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 1sq9_1_A DATA FIRST_RESID 3 DATA SEQUENCE KVFIATANAG KAHDADIFSV SACNSFTVSC SGDGYLKVWD NKLLDNENPK DATA SEQUENCE DKSYSHFVHK SGLHHVDVLQ AIERDAFELC LVATTSFSGD LLFYRITRED DATA SEQUENCE ETKKVIFEKL DLLDSDMKKH SFWALKWGAS NXXXXSHRLV ATDVKGTTYI DATA SEQUENCE WKFHPFADES NSLTLNWSPT LELQGTVESP MTPSQFATSV DISERGLIAT DATA SEQUENCE GFNNGTVQIS ELSTLRPLYN FESQHXXXNN SNSIRSVKFS PQGSLLAIAH DATA SEQUENCE DSNSFGCITL YETEFGERIG SLSVPXXXXX XXXGEFAHSS WVMSLSFNDS DATA SEQUENCE GETLCSAGWD GKLRFWDVKT KERITTLNMH CDDIEIEEDI LAVDEHGDSL DATA SEQUENCE AEPGVFDVKF LKKGWRSGMG ADLNESLCCV CLDRSIRWFR EAG 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.491 176.600 -0.181 0.000 0.988 3 K CA 0.000 56.203 56.287 -0.140 0.000 0.838 3 K CB 0.000 32.405 32.500 -0.158 0.000 1.064 4 V N -1.953 117.772 119.914 -0.315 0.000 3.141 4 V HA 0.805 4.925 4.120 -0.000 0.000 0.312 4 V C -1.376 174.398 176.094 -0.533 0.000 1.157 4 V CA -0.939 61.201 62.300 -0.267 0.000 1.041 4 V CB 1.581 33.322 31.823 -0.136 0.000 1.071 4 V HN 0.719 nan 8.190 nan 0.000 0.441 5 F N 1.754 121.532 119.950 -0.287 0.000 2.540 5 F HA 0.770 5.296 4.527 -0.000 0.000 0.317 5 F C -0.243 175.545 175.800 -0.020 0.000 1.104 5 F CA -0.623 57.248 58.000 -0.216 0.000 0.913 5 F CB 2.044 40.735 39.000 -0.516 0.000 1.170 5 F HN 0.684 nan 8.300 nan 0.000 0.450 6 I N 2.296 123.015 120.570 0.247 0.000 2.545 6 I HA 0.759 4.929 4.170 -0.000 0.000 0.292 6 I C -0.648 175.659 176.117 0.317 0.000 1.040 6 I CA -0.820 60.626 61.300 0.244 0.000 1.068 6 I CB 1.551 39.614 38.000 0.104 0.000 1.251 6 I HN 0.711 nan 8.210 nan 0.000 0.424 7 A N 4.069 127.053 122.820 0.274 0.000 2.511 7 A HA 0.346 4.666 4.320 -0.000 0.000 0.242 7 A C 0.893 178.453 177.584 -0.041 0.000 1.069 7 A CA 0.617 52.620 52.037 -0.056 0.000 0.763 7 A CB 0.074 19.012 19.000 -0.103 0.000 1.001 7 A HN 0.894 nan 8.150 nan 0.000 0.498 8 T N -1.130 113.371 114.554 -0.088 0.000 2.987 8 T HA 0.593 4.943 4.350 -0.000 0.000 0.248 8 T C 0.413 175.094 174.700 -0.032 0.000 0.997 8 T CA 0.739 62.827 62.100 -0.019 0.000 1.013 8 T CB 0.069 68.951 68.868 0.024 0.000 1.077 8 T HN 2.034 nan 8.240 nan 0.000 0.483 9 A N 1.457 124.262 122.820 -0.025 0.000 2.605 9 A HA 0.727 5.047 4.320 -0.000 0.000 0.294 9 A C -1.760 175.908 177.584 0.139 0.000 1.062 9 A CA -0.906 51.140 52.037 0.016 0.000 0.682 9 A CB 1.190 20.149 19.000 -0.069 0.000 1.278 9 A HN 0.617 nan 8.150 nan 0.000 0.410 10 N N -0.629 118.142 118.700 0.119 0.000 2.825 10 N HA 0.821 5.561 4.740 -0.000 0.000 0.253 10 N C -0.949 174.622 175.510 0.103 0.000 1.426 10 N CA -0.059 53.061 53.050 0.116 0.000 0.851 10 N CB 1.688 40.148 38.487 -0.045 0.000 1.470 10 N HN 1.650 nan 8.380 nan 0.000 0.517 11 A N -0.477 122.359 122.820 0.027 0.000 2.402 11 A HA 0.816 5.136 4.320 -0.000 0.000 0.291 11 A C -0.081 177.509 177.584 0.010 0.000 1.051 11 A CA -0.323 51.738 52.037 0.041 0.000 0.716 11 A CB 0.635 19.673 19.000 0.064 0.000 1.223 11 A HN 0.938 nan 8.150 nan 0.000 0.425 12 G N 0.349 109.170 108.800 0.035 0.000 2.477 12 G HA2 0.513 4.473 3.960 -0.000 0.000 0.304 12 G HA3 0.513 4.473 3.960 -0.000 0.000 0.304 12 G C 0.035 174.967 174.900 0.053 0.000 1.175 12 G CA -0.742 44.375 45.100 0.029 0.000 0.907 12 G HN 0.959 nan 8.290 nan 0.000 0.509 13 K N -0.870 119.560 120.400 0.050 0.000 3.177 13 K HA -0.250 4.070 4.320 -0.000 0.000 0.266 13 K C 1.517 178.167 176.600 0.084 0.000 0.937 13 K CA 0.305 56.626 56.287 0.058 0.000 0.702 13 K CB -1.126 31.395 32.500 0.036 0.000 1.365 13 K HN 0.606 nan 8.250 nan 0.000 0.466 14 A N 0.139 123.038 122.820 0.131 0.000 2.066 14 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 14 A C 0.672 178.315 177.584 0.098 0.000 1.157 14 A CA 0.970 53.135 52.037 0.213 0.000 0.670 14 A CB 0.028 19.188 19.000 0.267 0.000 0.804 14 A HN 0.502 nan 8.150 nan 0.000 0.453 15 H N -2.378 116.755 119.070 0.106 0.000 2.949 15 H HA 0.221 4.777 4.556 -0.000 0.000 0.356 15 H C -0.717 174.616 175.328 0.010 0.000 1.212 15 H CA -0.683 55.394 56.048 0.049 0.000 1.136 15 H CB 1.544 31.347 29.762 0.069 0.000 1.869 15 H HN 0.151 nan 8.280 nan 0.000 0.556 16 D N 0.117 120.589 120.400 0.121 0.000 2.339 16 D HA 0.302 4.942 4.640 -0.000 0.000 0.217 16 D C 0.309 176.659 176.300 0.082 0.000 1.050 16 D CA 0.384 54.422 54.000 0.063 0.000 0.856 16 D CB 0.745 41.548 40.800 0.005 0.000 0.922 16 D HN 0.506 nan 8.370 nan 0.000 0.518 17 A N -0.189 122.689 122.820 0.098 0.000 2.529 17 A HA 0.324 4.644 4.320 -0.000 0.000 0.296 17 A C -1.103 176.452 177.584 -0.049 0.000 1.205 17 A CA -0.781 51.286 52.037 0.051 0.000 0.671 17 A CB 0.856 19.909 19.000 0.088 0.000 1.301 17 A HN -0.151 nan 8.150 nan 0.000 0.450 18 D N 0.734 121.028 120.400 -0.177 0.000 2.583 18 D HA 0.120 4.759 4.640 -0.000 0.000 0.232 18 D C -0.413 175.435 176.300 -0.752 0.000 1.128 18 D CA 1.162 54.863 54.000 -0.498 0.000 0.859 18 D CB 0.448 40.625 40.800 -1.038 0.000 1.169 18 D HN 0.367 nan 8.370 nan 0.000 0.481 19 I N 2.869 123.117 120.570 -0.538 0.000 2.310 19 I HA 0.048 4.218 4.170 -0.000 0.000 0.287 19 I C 0.724 176.525 176.117 -0.527 0.000 1.073 19 I CA -0.544 60.490 61.300 -0.445 0.000 1.216 19 I CB 0.205 38.117 38.000 -0.146 0.000 1.415 19 I HN 0.241 nan 8.210 nan 0.000 0.480 20 F N 2.412 122.108 119.950 -0.423 0.000 2.512 20 F HA 0.073 4.599 4.527 -0.000 0.000 0.296 20 F C 1.372 177.004 175.800 -0.281 0.000 1.110 20 F CA 0.331 58.009 58.000 -0.537 0.000 1.446 20 F CB 0.119 38.854 39.000 -0.441 0.000 1.092 20 F HN 0.396 nan 8.300 nan 0.000 0.554 21 S N -0.888 114.789 115.700 -0.038 0.000 2.550 21 S HA 0.703 5.173 4.470 -0.000 0.000 0.270 21 S C -1.655 172.953 174.600 0.013 0.000 1.145 21 S CA -0.663 57.511 58.200 -0.043 0.000 0.852 21 S CB 1.516 64.632 63.200 -0.139 0.000 1.119 21 S HN -0.159 nan 8.310 nan 0.000 0.465 22 V N 2.348 122.288 119.914 0.045 0.000 2.932 22 V HA 0.895 5.015 4.120 -0.000 0.000 0.307 22 V C -0.531 175.641 176.094 0.130 0.000 1.147 22 V CA 0.106 62.461 62.300 0.092 0.000 0.951 22 V CB 1.964 33.806 31.823 0.033 0.000 1.031 22 V HN 1.012 nan 8.190 nan 0.000 0.426 23 S N 3.697 119.514 115.700 0.194 0.000 2.840 23 S HA 1.042 5.512 4.470 -0.000 0.000 0.307 23 S C -0.764 173.999 174.600 0.271 0.000 1.180 23 S CA 0.140 58.473 58.200 0.221 0.000 0.846 23 S CB 1.956 65.281 63.200 0.209 0.000 1.233 23 S HN 2.224 nan 8.310 nan 0.000 0.548 24 A N -0.236 122.733 122.820 0.249 0.000 2.586 24 A HA 0.730 5.050 4.320 -0.000 0.000 0.291 24 A C -0.647 176.839 177.584 -0.164 0.000 1.062 24 A CA -0.226 51.910 52.037 0.164 0.000 0.666 24 A CB 0.271 19.502 19.000 0.385 0.000 1.281 24 A HN 1.903 nan 8.150 nan 0.000 0.421 25 C N -0.533 118.319 119.300 -0.747 0.000 3.336 25 C HA 0.760 5.219 4.460 -0.000 0.000 0.352 25 C C 1.419 175.279 174.990 -1.884 0.000 1.567 25 C CA -0.077 58.074 59.018 -1.444 0.000 1.328 25 C CB 0.728 27.857 27.740 -1.019 0.000 1.922 25 C HN 1.186 nan 8.230 nan 0.000 0.439 26 N N 1.231 118.788 118.700 -1.906 0.000 2.036 26 N HA -0.193 4.547 4.740 -0.000 0.000 0.195 26 N C 1.846 176.970 175.510 -0.643 0.000 1.037 26 N CA 2.602 54.809 53.050 -1.403 0.000 0.855 26 N CB -0.190 37.906 38.487 -0.652 0.000 1.033 26 N HN 0.788 nan 8.380 nan 0.000 0.423 27 S N -1.875 113.485 115.700 -0.566 0.000 2.402 27 S HA 0.054 4.524 4.470 -0.000 0.000 0.229 27 S C 0.067 174.619 174.600 -0.080 0.000 1.021 27 S CA 1.010 59.048 58.200 -0.270 0.000 0.974 27 S CB -0.448 62.641 63.200 -0.184 0.000 0.800 27 S HN 0.414 nan 8.310 nan 0.000 0.484 28 F N -1.882 117.987 119.950 -0.135 0.000 2.773 28 F HA 0.629 5.155 4.527 -0.000 0.000 0.314 28 F C -0.906 174.965 175.800 0.117 0.000 1.160 28 F CA -1.207 56.807 58.000 0.023 0.000 0.920 28 F CB 0.896 39.923 39.000 0.045 0.000 1.323 28 F HN -0.392 nan 8.300 nan 0.000 0.457 29 T N 1.813 116.767 114.554 0.667 0.000 2.875 29 T HA 0.629 4.979 4.350 -0.000 0.000 0.284 29 T C -1.227 173.977 174.700 0.840 0.000 0.995 29 T CA -0.598 61.911 62.100 0.683 0.000 1.060 29 T CB 1.607 70.980 68.868 0.842 0.000 0.967 29 T HN 0.795 nan 8.240 nan 0.000 0.476 30 V N 3.505 123.812 119.914 0.655 0.000 2.638 30 V HA 0.772 4.892 4.120 -0.000 0.000 0.306 30 V C -0.588 175.780 176.094 0.456 0.000 1.052 30 V CA -0.460 62.185 62.300 0.574 0.000 0.885 30 V CB 1.929 34.053 31.823 0.502 0.000 0.999 30 V HN 1.068 nan 8.190 nan 0.000 0.424 31 S N 5.856 121.868 115.700 0.520 0.000 2.600 31 S HA 0.892 5.361 4.470 -0.000 0.000 0.300 31 S C -0.336 174.432 174.600 0.279 0.000 1.087 31 S CA -0.383 58.052 58.200 0.392 0.000 0.965 31 S CB 1.553 65.081 63.200 0.546 0.000 1.089 31 S HN 1.695 nan 8.310 nan 0.000 0.496 32 C N -0.347 118.979 119.300 0.043 0.000 2.994 32 C HA 0.972 5.432 4.460 -0.000 0.000 0.304 32 C C -0.235 174.601 174.990 -0.256 0.000 1.273 32 C CA -0.525 58.467 59.018 -0.045 0.000 1.537 32 C CB 0.950 28.672 27.740 -0.030 0.000 2.001 32 C HN 1.071 nan 8.230 nan 0.000 0.471 33 S N -0.453 115.140 115.700 -0.178 0.000 2.618 33 S HA 0.680 5.150 4.470 -0.000 0.000 0.277 33 S C 0.848 175.542 174.600 0.158 0.000 1.138 33 S CA 0.360 58.458 58.200 -0.171 0.000 0.844 33 S CB 1.371 64.347 63.200 -0.373 0.000 1.127 33 S HN 1.898 nan 8.310 nan 0.000 0.474 34 G N 0.939 109.878 108.800 0.232 0.000 2.625 34 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.214 34 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.214 34 G C 0.668 175.751 174.900 0.304 0.000 1.132 34 G CA 0.972 46.344 45.100 0.453 0.000 0.782 34 G HN 0.858 nan 8.290 nan 0.000 0.538 35 D N -0.943 119.618 120.400 0.268 0.000 2.349 35 D HA 0.193 4.833 4.640 -0.000 0.000 0.224 35 D C 1.709 178.261 176.300 0.420 0.000 1.029 35 D CA 0.592 54.792 54.000 0.334 0.000 0.879 35 D CB -0.435 40.564 40.800 0.332 0.000 0.906 35 D HN 0.404 nan 8.370 nan 0.000 0.528 36 G N -1.007 107.961 108.800 0.280 0.000 2.176 36 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.232 36 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.232 36 G C -0.377 174.386 174.900 -0.228 0.000 0.986 36 G CA -0.013 45.094 45.100 0.011 0.000 0.643 36 G HN 0.339 nan 8.290 nan 0.000 0.522 37 Y N -0.412 119.911 120.300 0.038 0.000 2.487 37 Y HA 0.765 5.315 4.550 -0.000 0.000 0.337 37 Y C 0.790 176.726 175.900 0.060 0.000 1.076 37 Y CA -1.097 57.012 58.100 0.016 0.000 1.115 37 Y CB 1.363 39.889 38.460 0.109 0.000 1.235 37 Y HN 0.108 nan 8.280 nan 0.000 0.468 38 L N 2.553 123.846 121.223 0.116 0.000 2.334 38 L HA 0.561 4.901 4.340 -0.000 0.000 0.275 38 L C -0.594 176.379 176.870 0.171 0.000 1.036 38 L CA -0.794 54.129 54.840 0.138 0.000 0.807 38 L CB 1.444 43.497 42.059 -0.010 0.000 1.231 38 L HN 0.521 nan 8.230 nan 0.000 0.438 39 K N 1.736 122.276 120.400 0.234 0.000 2.443 39 K HA 0.558 4.878 4.320 -0.000 0.000 0.252 39 K C -1.516 175.048 176.600 -0.060 0.000 0.933 39 K CA -0.652 55.607 56.287 -0.046 0.000 0.792 39 K CB 2.762 35.074 32.500 -0.313 0.000 1.185 39 K HN 0.196 nan 8.250 nan 0.000 0.425 40 V N 3.108 122.909 119.914 -0.187 0.000 2.398 40 V HA 0.383 4.503 4.120 -0.000 0.000 0.286 40 V C -1.264 174.675 176.094 -0.259 0.000 1.026 40 V CA -0.659 61.530 62.300 -0.186 0.000 0.868 40 V CB 0.738 32.299 31.823 -0.437 0.000 0.982 40 V HN 0.659 nan 8.190 nan 0.000 0.443 41 W N 2.729 124.147 121.300 0.197 0.000 2.411 41 W HA 0.429 5.089 4.660 -0.000 0.000 0.317 41 W C 0.065 176.693 176.519 0.182 0.000 1.030 41 W CA -0.816 56.644 57.345 0.191 0.000 1.239 41 W CB 0.668 30.334 29.460 0.343 0.000 1.304 41 W HN 0.460 nan 8.180 nan 0.000 0.437 42 D N 2.267 122.838 120.400 0.285 0.000 2.493 42 D HA -0.086 4.554 4.640 -0.000 0.000 0.240 42 D C 0.861 177.233 176.300 0.121 0.000 1.142 42 D CA 0.819 54.948 54.000 0.215 0.000 0.872 42 D CB 0.785 41.682 40.800 0.161 0.000 1.173 42 D HN 0.309 nan 8.370 nan 0.000 0.467 43 N N 2.431 121.199 118.700 0.114 0.000 2.424 43 N HA -0.042 4.698 4.740 -0.000 0.000 0.178 43 N C -0.217 175.289 175.510 -0.005 0.000 1.060 43 N CA 0.379 53.446 53.050 0.027 0.000 0.901 43 N CB 0.309 38.844 38.487 0.080 0.000 0.979 43 N HN 0.285 nan 8.380 nan 0.000 0.451 44 K N 1.410 121.819 120.400 0.016 0.000 2.184 44 K HA 0.198 4.518 4.320 -0.000 0.000 0.259 44 K C -0.548 176.046 176.600 -0.011 0.000 1.119 44 K CA -0.378 55.914 56.287 0.008 0.000 0.991 44 K CB 0.213 32.723 32.500 0.018 0.000 1.522 44 K HN -0.020 nan 8.250 nan 0.000 0.405 45 L N 3.469 124.667 121.223 -0.042 0.000 2.313 45 L HA 0.323 4.663 4.340 -0.000 0.000 0.283 45 L C -0.635 176.210 176.870 -0.041 0.000 1.013 45 L CA -0.940 53.865 54.840 -0.058 0.000 0.816 45 L CB 1.032 43.014 42.059 -0.128 0.000 1.236 45 L HN 0.305 nan 8.230 nan 0.000 0.419 46 L N 3.850 125.056 121.223 -0.027 0.000 2.439 46 L HA 0.167 4.507 4.340 -0.000 0.000 0.269 46 L C 0.226 177.082 176.870 -0.024 0.000 1.179 46 L CA 0.124 54.953 54.840 -0.018 0.000 0.828 46 L CB -0.065 41.987 42.059 -0.011 0.000 1.106 46 L HN 0.535 nan 8.230 nan 0.000 0.467 47 D N 3.500 123.890 120.400 -0.017 0.000 2.571 47 D HA -0.093 4.547 4.640 -0.000 0.000 0.231 47 D C 0.726 177.016 176.300 -0.016 0.000 1.133 47 D CA 0.498 54.488 54.000 -0.016 0.000 0.862 47 D CB 0.171 40.965 40.800 -0.009 0.000 1.179 47 D HN 0.547 nan 8.370 nan 0.000 0.474 48 N N 0.495 119.184 118.700 -0.019 0.000 2.815 48 N HA -0.225 4.515 4.740 -0.000 0.000 0.247 48 N C 0.035 175.535 175.510 -0.016 