0.001 0.000 0.223 585 L C 2.008 178.736 176.870 -0.236 0.000 1.140 585 L CA 0.447 55.213 54.840 -0.123 0.000 0.842 585 L CB -0.559 41.394 42.059 -0.175 0.000 0.953 585 L HN 0.386 nan 8.230 nan 0.000 0.452 586 H N -0.375 118.703 119.070 0.014 0.000 2.551 586 H HA 0.271 4.827 4.556 -0.001 0.000 0.271 586 H C 0.651 175.984 175.328 0.008 0.000 0.984 586 H CA -0.165 55.890 56.048 0.012 0.000 1.164 586 H CB 0.561 30.331 29.762 0.013 0.000 1.437 586 H HN 0.228 nan 8.280 nan 0.000 0.550 587 L N 2.310 123.585 121.223 0.086 0.000 2.367 587 L HA 0.094 4.433 4.340 -0.001 0.000 0.275 587 L C 0.510 177.398 176.870 0.031 0.000 1.129 587 L CA 0.069 54.941 54.840 0.054 0.000 0.839 587 L CB 0.581 42.662 42.059 0.038 0.000 1.133 587 L HN -0.110 nan 8.230 nan 0.000 0.453 588 K N 0.000 120.418 120.400 0.029 0.000 2.780 588 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 588 K CA 0.000 56.298 56.287 0.018 0.000 0.838 588 K CB 0.000 32.512 32.500 0.020 0.000 1.064 588 K HN 0.000 nan 8.250 nan 0.000 0.543