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 3gk0_1_A DATA FIRST_RESID 3 DATA SEQUENCE FFLTTPAAID LGVNIDHVAT LRNARGTAYP DPVRAALAAE DAGADAITLH DATA SEQUENCE LREDRRHIVD ADVRTLRPRV KTRMNLECAV TPEMLDIACE IRPHDACLVP DATA SEQUENCE EKRSELTTEG GLDVVGHFDA VRAACKQLAD AGVRVSLFID PDEAQIRAAH DATA SEQUENCE ETGAPVIELH TGRYADAHDA AEQQREFERI ATGVDAGIAL GLKVNAGHGL DATA SEQUENCE HYTNVQAIAA LPGIAELNIG HAIVAHAVFV GWDNAVREMK AIMVAARVAA DATA SEQUENCE LH 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 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.761 175.800 -0.065 0.000 0.967 3 F CA 0.000 57.939 58.000 -0.102 0.000 1.383 3 F CB 0.000 38.936 39.000 -0.106 0.000 1.145 4 F N 3.439 122.580 119.950 -1.349 0.000 2.693 4 F HA 0.737 5.263 4.527 -0.002 0.000 0.309 4 F C -2.284 172.834 175.800 -1.137 0.000 1.129 4 F CA -1.374 55.880 58.000 -1.244 0.000 0.948 4 F CB 1.242 39.689 39.000 -0.922 0.000 1.315 4 F HN 0.482 nan 8.300 nan 0.000 0.447 5 L N 2.054 123.006 121.223 -0.452 0.000 2.292 5 L HA 0.449 4.788 4.340 -0.002 0.000 0.284 5 L C 0.393 177.308 176.870 0.076 0.000 1.065 5 L CA -0.665 54.071 54.840 -0.173 0.000 0.806 5 L CB 1.791 43.800 42.059 -0.084 0.000 1.175 5 L HN 0.908 nan 8.230 nan 0.000 0.431 6 T N 2.060 116.675 114.554 0.102 0.000 2.794 6 T HA 0.413 4.762 4.350 -0.002 0.000 0.296 6 T C -0.219 174.519 174.700 0.063 0.000 0.949 6 T CA -0.302 61.876 62.100 0.130 0.000 1.101 6 T CB 0.109 69.053 68.868 0.126 0.000 0.905 6 T HN 0.741 nan 8.240 nan 0.000 0.516 7 T N 3.835 118.419 114.554 0.050 0.000 3.032 7 T HA 0.494 4.844 4.350 -0.002 0.000 0.312 7 T C -2.081 172.629 174.700 0.016 0.000 1.078 7 T CA -1.373 60.744 62.100 0.029 0.000 1.028 7 T CB 1.846 70.729 68.868 0.026 0.000 1.091 7 T HN 0.330 nan 8.240 nan 0.000 0.457 8 P HA 0.032 nan 4.420 nan 0.000 0.225 8 P C 1.371 178.667 177.300 -0.006 0.000 1.148 8 P CA 0.549 63.650 63.100 0.001 0.000 0.779 8 P CB -0.183 31.517 31.700 0.000 0.000 0.780 9 A N 0.231 123.049 122.820 -0.004 0.000 2.167 9 A HA 0.207 4.526 4.320 -0.002 0.000 0.214 9 A C 2.317 179.892 177.584 -0.014 0.000 1.151 9 A CA 1.054 53.086 52.037 -0.008 0.000 0.735 9 A CB -0.989 18.009 19.000 -0.002 0.000 0.802 9 A HN 0.219 nan 8.150 nan 0.000 0.467 10 A N -0.688 122.122 122.820 -0.017 0.000 1.972 10 A HA 0.280 4.599 4.320 -0.002 0.000 0.219 10 A C 0.928 178.487 177.584 -0.041 0.000 1.169 10 A CA 1.374 53.392 52.037 -0.032 0.000 0.635 10 A CB -0.159 18.815 19.000 -0.042 0.000 0.810 10 A HN 0.824 nan 8.150 nan 0.000 0.446 11 I N -0.374 120.175 120.570 -0.036 0.000 2.685 11 I HA 0.249 4.418 4.170 -0.002 0.000 0.289 11 I C -2.190 173.907 176.117 -0.033 0.000 1.292 11 I CA -0.902 60.375 61.300 -0.038 0.000 1.050 11 I CB 1.722 39.695 38.000 -0.046 0.000 1.301 11 I HN -0.057 nan 8.210 nan 0.000 0.425 12 D N 6.881 127.263 120.400 -0.031 0.000 2.255 12 D HA 0.406 5.045 4.640 -0.002 0.000 0.249 12 D C -0.705 175.576 176.300 -0.033 0.000 1.078 12 D CA 0.041 54.024 54.000 -0.029 0.000 0.896 12 D CB 2.312 43.096 40.800 -0.025 0.000 1.194 12 D HN 0.314 nan 8.370 nan 0.000 0.429 13 L N 1.205 122.407 121.223 -0.036 0.000 2.305 13 L HA 0.580 4.919 4.340 -0.002 0.000 0.284 13 L C -0.048 176.802 176.870 -0.035 0.000 1.013 13 L CA -0.371 54.444 54.840 -0.042 0.000 0.819 13 L CB 1.624 43.650 42.059 -0.056 0.000 1.227 13 L HN 0.337 nan 8.230 