0.000 1.030 48 N CA 0.918 53.959 53.050 -0.015 0.000 0.881 48 N CB -0.881 37.600 38.487 -0.009 0.000 1.134 48 N HN 0.648 nan 8.380 nan 0.000 0.582 49 E N 0.918 121.104 120.200 -0.023 0.000 2.354 49 E HA 0.132 4.482 4.350 -0.000 0.000 0.269 49 E C 0.203 176.789 176.600 -0.023 0.000 1.036 49 E CA -0.498 55.889 56.400 -0.022 0.000 0.876 49 E CB 0.523 30.208 29.700 -0.025 0.000 1.009 49 E HN 0.079 nan 8.360 nan 0.000 0.416 50 N N 4.742 123.436 118.700 -0.010 0.000 2.405 50 N HA 0.050 4.790 4.740 -0.000 0.000 0.260 50 N C -2.058 173.466 175.510 0.024 0.000 1.152 50 N CA -1.779 51.276 53.050 0.008 0.000 0.948 50 N CB 1.081 39.576 38.487 0.014 0.000 1.111 50 N HN 0.271 nan 8.380 nan 0.000 0.485 51 P HA -0.199 nan 4.420 nan 0.000 0.217 51 P C 0.813 178.274 177.300 0.268 0.000 1.151 51 P CA 1.684 64.847 63.100 0.106 0.000 0.849 51 P CB 0.314 32.061 31.700 0.078 0.000 0.787 52 K N -0.826 119.726 120.400 0.254 0.000 2.147 52 K HA -0.157 4.162 4.320 -0.000 0.000 0.205 52 K C 1.581 178.148 176.600 -0.056 0.000 1.049 52 K CA 1.443 57.825 56.287 0.158 0.000 0.936 52 K CB -0.596 31.976 32.500 0.120 0.000 0.722 52 K HN 0.164 nan 8.250 nan 0.000 0.446 53 D N 0.994 121.370 120.400 -0.040 0.000 2.149 53 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 53 D C 0.482 176.677 176.300 -0.175 0.000 0.990 53 D CA 1.379 55.326 54.000 -0.088 0.000 0.839 53 D CB 0.080 40.854 40.800 -0.044 0.000 0.948 53 D HN 0.100 nan 8.370 nan 0.000 0.460 54 K N 0.485 120.788 120.400 -0.162 0.000 3.045 54 K HA 0.236 4.556 4.320 -0.000 0.000 0.214 54 K C -0.481 175.848 176.600 -0.452 0.000 1.213 54 K CA -0.227 55.912 56.287 -0.246 0.000 1.111 54 K CB 0.764 33.244 32.500 -0.034 0.000 1.454 54 K HN 0.019 nan 8.250 nan 0.000 0.498 55 S N -0.255 114.963 115.700 -0.803 0.000 2.542 55 S HA 0.595 5.065 4.470 -0.000 0.000 0.293 55 S C -0.959 172.904 174.600 -1.229 0.000 1.089 55 S CA -0.797 56.825 58.200 -0.964 0.000 0.961 55 S CB 0.910 63.435 63.200 -1.125 0.000 1.062 55 S HN 0.205 nan 8.310 nan 0.000 0.483 56 Y N 0.147 120.230 120.300 -0.362 0.000 2.406 56 Y HA 0.682 5.232 4.550 -0.000 0.000 0.340 56 Y C 0.340 176.170 175.900 -0.117 0.000 0.975 56 Y CA -0.786 57.226 58.100 -0.147 0.000 1.056 56 Y CB 2.279 40.733 38.460 -0.009 0.000 1.210 56 Y HN 0.772 nan 8.280 nan 0.000 0.448 57 S N 1.594 117.290 115.700 -0.006 0.000 2.565 57 S HA 0.571 5.041 4.470 -0.000 0.000 0.290 57 S C -1.721 172.797 174.600 -0.136 0.000 1.150 57 S CA -0.312 57.845 58.200 -0.073 0.000 1.058 57 S CB 0.494 63.623 63.200 -0.118 0.000 1.032 57 S HN 0.751 nan 8.310 nan 0.000 0.510 58 H N 2.267 121.111 119.070 -0.377 0.000 3.017 58 H HA 0.385 4.941 4.556 -0.000 0.000 0.340 58 H C -1.379 173.698 175.328 -0.418 0.000 1.014 58 H CA -0.562 55.099 56.048 -0.645 0.000 1.341 58 H CB 0.634 29.317 29.762 -1.798 0.000 1.739 58 H HN 0.568 nan 8.280 nan 0.000 0.506 59 F N 5.601 125.034 119.950 -0.862 0.000 2.495 59 F HA 0.287 4.814 4.527 -0.000 0.000 0.365 59 F C -0.305 175.112 175.800 -0.638 0.000 1.090 59 F CA 0.232 57.603 58.000 -1.049 0.000 1.235 59 F CB 0.539 38.967 39.000 -0.955 0.000 1.119 59 F HN 0.395 nan 8.300 nan 0.000 0.562 60 V N 4.112 123.198 119.914 -1.380 0.000 2.950 60 V HA 0.139 4.259 4.120 -0.000 0.000 0.231 60 V C -0.400 175.187 176.094 -0.845 0.000 1.205 60 V CA 0.212 62.054 62.300 -0.764 0.000 1.239 60 V CB -0.062 31.535 31.823 -0.377 0.000 1.050 60 V HN 0.756 nan 8.190 nan 0.000 0.498 61 H N 0.612 119.016 119.070 -1.109 0.000 3.087 61 H HA 0.233 4.789 4.556 -0.000 0.000 0.348 61 H C 0.371 175.524 175.328 -0.291 0.000 1.092 61 H CA -0.108 55.606 56.048 -0.556 0.000 1.285 61 H CB 2.192 31.820 29.762 -0.223 0.000 1.875 61 H HN 0.267 nan 8.280 nan 0.000 0.512 62 K N 1.307 121.613 120.400 -0.157 0.000 2.281 62 K HA -0.118 4.202 4.320 -0.000 0.000 0.203 62 K C 1.148 177.893 176.600 0.242 0.000 1.046 62 K CA 1.917 58.313 56.287 0.182 0.000 0.938 62 K CB 0.064 32.632 32.500 0.114 0.000 0.737 62 K HN 0.305 nan 8.250 nan 0.000 0.458 63 S N -0.035 115.928 115.700 0.437 0.000 2.515 63 S HA 0.168 4.638 4.470 -0.000 0.000 0.231 63 S C 0.919 175.779 174.600 0.433 0.000 0.987 63 S CA -0.033 58.415 58.200 0.412 0.000 0.936 63 S CB -0.494 62.969 63.200 0.440 0.000 0.766 63 S HN 0.757 nan 8.310 nan 0.000 0.528 64 G N 0.199 109.223 108.800 0.372 0.000 2.662 64 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.686 64 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.686 64 G C -1.132 173.945 174.900 0.295 0.000 1.271 64 G CA -0.632 44.713 45.100 0.408 0.000 0.816 64 G HN 0.501 nan 8.290 nan 0.000 0.608 65 L N 0.767 122.085 121.223 0.158 0.000 2.365 65 L HA 0.658 4.997 4.340 -0.000 0.000 0.273 65 L C 0.981 177.722 176.870 -0.214 0.000 1.000 65 L CA -0.882 53.849 54.840 -0.181 0.000 0.819 65 L CB 2.246 44.214 42.059 -0.152 0.000 1.284 65 L HN 0.996 nan 8.230 nan 0.000 0.418 66 H N -1.433 117.311 119.070 -0.543 0.000 3.058 66 H HA 0.351 4.907 4.556 -0.000 0.000 0.258 66 H C -0.412 174.518 175.328 -0.663 0.000 1.015 66 H CA -0.329 55.286 56.048 -0.721 0.000 1.210 66 H CB 0.332 29.244 29.762 -1.416 0.000 1.481 66 H HN 0.504 nan 8.280 nan 0.000 0.492 67 H N -0.108 118.611 119.070 -0.585 0.000 2.771 67 H HA 0.602 5.158 4.556 -0.000 0.000 0.361 67 H C -1.584 173.570 175.328 -0.289 0.000 1.108 67 H CA -0.895 54.933 56.048 -0.366 0.000 1.201 67 H CB 2.941 32.460 29.762 -0.405 0.000 1.681 67 H HN 0.165 nan 8.280 nan 0.000 0.534 68 V N 2.382 122.272 119.914 -0.041 0.000 2.888 68 V HA 0.546 4.666 4.120 -0.000 0.000 0.309 68 V C -1.535 174.597 176.094 0.064 0.000 1.114 68 V CA -0.374 61.923 62.300 -0.006 0.000 0.940 68 V CB 2.255 34.102 31.823 0.041 0.000 1.021 68 V HN 0.915 nan 8.190 nan 0.000 0.426 69 D N 2.859 123.318 120.400 0.099 0.000 2.661 69 D HA 0.615 5.255 4.640 -0.000 0.000 0.228 69 D C -1.799 174.727 176.300 0.377 0.000 1.210 69 D CA -0.103 54.026 54.000 0.216 0.000 0.826 69 D CB 2.548 43.453 40.800 0.175 0.000 1.542 69 D HN 0.574 nan 8.370 nan 0.000 0.447 70 V N 2.911 123.020 119.914 0.325 0.000 2.735 70 V HA 0.698 4.818 4.120 -0.000 0.000 0.310 70 V C -1.459 174.516 176.094 -0.198 0.000 1.061 70 V CA -0.758 61.619 62.300 0.128 0.000 0.913 70 V CB 1.714 33.562 31.823 0.041 0.000 1.005 70 V HN 0.549 nan 8.190 nan 0.000 0.428 71 L N 5.654 126.465 121.223 -0.685 0.000 2.305 71 L HA 0.642 4.982 4.340 -0.000 0.000 0.284 71 L C -0.426 176.055 176.870 -0.648 0.000 1.013 71 L CA 0.220 54.483 54.840 -0.961 0.000 0.819 71 L CB 1.546 42.465 42.059 -1.900 0.000 1.227 71 L HN 0.840 nan 8.230 nan 0.000 0.417 72 Q N 4.548 124.052 119.800 -0.493 0.000 2.456 72 Q HA 0.740 5.080 4.340 -0.000 0.000 0.252 72 Q C -1.138 174.688 176.000 -0.290 0.000 1.042 72 Q CA -0.500 55.060 55.803 -0.406 0.000 0.766 72 Q CB 1.358 29.825 28.738 -0.451 0.000 1.196 72 Q HN 0.880 nan 8.270 nan 0.000 0.504 73 A N 4.580 127.253 122.820 -0.245 0.000 2.310 73 A HA 0.610 4.930 4.320 -0.000 0.000 0.299 73 A C -0.547 177.074 177.584 0.061 0.000 1.147 73 A CA -0.577 51.440 52.037 -0.033 0.000 0.818 73 A CB 0.481 19.565 19.000 0.139 0.000 1.096 73 A HN 0.845 nan 8.150 nan 0.000 0.495 74 I N 1.657 122.314 120.570 0.145 0.000 2.359 74 I HA 0.298 4.467 4.170 -0.000 0.000 0.284 74 I C -0.265 176.001 176.117 0.248 0.000 1.018 74 I CA -0.185 61.217 61.300 0.170 0.000 1.173 74 I CB 1.456 39.532 38.000 0.126 0.000 1.326 74 I HN 0.699 nan 8.210 nan 0.000 0.462 75 E N 6.392 126.810 120.200 0.363 0.000 2.114 75 E HA 0.414 4.764 4.350 -0.000 0.000 0.266 75 E C 0.121 176.897 176.600 0.294 0.000 0.896 75 E CA -0.536 56.086 56.400 0.370 0.000 0.750 75 E CB 0.632 30.668 29.700 0.559 0.000 1.121 75 E HN 0.404 nan 8.360 nan 0.000 0.413 76 R N 3.830 124.437 120.500 0.179 0.000 3.776 76 R HA -0.175 4.165 4.340 -0.000 0.000 0.312 76 R C -0.936 175.446 176.300 0.137 0.000 1.181 76 R CA 0.861 57.027 56.100 0.110 0.000 0.836 76 R CB -1.590 28.726 30.300 0.027 0.000 1.324 76 R HN 0.897 nan 8.270 nan 0.000 0.501 77 D N -2.214 118.281 120.400 0.159 0.000 2.737 77 D HA -0.247 4.392 4.640 -0.000 0.000 0.238 77 D C 0.411 176.821 176.300 0.184 0.000 1.157 77 D CA 1.417 55.505 54.000 0.146 0.000 0.694 77 D CB -1.100 39.761 40.800 0.102 0.000 1.021 77 D HN 0.737 nan 8.370 nan 0.000 0.420 78 A N -0.616 122.360 122.820 0.260 0.000 2.415 78 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 78 A C -0.340 177.478 177.584 0.390 0.000 2.885 78 A CA -0.411 51.807 52.037 0.302 0.000 1.556 78 A CB -0.035 19.183 19.000 0.364 0.000 0.194 78 A HN 0.114 nan 8.150 nan 0.000 0.541 79 F N 2.168 122.245 119.950 0.212 0.000 2.403 79 F HA 0.463 4.990 4.527 -0.000 0.000 0.355 79 F C 0.344 176.331 175.800 0.312 0.000 1.119 79 F CA -0.978 57.237 58.000 0.358 0.000 1.007 79 F CB 1.439 40.784 39.000 0.574 0.000 1.194 79 F HN 0.273 nan 8.300 nan 0.000 0.443 80 E N 5.152 125.365 120.200 0.022 0.000 2.299 80 E HA 0.152 4.502 4.350 -0.000 0.000 0.272 80 E C -1.332 175.002 176.600 -0.442 0.000 1.043 80 E CA -0.137 56.169 56.400 -0.157 0.000 0.895 80 E CB 0.765 30.337 29.700 -0.212 0.000 1.011 80 E HN 0.513 nan 8.360 nan 0.000 0.432 81 L N 7.577 128.530 121.223 -0.449 0.000 2.388 81 L HA 0.348 4.687 4.340 -0.000 0.000 0.267 81 L C -1.639 174.984 176.870 -0.412 0.000 0.995 81 L CA -0.506 53.939 54.840 -0.657 0.000 0.864 81 L CB 0.886 42.587 42.059 -0.596 0.000 1.216 81 L HN 0.690 nan 8.230 nan 0.000 0.430 82 C N 6.866 125.944 119.300 -0.369 0.000 2.293 82 C HA 0.657 5.117 4.460 -0.000 0.000 0.323 82 C C -0.658 174.196 174.990 -0.227 0.000 1.240 82 C CA -0.584 58.261 59.018 -0.288 0.000 1.497 82 C CB 0.576 28.214 27.740 -0.170 0.000 2.171 82 C HN 0.743 nan 8.230 nan 0.000 0.465 83 L N 7.460 128.498 121.223 -0.309 0.000 2.349 83 L HA 0.692 5.032 4.340 -0.000 0.000 0.278 83 L C -0.596 176.267 176.870 -0.012 0.000 0.996 83 L CA -0.061 54.655 54.840 -0.207 0.000 0.825 83 L CB 1.772 43.558 42.059 -0.456 0.000 1.243 83 L HN 0.523 nan 8.230 nan 0.000 0.412 84 V N 4.818 124.844 119.914 0.185 0.000 2.439 84 V HA 0.810 4.930 4.120 -0.000 0.000 0.282 84 V C 0.349 176.623 176.094 0.299 0.000 1.039 84 V CA -0.283 62.190 62.300 0.288 0.000 0.913 84 V CB 1.235 33.222 31.823 0.273 0.000 0.983 84 V HN 0.942 nan 8.190 nan 0.000 0.460 85 A N 3.676 126.639 122.820 0.238 0.000 2.330 85 A HA 0.849 5.169 4.320 -0.000 0.000 0.327 85 A C -0.217 177.221 177.584 -0.245 0.000 1.155 85 A CA -0.493 51.416 52.037 -0.212 0.000 0.803 85 A CB 1.800 20.522 19.000 -0.463 0.000 1.208 85 A HN 0.745 nan 8.150 nan 0.000 0.477 86 T N 0.773 115.106 114.554 -0.367 0.000 2.956 86 T HA 0.677 5.027 4.350 -0.000 0.000 0.312 86 T C -0.576 173.877 174.700 -0.411 0.000 1.151 86 T CA 0.084 62.006 62.100 -0.296 0.000 1.024 86 T CB 1.241 70.017 68.868 -0.153 0.000 1.140 86 T HN 1.174 nan 8.240 nan 0.000 0.473 87 T N 1.074 115.335 114.554 -0.489 0.000 2.855 87 T HA 0.755 5.105 4.350 -0.000 0.000 0.281 87 T C 0.208 174.394 174.700 -0.858 0.000 1.007 87 T CA -0.750 61.002 62.100 -0.580 0.000 1.009 87 T CB 1.347 69.913 68.868 -0.504 0.000 0.983 87 T HN 0.728 nan 8.240 nan 0.000 0.455 88 S N 1.455 116.829 115.700 -0.543 0.000 2.690 88 S HA 0.545 5.015 4.470 -0.000 0.000 0.291 88 S C 0.396 174.901 174.600 -0.159 0.000 1.138 88 S CA -0.920 57.035 58.200 -0.409 0.000 1.013 88 S CB 0.559 63.553 63.200 -0.343 0.000 1.053 88 S HN 0.488 nan 8.310 nan 0.000 0.539 89 F N 1.465 121.502 119.950 0.146 0.000 2.365 89 F HA -0.022 4.505 4.527 -0.000 0.000 0.300 89 F C 2.833 178.724 175.800 0.152 0.000 1.090 89 F CA 1.315 59.481 58.000 0.278 0.000 1.408 89 F CB -0.451 38.673 39.000 0.207 0.000 1.060 89 F HN 0.774 nan 8.300 nan 0.000 0.534 90 S N -0.837 114.957 115.700 0.156 0.000 2.555 90 S HA 0.191 4.661 4.470 -0.000 0.000 0.230 90 S C 1.914 176.532 174.600 0.029 0.000 0.978 90 S CA 0.614 58.843 58.200 0.048 0.000 0.934 90 S CB -0.391 62.723 63.200 -0.143 0.000 0.766 90 S HN 0.578 nan 8.310 nan 0.000 0.533 91 G N 0.675 109.515 108.800 0.066 0.000 2.176 91 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.232 91 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.232 91 G C -0.372 174.584 174.900 0.093 0.000 0.986 91 G CA 0.033 45.195 45.100 0.103 0.000 0.643 91 G HN 0.563 nan 8.290 nan 0.000 0.522 92 D N 0.123 120.498 120.400 -0.042 0.000 2.341 92 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 92 D C -0.086 176.164 176.300 -0.083 0.000 1.106 92 D CA 0.090 54.067 54.000 -0.039 0.000 0.905 92 D CB 1.988 42.680 40.800 -0.180 0.000 1.202 92 D HN 0.239 nan 8.370 nan 0.000 0.426 93 L N 3.880 125.033 121.223 -0.117 0.000 2.318 93 L HA 0.280 4.620 4.340 -0.000 0.000 0.277 93 L C -1.613 174.927 176.870 -0.550 0.000 1.008 93 L CA -0.560 54.014 54.840 -0.443 0.000 0.846 93 L CB 0.819 42.439 42.059 -0.732 0.000 1.220 93 L HN 0.120 nan 8.230 nan 0.000 0.423 94 L N 4.989 125.854 121.223 -0.597 0.000 2.334 94 L HA 0.588 4.928 4.340 -0.000 0.000 0.272 94 L C -0.664 175.728 176.870 -0.797 0.000 1.020 94 L CA -0.239 54.304 54.840 -0.494 0.000 0.812 94 L CB 1.393 43.362 42.059 -0.150 0.000 1.264 94 L HN 0.442 nan 8.230 nan 0.000 0.439 95 F N 1.352 121.094 119.950 -0.347 0.000 2.540 95 F HA 0.583 5.109 4.527 -0.000 0.000 0.317 95 F C -0.664 174.809 175.800 -0.545 0.000 1.104 95 F CA -0.601 57.239 58.000 -0.267 0.000 0.913 95 F CB 1.733 40.619 39.000 -0.190 0.000 1.170 95 F HN 0.174 nan 8.300 nan 0.000 0.450 96 Y N 1.340 121.737 120.300 0.163 0.000 2.386 96 Y HA 0.433 4.983 4.550 -0.000 0.000 0.334 96 Y C -0.185 175.734 175.900 0.032 0.000 1.002 96 Y CA -1.086 57.069 58.100 0.091 0.000 1.068 96 Y CB 1.973 40.494 38.460 0.101 0.000 1.203 96 Y HN 0.466 nan 8.280 nan 0.000 0.443 97 R N 4.096 124.652 120.500 0.094 0.000 2.308 97 R HA 0.481 4.821 4.340 -0.000 0.000 0.305 97 R C -1.197 175.043 176.300 -0.100 0.000 1.053 97 R CA -0.425 55.657 56.100 -0.030 0.000 0.957 97 R CB 0.460 30.717 30.300 -0.073 0.000 1.022 97 R HN 0.593 nan 8.270 nan 0.000 0.461 98 I N 5.101 125.566 120.570 -0.175 0.000 2.321 98 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 98 I C 0.472 176.422 176.117 -0.279 0.000 0.998 98 I CA -0.228 60.871 61.300 -0.334 0.000 1.227 98 I CB 0.900 38.710 38.000 -0.318 0.000 1.368 98 I HN 0.754 nan 8.210 nan 0.000 0.466 99 T N 4.598 118.965 114.554 -0.312 0.000 2.864 99 T HA 0.739 5.089 4.350 -0.000 0.000 0.289 99 T C -0.188 174.348 174.700 -0.272 0.000 1.082 99 T CA -1.107 60.846 62.100 -0.246 0.000 1.009 99 T CB 2.533 71.290 68.868 -0.186 0.000 1.234 99 T HN 0.516 nan 8.240 nan 0.000 0.526 100 R N 0.326 120.696 120.500 -0.216 0.000 2.670 100 R HA 0.488 4.828 4.340 -0.000 0.000 0.289 100 R C -0.557 175.649 176.300 -0.158 0.000 0.965 100 R CA -0.880 55.087 56.100 -0.222 0.000 0.899 100 R CB 2.085 32.269 30.300 -0.195 0.000 1.173 100 R HN 0.812 nan 8.270 nan 0.000 0.456 101 E N 2.227 122.337 120.200 -0.150 0.000 2.452 101 E HA -0.121 4.228 4.350 -0.000 0.000 0.261 101 E C 0.251 176.808 176.600 -0.071 0.000 0.987 101 E CA 0.038 56.382 56.400 -0.094 0.000 0.926 101 E CB 0.485 30.137 29.700 -0.080 0.000 0.934 101 E HN 0.450 nan 8.360 nan 0.000 0.452 102 D N 3.341 123.712 120.400 -0.049 0.000 5.512 102 D HA -0.276 4.363 4.640 -0.000 0.000 0.218 102 D C 0.533 176.812 176.300 -0.036 0.000 1.637 102 D CA 1.693 55.672 54.000 -0.035 0.000 0.824 102 D CB 0.207 40.996 40.800 -0.018 0.000 0.855 102 D HN 0.439 nan 8.370 nan 0.000 0.741 103 E N -2.251 117.930 120.200 -0.033 0.000 3.601 103 E HA 0.103 4.453 4.350 -0.000 0.000 0.142 103 E C -0.160 176.426 176.600 -0.023 0.000 0.966 103 E CA 0.055 56.439 56.400 -0.028 0.000 1.527 103 E CB 0.044 29.734 29.700 -0.017 0.000 1.089 103 E HN 0.055 nan 8.360 nan 0.000 0.383 104 T N -0.461 114.073 114.554 -0.032 0.000 2.990 104 T HA 0.074 4.424 4.350 -0.000 0.000 0.250 104 T C 0.862 175.545 174.700 -0.028 0.000 1.041 104 T CA -0.011 62.075 62.100 -0.022 0.000 1.010 104 T CB 0.514 69.367 68.868 -0.026 0.000 1.003 104 T HN -0.034 nan 8.240 nan 0.000 0.499 105 K N 0.118 120.481 120.400 -0.061 0.000 3.584 105 K HA -0.152 4.168 4.320 -0.000 0.000 0.300 105 K C 0.329 176.814 176.600 -0.191 0.000 1.285 105 K CA 0.928 57.166 56.287 -0.083 0.000 1.008 105 K CB -1.181 31.312 32.500 -0.011 0.000 1.271 105 K HN 0.490 nan 8.250 nan 0.000 0.447 106 K N 2.122 122.414 120.400 -0.181 0.000 2.472 106 K HA 0.170 4.490 4.320 -0.000 0.000 0.280 106 K C -0.148 176.143 176.600 -0.515 0.000 1.028 106 K CA 0.006 56.106 56.287 -0.312 0.000 1.045 106 K CB 0.605 33.038 32.500 -0.112 0.000 0.902 106 K HN -0.002 nan 8.250 nan 0.000 0.478 107 V N 6.612 125.943 119.914 -0.971 0.000 2.614 107 V HA 0.226 4.345 4.120 -0.000 0.000 0.291 107 V C 0.488 176.328 176.094 -0.423 0.000 1.049 107 V CA -0.322 61.519 62.300 -0.765 0.000 1.038 107 V CB 0.587 31.800 31.823 -1.016 0.000 0.980 107 V HN 0.685 nan 8.190 nan 0.000 0.481 108 I N 4.685 125.025 120.570 -0.383 0.000 2.433 108 I HA 0.437 4.607 4.170 -0.000 0.000 0.292 108 I C -1.011 174.935 176.117 -0.286 0.000 1.001 108 I CA -0.320 60.873 61.300 -0.179 0.000 1.119 108 I CB 1.778 39.711 38.000 -0.112 0.000 1.289 108 I HN 0.423 nan 8.210 nan 0.000 0.438 109 F N 4.079 123.898 119.950 -0.218 0.000 2.411 109 F HA 0.346 4.873 4.527 -0.000 0.000 0.352 109 F C 0.451 176.179 175.800 -0.119 0.000 1.123 109 F CA -0.622 57.200 58.000 -0.296 0.000 1.044 109 F CB 1.259 39.727 39.000 -0.887 0.000 1.135 109 F HN 0.396 nan 8.300 nan 0.000 0.461 110 E N 4.486 124.773 120.200 0.144 0.000 2.155 110 E HA 0.207 4.556 4.350 -0.000 0.000 0.264 110 E C -0.844 175.827 176.600 0.118 0.000 0.886 110 E CA -0.846 55.631 56.400 0.129 0.000 0.752 110 E CB 1.047 30.779 29.700 0.053 0.000 1.133 110 E HN 0.556 nan 8.360 nan 0.000 0.414 111 K N 5.226 125.675 120.400 0.082 0.000 2.416 111 K HA 0.160 4.480 4.320 -0.000 0.000 0.283 111 K C -0.735 175.786 176.600 -0.131 0.000 1.037 111 K CA -0.047 56.098 56.287 -0.238 0.000 0.995 111 K CB 0.423 32.852 32.500 -0.118 0.000 0.938 111 K HN 0.527 nan 8.250 nan 0.000 0.475 112 L N 3.598 124.728 121.223 -0.155 0.000 2.322 112 L HA 0.252 4.592 4.340 -0.000 0.000 0.281 112 L C -0.491 176.358 176.870 -0.035 0.000 1.014 112 L CA -0.987 53.823 54.840 -0.050 0.000 0.815 112 L CB 1.657 43.704 42.059 -0.020 0.000 1.247 112 L HN 0.629 nan 8.230 nan 0.000 0.421 113 D N 3.201 123.585 120.400 -0.026 0.000 2.411 113 D HA 0.312 4.951 4.640 -0.000 0.000 0.225 113 D C 0.458 176.726 176.300 -0.053 0.000 1.156 113 D CA -0.011 53.981 54.000 -0.013 0.000 0.874 113 D CB 0.899 41.701 40.800 0.003 0.000 1.034 113 D HN 0.412 nan 8.370 nan 0.000 0.502 114 L N 2.567 123.718 121.223 -0.119 0.000 2.575 114 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 114 L C 0.574 177.348 176.870 -0.159 0.000 1.075 114 L CA -0.008 54.693 54.840 -0.231 0.000 0.867 114 L CB 0.058 41.750 42.059 -0.611 0.000 1.097 114 L HN 0.250 nan 8.230 nan 0.000 0.485 115 L N 0.700 121.879 121.223 -0.074 0.000 2.357 115 L HA 0.219 4.559 4.340 -0.000 0.000 0.273 115 L C -0.262 176.653 176.870 0.075 0.000 1.080 115 L CA -0.821 54.032 54.840 0.022 0.000 0.803 115 L CB 0.951 43.055 42.059 0.076 0.000 1.174 115 L HN 0.107 nan 8.230 nan 0.000 0.443 116 D N -0.722 119.754 120.400 0.127 0.000 2.354 116 D HA 0.090 4.730 4.640 -0.000 0.000 0.247 116 D C 1.074 177.435 176.300 0.102 0.000 1.138 116 D CA -0.282 53.783 54.000 0.108 0.000 0.958 116 D CB 0.981 41.855 40.800 0.124 0.000 1.144 116 D HN 0.552 nan 8.370 nan 0.000 0.458 117 S N 0.482 116.225 115.700 0.072 0.000 2.400 117 S HA -0.255 4.215 4.470 -0.000 0.000 0.232 117 S C 1.181 175.804 174.600 0.039 0.000 1.025 117 S CA 1.144 59.376 58.200 0.053 0.000 0.993 117 S CB -0.431 62.793 63.200 0.039 0.000 0.808 117 S HN 0.533 nan 8.310 nan 0.000 0.478 118 D N 0.899 121.327 120.400 0.047 0.000 2.183 118 D HA 0.041 4.681 4.640 -0.000 0.000 0.203 118 D C 1.766 178.049 176.300 -0.030 0.000 0.969 118 D CA 0.965 54.970 54.000 0.007 0.000 0.842 118 D CB -0.351 40.474 40.800 0.041 0.000 0.957 118 D HN 0.407 nan 8.370 nan 0.000 0.484 119 M N 1.093 120.761 119.600 0.114 0.000 2.229 119 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 119 M C 1.486 177.909 176.300 0.206 0.000 1.063 119 M CA 1.410 56.868 55.300 0.263 0.000 1.114 119 M CB -0.032 32.824 32.600 0.427 0.000 1.387 119 M HN -0.223 nan 8.290 nan 0.000 0.420 120 K N -0.553 119.923 120.400 0.126 0.000 2.442 120 K HA -0.091 4.229 4.320 -0.000 0.000 0.198 120 K C 1.544 178.131 176.600 -0.022 0.000 1.042 120 K CA 0.747 57.102 56.287 0.112 0.000 0.958 120 K CB -0.076 32.476 32.500 0.087 0.000 0.766 120 K HN 0.406 nan 8.250 nan 0.000 0.474 121 K N 0.087 120.383 120.400 -0.173 0.000 2.432 121 K HA -0.011 4.309 4.320 -0.000 0.000 0.196 121 K C 0.421 176.848 176.600 -0.290 0.000 1.038 121 K CA 0.435 56.588 56.287 -0.223 0.000 0.986 121 K CB 0.075 32.425 32.500 -0.250 0.000 0.782 121 K HN 0.203 nan 8.250 nan 0.000 0.485 122 H N -0.226 118.718 119.070 -0.210 0.000 2.546 122 H HA 0.107 4.663 4.556 -0.000 0.000 0.365 122 H C -0.151 174.869 175.328 -0.513 0.000 1.220 122 H CA -0.175 55.607 56.048 -0.444 0.000 1.386 122 H CB 1.527 30.765 29.762 -0.874 0.000 1.510 122 H HN -0.155 nan 8.280 nan 0.000 0.591 123 S N 2.358 117.896 115.700 -0.269 0.000 2.532 123 S HA 0.336 4.806 4.470 -0.000 0.000 0.318 123 S C -0.824 173.686 174.600 -0.149 0.000 1.083 123 S CA -0.676 57.442 58.200 -0.137 0.000 1.131 123 S CB -0.768 62.432 63.200 0.000 0.000 0.973 123 S HN 0.291 nan 8.310 nan 0.000 0.468 124 F N 4.028 124.037 119.950 0.099 0.000 2.389 124 F HA 0.394 4.921 4.527 -0.000 0.000 0.337 124 F C 1.058 176.977 175.800 0.199 0.000 1.112 124 F CA -0.406 57.644 58.000 0.082 0.000 1.192 124 F CB 0.644 39.620 39.000 -0.039 0.000 1.185 124 F HN 0.677 nan 8.300 nan 0.000 0.552 125 W N 1.382 122.754 121.300 0.119 0.000 4.252 125 W HA 0.561 5.221 4.660 -0.000 0.000 0.192 125 W C -0.278 176.051 176.519 -0.317 0.000 2.591 125 W CA 0.438 57.770 57.345 -0.022 0.000 2.174 125 W CB -0.119 29.237 29.460 -0.173 0.000 1.743 125 W HN 0.442 nan 8.180 nan 0.000 0.516 126 A N 1.663 124.196 122.820 -0.479 0.000 2.286 126 A HA 0.561 4.881 4.320 -0.000 0.000 0.286 126 A C -0.948 176.377 177.584 -0.431 0.000 1.097 126 A CA -0.105 51.405 52.037 -0.878 0.000 0.821 126 A CB 0.769 19.516 19.000 -0.421 0.000 1.076 126 A HN 0.494 nan 8.150 nan 0.000 0.490 127 L N -1.500 119.488 121.223 -0.391 0.000 2.465 127 L HA 0.991 5.331 4.340 -0.000 0.000 0.257 127 L C -0.884 175.873 176.870 -0.189 0.000 0.988 127 L CA -0.892 53.787 54.840 -0.268 0.000 0.827 127 L CB 2.055 43.887 42.059 -0.378 0.000 1.397 127 L HN 0.578 nan 8.230 nan 0.000 0.410 128 K N 1.173 121.464 120.400 -0.182 0.000 2.561 128 K HA 0.511 4.831 4.320 -0.000 0.000 0.254 128 K C -2.215 174.335 176.600 -0.083 0.000 0.942 128 K CA -0.298 55.939 56.287 -0.082 0.000 0.818 128 K CB 1.177 33.701 32.500 0.040 0.000 1.306 128 K HN 0.711 nan 8.250 nan 0.000 0.435 129 W N 2.213 123.528 121.300 0.026 0.000 2.238 129 W HA 0.447 5.107 4.660 -0.000 0.000 0.321 129 W C 0.927 177.470 176.519 0.039 0.000 1.293 129 W CA -0.475 56.872 57.345 0.004 0.000 1.204 129 W CB 1.667 31.088 29.460 -0.064 0.000 1.167 129 W HN 0.755 nan 8.180 nan 0.000 0.553 130 G N 2.144 111.154 108.800 0.350 0.000 2.866 130 G HA2 0.579 4.539 3.960 -0.000 0.000 0.318 130 G HA3 0.579 4.539 3.960 -0.000 0.000 0.318 130 G C -0.640 174.402 174.900 0.236 0.000 1.336 130 G CA -0.655 44.586 45.100 0.235 0.000 1.067 130 G HN 0.688 nan 8.290 nan 0.000 0.515 131 A N 1.881 124.808 122.820 0.177 0.000 2.332 131 A HA 0.667 4.987 4.320 -0.000 0.000 0.258 131 A C 1.234 178.984 177.584 0.276 0.000 1.087 131 A CA 0.185 52.326 52.037 0.172 0.000 0.802 131 A CB 0.114 19.120 19.000 0.011 0.000 1.042 131 A HN 1.672 nan 8.150 nan 0.000 0.489 132 S N 0.394 116.385 115.700 0.485 0.000 3.405 132 S HA -0.180 4.290 4.470 -0.000 0.000 0.373 132 S C -0.128 174.554 174.600 0.136 0.000 0.939 132 S CA 1.505 59.859 58.200 0.258 0.000 1.295 132 S CB -1.763 61.553 63.200 0.193 0.000 0.919 132 S HN 0.883 nan 8.310 nan 0.000 0.535 139 H N 1.786 120.927 119.070 0.118 0.000 2.836 139 H HA 0.457 5.013 4.556 -0.000 0.000 0.368 139 H C 0.393 175.851 175.328 0.218 0.000 1.164 139 H CA -0.001 56.151 56.048 0.174 0.000 1.425 139 H CB 0.512 30.404 29.762 0.216 0.000 1.414 139 H HN 0.300 nan 8.280 nan 0.000 0.614 140 R N 0.886 121.637 120.500 0.417 0.000 2.744 140 R HA 0.432 4.772 4.340 -0.000 0.000 0.279 140 R C -1.893 174.655 176.300 0.414 0.000 0.977 140 R CA -1.050 55.260 56.100 0.349 0.000 0.906 140 R CB 1.435 31.874 30.300 0.231 0.000 1.197 140 R HN 0.446 nan 8.270 nan 0.000 0.463 141 L N 3.270 124.691 121.223 0.330 0.000 2.385 141 L HA 0.780 5.120 4.340 -0.000 0.000 0.273 141 L C -1.277 175.737 176.870 0.239 0.000 0.990 141 L CA -0.819 54.076 54.840 0.091 0.000 0.821 141 L CB 2.107 44.024 42.059 -0.237 0.000 1.279 141 L HN 0.463 nan 8.230 nan 0.000 0.412 142 V N 2.175 122.155 119.914 0.109 0.000 2.680 142 V HA 1.085 5.205 4.120 -0.000 0.000 0.309 142 V C -0.465 175.698 176.094 0.116 0.000 1.052 142 V CA 0.034 62.422 62.300 0.148 0.000 0.908 142 V CB 1.085 32.957 31.823 0.080 0.000 1.001 142 V HN 1.264 nan 8.190 nan 0.000 0.431 143 A N 2.837 125.784 122.820 0.211 0.000 2.587 143 A HA 0.993 5.313 4.320 -0.000 0.000 0.293 143 A C -0.204 177.538 177.584 0.264 0.000 1.087 143 A CA -0.112 52.027 52.037 0.170 0.000 0.692 143 A CB 1.915 21.014 19.000 0.165 0.000 1.291 143 A HN 1.871 nan 8.150 nan 0.000 0.407 144 T N -1.174 113.502 114.554 0.203 0.000 2.942 144 T HA 0.743 5.093 4.350 -0.000 0.000 0.289 144 T C -0.788 174.101 174.700 0.315 0.000 1.044 144 T CA -0.271 61.950 62.100 0.203 0.000 1.023 144 T CB 1.593 70.441 68.868 -0.033 0.000 1.123 144 T HN 0.868 nan 8.240 nan 0.000 0.512 145 D N -0.121 120.431 120.400 0.252 0.000 2.414 145 D HA 0.317 4.957 4.640 -0.000 0.000 0.241 145 D C 1.557 177.921 176.300 0.106 0.000 1.008 145 D CA -0.720 53.365 54.000 0.141 0.000 1.001 145 D CB 0.942 41.732 40.800 -0.015 0.000 1.277 145 D HN 0.564 nan 8.370 nan 0.000 0.538 146 V N -1.574 118.425 119.914 0.142 0.000 2.913 146 V HA -0.071 4.048 4.120 -0.000 0.000 0.260 146 V C 1.429 177.638 176.094 0.191 0.000 1.098 146 V CA 1.080 63.525 62.300 0.241 0.000 1.121 146 V CB -1.012 30.936 31.823 0.208 0.000 0.714 146 V HN 0.495 nan 8.190 nan 0.000 0.487 147 K N 0.805 121.268 120.400 0.104 0.000 2.444 147 K HA 0.403 4.723 4.320 -0.000 0.000 0.193 147 K C 1.517 178.173 176.600 0.094 0.000 1.024 147 K CA 0.657 56.993 56.287 0.082 0.000 1.077 147 K CB 0.371 32.902 32.500 0.051 0.000 0.833 147 K HN 0.730 nan 8.250 nan 0.000 0.517 148 G N 0.800 109.667 108.800 0.111 0.000 2.231 148 