nan 0.000 0.417 14 G N 4.760 113.543 108.800 -0.028 0.000 2.335 14 G HA2 0.550 4.509 3.960 -0.002 0.000 0.316 14 G HA3 0.550 4.509 3.960 -0.002 0.000 0.316 14 G C -1.166 173.726 174.900 -0.014 0.000 1.129 14 G CA -0.441 44.650 45.100 -0.015 0.000 0.899 14 G HN 0.488 nan 8.290 nan 0.000 0.448 15 V N 3.725 123.642 119.914 0.006 0.000 2.370 15 V HA 0.245 4.364 4.120 -0.002 0.000 0.279 15 V C 0.134 176.277 176.094 0.081 0.000 1.029 15 V CA -1.224 61.094 62.300 0.029 0.000 0.870 15 V CB 1.348 33.196 31.823 0.042 0.000 0.984 15 V HN 0.760 nan 8.190 nan 0.000 0.451 16 N N 5.035 123.780 118.700 0.075 0.000 2.419 16 N HA 0.279 5.018 4.740 -0.002 0.000 0.264 16 N C 0.506 176.094 175.510 0.131 0.000 1.031 16 N CA -0.418 52.675 53.050 0.072 0.000 0.951 16 N CB 1.570 40.066 38.487 0.016 0.000 1.101 16 N HN 0.805 nan 8.380 nan 0.000 0.488 17 I N 0.041 120.676 120.570 0.108 0.000 3.904 17 I HA 0.216 4.385 4.170 -0.002 0.000 0.333 17 I C 0.150 176.270 176.117 0.005 0.000 1.361 17 I CA -0.292 61.061 61.300 0.088 0.000 1.116 17 I CB 0.167 38.202 38.000 0.057 0.000 1.028 17 I HN 0.136 nan 8.210 nan 0.000 0.398 18 D N 2.004 122.387 120.400 -0.027 0.000 2.106 18 D HA -0.226 4.413 4.640 -0.002 0.000 0.191 18 D C 1.713 177.936 176.300 -0.129 0.000 0.997 18 D CA 1.948 55.808 54.000 -0.234 0.000 0.834 18 D CB -0.357 40.157 40.800 -0.477 0.000 0.956 18 D HN 0.525 nan 8.370 nan 0.000 0.448 19 H N -0.680 118.307 119.070 -0.138 0.000 2.559 19 H HA 0.083 4.671 4.556 0.052 0.000 0.273 19 H C 1.972 177.271 175.328 -0.049 0.000 1.000 19 H CA 0.043 56.066 56.048 -0.042 0.000 1.195 19 H CB -0.059 29.746 29.762 0.071 0.000 1.368 19 H HN -0.007 nan 8.280 nan 0.000 0.592 20 V N 0.134 120.047 119.914 -0.001 0.000 2.453 20 V HA -0.202 3.918 4.120 -0.002 0.000 0.247 20 V C 2.537 178.583 176.094 -0.079 0.000 1.048 20 V CA 1.487 63.727 62.300 -0.100 0.000 1.049 20 V CB -0.908 30.774 31.823 -0.235 0.000 0.672 20 V HN 0.544 nan 8.190 nan 0.000 0.457 21 A N 0.086 122.865 122.820 -0.069 0.000 1.902 21 A HA -0.231 4.088 4.320 -0.002 0.000 0.217 21 A C 2.407 179.973 177.584 -0.031 0.000 1.181 21 A CA 2.506 54.516 52.037 -0.046 0.000 0.623 21 A CB -1.047 17.943 19.000 -0.016 0.000 0.818 21 A HN 0.488 nan 8.150 nan 0.000 0.443 22 T N 0.092 114.616 114.554 -0.051 0.000 2.699 22 T HA -0.175 4.174 4.350 -0.002 0.000 0.268 22 T C 1.802 176.481 174.700 -0.034 0.000 1.036 22 T CA 1.654 63.718 62.100 -0.061 0.000 1.147 22 T CB -0.350 68.415 68.868 -0.171 0.000 0.862 22 T HN 0.288 nan 8.240 nan 0.000 0.446 23 L N 1.179 122.387 121.223 -0.026 0.000 2.056 23 L HA 0.105 4.444 4.340 -0.002 0.000 0.207 23 L C 2.524 179.381 176.870 -0.022 0.000 1.078 23 L CA 1.639 56.470 54.840 -0.016 0.000 0.749 23 L CB -0.639 41.410 42.059 -0.016 0.000 0.901 23 L HN 0.078 nan 8.230 nan 0.000 0.433 24 R N -0.590 119.889 120.500 -0.034 0.000 2.073 24 R HA -0.179 4.160 4.340 -0.002 0.000 0.234 24 R C 1.880 178.159 176.300 -0.035 0.000 1.134 24 R CA 1.789 57.867 56.100 -0.038 0.000 0.952 24 R CB -0.253 30.007 30.300 -0.067 0.000 0.850 24 R HN 0.419 nan 8.270 nan 0.000 0.433 25 N N 0.792 119.472 118.700 -0.034 0.000 2.289 25 N HA -0.112 4.627 4.740 -0.002 0.000 0.184 25 N C 1.515 177.010 175.510 -0.024 0.000 1.016 25 N CA 1.245 54.277 53.050 -0.031 0.000 0.872 25 N CB -0.362 38.108 38.487 -0.028 0.000 0.973 