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.206 148 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.206 148 G C 0.270 175.246 174.900 0.126 0.000 0.996 148 G CA -0.221 45.003 45.100 0.208 0.000 0.645 148 G HN 0.255 nan 8.290 nan 0.000 0.498 149 T N 1.965 116.523 114.554 0.007 0.000 2.910 149 T HA 0.572 4.922 4.350 -0.000 0.000 0.293 149 T C 0.175 174.764 174.700 -0.186 0.000 1.015 149 T CA 0.677 62.679 62.100 -0.163 0.000 1.094 149 T CB 1.611 70.261 68.868 -0.364 0.000 0.968 149 T HN 0.204 nan 8.240 nan 0.000 0.521 150 T N 2.583 116.951 114.554 -0.310 0.000 2.823 150 T HA 0.542 4.892 4.350 -0.000 0.000 0.279 150 T C -1.181 173.261 174.700 -0.429 0.000 0.998 150 T CA -0.430 61.551 62.100 -0.198 0.000 0.994 150 T CB 0.462 69.254 68.868 -0.126 0.000 0.960 150 T HN 0.403 nan 8.240 nan 0.000 0.448 151 Y N 1.574 121.774 120.300 -0.166 0.000 2.429 151 Y HA 0.691 5.241 4.550 -0.000 0.000 0.342 151 Y C -0.328 175.295 175.900 -0.461 0.000 1.004 151 Y CA -1.367 56.484 58.100 -0.415 0.000 1.075 151 Y CB 1.204 39.309 38.460 -0.592 0.000 1.214 151 Y HN 0.420 nan 8.280 nan 0.000 0.455 152 I N 2.809 123.129 120.570 -0.417 0.000 2.466 152 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 152 I C -1.113 174.886 176.117 -0.196 0.000 1.026 152 I CA -0.849 60.340 61.300 -0.185 0.000 1.078 152 I CB 1.136 39.086 38.000 -0.084 0.000 1.249 152 I HN 0.452 nan 8.210 nan 0.000 0.429 153 W N 4.135 125.477 121.300 0.069 0.000 2.882 153 W HA 0.531 5.191 4.660 -0.000 0.000 0.345 153 W C -0.374 176.191 176.519 0.077 0.000 1.125 153 W CA -0.962 56.426 57.345 0.072 0.000 1.167 153 W CB 2.084 31.583 29.460 0.064 0.000 1.431 153 W HN 0.203 nan 8.180 nan 0.000 0.543 154 K N 1.544 122.117 120.400 0.288 0.000 2.159 154 K HA 0.359 4.679 4.320 -0.000 0.000 0.266 154 K C -0.986 175.603 176.600 -0.018 0.000 0.975 154 K CA -0.720 55.620 56.287 0.088 0.000 0.865 154 K CB 1.672 34.144 32.500 -0.046 0.000 1.087 154 K HN 0.197 nan 8.250 nan 0.000 0.446 155 F N 2.634 122.507 119.950 -0.128 0.000 2.421 155 F HA 0.305 4.832 4.527 -0.000 0.000 0.337 155 F C -0.676 174.921 175.800 -0.338 0.000 1.105 155 F CA -0.463 57.468 58.000 -0.114 0.000 1.049 155 F CB 0.851 39.940 39.000 0.147 0.000 1.139 155 F HN 0.534 nan 8.300 nan 0.000 0.479 156 H N 6.483 125.012 119.070 -0.902 0.000 2.823 156 H HA 0.275 4.831 4.556 -0.000 0.000 0.332 156 H C -2.006 172.724 175.328 -0.997 0.000 0.980 156 H CA -1.704 53.937 56.048 -0.679 0.000 1.286 156 H CB 1.567 31.143 29.762 -0.311 0.000 1.541 156 H HN 0.370 nan 8.280 nan 0.000 0.521 157 P HA -0.119 nan 4.420 nan 0.000 0.223 157 P C -0.509 176.357 177.300 -0.723 0.000 1.151 157 P CA 0.913 63.623 63.100 -0.650 0.000 0.787 157 P CB 0.465 31.880 31.700 -0.475 0.000 0.788 158 F N -0.935 118.988 119.950 -0.044 0.000 2.507 158 F HA 0.568 5.095 4.527 -0.000 0.000 0.325 158 F C 1.578 177.326 175.800 -0.087 0.000 1.116 158 F CA -1.213 56.746 58.000 -0.068 0.000 0.930 158 F CB 0.730 39.658 39.000 -0.120 0.000 1.146 158 F HN -0.221 nan 8.300 nan 0.000 0.447 159 A N 1.362 124.241 122.820 0.098 0.000 1.940 159 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 159 A C 0.264 177.838 177.584 -0.018 0.000 1.176 159 A CA 2.176 54.221 52.037 0.014 0.000 0.631 159 A CB -0.799 18.211 19.000 0.018 0.000 0.814 159 A HN 0.838 nan 8.150 nan 0.000 0.446 160 D N -4.848 115.555 120.400 0.005 0.000 2.692 160 D HA 0.318 4.958 4.640 -0.000 0.000 0.303 160 D C 0.139 176.410 176.300 -0.048 0.000 1.278 160 D CA -0.559 53.419 54.000 -0.038 0.000 0.852 160 D CB 0.060 40.831 40.800 -0.048 0.000 1.375 160 D HN -0.192 nan 8.370 nan 0.000 0.453 161 E N -0.198 119.957 120.200 -0.075 0.000 2.204 161 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 161 E C 1.829 178.335 176.600 -0.156 0.000 0.989 161 E CA 1.497 57.829 56.400 -0.113 0.000 0.824 161 E CB -0.322 29.322 29.700 -0.094 0.000 0.756 161 E HN 0.542 nan 8.360 nan 0.000 0.477 162 S N 0.965 116.591 115.700 -0.124 0.000 2.402 162 S HA -0.085 4.384 4.470 -0.000 0.000 0.229 162 S C 1.681 176.174 174.600 -0.179 0.000 1.021 162 S CA 0.832 58.952 58.200 -0.133 0.000 0.974 162 S CB -0.137 63.008 63.200 -0.091 0.000 0.800 162 S HN 0.155 nan 8.310 nan 0.000 0.484 163 N N 1.256 119.855 118.700 -0.168 0.000 2.171 163 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 163 N C 1.981 177.176 175.510 -0.525 0.000 1.021 163 N CA 1.255 54.183 53.050 -0.203 0.000 0.854 163 N CB -0.516 37.951 38.487 -0.033 0.000 0.994 163 N HN 0.553 nan 8.380 nan 0.000 0.426 164 S N 1.334 116.640 115.700 -0.656 0.000 2.383 164 S HA -0.004 4.466 4.470 -0.000 0.000 0.229 164 S C 2.027 176.079 174.600 -0.914 0.000 1.030 164 S CA 0.654 58.059 58.200 -1.325 0.000 1.002 164 S CB -0.212 62.583 63.200 -0.674 0.000 0.829 164 S HN 0.225 nan 8.310 nan 0.000 0.467 165 L N 0.967 121.879 121.223 -0.519 0.000 2.265 165 L HA -0.033 4.307 4.340 -0.000 0.000 0.215 165 L C 2.115 178.758 176.870 -0.378 0.000 1.117 165 L CA 1.517 56.130 54.840 -0.379 0.000 0.782 165 L CB -0.595 41.314 42.059 -0.249 0.000 0.914 165 L HN 0.551 nan 8.230 nan 0.000 0.441 166 T N -4.548 109.755 114.554 -0.418 0.000 3.132 166 T HA 0.274 4.623 4.350 -0.000 0.000 0.274 166 T C 0.806 175.234 174.700 -0.454 0.000 1.011 166 T CA -0.437 61.452 62.100 -0.351 0.000 0.899 166 T CB 0.151 68.879 68.868 -0.232 0.000 1.089 166 T HN 0.139 nan 8.240 nan 0.000 0.543 167 L N 1.088 121.885 121.223 -0.710 0.000 3.737 167 L HA -0.194 4.146 4.340 -0.000 0.000 0.418 167 L C 0.392 176.921 176.870 -0.568 0.000 1.216 167 L CA 0.376 54.701 54.840 -0.857 0.000 0.915 167 L CB -1.985 39.552 42.059 -0.869 0.000 1.834 167 L HN 0.628 nan 8.230 nan 0.000 0.943 168 N N 0.360 118.846 118.700 -0.355 0.000 2.807 168 N HA 0.177 4.917 4.740 -0.000 0.000 0.259 168 N C 0.166 175.775 175.510 0.165 0.000 1.149 168 N CA -0.713 52.296 53.050 -0.068 0.000 1.042 168 N CB 0.278 38.734 38.487 -0.053 0.000 1.367 168 N HN 0.215 nan 8.380 nan 0.000 0.516 169 W N 2.285 123.795 121.300 0.349 0.000 2.409 169 W HA -0.039 4.621 4.660 -0.000 0.000 0.338 169 W C 0.504 177.103 176.519 0.133 0.000 1.273 169 W CA -0.235 57.254 57.345 0.240 0.000 1.299 169 W CB 0.204 29.743 29.460 0.131 0.000 1.192 169 W HN 0.398 nan 8.180 nan 0.000 0.565 170 S N 1.927 117.785 115.700 0.263 0.000 2.730 170 S HA 0.157 4.627 4.470 -0.000 0.000 0.150 170 S C -2.538 172.087 174.600 0.041 0.000 1.139 170 S CA -1.221 57.063 58.200 0.141 0.000 1.155 170 S CB -0.072 63.204 63.200 0.127 0.000 1.682 170 S HN 0.258 nan 8.310 nan 0.000 0.452 171 P HA 0.262 nan 4.420 nan 0.000 0.267 171 P C -0.052 177.172 177.300 -0.127 0.000 1.201 171 P CA 0.602 63.606 63.100 -0.159 0.000 0.775 171 P CB 0.719 32.417 31.700 -0.003 0.000 0.854 172 T N -0.536 113.890 114.554 -0.213 0.000 2.900 172 T HA 0.593 4.943 4.350 -0.000 0.000 0.303 172 T C -0.839 173.809 174.700 -0.087 0.000 1.142 172 T CA -0.919 61.129 62.100 -0.087 0.000 1.007 172 T CB 1.183 70.049 68.868 -0.004 0.000 1.156 172 T HN 0.259 nan 8.240 nan 0.000 0.490 173 L N 1.792 122.996 121.223 -0.032 0.000 2.319 173 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 173 L C -0.128 176.853 176.870 0.186 0.000 1.005 173 L CA -0.617 54.228 54.840 0.009 0.000 0.828 173 L CB 1.603 43.487 42.059 -0.291 0.000 1.227 173 L HN 0.868 nan 8.230 nan 0.000 0.415 174 E N 4.995 125.360 120.200 0.275 0.000 2.081 174 E HA 0.203 4.553 4.350 -0.000 0.000 0.276 174 E C -1.046 175.770 176.600 0.360 0.000 0.950 174 E CA -0.936 55.648 56.400 0.308 0.000 0.776 174 E CB 1.664 31.552 29.700 0.313 0.000 1.094 174 E HN 0.430 nan 8.360 nan 0.000 0.402 175 L N 4.929 126.354 121.223 0.336 0.000 2.477 175 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 175 L C 0.934 177.809 176.870 0.008 0.000 1.157 175 L CA 0.386 55.261 54.840 0.057 0.000 0.889 175 L CB 0.937 42.987 42.059 -0.016 0.000 1.158 175 L HN 0.645 nan 8.230 nan 0.000 0.473 176 Q N 4.074 123.842 119.800 -0.054 0.000 2.204 176 Q HA 0.372 4.712 4.340 -0.000 0.000 0.198 176 Q C 0.767 176.725 176.000 -0.071 0.000 0.946 176 Q CA 0.845 56.632 55.803 -0.027 0.000 0.859 176 Q CB 0.322 29.055 28.738 -0.008 0.000 0.946 176 Q HN 0.948 nan 8.270 nan 0.000 0.474 177 G N -0.243 108.469 108.800 -0.147 0.000 2.344 177 G HA2 0.273 4.233 3.960 -0.000 0.000 0.282 177 G HA3 0.273 4.233 3.960 -0.000 0.000 0.282 177 G C -1.271 173.487 174.900 -0.236 0.000 1.281 177 G CA -0.180 44.831 45.100 -0.148 0.000 0.877 177 G HN 0.155 nan 8.290 nan 0.000 0.494 178 T N -2.933 111.475 114.554 -0.242 0.000 2.883 178 T HA 0.740 5.090 4.350 -0.000 0.000 0.296 178 T C -1.257 173.284 174.700 -0.266 0.000 1.117 178 T CA -0.752 61.127 62.100 -0.367 0.000 1.006 178 T CB 2.010 70.567 68.868 -0.519 0.000 1.191 178 T HN 1.229 nan 8.240 nan 0.000 0.508 179 V N 2.281 122.027 119.914 -0.281 0.000 2.444 179 V HA 0.429 4.549 4.120 -0.000 0.000 0.294 179 V C -0.316 175.673 176.094 -0.174 0.000 1.022 179 V CA -0.872 61.320 62.300 -0.179 0.000 0.850 179 V CB 1.497 33.242 31.823 -0.131 0.000 0.992 179 V HN 0.904 nan 8.190 nan 0.000 0.426 180 E N 2.368 122.487 120.200 -0.135 0.000 2.373 180 E HA 0.253 4.603 4.350 -0.000 0.000 0.263 180 E C 0.479 177.040 176.600 -0.065 0.000 1.073 180 E CA -0.145 56.189 56.400 -0.111 0.000 0.894 180 E CB 1.161 30.802 29.700 -0.098 0.000 1.008 180 E HN 0.756 nan 8.360 nan 0.000 0.420 181 S N 1.957 117.633 115.700 -0.040 0.000 2.568 181 S HA 0.076 4.546 4.470 -0.000 0.000 0.282 181 S C -1.393 173.103 174.600 -0.173 0.000 1.338 181 S CA -0.860 57.296 58.200 -0.072 0.000 1.045 181 S CB 0.786 63.925 63.200 -0.102 0.000 0.873 181 S HN 0.354 nan 8.310 nan 0.000 0.516 182 P HA 0.039 nan 4.420 nan 0.000 0.227 182 P C 0.653 177.827 177.300 -0.211 0.000 1.161 182 P CA 0.683 63.658 63.100 -0.208 0.000 0.788 182 P CB 0.017 31.594 31.700 -0.206 0.000 0.822 183 M N -0.532 118.891 119.600 -0.295 0.000 2.613 183 M HA 0.591 5.071 4.480 -0.000 0.000 0.301 183 M C -1.197 175.002 176.300 -0.169 0.000 1.205 183 M CA -0.048 55.117 55.300 -0.225 0.000 0.950 183 M CB 0.942 33.379 32.600 -0.271 0.000 1.585 183 M HN -0.393 nan 8.290 nan 0.000 0.490 184 T N 1.771 116.252 114.554 -0.121 0.000 2.991 184 T HA 0.636 4.985 4.350 -0.000 0.000 0.303 184 T C -2.428 172.228 174.700 -0.072 0.000 1.015 184 T CA -0.578 61.470 62.100 -0.087 0.000 1.007 184 T CB 1.443 70.272 68.868 -0.066 0.000 1.034 184 T HN 0.605 nan 8.240 nan 0.000 0.446 185 P HA 0.361 nan 4.420 nan 0.000 0.272 185 P C -0.216 177.039 177.300 -0.074 0.000 1.223 185 P CA -0.454 62.612 63.100 -0.056 0.000 0.784 185 P CB 0.500 32.175 31.700 -0.042 0.000 0.923 186 S N 1.282 116.945 115.700 -0.063 0.000 2.572 186 S HA 0.113 4.582 4.470 -0.000 0.000 0.279 186 S C -0.213 174.371 174.600 -0.027 0.000 1.341 186 S CA -0.504 57.653 58.200 -0.072 0.000 1.043 186 S CB -0.007 63.173 63.200 -0.032 0.000 0.887 186 S HN 0.271 nan 8.310 nan 0.000 0.516 187 Q N 1.823 121.616 119.800 -0.011 0.000 2.297 187 Q HA 0.345 4.685 4.340 -0.000 0.000 0.269 187 Q C -0.768 175.403 176.000 0.285 0.000 1.051 187 Q CA -0.734 55.130 55.803 0.103 0.000 0.869 187 Q CB 0.920 29.698 28.738 0.067 0.000 1.346 187 Q HN 0.732 nan 8.270 nan 0.000 0.457 188 F N 1.671 121.639 119.950 0.029 0.000 2.571 188 F HA 0.188 4.715 4.527 -0.000 0.000 0.384 188 F C -0.159 175.592 175.800 -0.082 0.000 1.058 188 F CA -0.665 57.282 58.000 -0.088 0.000 1.200 188 F CB 0.275 39.135 39.000 -0.233 0.000 1.077 188 F HN 0.498 nan 8.300 nan 0.000 0.558 189 A N 5.157 127.642 122.820 -0.559 0.000 2.527 189 A HA 0.307 4.626 4.320 -0.000 0.000 0.313 189 A C 1.183 178.174 177.584 -0.989 0.000 1.410 189 A CA 0.157 51.672 52.037 -0.870 0.000 1.060 189 A CB -0.700 17.880 19.000 -0.701 0.000 1.137 189 A HN 0.939 nan 8.150 nan 0.000 0.542 190 T N -0.577 113.435 114.554 -0.903 0.000 2.995 190 T HA 0.115 4.465 4.350 -0.000 0.000 0.269 190 T C 0.740 175.397 174.700 -0.071 0.000 1.091 190 T CA 0.997 62.734 62.100 -0.604 0.000 1.128 190 T CB -0.511 68.182 68.868 -0.293 0.000 0.891 190 T HN 1.240 nan 8.240 nan 0.000 0.492 191 S N -1.030 114.548 115.700 -0.205 0.000 2.565 191 S HA 0.728 5.198 4.470 -0.000 0.000 0.269 191 S C -1.425 173.075 174.600 -0.167 0.000 1.153 191 S CA -0.730 57.408 58.200 -0.103 0.000 0.835 191 S CB 2.084 65.253 63.200 -0.051 0.000 1.122 191 S HN 0.518 nan 8.310 nan 0.000 0.462 192 V N 0.519 120.378 119.914 -0.092 0.000 3.147 192 V HA 0.822 4.942 4.120 -0.000 0.000 0.299 192 V C -2.216 173.884 176.094 0.010 0.000 1.302 192 V CA -0.290 61.965 62.300 -0.074 0.000 1.015 192 V CB 2.347 34.125 31.823 -0.075 0.000 1.086 192 V HN 1.210 nan 8.190 nan 0.000 0.437 193 D N 2.445 122.891 120.400 0.077 0.000 2.609 193 D HA 0.533 5.172 4.640 -0.000 0.000 0.239 193 D C -1.579 174.925 176.300 0.339 0.000 1.229 193 D CA -0.221 53.898 54.000 0.198 0.000 0.808 193 D CB 2.341 43.271 40.800 0.216 0.000 1.448 193 D HN 0.774 nan 8.370 nan 0.000 0.433 194 I N 1.619 122.368 120.570 0.299 0.000 2.466 194 I HA 0.508 4.677 4.170 -0.000 0.000 0.289 194 I C -0.518 175.633 176.117 0.056 0.000 1.026 194 I CA -0.346 61.054 61.300 0.167 0.000 1.078 194 I CB 1.403 39.465 38.000 0.104 0.000 1.249 194 I HN 0.455 nan 8.210 nan 0.000 0.429 195 S N 4.787 120.269 115.700 -0.363 0.000 2.652 195 S HA 0.337 4.807 4.470 -0.000 0.000 0.270 195 S C 0.637 175.106 174.600 -0.218 0.000 1.243 195 S CA -0.522 57.398 58.200 -0.467 0.000 0.999 195 S CB 1.426 63.926 63.200 -1.167 0.000 0.973 195 S HN 0.750 nan 8.310 nan 0.000 0.544 196 E N 0.350 120.467 120.200 -0.138 0.000 2.478 196 E HA -0.024 4.326 4.350 -0.000 0.000 0.198 196 E C 0.470 177.019 176.600 -0.085 0.000 1.046 196 E CA 0.458 56.818 56.400 -0.067 0.000 0.870 196 E CB -0.080 29.600 29.700 -0.032 0.000 0.818 196 E HN 0.518 nan 8.360 nan 0.000 0.527 197 R N -0.357 120.054 120.500 -0.148 0.000 2.586 197 R HA 0.209 4.549 4.340 -0.000 0.000 0.336 197 R C 0.667 176.887 176.300 -0.135 0.000 1.060 197 R CA 0.393 56.420 56.100 -0.121 0.000 1.079 197 R CB 0.799 31.032 30.300 -0.113 0.000 1.317 197 R HN 0.153 nan 8.270 nan 0.000 0.568 198 G N 0.200 108.911 108.800 -0.149 0.000 2.142 198 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.225 198 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.225 198 G C -0.575 174.232 174.900 -0.155 0.000 1.015 198 G CA -0.370 44.657 45.100 -0.121 0.000 0.716 198 G HN 0.109 nan 8.290 nan 0.000 0.508 199 L N -0.089 120.961 121.223 -0.288 0.000 2.333 199 L HA 0.846 5.186 4.340 -0.000 0.000 0.269 199 L C 0.327 177.062 176.870 -0.225 0.000 1.010 199 L CA -1.330 53.347 54.840 -0.272 0.000 0.818 199 L CB 1.846 43.674 42.059 -0.386 0.000 1.306 199 L HN 0.171 nan 8.230 nan 0.000 0.430 200 I N 1.453 122.051 120.570 0.047 0.000 2.608 200 I HA 0.756 4.926 4.170 -0.000 0.000 0.295 200 I C -0.531 175.766 176.117 0.300 0.000 1.049 200 I CA -0.741 60.672 61.300 0.189 0.000 1.063 200 I CB 2.137 40.171 38.000 0.057 0.000 1.248 200 I HN 0.655 nan 8.210 nan 0.000 0.424 201 A N 3.409 126.399 122.820 0.284 0.000 2.371 201 A HA 0.870 5.190 4.320 -0.000 0.000 0.311 201 A C -0.749 176.786 177.584 -0.081 0.000 1.068 201 A CA -0.464 51.583 52.037 0.016 0.000 0.744 201 A CB 1.568 20.407 19.000 -0.268 0.000 1.239 201 A HN 0.610 nan 8.150 nan 0.000 0.435 202 T N 1.342 115.803 114.554 -0.156 0.000 2.841 202 T HA 0.637 4.987 4.350 -0.000 0.000 0.285 202 T C 0.184 174.637 174.700 -0.412 0.000 0.991 202 T CA -0.112 61.812 62.100 -0.294 0.000 0.966 202 T CB 1.663 70.348 68.868 -0.305 0.000 0.962 202 T HN 1.089 nan 8.240 nan 0.000 0.438 203 G N 1.836 110.343 108.800 -0.488 0.000 2.389 203 G HA2 0.710 4.670 3.960 -0.000 0.000 0.328 203 G HA3 0.710 4.670 3.960 -0.000 0.000 0.328 203 G C -1.239 173.277 174.900 -0.640 0.000 1.133 203 G CA -0.464 44.400 45.100 -0.393 0.000 0.891 203 G HN 0.512 nan 8.290 nan 0.000 0.485 204 F N 0.032 119.871 119.950 -0.186 0.000 2.579 204 F HA 0.294 4.821 4.527 -0.000 0.000 0.324 204 F C 1.287 177.016 175.800 -0.117 0.000 1.058 204 F CA -1.266 56.632 58.000 -0.170 0.000 0.944 204 F CB 1.931 40.843 39.000 -0.147 0.000 1.245 204 F HN 0.463 nan 8.300 nan 0.000 0.477 205 N N 0.668 119.432 118.700 0.106 0.000 2.575 205 N HA -0.137 4.603 4.740 -0.000 0.000 0.192 205 N C 0.172 175.715 175.510 0.054 0.000 1.200 205 N CA 0.537 53.630 53.050 0.071 0.000 0.897 205 N CB -0.715 37.847 38.487 0.125 0.000 0.990 205 N HN 0.672 nan 8.380 nan 0.000 0.449 206 N N -1.143 117.600 118.700 0.071 0.000 2.203 206 N HA 0.157 4.897 4.740 -0.000 0.000 0.207 206 N C 1.009 176.538 175.510 0.031 0.000 1.130 206 N CA 0.360 53.430 53.050 0.032 0.000 0.861 206 N CB -0.040 38.447 38.487 0.000 0.000 1.005 206 N HN 0.237 nan 8.380 nan 0.000 0.507 207 G N -0.644 108.180 108.800 0.040 0.000 2.175 207 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 207 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 207 G C -0.055 174.823 174.900 -0.037 0.000 0.982 207 G CA 0.428 45.539 45.100 0.018 0.000 0.641 207 G HN 0.454 nan 8.290 nan 0.000 0.527 208 T N 0.580 115.113 114.554 -0.035 0.000 2.909 208 T HA 0.581 4.931 4.350 -0.000 0.000 0.289 208 T C 0.085 174.711 174.700 -0.124 0.000 1.005 208 T CA -0.037 61.986 62.100 -0.127 0.000 1.084 208 T CB 2.435 71.191 68.868 -0.187 0.000 0.975 208 T HN 0.518 nan 8.240 nan 0.000 0.509 209 V N 2.847 122.468 119.914 -0.489 0.000 2.656 209 V HA 0.501 4.621 4.120 -0.000 0.000 0.307 209 V C -0.362 175.447 176.094 -0.476 0.000 1.051 209 V CA -0.849 61.111 62.300 -0.567 0.000 0.893 209 V CB 1.902 33.026 31.823 -1.165 0.000 0.999 209 V HN 0.847 nan 8.190 nan 0.000 0.426 210 Q N 3.781 123.481 119.800 -0.166 0.000 2.340 210 Q HA 0.606 4.946 4.340 -0.000 0.000 0.268 210 Q C -1.663 174.238 176.000 -0.165 0.000 1.031 210 Q CA -0.674 55.049 55.803 -0.132 0.000 0.804 210 Q CB 1.857 30.599 28.738 0.007 0.000 1.286 210 Q HN 0.595 nan 8.270 nan 0.000 0.448 211 I N 2.530 122.931 120.570 -0.281 0.000 2.377 211 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 211 I C -0.312 175.651 176.117 -0.257 0.000 0.987 211 I CA -0.296 60.830 61.300 -0.291 0.000 1.185 211 I CB 1.342 38.975 38.000 -0.611 0.000 1.341 211 I HN 0.617 nan 8.210 nan 0.000 0.455 212 S N 4.056 119.685 115.700 -0.119 0.000 2.634 212 S HA 0.422 4.892 4.470 -0.000 0.000 0.296 212 S C -0.504 174.056 174.600 -0.068 0.000 1.104 212 S CA -0.785 57.358 58.200 -0.095 0.000 0.920 212 S CB 2.545 65.703 63.200 -0.071 0.000 1.111 212 S HN 0.578 nan 8.310 nan 0.000 0.493 213 E N 1.003 121.167 120.200 -0.061 0.000 2.146 213 E HA 0.232 4.581 4.350 -0.000 0.000 0.282 213 E C 0.498 177.071 176.600 -0.045 0.000 0.989 213 E CA -0.468 55.901 56.400 -0.051 0.000 0.799 213 E CB 0.740 30.417 29.700 -0.038 0.000 1.088 213 E HN 0.491 nan 8.360 nan 0.000 0.397 214 L N 4.484 125.679 121.223 -0.047 0.000 2.131 214 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 214 L C 1.977 178.834 176.870 -0.022 0.000 1.092 214 L CA 2.430 57.250 54.840 -0.033 0.000 0.759 214 L CB -0.483 41.555 42.059 -0.034 0.000 0.903 214 L HN 0.662 nan 8.230 nan 0.000 0.435 215 S N -2.282 113.405 115.700 -0.022 0.000 2.377 215 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 215 S C 1.846 176.438 174.600 -0.014 0.000 1.030 215 S CA 1.085 59.278 58.200 -0.012 0.000 0.970 215 S CB -1.088 62.105 63.200 -0.011 0.000 0.830 215 S HN 0.613 nan 8.310 nan 0.000 0.473 216 T N -1.521 113.021 114.554 -0.020 0.000 3.037 216 T HA 0.329 4.679 4.350 -0.000 0.000 0.251 216 T C 0.647 175.328 174.700 -0.031 0.000 1.079 216 T CA 0.163 62.251 62.100 -0.021 0.000 1.067 216 T CB -0.421 68.436 68.868 -0.018 0.000 0.948 216 T HN 0.284 nan 8.240 nan 0.000 0.496 217 L N 0.877 122.076 121.223 -0.039 0.000 3.717 217 L HA -0.120 4.220 4.340 -0.000 0.000 0.411 217 L C -0.051 176.785 176.870 -0.057 0.000 1.233 217 L CA 0.538 55.345 54.840 -0.056 0.000 0.917 217 L CB -1.790 40.230 42.059 -0.066 0.000 1.902 217 L HN 0.492 nan 8.230 nan 0.000 0.894 218 R N 0.945 121.417 120.500 -0.047 0.000 2.460 218 R HA 0.595 4.935 4.340 -0.000 0.000 0.303 218 R C -2.168 174.102 176.300 -0.050 0.000 0.968 218 R CA -1.744 54.330 56.100 -0.043 0.000 0.889 218 R CB 1.208 31.492 30.300 -0.027 0.000 1.123 218 R HN -0.033 nan 8.270 nan 0.000 0.455 219 P HA 0.051 nan 4.420 nan 0.000 0.271 219 P C 0.103 177.372 177.300 -0.053 0.000 1.216 219 P CA 0.014 63.073 63.100 -0.068 0.000 0.771 219 P CB 0.963 32.627 31.700 -0.060 0.000 0.864 220 L N 2.670 123.830 121.223 -0.105 0.000 2.189 220 L HA 0.094 4.434 4.340 -0.000 0.000 0.199 220 L C 0.554 177.472 176.870 0.080 0.000 1.074 220 L CA 1.093 55.910 54.840 -0.038 0.000 0.783 220 L CB -0.277 41.716 42.059 -0.110 0.000 0.955 220 L HN 0.489 nan 8.230 nan 0.000 0.460 221 Y N -1.658 118.683 120.300 0.067 0.000 2.741 221 Y HA 0.446 4.996 4.550 0.000 0.000 0.339 221 Y C -1.470 174.473 175.900 0.071 0.000 1.226 221 Y CA -2.001 56.150 58.100 0.084 0.000 1.072 221 Y CB 0.493 39.035 38.460 0.136 0.000 1.331 221 Y HN 0.034 nan 8.280 nan 0.000 0.453 222 N N 0.810 119.679 118.700 0.282 0.000 2.277 222 N HA 0.660 5.400 4.740 -0.000 0.000 0.286 222 N C -1.776 173.866 175.510 0.221 0.000 1.140 222 N CA -0.575 52.538 53.050 0.106 0.000 0.799 222 N CB 3.311 41.767 38.487 -0.051 0.000 1.596 222 N HN 0.805 nan 8.380 nan 0.000 0.473 223 F N -1.335 118.652 119.950 0.062 0.000 2.650 223 F HA 0.678 5.205 4.527 0.000 0.000 0.320 223 F C -1.049 174.735 175.800 -0.027 0.000 1.091 223 F CA -0.993 57.021 58.000 0.023 0.000 0.962 223 F CB 1.408 40.422 39.000 0.023 0.000 1.363 223 F HN 0.345 nan 8.300 nan 0.000 0.482 224 E N 0.425 120.780 120.200 0.259 0.000 2.212 224 E HA 0.386 4.736 4.350 -0.000 0.000 0.268 224 E C -0.286 176.457 176.600 0.237 0.000 0.902 224 E CA -0.826 55.653 56.400 0.131 0.000 0.779 224 E CB 2.153 31.895 29.700 0.071 0.000 1.172 224 E HN 0.705 nan 8.360 nan 0.000 0.409 225 S N 2.170 117.945 115.700 0.126 0.000 2.349 225 S HA -0.179 4.291 4.470 -0.000 0.000 0.216 225 S C 0.246 174.924 174.600 0.131 0.000 1.033 225 S CA 1.196 59.447 58.200 0.085 0.000 1.021 225 S CB -0.207 62.881 63.200 -0.186 0.000 0.968 225 S HN 0.691 nan 8.310 nan 0.000 0.426 226 Q N -1.066 118.809 119.800 0.125 0.000 3.366 226 Q HA 0.091 4.431 4.340 -0.000 0.000 0.147 226 Q C -0.782 175.353 176.000 0.224 0.000 0.999 226 Q CA -0.584 55.302 55.803 0.139 0.000 1.176 226 Q CB -0.455 28.363 28.738 0.134 0.000 1.971 226 Q HN 0.318 nan 8.270 nan 0.000 0.586 232 N N 0.726 119.443 118.700 0.028 0.000 2.483 232 N HA 0.165 4.905 4.740 -0.000 0.000 0.269 232 N C -0.760 174.775 175.510 0.043 0.000 1.209 232 N CA -0.075 53.002 53.050 0.044 0.000 0.969 232 N CB 1.538 40.061 38.487 0.060 0.000 1.173 232 N HN 0.155 nan 8.380 nan 0.000 0.475 233 S N 0.503 116.219 115.700 0.025 0.000 2.564 233 S HA 0.090 4.560 4.470 -0.000 0.000 0.278 233 S C 0.149 174.777 174.600 0.047 0.000 1.333 233 S CA -0.492 57.690 58.200 -0.030 0.000 1.048 233 S CB 0.110 63.186 63.200 -0.207 0.000 0.900 233 S HN 0.757 nan 8.310 nan 0.000 0.505 234 N N 1.851 120.586 118.700 0.058 0.000 2.307 234 N HA 0.098 4.838 4.740 -0.000 0.000 0.248 234 N C -0.305 175.270 175.510 0.109 0.000 1.322 234 N CA -0.416 52.719 53.050 0.142 0.000 0.861 234 N CB -0.001 38.583 38.487 0.161 0.000 1.303 234 N HN 0.329 nan 8.380 nan 0.000 0.498 235 S N 0.967 116.682 115.700 0.024 0.000 2.558 235 S HA 0.156 4.625 4.470 -0.000 0.000 0.288 235 S C 0.369 175.000 174.600 0.053 0.000 1.318 235 S CA -0.376 57.827 58.200 0.005 0.000 1.056 235 S CB 0.024 63.176 63.200 -0.079 0.000 0.853 235 S HN 0.189 nan 8.310 nan 0.000 0.505 236 I N 5.274 125.866 120.570 0.037 0.000 2.474 236 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 236 I C 1.501 177.630 176.117 0.019 0.000 1.048 236 I CA 0.321 61.651 61.300 0.050 0.000 1.383 236 I CB 0.947 38.933 38.000 -0.024 0.000 1.412 236 I HN 0.854 nan 8.210 nan 0.000 0.531 237 R N 2.221 122.752 120.500 0.052 0.000 2.287 237 R HA 0.198 4.538 4.340 -0.000 0.000 0.197 237 R C 0.169 176.502 176.300 0.056 0.000 0.900 237 R CA 0.209 56.335 56.100 0.043 0.000 1.052 237 R CB 0.790 31.117 30.300 0.045 0.000 1.117 237 R HN 0.632 nan 8.270 nan 0.000 0.568 238 S N 0.354 116.084 115.700 0.049 0.000 2.535 238 S HA 0.403 4.873 4.470 -0.000 0.000 0.272 238 S C -1.500 173.115 174.600 0.025 0.000 1.149 238 S CA -0.709 57.517 58.200 0.042 0.000 0.888 238 S CB 1.908 65.138 63.200 0.049 0.000 1.110 238 S HN 0.032 nan 8.310 nan 0.000 0.463 239 V N 2.058 121.971 119.914 -0.001 0.000 2.577 239 V HA 0.869 4.989 4.120 -0.000 0.000 0.303 239 V C -1.403 174.677 176.094 -0.024 0.000 1.042 239 V CA -0.720 61.554 62.300 -0.044 0.000 0.872 239 V CB 1.801 33.545 31.823 -0.133 0.000 0.998 239 V HN 0.714 nan 8.190 nan 0.000 0.423 240 K N 4.374 124.782 120.400 0.015 0.000 2.535 240 K HA 0.551 4.871 4.320 -0.000 0.000 0.250 240 K C -1.404 175.329 176.600 0.221 0.000 0.948 240 K CA -0.256 56.132 56.287 0.168 0.000 0.796 240 K CB 2.354 35.056 32.500 0.337 0.000 1.216 240 K HN 0.713 nan 8.250 nan 0.000 0.432 241 F N 0.976 121.063 119.950 0.227 0.000 2.412 241 F HA 0.139 4.666 4.527 -0.000 0.000 0.348 241 F C 1.634 177.343 175.800 -0.151 0.000 1.102 241 F CA 0.163 58.221 58.000 0.097 0.000 1.196 241 F CB 1.121 40.144 39.000 0.038 0.000 1.144 241 F HN 0.344 nan 8.300 nan 0.000 0.541 242 S N 4.733 120.285 115.700 -0.246 0.000 2.576 242 S HA 0.165 4.635 4.470 -0.000 0.000 0.276 242 S C -1.172 173.167 174.600 -0.436 0.000 1.339 242 S CA -1.275 56.295 58.200 -1.050 0.000 1.039 242 S CB 0.791 63.572 63.200 -0.698 0.000 0.902 242 S HN 0.465 nan 8.310 nan 0.000 0.516 243 P HA -0.072 nan 4.420 nan 0.000 0.223 243 P C 0.056 177.280 177.300 -0.127 0.000 1.151 243 P CA 0.856 63.852 63.100 -0.172 0.000 0.787 243 P CB -0.079 31.547 31.700 -0.122 0.000 0.788 244 Q N -0.710 119.000 119.800 -0.151 0.000 2.301 244 Q HA 0.536 4.876 4.340 -0.000 0.000 0.267 244 Q C 0.349 176.314 176.000 -0.058 0.000 1.035 244 Q CA -0.557 55.197 55.803 -0.080 0.000 0.856 244 Q CB 1.787 30.490 28.738 -0.058 0.000 1.337 244 Q HN 0.068 nan 8.270 nan 0.000 0.450 245 G N 1.396 110.181 108.800 -0.026 0.000 2.641 245 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 245 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 245 G C -0.112 174.798 174.900 0.017 0.000 1.315 245 G CA -0.055 45.044 45.100 -0.002 0.000 0.907 245 G HN 1.504 nan 8.290 nan 0.000 0.572 246 S N -0.852 114.874 115.700 0.044 0.000 2.257 246 S HA 0.586 5.056 4.470 -0.000 0.000 0.191 246 S C -0.334 174.341 174.600 0.126 0.000 1.386 246 S CA 0.081 58.330 58.200 0.083 0.000 1.233 246 S CB 0.863 64.100 63.200 0.060 0.000 1.138 246 S HN 1.537 nan 8.310 nan 0.000 0.483 247 L N 2.068 123.375 121.223 0.139 0.000 2.346 247 L HA 0.880 