25 N HN 0.330 nan 8.380 nan 0.000 0.433 26 A N 0.960 123.769 122.820 -0.019 0.000 1.917 26 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 26 A C 2.277 179.855 177.584 -0.009 0.000 1.182 26 A CA 2.018 54.048 52.037 -0.012 0.000 0.633 26 A CB -0.369 18.627 19.000 -0.007 0.000 0.819 26 A HN 0.368 nan 8.150 nan 0.000 0.448 27 R N -2.604 117.892 120.500 -0.008 0.000 2.195 27 R HA 0.315 4.654 4.340 -0.002 0.000 0.197 27 R C 1.320 177.616 176.300 -0.006 0.000 0.990 27 R CA 1.468 57.566 56.100 -0.003 0.000 1.048 27 R CB 0.076 30.379 30.300 0.006 0.000 0.997 27 R HN 0.804 nan 8.270 nan 0.000 0.502 28 G N 0.096 108.887 108.800 -0.015 0.000 2.201 28 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.212 28 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.212 28 G C 0.360 175.243 174.900 -0.029 0.000 0.994 28 G CA 0.367 45.453 45.100 -0.022 0.000 0.644 28 G HN 0.649 nan 8.290 nan 0.000 0.508 29 T N -1.929 112.614 114.554 -0.017 0.000 2.833 29 T HA 0.676 5.025 4.350 -0.002 0.000 0.312 29 T C 1.660 176.281 174.700 -0.131 0.000 1.085 29 T CA 0.725 62.812 62.100 -0.022 0.000 0.955 29 T CB 1.334 70.253 68.868 0.084 0.000 1.353 29 T HN 1.377 nan 8.240 nan 0.000 0.544 30 A N -0.660 121.968 122.820 -0.320 0.000 2.275 30 A HA 0.386 4.705 4.320 -0.002 0.000 0.212 30 A C -0.226 176.888 177.584 -0.783 0.000 1.201 30 A CA -0.305 51.365 52.037 -0.612 0.000 0.843 30 A CB -0.719 17.794 19.000 -0.813 0.000 0.873 30 A HN 0.721 nan 8.150 nan 0.000 0.492 31 Y N -0.154 120.118 120.300 -0.046 0.000 2.446 31 Y HA 0.484 5.031 4.550 -0.006 0.000 0.345 31 Y C -2.409 173.453 175.900 -0.063 0.000 0.984 31 Y CA -2.967 55.098 58.100 -0.058 0.000 1.058 31 Y CB 1.566 39.994 38.460 -0.052 0.000 1.220 31 Y HN -0.003 nan 8.280 nan 0.000 0.455 32 P HA 0.013 nan 4.420 nan 0.000 0.280 32 P C -0.802 176.474 177.300 -0.040 0.000 1.244 32 P CA -0.153 62.973 63.100 0.043 0.000 0.784 32 P CB 1.179 32.845 31.700 -0.057 0.000 0.913 33 D N 4.496 124.887 120.400 -0.014 0.000 2.339 33 D HA 0.099 4.738 4.640 -0.002 0.000 0.256 33 D C -1.512 174.714 176.300 -0.124 0.000 1.214 33 D CA -2.133 51.812 54.000 -0.092 0.000 0.877 33 D CB 0.608 41.383 40.800 -0.042 0.000 1.111 33 D HN 0.122 nan 8.370 nan 0.000 0.478 34 P HA -0.131 nan 4.420 nan 0.000 0.218 34 P C 1.502 178.752 177.300 -0.083 0.000 1.149 34 P CA 0.419 63.446 63.100 -0.121 0.000 0.817 34 P CB 0.338 31.989 31.700 -0.081 0.000 0.785 35 V N 0.101 119.979 119.914 -0.060 0.000 2.343 35 V HA -0.220 3.899 4.120 -0.002 0.000 0.247 35 V C 2.679 178.763 176.094 -0.017 0.000 1.051 35 V CA 1.778 64.062 62.300 -0.027 0.000 1.036 35 V CB -0.948 30.861 31.823 -0.023 0.000 0.654 35 V HN 0.088 nan 8.190 nan 0.000 0.451 36 R N 0.182 120.662 120.500 -0.033 0.000 2.092 36 R HA -0.122 4.217 4.340 -0.002 0.000 0.231 36 R C 2.341 178.615 176.300 -0.044 0.000 1.119 36 R CA 1.476 57.565 56.100 -0.019 0.000 0.970 36 R CB -0.421 29.872 30.300 -0.013 0.000 0.864 36 R HN 0.471 nan 8.270 nan 0.000 0.440 37 A N 1.078 123.801 122.820 -0.162 0.000 1.892 37 A HA -0.208 4.111 4.320 -0.002 0.000 0.218 37 A C 2.387 180.033 177.584 0.103 0.000 1.188 37 A CA 2.061 53.903 52.037 -0.325 0.000 0.631 37 A CB -0.917 17.737 19.000 -0.577 0.000 0.822 37 A HN 0.551 nan 8.150 nan 0.000 0.447 38 A N -0.463 122.408 122.820 0.086 0.000 1.877 38 A HA -0.046 4.273 4.320 -0.002 0.000 0.216 38 A C 2.197 179.872 177.584 0.152 0.000 1.186 38 A CA 1.588 53.715 52.037 0.150 0.000 0.620 38 A CB -0.629 18.421 19.000 0.083 0.000 0.822 38 A HN 0.490 nan 8.150 nan 0.000 0.443 39 L N -0.969 120.318 121.223 0.107 0.000 2.093 39 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 39 L C 3.025 179.969 176.870 0.123 0.000 1.085 39 L CA 0.911 55.807 54.840 0.093 0.000 0.755 39 L CB -0.547 41.550 42.059 0.063 0.000 0.904 39 L HN 0.433 nan 8.230 nan 0.000 0.435 40 A N 0.128 123.052 122.820 0.174 0.000 1.969 40 A HA -0.079 4.240 4.320 -0.002 0.000 0.218 40 A C 2.518 180.251 177.584 0.248 0.000 1.169 40 A CA 1.496 53.667 52.037 0.223 0.000 0.635 40 A CB -0.482 18.695 19.000 0.295 0.000 0.810 40 A HN 0.383 nan 8.150 nan 0.000 0.445 41 A N -0.077 122.940 122.820 0.329 0.000 1.930 41 A HA -0.120 4.199 4.320 -0.002 0.000 0.217 41 A C 1.891 179.510 177.584 0.058 0.000 1.175 41 A CA 1.461 53.589 52.037 0.152 0.000 0.627 41 A CB -0.435 18.702 19.000 0.227 0.000 0.815 41 A HN 0.617 nan 8.150 nan 0.000 0.443 42 E N 0.104 120.352 120.200 0.080 0.000 2.077 42 E HA -0.193 4.156 4.350 -0.002 0.000 0.193 42 E C 1.298 177.917 176.600 0.031 0.000 0.989 42 E CA 1.227 57.651 56.400 0.041 0.000 0.800 42 E CB -0.230 29.494 29.700 0.042 0.000 0.746 42 E HN 0.537 nan 8.360 nan 0.000 0.452 43 D N 0.432 120.860 120.400 0.048 0.000 2.218 43 D HA -0.112 4.527 4.640 -0.002 0.000 0.204 43 D C 1.527 177.840 176.300 0.023 0.000 0.976 43 D CA 1.052 55.075 54.000 0.038 0.000 0.853 43 D CB -0.106 40.725 40.800 0.052 0.000 0.939 43 D HN 0.154 nan 8.370 nan 0.000 0.481 44 A N -0.518 122.310 122.820 0.013 0.000 2.251 44 A HA 0.459 4.778 4.320 -0.002 0.000 0.209 44 A C 1.686 179.252 177.584 -0.029 0.000 1.187 44 A CA 0.957 52.984 52.037 -0.017 0.000 0.823 44 A CB 0.079 19.043 19.000 -0.060 0.000 0.846 44 A HN 0.253 nan 8.150 nan 0.000 0.486 45 G N -2.187 106.602 108.800 -0.020 0.000 2.175 45 G HA2 0.189 4.148 3.960 -0.002 0.000 0.182 45 G HA3 0.189 4.148 3.960 -0.002 0.000 0.182 45 G C 0.371 175.254 174.900 -0.030 0.000 1.003 45 G CA -0.003 45.084 45.100 -0.021 0.000 0.666 45 G HN 1.444 nan 8.290 nan 0.000 0.506 46 A N 0.294 123.094 122.820 -0.033 0.000 2.498 46 A HA 0.518 4.837 4.320 -0.002 0.000 0.239 46 A C 1.072 178.641 177.584 -0.024 0.000 1.068 46 A CA 0.949 52.966 52.037 -0.032 0.000 0.766 46 A CB 0.271 19.259 19.000 -0.020 0.000 1.003 46 A HN 0.263 nan 8.150 nan 0.000 0.497 47 D N 0.477 120.860 120.400 -0.029 0.000 2.366 47 D HA 0.333 4.972 4.640 -0.002 0.000 0.205 47 D C 0.536 176.810 176.300 -0.042 0.000 1.022 47 D CA 1.363 55.343 54.000 -0.033 0.000 0.868 47 D CB 0.469 41.250 40.800 -0.032 0.000 0.953 47 D HN 0.688 nan 8.370 nan 0.000 0.514 48 A N 0.494 123.296 122.820 -0.030 0.000 2.606 48 A HA 0.540 4.859 4.320 -0.002 0.000 0.293 48 A C -1.571 176.014 177.584 0.003 0.000 1.082 48 A CA -0.574 51.446 52.037 -0.028 0.000 0.685 48 A CB 1.694 20.679 19.000 -0.026 0.000 1.284 48 A HN -0.075 nan 8.150 nan 0.000 0.408 49 I N 1.593 122.174 120.570 0.018 0.000 2.377 49 I HA 0.501 4.670 4.170 -0.002 0.000 0.293 49 I C -0.028 176.118 176.117 0.048 0.000 0.987 49 I CA -0.029 61.301 61.300 0.050 0.000 1.185 49 I CB 1.180 39.219 38.000 0.065 0.000 1.341 49 I HN 0.620 nan 8.210 nan 0.000 0.455 50 T N 7.728 122.313 114.554 0.051 0.000 2.823 50 T HA 