5.220 4.340 -0.000 0.000 0.274 247 L C -1.302 175.707 176.870 0.231 0.000 1.007 247 L CA -0.959 53.981 54.840 0.167 0.000 0.818 247 L CB 1.991 44.130 42.059 0.133 0.000 1.284 247 L HN 0.539 nan 8.230 nan 0.000 0.424 248 L N 4.570 125.937 121.223 0.241 0.000 2.409 248 L HA 0.906 5.246 4.340 -0.000 0.000 0.272 248 L C -1.051 175.975 176.870 0.260 0.000 0.980 248 L CA -0.232 54.715 54.840 0.179 0.000 0.826 248 L CB 1.723 43.821 42.059 0.066 0.000 1.268 248 L HN 0.759 nan 8.230 nan 0.000 0.407 249 A N 6.052 129.029 122.820 0.262 0.000 2.304 249 A HA 0.835 5.155 4.320 -0.000 0.000 0.323 249 A C -0.957 176.724 177.584 0.162 0.000 1.195 249 A CA -0.510 51.650 52.037 0.205 0.000 0.826 249 A CB 0.594 19.652 19.000 0.097 0.000 1.184 249 A HN 0.558 nan 8.150 nan 0.000 0.496 250 I N 1.960 122.664 120.570 0.223 0.000 2.436 250 I HA 0.493 4.663 4.170 -0.000 0.000 0.289 250 I C 0.398 176.684 176.117 0.281 0.000 1.010 250 I CA -0.351 61.084 61.300 0.226 0.000 1.098 250 I CB 1.171 39.351 38.000 0.300 0.000 1.266 250 I HN 0.716 nan 8.210 nan 0.000 0.434 251 A N 6.622 129.560 122.820 0.197 0.000 2.290 251 A HA 0.765 5.085 4.320 -0.000 0.000 0.310 251 A C -0.632 177.112 177.584 0.267 0.000 1.202 251 A CA -0.187 51.953 52.037 0.172 0.000 0.837 251 A CB 0.219 19.263 19.000 0.072 0.000 1.139 251 A HN 0.955 nan 8.150 nan 0.000 0.509 252 H N -0.478 118.668 119.070 0.127 0.000 3.064 252 H HA 0.567 5.123 4.556 -0.000 0.000 0.352 252 H C -1.670 173.779 175.328 0.202 0.000 1.260 252 H CA -1.096 55.032 56.048 0.132 0.000 1.160 252 H CB 0.753 30.597 29.762 0.138 0.000 1.879 252 H HN 0.370 nan 8.280 nan 0.000 0.544 253 D N 0.936 121.466 120.400 0.218 0.000 2.382 253 D HA 0.319 4.959 4.640 -0.000 0.000 0.245 253 D C -0.344 176.145 176.300 0.315 0.000 1.120 253 D CA -0.004 54.168 54.000 0.286 0.000 0.890 253 D CB 1.563 42.392 40.800 0.048 0.000 1.201 253 D HN 0.465 nan 8.370 nan 0.000 0.433 254 S N 1.699 117.621 115.700 0.370 0.000 2.571 254 S HA 0.202 4.672 4.470 -0.000 0.000 0.238 254 S C -0.760 174.048 174.600 0.346 0.000 1.153 254 S CA -0.757 57.659 58.200 0.359 0.000 1.141 254 S CB -0.756 62.703 63.200 0.432 0.000 1.133 254 S HN 0.545 nan 8.310 nan 0.000 0.464 255 N N 3.453 122.323 118.700 0.283 0.000 2.688 255 N HA -0.255 4.485 4.740 -0.000 0.000 0.258 255 N C 0.438 176.046 175.510 0.163 0.000 1.016 255 N CA 0.659 53.848 53.050 0.232 0.000 0.747 255 N CB -1.258 37.367 38.487 0.229 0.000 0.895 255 N HN 1.236 nan 8.380 nan 0.000 0.543 256 S N -3.449 112.343 115.700 0.153 0.000 2.427 256 S HA -0.274 4.196 4.470 -0.000 0.000 0.253 256 S C 0.161 174.247 174.600 -0.856 0.000 1.246 256 S CA 1.207 59.189 58.200 -0.363 0.000 1.421 256 S CB -1.713 61.199 63.200 -0.480 0.000 1.769 256 S HN 0.414 nan 8.310 nan 0.000 0.620 257 F N 1.676 121.373 119.950 -0.422 0.000 2.457 257 F HA 0.780 5.307 4.527 0.000 0.000 0.330 257 F C 1.306 177.024 175.800 -0.136 0.000 1.069 257 F CA -0.158 57.520 58.000 -0.536 0.000 1.009 257 F CB 0.915 39.104 39.000 -1.352 0.000 1.276 257 F HN 0.287 nan 8.300 nan 0.000 0.492 258 G N 0.246 109.165 108.800 0.199 0.000 2.417 258 G HA2 0.531 4.491 3.960 -0.000 0.000 0.320 258 G HA3 0.531 4.491 3.960 -0.000 0.000 0.320 258 G C -1.565 173.491 174.900 0.260 0.000 1.204 258 G CA -0.374 44.877 45.100 0.252 0.000 0.923 258 G HN 0.735 nan 8.290 nan 0.000 0.466 259 C N 1.607 120.942 119.300 0.058 0.000 2.562 259 C HA 0.721 5.181 4.460 -0.000 0.000 0.332 259 C C -0.031 174.861 174.990 -0.164 0.000 1.201 259 C CA -0.528 58.432 59.018 -0.096 0.000 1.803 259 C CB 1.043 28.549 27.740 -0.390 0.000 2.328 259 C HN 0.602 nan 8.230 nan 0.000 0.500 260 I N 1.777 122.286 120.570 -0.103 0.000 2.500 260 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 260 I C -0.399 175.717 176.117 -0.002 0.000 1.063 260 I CA 0.223 61.490 61.300 -0.055 0.000 1.062 260 I CB 1.788 39.645 38.000 -0.238 0.000 1.223 260 I HN 0.586 nan 8.210 nan 0.000 0.435 261 T N 6.701 121.374 114.554 0.198 0.000 2.855 261 T HA 0.644 4.994 4.350 -0.000 0.000 0.281 261 T C -0.243 174.485 174.700 0.048 0.000 1.007 261 T CA -0.541 61.626 62.100 0.112 0.000 1.009 261 T CB 1.663 70.687 68.868 0.260 0.000 0.983 261 T HN 0.260 nan 8.240 nan 0.000 0.455 262 L N 2.967 124.091 121.223 -0.165 0.000 2.317 262 L HA 0.620 4.960 4.340 -0.000 0.000 0.281 262 L C -1.183 175.487 176.870 -0.334 0.000 1.024 262 L CA -0.974 53.812 54.840 -0.090 0.000 0.810 262 L CB 0.945 42.969 42.059 -0.059 0.000 1.240 262 L HN 0.631 nan 8.230 nan 0.000 0.427 263 Y N 0.054 120.346 120.300 -0.014 0.000 2.477 263 Y HA 0.340 4.890 4.550 -0.000 0.000 0.347 263 Y C -0.204 175.694 175.900 -0.004 0.000 0.981 263 Y CA -1.299 56.753 58.100 -0.081 0.000 1.033 263 Y CB 1.891 40.232 38.460 -0.198 0.000 1.245 263 Y HN 0.548 nan 8.280 nan 0.000 0.455 264 E N -1.311 118.962 120.200 0.121 0.000 2.249 264 E HA 0.286 4.636 4.350 -0.000 0.000 0.280 264 E C 0.432 177.126 176.600 0.156 0.000 1.016 264 E CA -0.564 55.906 56.400 0.117 0.000 0.830 264 E CB 1.175 30.919 29.700 0.074 0.000 1.081 264 E HN 0.618 nan 8.360 nan 0.000 0.395 265 T N -0.671 113.994 114.554 0.185 0.000 3.129 265 T HA -0.010 4.340 4.350 -0.000 0.000 0.251 265 T C 1.207 176.012 174.700 0.175 0.000 1.117 265 T CA 0.567 62.828 62.100 0.268 0.000 1.034 265 T CB -0.136 68.939 68.868 0.346 0.000 0.968 265 T HN 0.617 nan 8.240 nan 0.000 0.526 266 E N 0.320 120.500 120.200 -0.034 0.000 2.072 266 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 266 E C 0.556 176.801 176.600 -0.593 0.000 0.982 266 E CA 1.051 57.243 56.400 -0.346 0.000 0.803 266 E CB 0.006 29.377 29.700 -0.548 0.000 0.755 266 E HN 0.658 nan 8.360 nan 0.000 0.453 267 F N -1.690 118.174 119.950 -0.144 0.000 2.746 267 F HA 0.384 4.911 4.527 -0.000 0.000 0.320 267 F C 1.120 176.440 175.800 -0.800 0.000 1.097 267 F CA 0.279 58.019 58.000 -0.433 0.000 1.195 267 F CB 1.596 40.459 39.000 -0.228 0.000 1.056 267 F HN 0.150 nan 8.300 nan 0.000 0.562 268 G N 1.263 109.839 108.800 -0.372 0.000 2.137 268 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.237 268 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.237 268 G C 0.121 174.916 174.900 -0.174 0.000 1.002 268 G CA 0.145 45.085 45.100 -0.266 0.000 0.702 268 G HN 0.400 nan 8.290 nan 0.000 0.515 269 E N 0.296 120.463 120.200 -0.056 0.000 2.360 269 E HA 0.283 4.633 4.350 -0.000 0.000 0.269 269 E C 0.907 177.444 176.600 -0.106 0.000 1.022 269 E CA -0.750 55.614 56.400 -0.059 0.000 0.887 269 E CB 0.361 30.040 29.700 -0.036 0.000 0.990 269 E HN 0.380 nan 8.360 nan 0.000 0.426 270 R N 4.947 125.309 120.500 -0.230 0.000 2.401 270 R HA 0.061 4.401 4.340 -0.000 0.000 0.299 270 R C 0.747 176.836 176.300 -0.353 0.000 1.064 270 R CA 0.178 55.910 56.100 -0.613 0.000 1.000 270 R CB 0.132 30.143 30.300 -0.482 0.000 0.973 270 R HN 0.699 nan 8.270 nan 0.000 0.438 271 I N 0.634 120.993 120.570 -0.351 0.000 4.227 271 I HA 0.491 4.661 4.170 -0.000 0.000 0.334 271 I C 0.443 176.464 176.117 -0.159 0.000 1.341 271 I CA -0.205 60.985 61.300 -0.184 0.000 1.123 271 I CB 1.099 39.037 38.000 -0.103 0.000 1.097 271 I HN 0.670 nan 8.210 nan 0.000 0.399 272 G N 0.861 109.534 108.800 -0.212 0.000 2.322 272 G HA2 0.498 4.458 3.960 -0.000 0.000 0.295 272 G HA3 0.498 4.458 3.960 -0.000 0.000 0.295 272 G C -1.479 173.319 174.900 -0.170 0.000 1.369 272 G CA 0.053 45.062 45.100 -0.152 0.000 0.821 272 G HN 0.405 nan 8.290 nan 0.000 0.536 273 S N -1.384 114.231 115.700 -0.141 0.000 2.607 273 S HA 0.820 5.290 4.470 -0.000 0.000 0.273 273 S C -1.245 173.231 174.600 -0.206 0.000 1.148 273 S CA -0.893 57.213 58.200 -0.157 0.000 0.833 273 S CB 1.765 64.887 63.200 -0.131 0.000 1.130 273 S HN 0.888 nan 8.310 nan 0.000 0.470 274 L N 2.457 123.476 121.223 -0.340 0.000 2.333 274 L HA 0.809 5.148 4.340 -0.000 0.000 0.280 274 L C -0.250 176.330 176.870 -0.484 0.000 1.004 274 L CA -0.416 54.062 54.840 -0.602 0.000 0.820 274 L CB 1.791 43.072 42.059 -1.296 0.000 1.247 274 L HN 1.048 nan 8.230 nan 0.000 0.416 275 S N 1.732 117.369 115.700 -0.105 0.000 2.565 275 S HA 0.732 5.202 4.470 -0.000 0.000 0.269 275 S C -0.856 173.966 174.600 0.371 0.000 1.153 275 S CA -0.872 57.428 58.200 0.166 0.000 0.835 275 S CB 1.918 65.121 63.200 0.005 0.000 1.122 275 S HN 0.371 nan 8.310 nan 0.000 0.462 276 V N -0.641 119.460 119.914 0.312 0.000 2.483 276 V HA 0.723 4.843 4.120 -0.000 0.000 0.295 276 V C -2.406 173.747 176.094 0.097 0.000 1.035 276 V CA -1.951 60.453 62.300 0.173 0.000 0.896 276 V CB -0.177 31.692 31.823 0.078 0.000 0.986 276 V HN 0.873 nan 8.190 nan 0.000 0.447 287 E N -1.644 118.428 120.200 -0.213 0.000 1.964 287 E HA 0.140 4.490 4.350 -0.000 0.000 0.242 287 E C -0.799 175.213 176.600 -0.980 0.000 1.079 287 E CA 0.485 56.530 56.400 -0.591 0.000 1.600 287 E CB 0.546 29.949 29.700 -0.495 0.000 3.831 287 E HN 0.349 nan 8.360 nan 0.000 0.963 288 F N -0.412 119.498 119.950 -0.066 0.000 2.613 288 F HA 0.614 5.141 4.527 0.000 0.000 0.314 288 F C 1.063 176.925 175.800 0.104 0.000 1.075 288 F CA -0.218 57.781 58.000 -0.002 0.000 0.945 288 F CB 1.443 40.453 39.000 0.015 0.000 1.310 288 F HN 0.003 nan 8.300 nan 0.000 0.467 289 A N -0.283 122.740 122.820 0.339 0.000 1.898 289 A HA 0.088 4.408 4.320 -0.000 0.000 0.214 289 A C 0.396 178.246 177.584 0.443 0.000 1.183 289 A CA 1.220 53.502 52.037 0.407 0.000 0.622 289 A CB -0.354 18.817 19.000 0.285 0.000 0.824 289 A HN 0.712 nan 8.150 nan 0.000 0.444 290 H N -1.810 117.427 119.070 0.278 0.000 2.895 290 H HA 0.234 4.790 4.556 -0.000 0.000 0.373 290 H C 0.687 176.105 175.328 0.151 0.000 1.174 290 H CA 0.119 56.278 56.048 0.185 0.000 1.144 290 H CB 1.902 31.741 29.762 0.128 0.000 1.793 290 H HN 0.353 nan 8.280 nan 0.000 0.551 291 S N 0.873 116.674 115.700 0.168 0.000 2.515 291 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 291 S C 0.945 175.408 174.600 -0.228 0.000 0.987 291 S CA 0.678 58.896 58.200 0.031 0.000 0.936 291 S CB 0.250 63.440 63.200 -0.016 0.000 0.766 291 S HN 0.388 nan 8.310 nan 0.000 0.528 292 S N -0.881 114.719 115.700 -0.167 0.000 2.911 292 S HA 0.608 5.078 4.470 -0.000 0.000 0.319 292 S C -1.501 172.940 174.600 -0.265 0.000 1.154 292 S CA -1.327 56.592 58.200 -0.468 0.000 0.857 292 S CB 0.099 63.073 63.200 -0.377 0.000 1.279 292 S HN 0.545 nan 8.310 nan 0.000 0.593 293 W N 1.213 122.557 121.300 0.075 0.000 2.209 293 W HA 0.385 5.045 4.660 -0.000 0.000 0.344 293 W C -0.223 176.280 176.519 -0.027 0.000 1.285 293 W CA -0.793 56.556 57.345 0.007 0.000 1.267 293 W CB 0.096 29.508 29.460 -0.081 0.000 1.167 293 W HN 0.179 nan 8.180 nan 0.000 0.574 294 V N 5.640 125.660 119.914 0.178 0.000 2.368 294 V HA -0.027 4.093 4.120 -0.000 0.000 0.266 294 V C 1.005 177.131 176.094 0.053 0.000 1.045 294 V CA -0.410 61.860 62.300 -0.049 0.000 0.899 294 V CB 0.947 32.738 31.823 -0.053 0.000 1.006 294 V HN 0.689 nan 8.190 nan 0.000 0.470 295 M N 2.254 121.884 119.600 0.050 0.000 2.334 295 M HA 0.142 4.622 4.480 -0.000 0.000 0.266 295 M C 0.854 177.200 176.300 0.076 0.000 1.082 295 M CA 0.884 56.245 55.300 0.102 0.000 1.141 295 M CB -0.041 32.666 32.600 0.178 0.000 1.380 295 M HN 0.631 nan 8.290 nan 0.000 0.440 296 S N -0.779 114.937 115.700 0.028 0.000 2.615 296 S HA 0.779 5.249 4.470 -0.000 0.000 0.269 296 S C -1.700 172.888 174.600 -0.020 0.000 1.161 296 S CA -0.763 57.451 58.200 0.024 0.000 0.817 296 S CB 1.428 64.653 63.200 0.041 0.000 1.131 296 S HN 0.192 nan 8.310 nan 0.000 0.467 297 L N 1.552 122.769 121.223 -0.010 0.000 2.393 297 L HA 0.812 5.152 4.340 -0.000 0.000 0.260 297 L C -0.801 176.065 176.870 -0.005 0.000 1.002 297 L CA -0.693 54.119 54.840 -0.047 0.000 0.818 297 L CB 2.276 44.291 42.059 -0.072 0.000 1.369 297 L HN 0.602 nan 8.230 nan 0.000 0.412 298 S N 0.844 116.537 115.700 -0.011 0.000 2.603 298 S HA 0.615 5.085 4.470 -0.000 0.000 0.274 298 S C -1.243 173.542 174.600 0.307 0.000 1.168 298 S CA -0.464 57.837 58.200 0.168 0.000 0.963 298 S CB 0.730 64.031 63.200 0.169 0.000 1.078 298 S HN 0.337 nan 8.310 nan 0.000 0.477 299 F N 4.396 124.531 119.950 0.307 0.000 2.375 299 F HA 0.389 4.916 4.527 -0.000 0.000 0.333 299 F C 1.284 177.100 175.800 0.027 0.000 1.104 299 F CA -0.391 57.731 58.000 0.205 0.000 1.149 299 F CB 0.950 40.019 39.000 0.115 0.000 1.190 299 F HN 0.706 nan 8.300 nan 0.000 0.533 300 N N 0.777 119.326 118.700 -0.252 0.000 2.327 300 N HA -0.026 4.714 4.740 -0.000 0.000 0.257 300 N C 0.488 175.840 175.510 -0.263 0.000 1.281 300 N CA -0.218 52.285 53.050 -0.912 0.000 0.942 300 N CB 0.066 37.832 38.487 -1.202 0.000 1.199 300 N HN 0.702 nan 8.380 nan 0.000 0.532 301 D N -0.800 119.451 120.400 -0.249 0.000 2.123 301 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 301 D C 1.614 177.865 176.300 -0.081 0.000 0.992 301 D CA 2.444 56.368 54.000 -0.126 0.000 0.833 301 D CB -0.104 40.617 40.800 -0.131 0.000 0.954 301 D HN 0.633 nan 8.370 nan 0.000 0.455 302 S N -1.811 113.843 115.700 -0.076 0.000 2.470 302 S HA 0.187 4.657 4.470 -0.000 0.000 0.225 302 S C 1.948 176.527 174.600 -0.035 0.000 1.006 302 S CA 0.830 59.004 58.200 -0.043 0.000 0.934 302 S CB 0.186 63.370 63.200 -0.025 0.000 0.778 302 S HN 0.536 nan 8.310 nan 0.000 0.517 303 G N 1.016 109.812 108.800 -0.007 0.000 2.175 303 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 303 