0.797 5.147 4.350 -0.002 0.000 0.279 50 T C -0.243 174.490 174.700 0.054 0.000 0.998 50 T CA -0.613 61.512 62.100 0.042 0.000 0.994 50 T CB 1.737 70.618 68.868 0.022 0.000 0.960 50 T HN 0.535 nan 8.240 nan 0.000 0.448 51 L N 0.804 122.064 121.223 0.061 0.000 2.526 51 L HA 0.548 4.887 4.340 -0.002 0.000 0.263 51 L C -1.070 175.888 176.870 0.147 0.000 0.943 51 L CA -0.959 53.930 54.840 0.082 0.000 0.859 51 L CB 2.073 44.172 42.059 0.068 0.000 1.313 51 L HN 0.763 nan 8.230 nan 0.000 0.406 52 H N 4.799 123.904 119.070 0.058 0.000 2.641 52 H HA 0.375 4.931 4.556 0.002 0.000 0.295 52 H C -1.099 174.323 175.328 0.157 0.000 1.070 52 H CA -0.768 55.342 56.048 0.103 0.000 1.257 52 H CB 1.630 31.471 29.762 0.131 0.000 1.393 52 H HN 0.697 nan 8.280 nan 0.000 0.464 53 L N 7.461 128.833 121.223 0.248 0.000 2.385 53 L HA 0.247 4.586 4.340 -0.002 0.000 0.285 53 L C 0.002 176.855 176.870 -0.029 0.000 1.125 53 L CA -0.329 54.555 54.840 0.072 0.000 0.890 53 L CB -0.235 41.866 42.059 0.070 0.000 1.251 53 L HN 0.715 nan 8.230 nan 0.000 0.445 54 R N 2.376 122.703 120.500 -0.289 0.000 2.641 54 R HA 0.141 4.480 4.340 -0.002 0.000 0.269 54 R C 1.338 177.550 176.300 -0.146 0.000 1.074 54 R CA 0.447 56.345 56.100 -0.336 0.000 1.133 54 R CB 0.588 30.576 30.300 -0.520 0.000 1.029 54 R HN 0.728 nan 8.270 nan 0.000 0.488 55 E N 2.056 122.205 120.200 -0.085 0.000 2.058 55 E HA -0.234 4.115 4.350 -0.002 0.000 0.194 55 E C 1.197 177.751 176.600 -0.076 0.000 0.997 55 E CA 1.963 58.330 56.400 -0.055 0.000 0.801 55 E CB -0.675 29.006 29.700 -0.031 0.000 0.746 55 E HN 0.838 nan 8.360 nan 0.000 0.450 56 D N -1.026 119.311 120.400 -0.105 0.000 2.363 56 D HA 0.021 4.660 4.640 -0.002 0.000 0.226 56 D C 0.414 176.636 176.300 -0.131 0.000 1.020 56 D CA 0.199 54.136 54.000 -0.106 0.000 0.892 56 D CB -0.264 40.473 40.800 -0.106 0.000 0.900 56 D HN 0.203 nan 8.370 nan 0.000 0.531 57 R N -0.538 119.868 120.500 -0.156 0.000 3.225 57 R HA -0.230 4.109 4.340 -0.002 0.000 0.245 57 R C 1.103 177.298 176.300 -0.175 0.000 0.928 57 R CA 0.818 56.827 56.100 -0.151 0.000 0.632 57 R CB -2.109 28.138 30.300 -0.089 0.000 1.038 57 R HN 0.347 nan 8.270 nan 0.000 0.461 58 R N -0.442 119.887 120.500 -0.285 0.000 2.093 58 R HA -0.092 4.247 4.340 -0.002 0.000 0.224 58 R C 1.565 177.746 176.300 -0.198 0.000 1.101 58 R CA 1.902 57.848 56.100 -0.257 0.000 0.979 58 R CB 0.111 30.228 30.300 -0.304 0.000 0.877 58 R HN 0.732 nan 8.270 nan 0.000 0.441 59 H N -1.740 117.262 119.070 -0.115 0.000 3.309 59 H HA 0.284 4.824 4.556 -0.026 0.000 0.195 59 H C 0.397 175.675 175.328 -0.084 0.000 1.202 59 H CA -0.601 55.383 56.048 -0.107 0.000 1.470 59 H CB -0.511 29.173 29.762 -0.130 0.000 1.411 59 H HN -0.160 nan 8.280 nan 0.000 0.477 60 I N 3.769 124.570 120.570 0.384 0.000 2.815 60 I HA 0.108 4.277 4.170 -0.002 0.000 0.291 60 I C 0.583 176.731 176.117 0.050 0.000 1.209 60 I CA 0.228 61.620 61.300 0.154 0.000 1.431 60 I CB 0.695 38.793 38.000 0.163 0.000 1.351 60 I HN 0.428 nan 8.210 nan 0.000 0.585 61 V N 2.845 122.766 119.914 0.012 0.000 3.158 61 V HA 0.503 4.622 4.120 -0.002 0.000 0.315 61 V C 0.490 176.579 176.094 -0.009 0.000 1.148 61 V CA -0.667 61.624 62.300 -0.014 0.000 1.042 61 V CB 1.569 33.375 31.823 -0.028 0.000 1.101 61 V HN 0.659 nan 8.190 nan 0.000 0.448 62 D N 1.379 121.770 120.400 -0.014 0.000 2.117 62 D HA -0.022 4.617 4.640 -0.002 0.000 0.197 62 D C 2.098 178.393 176.300 -0.009 0.000 0.987 62 D CA 2.155 56.150 54.000 -0.008 0.000 0.829 62 D CB -0.247 40.546 40.800 -0.012 0.000 0.961 62 D HN 0.846 nan 8.370 nan 0.000 0.460 63 A N 1.018 123.828 122.820 -0.016 0.000 1.940 63 A HA -0.233 4.086 4.320 -0.002 0.000 0.219 63 A C 1.661 179.234 177.584 -0.018 0.000 1.176 63 A CA 1.740 53.766 52.037 -0.019 0.000 0.631 63 A CB -0.466 18.517 19.000 -0.029 0.000 0.814 63 A HN 0.078 nan 8.150 nan 0.000 0.446 64 D N -0.150 120.239 120.400 -0.017 0.000 2.097 64 D HA -0.117 4.522 4.640 -0.002 0.000 0.195 64 D C 2.111 178.413 176.300 0.002 0.000 0.989 64 D CA 1.667 55.659 54.000 -0.013 0.000 0.827 64 D CB -0.543 40.251 40.800 -0.010 0.000 0.966 64 D HN 0.269 nan 8.370 nan 0.000 0.456 65 V N 1.013 120.933 119.914 0.010 0.000 2.307 65 V HA -0.193 3.926 4.120 -0.002 0.000 0.245 65 V C 2.483 178.586 176.094 0.015 0.000 1.045 65 V CA 1.516 63.828 62.300 0.020 0.000 1.024 65 V CB -0.416 31.422 31.823 0.025 0.000 0.651 65 V HN 0.091 nan 8.190 nan 0.000 0.449 66 R N -0.189 120.315 120.500 0.007 0.000 2.092 66 R HA -0.103 4.237 4.340 -0.002 0.000 0.231 66 R C 2.421 178.724 176.300 0.004 0.000 1.119 66 R CA 1.820 57.922 56.100 0.004 0.000 0.970 66 R CB -0.609 29.690 30.300 -0.002 0.000 0.864 66 R HN 0.505 nan 8.270 nan 0.000 0.440 67 T N 1.411 115.965 114.554 0.000 0.000 2.777 67 T HA -0.098 4.251 4.350 -0.002 0.000 0.266 67 T C 1.636 176.341 174.700 0.009 0.000 1.040 67 T CA 0.865 62.966 62.100 0.000 0.000 1.141 67 T CB -0.127 68.735 68.868 -0.009 0.000 0.868 67 T HN 0.053 nan 8.240 nan 0.000 0.444 68 L N 1.319 122.550 121.223 0.014 0.000 2.156 68 L HA 0.178 4.517 4.340 -0.002 0.000 0.208 68 L C 2.410 179.303 176.870 0.037 0.000 1.095 68 L CA 1.457 56.312 54.840 0.025 0.000 0.770 68 L CB -0.590 41.486 42.059 0.028 0.000 0.914 68 L HN -0.017 nan 8.230 nan 0.000 0.439 69 R N 0.938 121.460 120.500 0.035 0.000 2.094 69 R HA -0.124 4.215 4.340 -0.002 0.000 0.239 69 R C -0.666 175.662 176.300 0.047 0.000 1.137 69 R CA 2.361 58.487 56.100 0.044 0.000 0.943 69 R CB -1.957 28.358 30.300 0.026 0.000 0.850 69 R HN 0.360 nan 8.270 nan 0.000 0.433 70 P HA -0.068 nan 4.420 nan 0.000 0.229 70 P C 0.235 177.558 177.300 0.038 0.000 1.160 70 P CA 1.105 64.224 63.100 0.031 0.000 0.777 70 P CB 0.058 31.770 31.700 0.019 0.000 0.814 71 R N -0.396 120.127 120.500 0.039 0.000 2.246 71 R HA 0.132 4.471 4.340 -0.002 0.000 0.199 71 R C 0.626 176.954 176.300 0.047 0.000 0.984 71 R CA 0.022 56.145 56.100 0.038 0.000 1.015 71 R CB -0.581 29.738 30.300 0.032 0.000 0.930 71 R HN 0.098 nan 8.270 nan 0.000 0.475 72 V N 2.897 122.848 119.914 0.061 0.000 2.509 72 V HA -0.094 4.025 4.120 -0.002 0.000 0.297 72 V C 1.540 177.665 176.094 0.052 0.000 1.014 72 V CA 0.786 63.124 62.300 0.063 0.000 1.127 72 V CB 0.763 32.642 31.823 0.094 0.000 0.925 72 V HN 0.198 nan 8.190 nan 0.000 0.480 73 K N 2.420 122.837 120.400 0.028 0.000 2.186 73 K HA -0.046 4.273 4.320 -0.002 0.000 0.202 73 K C 1.651 178.239 176.600 -0.021 0.000 1.052 73 K CA 1.350 57.646 56.287 0.014 0.000 0.965 73 K CB 0.160 32.670 32.500 0.016 0.000 0.746 73 K HN 0.984 nan 8.250 nan 0.000 0.457 74 T N -2.146 112.375 114.554 -0.055 0.000 2.947 74 T HA 0.292 4.641 4.350 -0.002 0.000 0.180 74 T C 0.320 174.834 174.700 -0.310 