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 303 G C 0.525 175.533 174.900 0.179 0.000 0.982 303 G CA 0.348 45.469 45.100 0.034 0.000 0.641 303 G HN 0.554 nan 8.290 nan 0.000 0.527 304 E N -0.131 120.144 120.200 0.125 0.000 2.285 304 E HA 0.095 4.445 4.350 -0.000 0.000 0.194 304 E C 0.617 177.344 176.600 0.212 0.000 0.997 304 E CA 1.176 57.664 56.400 0.146 0.000 0.845 304 E CB 0.163 29.917 29.700 0.091 0.000 0.782 304 E HN 0.451 nan 8.360 nan 0.000 0.491 305 T N 0.825 115.515 114.554 0.226 0.000 2.861 305 T HA 0.471 4.821 4.350 -0.000 0.000 0.287 305 T C -1.153 173.738 174.700 0.318 0.000 1.003 305 T CA -0.659 61.615 62.100 0.290 0.000 0.977 305 T CB 1.882 70.946 68.868 0.327 0.000 0.996 305 T HN -0.099 nan 8.240 nan 0.000 0.448 306 L N 2.859 124.263 121.223 0.301 0.000 2.356 306 L HA 0.740 5.080 4.340 -0.000 0.000 0.277 306 L C -0.681 176.329 176.870 0.234 0.000 0.996 306 L CA -0.584 54.309 54.840 0.089 0.000 0.822 306 L CB 1.182 43.094 42.059 -0.245 0.000 1.256 306 L HN 0.881 nan 8.230 nan 0.000 0.413 307 C N 4.089 123.462 119.300 0.121 0.000 2.341 307 C HA 0.895 5.355 4.460 -0.000 0.000 0.338 307 C C 0.181 175.067 174.990 -0.174 0.000 1.257 307 C CA -0.104 58.753 59.018 -0.269 0.000 1.883 307 C CB 0.264 27.606 27.740 -0.664 0.000 2.334 307 C HN 0.951 nan 8.230 nan 0.000 0.524 308 S N 4.541 120.177 115.700 -0.107 0.000 2.482 308 S HA 0.823 5.293 4.470 -0.000 0.000 0.303 308 S C -0.598 173.934 174.600 -0.114 0.000 1.091 308 S CA -0.500 57.700 58.200 -0.001 0.000 1.057 308 S CB 1.653 65.034 63.200 0.302 0.000 1.031 308 S HN 1.440 nan 8.310 nan 0.000 0.485 309 A N 2.193 124.914 122.820 -0.166 0.000 2.288 309 A HA 0.823 5.143 4.320 -0.000 0.000 0.320 309 A C 0.399 177.846 177.584 -0.228 0.000 1.217 309 A CA -0.489 51.454 52.037 -0.157 0.000 0.840 309 A CB 0.430 19.373 19.000 -0.095 0.000 1.179 309 A HN 1.281 nan 8.150 nan 0.000 0.504 310 G N 0.194 108.871 108.800 -0.204 0.000 2.432 310 G HA2 0.418 4.378 3.960 -0.000 0.000 0.331 310 G HA3 0.418 4.378 3.960 -0.000 0.000 0.331 310 G C 0.391 175.344 174.900 0.089 0.000 1.170 310 G CA -0.571 44.423 45.100 -0.175 0.000 0.943 310 G HN 0.942 nan 8.290 nan 0.000 0.483 311 W N 1.843 123.091 121.300 -0.087 0.000 2.825 311 W HA -0.060 4.600 4.660 -0.000 0.000 0.243 311 W C 0.868 177.311 176.519 -0.126 0.000 1.293 311 W CA 0.970 58.260 57.345 -0.091 0.000 1.403 311 W CB 0.469 29.918 29.460 -0.018 0.000 1.134 311 W HN 0.723 nan 8.180 nan 0.000 0.666 312 D N -0.752 119.656 120.400 0.014 0.000 2.349 312 D HA 0.054 4.694 4.640 -0.000 0.000 0.224 312 D C 1.593 177.836 176.300 -0.095 0.000 1.029 312 D CA 0.900 54.858 54.000 -0.070 0.000 0.879 312 D CB -0.681 40.127 40.800 0.013 0.000 0.906 312 D HN 0.156 nan 8.370 nan 0.000 0.528 313 G N 0.141 108.872 108.800 -0.115 0.000 2.137 313 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.237 313 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.237 313 G C -0.055 174.791 174.900 -0.091 0.000 1.002 313 G CA 0.129 45.149 45.100 -0.134 0.000 0.702 313 G HN 0.475 nan 8.290 nan 0.000 0.515 314 K N -0.520 119.869 120.400 -0.018 0.000 2.318 314 K HA 0.721 5.041 4.320 -0.000 0.000 0.249 314 K C -0.290 176.309 176.600 -0.002 0.000 0.942 314 K CA -0.909 55.361 56.287 -0.029 0.000 0.808 314 K CB 2.179 34.654 32.500 -0.042 0.000 1.189 314 K HN 0.093 nan 8.250 nan 0.000 0.428 315 L N 3.028 124.166 121.223 -0.141 0.000 2.305 315 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 315 L C -0.149 176.492 176.870 -0.382 0.000 1.013 315 L CA -0.682 53.972 54.840 -0.309 0.000 0.819 315 L CB 1.281 43.040 42.059 -0.500 0.000 1.227 315 L HN 0.407 nan 8.230 nan 0.000 0.417 316 R N 2.909 123.163 120.500 -0.411 0.000 2.589 316 R HA 0.590 4.930 4.340 -0.000 0.000 0.293 316 R C -1.462 174.357 176.300 -0.802 0.000 0.963 316 R CA -0.667 55.107 56.100 -0.543 0.000 0.905 316 R CB 2.103 32.032 30.300 -0.617 0.000 1.144 316 R HN 0.278 nan 8.270 nan 0.000 0.459 317 F N 1.699 121.352 119.950 -0.494 0.000 2.426 317 F HA 0.381 4.908 4.527 -0.000 0.000 0.348 317 F C -0.593 175.027 175.800 -0.300 0.000 1.124 317 F CA -0.661 57.187 58.000 -0.253 0.000 1.008 317 F CB 1.053 39.993 39.000 -0.100 0.000 1.139 317 F HN 0.344 nan 8.300 nan 0.000 0.452 318 W N 1.868 123.272 121.300 0.173 0.000 2.573 318 W HA 0.373 5.033 4.660 -0.000 0.000 0.326 318 W C -0.591 176.016 176.519 0.147 0.000 1.049 318 W CA -0.868 56.552 57.345 0.124 0.000 1.220 318 W CB 1.176 30.670 29.460 0.056 0.000 1.373 318 W HN 0.376 nan 8.180 nan 0.000 0.507 319 D N 1.712 122.325 120.400 0.355 0.000 2.339 319 D HA 0.170 4.810 4.640 -0.000 0.000 0.241 319 D C 0.777 177.226 176.300 0.249 0.000 1.183 319 D CA -0.089 54.065 54.000 0.257 0.000 0.859 319 D CB 1.458 42.367 40.800 0.182 0.000 1.067 319 D HN 0.189 nan 8.370 nan 0.000 0.484 320 V N 4.688 124.745 119.914 0.237 0.000 2.287 320 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 320 V C 2.304 178.485 176.094 0.146 0.000 1.053 320 V CA 1.608 64.031 62.300 0.206 0.000 1.027 320 V CB -0.542 31.439 31.823 0.263 0.000 0.646 320 V HN 0.626 nan 8.190 nan 0.000 0.447 321 K N 0.589 121.066 120.400 0.128 0.000 2.009 321 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 321 K C 2.148 178.797 176.600 0.081 0.000 1.049 321 K CA 2.123 58.465 56.287 0.091 0.000 0.929 321 K CB -0.526 32.020 32.500 0.078 0.000 0.714 321 K HN 0.710 nan 8.250 nan 0.000 0.440 322 T N -1.756 112.855 114.554 0.095 0.000 3.100 322 T HA 0.123 4.472 4.350 -0.000 0.000 0.253 322 T C 0.359 175.119 174.700 0.100 0.000 1.118 322 T CA -0.034 62.118 62.100 0.086 0.000 1.058 322 T CB -0.037 68.883 68.868 0.086 0.000 0.953 322 T HN 0.150 nan 8.240 nan 0.000 0.515 323 K N 0.673 121.148 120.400 0.125 0.000 3.129 323 K HA -0.122 4.198 4.320 -0.000 0.000 0.273 323 K C -0.672 176.064 176.600 0.226 0.000 1.123 323 K CA 0.622 56.988 56.287 0.132 0.000 0.800 323 K CB -0.871 31.660 32.500 0.052 0.000 1.238 323 K HN 0.461 nan 8.250 nan 0.000 0.492 324 E N 0.987 121.346 120.200 0.264 0.000 2.207 324 E HA 0.236 4.586 4.350 -0.000 0.000 0.270 324 E C -0.260 176.527 176.600 0.311 0.000 0.927 324 E CA -0.799 55.763 56.400 0.270 0.000 0.799 324 E CB 1.376 31.163 29.700 0.144 0.000 1.172 324 E HN 0.092 nan 8.360 nan 0.000 0.404 325 R N 3.481 124.065 120.500 0.140 0.000 2.316 325 R HA 0.149 4.489 4.340 -0.000 0.000 0.314 325 R C 0.713 176.935 176.300 -0.130 0.000 1.069 325 R CA 0.123 56.030 56.100 -0.321 0.000 0.959 325 R CB -0.073 29.816 30.300 -0.686 0.000 0.987 325 R HN 0.604 nan 8.270 nan 0.000 0.446 326 I N 1.697 122.225 120.570 -0.070 0.000 2.339 326 I HA -0.018 4.152 4.170 -0.000 0.000 0.245 326 I C 1.171 177.277 176.117 -0.018 0.000 1.096 326 I CA 0.750 62.055 61.300 0.009 0.000 1.408 326 I CB -0.012 38.042 38.000 0.090 0.000 1.092 326 I HN 0.537 nan 8.210 nan 0.000 0.423 327 T N -0.784 113.765 114.554 -0.009 0.000 2.821 327 T HA 0.440 4.790 4.350 -0.000 0.000 0.306 327 T C -1.216 173.500 174.700 0.027 0.000 1.313 327 T CA -0.388 61.713 62.100 0.001 0.000 1.012 327 T CB 1.938 70.814 68.868 0.015 0.000 1.298 327 T HN -0.037 nan 8.240 nan 0.000 0.502 328 T N 2.803 117.354 114.554 -0.005 0.000 2.881 328 T HA 0.621 4.971 4.350 -0.000 0.000 0.290 328 T C -1.004 173.691 174.700 -0.007 0.000 1.000 328 T CA -0.537 61.541 62.100 -0.038 0.000 0.978 328 T CB 0.881 69.668 68.868 -0.135 0.000 0.997 328 T HN 0.439 nan 8.240 nan 0.000 0.443 329 L N 3.518 124.737 121.223 -0.005 0.000 2.322 329 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 329 L C -0.045 176.751 176.870 -0.123 0.000 1.014 329 L CA -1.020 53.789 54.840 -0.051 0.000 0.815 329 L CB 1.197 43.205 42.059 -0.085 0.000 1.247 329 L HN 0.527 nan 8.230 nan 0.000 0.421 330 N N 4.810 123.410 118.700 -0.166 0.000 2.439 330 N HA 0.334 5.074 4.740 -0.000 0.000 0.249 330 N C -0.554 174.662 175.510 -0.489 0.000 1.003 330 N CA -0.542 52.333 53.050 -0.292 0.000 0.942 330 N CB 1.642 39.958 38.487 -0.284 0.000 1.115 330 N HN 0.416 nan 8.380 nan 0.000 0.505 331 M N 2.191 121.594 119.600 -0.328 0.000 2.217 331 M HA 0.188 4.668 4.480 -0.000 0.000 0.354 331 M C 0.032 176.166 176.300 -0.276 0.000 1.225 331 M CA 0.161 55.316 55.300 -0.242 0.000 1.137 331 M CB -0.284 32.249 32.600 -0.111 0.000 1.576 331 M HN 0.400 nan 8.290 nan 0.000 0.461 332 H N 0.219 119.285 119.070 -0.008 0.000 2.717 332 H HA 0.226 4.782 4.556 -0.000 0.000 0.366 332 H C 0.982 176.295 175.328 -0.024 0.000 1.132 332 H CA -1.174 54.859 56.048 -0.025 0.000 1.180 332 H CB 1.618 31.372 29.762 -0.013 0.000 1.678 332 H HN 0.972 nan 8.280 nan 0.000 0.537 333 C N 0.379 119.734 119.300 0.093 0.000 2.411 333 C HA -0.142 4.318 4.460 -0.000 0.000 0.279 333 C C 1.707 176.722 174.990 0.041 0.000 1.288 333 C CA 0.954 59.994 59.018 0.036 0.000 1.764 333 C CB -0.566 27.177 27.740 0.006 0.000 1.974 333 C HN 0.893 nan 8.230 nan 0.000 0.498 334 D N 0.151 120.583 120.400 0.053 0.000 2.323 334 D HA -0.031 4.609 4.640 -0.000 0.000 0.239 334 D C 0.682 177.014 176.300 0.054 0.000 1.129 334 D CA 0.273 54.295 54.000 0.037 0.000 0.865 334 D CB -0.625 40.183 40.800 0.012 0.000 0.913 334 D HN 0.439 nan 8.370 nan 0.000 0.517 335 D N 0.539 120.983 120.400 0.073 0.000 2.277 335 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 335 D C 0.922 177.239 176.300 0.029 0.000 0.962 335 D CA 0.085 54.123 54.000 0.063 0.000 0.865 335 D CB 0.361 41.200 40.800 0.064 0.000 0.939 335 D HN 0.266 nan 8.370 nan 0.000 0.510 336 I N 2.173 122.756 120.570 0.021 0.000 2.662 336 I HA -0.085 4.085 4.170 -0.000 0.000 0.285 336 I C 1.653 177.778 176.117 0.013 0.000 1.161 336 I CA 0.269 61.576 61.300 0.011 0.000 1.415 336 I CB 0.134 38.141 38.000 0.011 0.000 1.385 336 I HN 0.009 nan 8.210 nan 0.000 0.552 337 E N 5.552 125.758 120.200 0.010 0.000 2.110 337 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 337 E C 0.375 176.982 176.600 0.011 0.000 0.988 337 E CA 1.014 57.420 56.400 0.010 0.000 0.804 337 E CB 0.138 29.843 29.700 0.008 0.000 0.745 337 E HN 0.524 nan 8.360 nan 0.000 0.458 338 I N 2.441 123.019 120.570 0.014 0.000 2.308 338 I HA -0.046 4.124 4.170 -0.000 0.000 0.293 338 I C 1.655 177.778 176.117 0.011 0.000 1.078 338 I CA -0.169 61.139 61.300 0.013 0.000 1.292 338 I CB 0.921 38.931 38.000 0.017 0.000 1.423 338 I HN 0.043 nan 8.210 nan 0.000 0.493 339 E N 4.944 125.149 120.200 0.008 0.000 2.130 339 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 339 E C 1.215 177.818 176.600 0.006 0.000 0.998 339 E CA 1.815 58.219 56.400 0.006 0.000 0.806 339 E CB 0.384 30.086 29.700 0.003 0.000 0.738 339 E HN 0.629 nan 8.360 nan 0.000 0.459 340 E N 0.602 120.806 120.200 0.006 0.000 2.409 340 E HA -0.087 4.262 4.350 -0.000 0.000 0.198 340 E C 0.932 177.537 176.600 0.008 0.000 1.024 340 E CA 0.819 57.221 56.400 0.005 0.000 0.861 340 E CB -0.016 29.686 29.700 0.003 0.000 0.788 340 E HN 0.247 nan 8.360 nan 0.000 0.521 341 D N -0.357 120.050 120.400 0.012 0.000 2.340 341 D HA 0.107 4.747 4.640 -0.000 0.000 0.217 341 D C 0.152 176.462 176.300 0.015 0.000 1.081 341 D CA -0.051 53.959 54.000 0.017 0.000 0.842 341 D CB 0.321 41.136 40.800 0.025 0.000 0.934 341 D HN 0.202 nan 8.370 nan 0.000 0.511 342 I N 1.404 121.981 120.570 0.011 0.000 2.556 342 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 342 I C 0.018 176.140 176.117 0.007 0.000 1.114 342 I CA -0.339 60.966 61.300 0.009 0.000 1.418 342 I CB 0.939 38.943 38.000 0.006 0.000 1.394 342 I HN -0.201 nan 8.210 nan 0.000 0.552 343 L N 7.363 128.590 121.223 0.007 0.000 2.337 343 L HA 0.451 4.790 4.340 -0.000 0.000 0.269 343 L C 0.759 177.628 176.870 -0.001 0.000 1.018 343 L CA 0.182 55.025 54.840 0.006 0.000 0.876 343 L CB 1.093 43.159 42.059 0.011 0.000 1.236 343 L HN 0.692 nan 8.230 nan 0.000 0.436 344 A N 4.084 126.902 122.820 -0.004 0.000 2.123 344 A HA 0.368 4.688 4.320 -0.000 0.000 0.214 344 A C 0.529 178.106 177.584 -0.012 0.000 1.152 344 A CA 1.028 53.059 52.037 -0.010 0.000 0.728 344 A CB -0.151 18.842 19.000 -0.012 0.000 0.814 344 A HN 0.783 nan 8.150 nan 0.000 0.464 345 V N -1.832 118.080 119.914 -0.004 0.000 3.007 345 V HA 0.610 4.729 4.120 -0.000 0.000 0.311 345 V C -0.924 175.179 176.094 0.014 0.000 1.120 345 V CA -0.818 61.483 62.300 0.003 0.000 0.980 345 V CB 1.754 33.581 31.823 0.008 0.000 1.033 345 V HN 0.341 nan 8.190 nan 0.000 0.429 346 D N 1.421 121.838 120.400 0.027 0.000 2.425 346 D HA 0.211 4.851 4.640 -0.000 0.000 0.274 346 D C 0.825 177.162 176.300 0.062 0.000 1.242 346 D CA -0.120 53.907 54.000 0.045 0.000 1.060 346 D CB 0.349 41.181 40.800 0.053 0.000 1.112 346 D HN 0.606 nan 8.370 nan 0.000 0.561 347 E N -1.706 118.541 120.200 0.079 0.000 2.418 347 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 347 E C 1.161 177.810 176.600 0.082 0.000 1.026 347 E CA 0.623 57.066 56.400 0.071 0.000 0.862 347 E CB -0.208 29.536 29.700 0.073 0.000 0.799 347 E HN 0.519 nan 8.360 nan 0.000 0.518 348 H N -0.093 118.989 119.070 0.021 0.000 2.529 348 H HA 0.095 4.651 4.556 -0.000 0.000 0.277 348 H C 1.031 176.365 175.328 0.009 0.000 1.004 348 H CA 0.876 56.935 56.048 0.018 0.000 1.167 348 H CB 0.403 30.179 29.762 0.024 0.000 1.445 348 H HN 0.271 nan 8.280 nan 0.000 0.554 349 G N 1.430 110.272 108.800 0.070 0.000 2.179 349 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.260 349 