0.000 0.750 74 T CA -0.603 61.423 62.100 -0.122 0.000 1.687 74 T CB 0.219 69.040 68.868 -0.078 0.000 2.488 74 T HN -0.139 nan 8.240 nan 0.000 0.417 75 R N 0.059 120.384 120.500 -0.292 0.000 2.686 75 R HA 0.548 4.887 4.340 -0.002 0.000 0.283 75 R C -1.225 175.014 176.300 -0.101 0.000 0.978 75 R CA -0.665 55.154 56.100 -0.468 0.000 0.897 75 R CB 2.416 32.518 30.300 -0.330 0.000 1.192 75 R HN 0.544 nan 8.270 nan 0.000 0.457 76 M N 2.495 122.168 119.600 0.121 0.000 2.209 76 M HA 0.275 4.754 4.480 -0.002 0.000 0.355 76 M C -0.949 175.424 176.300 0.123 0.000 1.171 76 M CA -0.418 54.968 55.300 0.143 0.000 1.069 76 M CB 0.964 33.672 32.600 0.181 0.000 1.622 76 M HN 0.408 nan 8.290 nan 0.000 0.459 77 N N 5.753 124.495 118.700 0.071 0.000 2.564 77 N HA 0.311 5.050 4.740 -0.002 0.000 0.248 77 N C -1.941 173.596 175.510 0.046 0.000 0.986 77 N CA -0.394 52.688 53.050 0.054 0.000 0.921 77 N CB 0.961 39.468 38.487 0.032 0.000 1.136 77 N HN 0.817 nan 8.380 nan 0.000 0.509 78 L N 2.721 123.972 121.223 0.046 0.000 2.260 78 L HA 0.368 4.707 4.340 -0.002 0.000 0.289 78 L C -0.103 176.780 176.870 0.021 0.000 1.057 78 L CA -0.397 54.470 54.840 0.045 0.000 0.811 78 L CB 0.506 42.593 42.059 0.046 0.000 1.184 78 L HN 0.541 nan 8.230 nan 0.000 0.429 79 E N 4.205 124.412 120.200 0.011 0.000 2.283 79 E HA 0.380 4.729 4.350 -0.002 0.000 0.278 79 E C -0.668 175.927 176.600 -0.009 0.000 1.027 79 E CA -0.328 56.016 56.400 -0.093 0.000 0.843 79 E CB 1.361 30.900 29.700 -0.268 0.000 1.062 79 E HN 0.691 nan 8.360 nan 0.000 0.401 80 C N 0.052 119.319 119.300 -0.056 0.000 3.312 80 C HA 0.803 5.262 4.460 -0.002 0.000 0.332 80 C C -0.144 174.854 174.990 0.013 0.000 1.340 80 C CA -1.042 58.009 59.018 0.055 0.000 1.265 80 C CB 0.253 28.032 27.740 0.064 0.000 1.563 80 C HN 0.820 nan 8.230 nan 0.000 0.471 81 A N 0.660 123.516 122.820 0.060 0.000 2.304 81 A HA 0.627 4.946 4.320 -0.002 0.000 0.271 81 A C 0.181 177.766 177.584 0.001 0.000 1.091 81 A CA -0.324 51.730 52.037 0.028 0.000 0.812 81 A CB 0.177 19.202 19.000 0.042 0.000 1.056 81 A HN 1.733 nan 8.150 nan 0.000 0.489 82 V N 2.523 122.425 119.914 -0.019 0.000 2.008 82 V HA 0.226 4.345 4.120 -0.002 0.000 0.262 82 V C 0.617 176.698 176.094 -0.022 0.000 1.580 82 V CA 0.581 62.865 62.300 -0.027 0.000 1.515 82 V CB -1.392 30.404 31.823 -0.044 0.000 1.474 82 V HN 0.963 nan 8.190 nan 0.000 0.504 83 T N -0.269 114.278 114.554 -0.011 0.000 2.908 83 T HA 0.520 4.869 4.350 -0.002 0.000 0.290 83 T C -2.008 172.689 174.700 -0.005 0.000 1.034 83 T CA -2.182 59.914 62.100 -0.007 0.000 1.010 83 T CB 2.571 71.436 68.868 -0.004 0.000 1.068 83 T HN 0.119 nan 8.240 nan 0.000 0.481 84 P HA -0.080 nan 4.420 nan 0.000 0.218 84 P C 1.315 178.613 177.300 -0.004 0.000 1.148 84 P CA 0.984 64.081 63.100 -0.004 0.000 0.822 84 P CB 0.187 31.886 31.700 -0.003 0.000 0.784 85 E N -1.155 119.044 120.200 -0.003 0.000 2.112 85 E HA -0.025 4.324 4.350 -0.002 0.000 0.190 85 E C 1.898 178.497 176.600 -0.001 0.000 0.979 85 E CA 1.030 57.428 56.400 -0.003 0.000 0.814 85 E CB -0.803 28.895 29.700 -0.004 0.000 0.762 85 E HN 0.248 nan 8.360 nan 0.000 0.460 86 M N 0.475 120.076 119.600 0.002 0.000 2.254 86 M HA 0.004 4.483 4.480 -0.002 0.000 0.265 86 M C 2.454 178.758 176.300 0.006 0.000 1.066 86 M CA 0.902 56.206 55.300 0.008 0.000 1.123 86 M CB -0.933 31.678 