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.260 349 G C -0.220 174.726 174.900 0.077 0.000 0.977 349 G CA 0.373 45.496 45.100 0.039 0.000 0.641 349 G HN 0.453 nan 8.290 nan 0.000 0.533 350 D N 0.607 121.083 120.400 0.127 0.000 2.302 350 D HA 0.447 5.087 4.640 -0.000 0.000 0.248 350 D C 0.738 177.049 176.300 0.017 0.000 1.094 350 D CA 0.433 54.478 54.000 0.075 0.000 0.897 350 D CB 1.505 42.343 40.800 0.064 0.000 1.200 350 D HN 0.181 nan 8.370 nan 0.000 0.429 351 S N 1.264 116.960 115.700 -0.007 0.000 2.552 351 S HA 0.032 4.501 4.470 -0.000 0.000 0.289 351 S C 0.718 175.287 174.600 -0.051 0.000 1.304 351 S CA -0.237 57.946 58.200 -0.028 0.000 1.063 351 S CB 0.118 63.295 63.200 -0.037 0.000 0.848 351 S HN 0.353 nan 8.310 nan 0.000 0.499 352 L N 4.740 125.933 121.223 -0.050 0.000 3.062 352 L HA 0.303 4.643 4.340 -0.000 0.000 0.255 352 L C 1.851 178.687 176.870 -0.057 0.000 1.274 352 L CA -0.122 54.675 54.840 -0.071 0.000 1.047 352 L CB -0.424 41.601 42.059 -0.056 0.000 1.402 352 L HN 0.882 nan 8.230 nan 0.000 0.550 353 A N 0.151 122.940 122.820 -0.053 0.000 1.978 353 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 353 A C 1.091 178.693 177.584 0.030 0.000 1.170 353 A CA 1.352 53.368 52.037 -0.036 0.000 0.636 353 A CB -0.079 18.879 19.000 -0.069 0.000 0.810 353 A HN 0.507 nan 8.150 nan 0.000 0.448 354 E N 0.283 120.472 120.200 -0.017 0.000 3.374 354 E HA 0.202 4.552 4.350 -0.000 0.000 0.223 354 E C -2.816 173.690 176.600 -0.156 0.000 1.210 354 E CA -2.015 54.376 56.400 -0.016 0.000 0.987 354 E CB 1.074 30.761 29.700 -0.021 0.000 1.322 354 E HN 0.380 nan 8.360 nan 0.000 0.404 355 P HA 0.014 nan 4.420 nan 0.000 0.267 355 P C 0.499 177.584 177.300 -0.358 0.000 1.209 355 P CA 0.064 63.004 63.100 -0.268 0.000 0.763 355 P CB 0.981 32.577 31.700 -0.173 0.000 0.816 356 G N 2.700 111.118 108.800 -0.638 0.000 2.484 356 G HA2 0.259 4.219 3.960 -0.000 0.000 0.235 356 G HA3 0.259 4.219 3.960 -0.000 0.000 0.235 356 G C -0.290 174.377 174.900 -0.388 0.000 1.282 356 G CA -0.408 44.288 45.100 -0.672 0.000 0.857 356 G HN 0.407 nan 8.290 nan 0.000 0.571 357 V N 2.697 122.521 119.914 -0.151 0.000 2.370 357 V HA 0.240 4.360 4.120 -0.000 0.000 0.279 357 V C 0.423 176.545 176.094 0.048 0.000 1.029 357 V CA -0.403 61.854 62.300 -0.072 0.000 0.870 357 V CB 1.105 32.897 31.823 -0.051 0.000 0.984 357 V HN 0.672 nan 8.190 nan 0.000 0.451 358 F N 1.397 121.440 119.950 0.154 0.000 2.234 358 F HA 0.179 4.706 4.527 -0.000 0.000 0.296 358 F C 1.079 176.932 175.800 0.088 0.000 1.089 358 F CA 0.925 59.035 58.000 0.182 0.000 1.343 358 F CB 0.281 39.382 39.000 0.169 0.000 1.040 358 F HN 0.537 nan 8.300 nan 0.000 0.498 359 D N -1.701 118.831 120.400 0.220 0.000 2.623 359 D HA 0.435 5.075 4.640 -0.000 0.000 0.241 359 D C -1.604 174.707 176.300 0.018 0.000 1.241 359 D CA -0.288 53.772 54.000 0.100 0.000 0.788 359 D CB 2.270 43.121 40.800 0.085 0.000 1.413 359 D HN -0.196 nan 8.370 nan 0.000 0.429 360 V N 1.435 121.338 119.914 -0.019 0.000 3.012 360 V HA 0.829 4.949 4.120 -0.000 0.000 0.307 360 V C -1.801 174.263 176.094 -0.050 0.000 1.166 360 V CA -0.513 61.735 62.300 -0.086 0.000 0.974 360 V CB 2.146 33.855 31.823 -0.191 0.000 1.040 360 V HN 0.650 nan 8.190 nan 0.000 0.428 361 K N 4.260 124.627 120.400 -0.054 0.000 2.535 361 K HA 0.582 4.902 4.320 -0.000 0.000 0.251 361 K C -1.811 174.818 176.600 0.049 0.000 0.942 361 K CA -0.319 56.001 56.287 0.056 0.000 0.798 361 K CB 1.468 34.052 32.500 0.141 0.000 1.267 361 K HN 0.461 nan 8.250 nan 0.000 0.434 362 F N 3.757 123.787 119.950 0.134 0.000 2.399 362 F HA 0.426 4.953 4.527 -0.000 0.000 0.342 362 F C -0.229 175.642 175.800 0.118 0.000 1.106 362 F CA -0.183 57.898 58.000 0.135 0.000 1.196 362 F CB 0.730 39.799 39.000 0.116 0.000 1.163 362 F HN 0.330 nan 8.300 nan 0.000 0.547 363 L N 3.810 125.239 121.223 0.343 0.000 2.329 363 L HA 0.406 4.746 4.340 -0.000 0.000 0.279 363 L C -0.190 176.528 176.870 -0.252 0.000 1.014 363 L CA -0.953 53.967 54.840 0.133 0.000 0.814 363 L CB 1.260 43.593 42.059 0.456 0.000 1.257 363 L HN 0.365 nan 8.230 nan 0.000 0.424 364 K N 1.898 121.602 120.400 -1.159 0.000 2.440 364 K HA 0.050 4.369 4.320 -0.000 0.000 0.270 364 K C -0.042 176.247 176.600 -0.518 0.000 0.980 364 K CA 0.042 55.731 56.287 -0.998 0.000 0.953 364 K CB 0.210 31.759 32.500 -1.585 0.000 0.925 364 K HN 0.406 nan 8.250 nan 0.000 0.497 365 K N 0.592 120.840 120.400 -0.252 0.000 2.524 365 K HA 0.018 4.338 4.320 -0.000 0.000 0.279 365 K C 0.766 177.358 176.600 -0.013 0.000 0.993 365 K CA 1.204 57.446 56.287 -0.074 0.000 1.030 365 K CB -0.089 32.386 32.500 -0.042 0.000 0.891 365 K HN 0.697 nan 8.250 nan 0.000 0.488 366 G N 3.695 112.544 108.800 0.082 0.000 2.234 366 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 366 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 366 G C 0.489 175.568 174.900 0.297 0.000 0.987 366 G CA 0.361 45.556 45.100 0.158 0.000 0.625 366 G HN 0.728 nan 8.290 nan 0.000 0.532 367 W N 0.936 122.272 121.300 0.061 0.000 2.407 367 W HA 0.311 4.971 4.660 0.000 0.000 0.305 367 W C 1.682 178.231 176.519 0.050 0.000 1.196 367 W CA 0.631 58.008 57.345 0.053 0.000 1.311 367 W CB -0.379 29.126 29.460 0.075 0.000 1.135 367 W HN 0.072 nan 8.180 nan 0.000 0.514 368 R N 1.182 121.872 120.500 0.317 0.000 2.340 368 R HA 0.253 4.593 4.340 -0.000 0.000 0.300 368 R C -0.098 176.267 176.300 0.109 0.000 1.069 368 R CA 0.069 56.273 56.100 0.172 0.000 0.984 368 R CB 1.534 31.938 30.300 0.174 0.000 1.003 368 R HN -0.174 nan 8.270 nan 0.000 0.459 369 S N 0.714 116.445 115.700 0.051 0.000 2.566 369 S HA 0.747 5.217 4.470 -0.000 0.000 0.298 369 S C -0.534 174.067 174.600 0.003 0.000 1.083 369 S CA 0.354 58.575 58.200 0.035 0.000 0.978 369 S CB 1.503 64.721 63.200 0.030 0.000 1.073 369 S HN 0.915 nan 8.310 nan 0.000 0.491 370 G N 2.492 111.296 108.800 0.006 0.000 2.730 370 G HA2 0.086 4.046 3.960 -0.000 0.000 0.686 370 G HA3 0.086 4.046 3.960 -0.000 0.000 0.686 370 G C -0.035 174.861 174.900 -0.006 0.000 1.343 370 G CA -0.208 44.888 45.100 -0.008 0.000 0.826 370 G HN 1.541 nan 8.290 nan 0.000 0.582 371 M N -0.476 119.120 119.600 -0.008 0.000 2.503 371 M HA -0.095 4.385 4.480 -0.000 0.000 0.199 371 M C 1.997 178.304 176.300 0.012 0.000 0.466 371 M CA 2.628 57.927 55.300 -0.002 0.000 0.510 371 M CB -1.478 31.116 32.600 -0.011 0.000 1.858 371 M HN 2.936 nan 8.290 nan 0.000 0.799 372 G N -1.861 106.947 108.800 0.013 0.000 2.166 372 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.260 372 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.260 372 G C 0.956 175.873 174.900 0.029 0.000 0.986 372 G CA 0.990 46.100 45.100 0.018 0.000 0.683 372 G HN 1.448 nan 8.290 nan 0.000 0.527 373 A N -0.095 122.750 122.820 0.041 0.000 1.970 373 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 373 A C 1.092 178.714 177.584 0.064 0.000 1.170 373 A CA 1.028 53.105 52.037 0.065 0.000 0.645 373 A CB -0.139 18.915 19.000 0.089 0.000 0.816 373 A HN 0.532 nan 8.150 nan 0.000 0.447 374 D N -0.214 120.218 120.400 0.053 0.000 2.703 374 D HA 0.069 4.709 4.640 -0.000 0.000 0.225 374 D C 0.551 176.879 176.300 0.046 0.000 1.119 374 D CA 1.185 55.218 54.000 0.055 0.000 0.845 374 D CB 0.275 41.100 40.800 0.042 0.000 1.182 374 D HN 0.367 nan 8.370 nan 0.000 0.493 375 L N 0.260 121.512 121.223 0.049 0.000 5.081 375 L HA -0.276 4.064 4.340 -0.000 0.000 0.423 375 L C 0.224 177.109 176.870 0.025 0.000 1.019 375 L CA 0.953 55.813 54.840 0.034 0.000 1.223 375 L CB -1.322 40.752 42.059 0.025 0.000 1.940 375 L HN 0.448 nan 8.230 nan 0.000 0.675 376 N N 0.161 118.883 118.700 0.037 0.000 2.328 376 N HA 0.461 5.201 4.740 -0.000 0.000 0.299 376 N C -0.145 175.404 175.510 0.065 0.000 1.179 376 N CA -0.654 52.416 53.050 0.032 0.000 0.793 376 N CB 1.453 39.956 38.487 0.026 0.000 1.366 376 N HN 0.134 nan 8.380 nan 0.000 0.493 377 E N -0.006 120.242 120.200 0.080 0.000 2.392 377 E HA 0.320 4.670 4.350 -0.000 0.000 0.256 377 E C -0.050 176.720 176.600 0.283 0.000 1.145 377 E CA -0.132 56.354 56.400 0.143 0.000 0.929 377 E CB 0.762 30.556 29.700 0.157 0.000 0.998 377 E HN 0.663 nan 8.360 nan 0.000 0.442 378 S N 0.987 116.907 115.700 0.367 0.000 2.794 378 S HA 0.758 5.228 4.470 -0.000 0.000 0.299 378 S C -1.207 173.669 174.600 0.460 0.000 1.179 378 S CA -0.910 57.547 58.200 0.429 0.000 0.838 378 S CB 1.356 64.762 63.200 0.343 0.000 1.206 378 S HN 0.339 nan 8.310 nan 0.000 0.523 379 L N -0.499 120.959 121.223 0.391 0.000 2.469 379 L HA 0.853 5.193 4.340 -0.000 0.000 0.256 379 L C -1.700 175.338 176.870 0.280 0.000 1.006 379 L CA -0.194 54.757 54.840 0.185 0.000 0.832 379 L CB 2.073 44.094 42.059 -0.064 0.000 1.421 379 L HN 1.223 nan 8.230 nan 0.000 0.410 380 C N 2.486 121.840 119.300 0.089 0.000 2.686 380 C HA 0.896 5.356 4.460 -0.000 0.000 0.318 380 C C -0.636 174.280 174.990 -0.123 0.000 1.160 380 C CA -0.646 58.299 59.018 -0.122 0.000 1.396 380 C CB 0.073 27.624 27.740 -0.315 0.000 1.924 380 C HN 1.130 nan 8.230 nan 0.000 0.471 381 C N 4.632 123.852 119.300 -0.133 0.000 2.994 381 C HA 0.957 5.417 4.460 -0.000 0.000 0.304 381 C C -0.502 174.403 174.990 -0.142 0.000 1.273 381 C CA -0.398 58.562 59.018 -0.095 0.000 1.537 381 C CB 0.745 28.457 27.740 -0.047 0.000 2.001 381 C HN 1.280 nan 8.230 nan 0.000 0.471 382 V N -0.725 119.155 119.914 -0.057 0.000 2.656 382 V HA 0.857 4.977 4.120 -0.000 0.000 0.307 382 V C -0.134 176.003 176.094 0.072 0.000 1.051 382 V CA -0.240 62.045 62.300 -0.026 0.000 0.893 382 V CB 0.419 32.241 31.823 -0.000 0.000 0.999 382 V HN 1.209 nan 8.190 nan 0.000 0.426 383 C N 3.346 122.675 119.300 0.048 0.000 2.771 383 C HA 0.564 5.024 4.460 -0.000 0.000 0.333 383 C C 1.397 176.400 174.990 0.022 0.000 1.267 383 C CA -0.489 58.526 59.018 -0.006 0.000 1.721 383 C CB 1.688 29.388 27.740 -0.066 0.000 2.222 383 C HN 1.049 nan 8.230 nan 0.000 0.485 384 L N 2.260 123.380 121.223 -0.172 0.000 2.261 384 L HA -0.094 4.246 4.340 -0.000 0.000 0.216 384 L C 1.842 178.695 176.870 -0.027 0.000 1.114 384 L CA 2.028 56.790 54.840 -0.131 0.000 0.777 384 L CB -0.512 41.301 42.059 -0.410 0.000 0.910 384 L HN 0.848 nan 8.230 nan 0.000 0.440 385 D N -0.936 119.438 120.400 -0.043 0.000 2.325 385 D HA -0.093 4.547 4.640 -0.000 0.000 0.234 385 D C 0.367 176.678 176.300 0.019 0.000 1.122 385 D CA -0.204 53.786 54.000 -0.016 0.000 0.850 385 D CB -0.386 40.397 40.800 -0.028 0.000 0.921 385 D HN 0.353 nan 8.370 nan 0.000 0.513 386 R N -0.375 120.153 120.500 0.047 0.000 3.422 386 R HA -0.146 4.194 4.340 -0.000 0.000 0.267 386 R C -0.454 175.883 176.300 0.061 0.000 1.074 386 R CA 0.919 57.060 56.100 0.068 0.000 0.718 386 R CB -2.553 27.791 30.300 0.073 0.000 1.157 386 R HN 0.539 nan 8.270 nan 0.000 0.440 387 S N -0.449 115.265 115.700 0.023 0.000 2.600 387 S HA 0.830 5.300 4.470 -0.000 0.000 0.300 387 S C -0.127 174.410 174.600 -0.105 0.000 1.087 387 S CA -1.055 57.129 58.200 -0.027 0.000 0.965 387 S CB 3.041 66.218 63.200 -0.038 0.000 1.089 387 S HN 0.316 nan 8.310 nan 0.000 0.496 388 I N 0.762 121.184 120.570 -0.248 0.000 2.545 388 I HA 0.672 4.842 4.170 -0.000 0.000 0.292 388 I C -1.335 174.398 176.117 -0.639 0.000 1.040 388 I CA -0.892 60.090 61.300 -0.529 0.000 1.068 388 I CB 1.633 39.138 38.000 -0.824 0.000 1.251 388 I HN 0.818 nan 8.210 nan 0.000 0.424 389 R N 6.775 126.863 120.500 -0.686 0.000 2.673 389 R HA 0.520 4.860 4.340 -0.000 0.000 0.281 389 R C -1.766 174.140 176.300 -0.656 0.000 0.991 389 R CA -0.557 55.224 56.100 -0.532 0.000 0.896 389 R CB 1.982 32.111 30.300 -0.285 0.000 1.201 389 R HN 0.516 nan 8.270 nan 0.000 0.457 390 W N 2.884 123.889 121.300 -0.492 0.000 2.666 390 W HA 0.486 5.146 4.660 -0.000 0.000 0.334 390 W C -0.866 175.281 176.519 -0.620 0.000 1.051 390 W CA -0.587 56.568 57.345 -0.316 0.000 1.224 390 W CB 1.584 30.961 29.460 -0.138 0.000 1.405 390 W HN 0.382 nan 8.180 nan 0.000 0.513 391 F N 0.938 121.052 119.950 0.273 0.000 2.599 391 F HA 0.553 5.080 4.527 -0.000 0.000 0.311 391 F C 0.203 176.164 175.800 0.269 0.000 1.076 391 F CA -1.318 56.819 58.000 0.228 0.000 0.937 391 F CB 1.846 40.970 39.000 0.206 0.000 1.282 391 F HN 0.180 nan 8.300 nan 0.000 0.460 392 R N 0.356 121.097 120.500 0.401 0.000 2.803 392 R HA 0.575 4.914 4.340 -0.000 0.000 0.276 392 R C -1.144 175.252 176.300 0.160 0.000 0.978 392 R CA -0.910 55.359 56.100 0.283 0.000 0.939 392 R CB 2.201 32.592 30.300 0.152 0.000 1.179 392 R HN 0.735 nan 8.270 nan 0.000 0.472 393 E N 1.623 121.821 120.200 -0.002 0.000 2.289 393 E HA 0.378 4.728 4.350 -0.000 0.000 0.278 393 E C -1.061 175.357 176.600 -0.303 0.000 1.032 393 E CA -0.440 55.638 56.400 -0.537 0.000 0.854 393 E CB 1.210 30.638 29.700 -0.453 0.000 1.046 393 E HN 0.655 nan 8.360 nan 0.000 0.409 394 A N 3.274 125.876 122.820 -0.362 0.000 2.330 394 A HA 0.720 5.040 4.320 -0.000 0.000 0.329 394 A C 0.197 177.663 177.584 -0.197 0.000 1.135 394 A CA -0.163 51.757 52.037 -0.196 0.000 0.817 394 A CB 1.514 20.433 19.000 -0.136 0.000 1.269 394 A HN 0.728 nan 8.150 nan 0.000 0.469 395 G N 0.000 108.728 108.800 -0.121 0.000 5.446 395 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 395 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 395 G CA 0.000 45.041 45.100 -0.098 0.000 0.502 395 G HN 0.000 nan 8.290 nan 0.000 0.925