32.600 0.017 0.000 1.388 86 M HN 0.057 nan 8.290 nan 0.000 0.425 87 L N -0.048 121.175 121.223 0.001 0.000 2.093 87 L HA -0.223 4.116 4.340 -0.002 0.000 0.208 87 L C 2.031 178.898 176.870 -0.004 0.000 1.085 87 L CA 0.874 55.713 54.840 -0.003 0.000 0.755 87 L CB -0.709 41.345 42.059 -0.008 0.000 0.904 87 L HN 0.245 nan 8.230 nan 0.000 0.435 88 D N 0.333 120.730 120.400 -0.004 0.000 2.117 88 D HA -0.162 4.477 4.640 -0.002 0.000 0.197 88 D C 2.292 178.589 176.300 -0.005 0.000 0.987 88 D CA 1.285 55.282 54.000 -0.006 0.000 0.829 88 D CB -0.101 40.696 40.800 -0.005 0.000 0.961 88 D HN 0.315 nan 8.370 nan 0.000 0.460 89 I N 1.292 121.861 120.570 -0.002 0.000 2.163 89 I HA -0.277 3.892 4.170 -0.002 0.000 0.243 89 I C 2.511 178.629 176.117 0.001 0.000 1.085 89 I CA 1.119 62.419 61.300 0.000 0.000 1.347 89 I CB -0.270 37.732 38.000 0.004 0.000 1.044 89 I HN -0.069 nan 8.210 nan 0.000 0.408 90 A N -0.111 122.711 122.820 0.003 0.000 1.902 90 A HA -0.236 4.083 4.320 -0.002 0.000 0.217 90 A C 2.368 179.948 177.584 -0.007 0.000 1.181 90 A CA 1.897 53.935 52.037 0.002 0.000 0.623 90 A CB -1.177 17.825 19.000 0.004 0.000 0.818 90 A HN 0.573 nan 8.150 nan 0.000 0.443 91 C N -0.864 118.430 119.300 -0.009 0.000 2.448 91 C HA 0.024 4.483 4.460 -0.002 0.000 0.280 91 C C 2.506 177.486 174.990 -0.016 0.000 1.398 91 C CA 0.901 59.910 59.018 -0.014 0.000 1.774 91 C CB -1.059 26.673 27.740 -0.014 0.000 1.888 91 C HN 0.769 nan 8.230 nan 0.000 0.519 92 E N 0.922 121.114 120.200 -0.013 0.000 2.051 92 E HA -0.060 4.289 4.350 -0.002 0.000 0.189 92 E C 1.911 178.501 176.600 -0.017 0.000 0.979 92 E CA 0.865 57.257 56.400 -0.013 0.000 0.803 92 E CB -0.049 29.645 29.700 -0.010 0.000 0.761 92 E HN 0.599 nan 8.360 nan 0.000 0.451 93 I N 0.724 121.285 120.570 -0.014 0.000 2.546 93 I HA -0.124 4.045 4.170 -0.002 0.000 0.255 93 I C 0.316 176.413 176.117 -0.033 0.000 1.163 93 I CA 0.494 61.785 61.300 -0.016 0.000 1.457 93 I CB -0.104 37.895 38.000 -0.003 0.000 1.092 93 I HN 0.096 nan 8.210 nan 0.000 0.434 94 R N -0.178 120.299 120.500 -0.039 0.000 3.205 94 R HA -0.136 4.203 4.340 -0.002 0.000 0.249 94 R C -2.348 173.888 176.300 -0.107 0.000 0.937 94 R CA -0.243 55.816 56.100 -0.068 0.000 0.641 94 R CB -1.973 28.278 30.300 -0.081 0.000 1.114 94 R HN 0.298 nan 8.270 nan 0.000 0.451 95 P HA -0.004 nan 4.420 nan 0.000 0.272 95 P C 0.313 177.578 177.300 -0.057 0.000 1.230 95 P CA 0.019 63.100 63.100 -0.031 0.000 0.788 95 P CB 0.478 32.201 31.700 0.039 0.000 0.949 96 H N -1.172 117.904 119.070 0.009 0.000 2.353 96 H HA 0.007 4.562 4.556 -0.002 0.000 0.300 96 H C 0.387 175.718 175.328 0.006 0.000 1.090 96 H CA 1.554 57.606 56.048 0.007 0.000 1.327 96 H CB -0.057 29.711 29.762 0.009 0.000 1.383 96 H HN 0.446 nan 8.280 nan 0.000 0.508 97 D N -0.963 119.523 120.400 0.142 0.000 2.490 97 D HA 0.647 5.286 4.640 -0.002 0.000 0.232 97 D C -0.645 175.685 176.300 0.050 0.000 1.053 97 D CA -0.602 53.443 54.000 0.075 0.000 0.914 97 D CB 2.302 43.138 40.800 0.062 0.000 1.431 97 D HN 0.241 nan 8.370 nan 0.000 0.483 98 A N 0.059 122.896 122.820 0.030 0.000 2.486 98 A HA 0.568 4.887 4.320 -0.002 0.000 0.300 98 A C -1.327 176.261 177.584 0.008 0.000 1.048 98 A CA -0.636 51.411 52.037 0.017 0.000 0.696 98 A CB 1.643 20.649 19.000 0.010 0.000 1.278 98 A HN 0.592 nan 8.150 nan 0.000 0.405 99 C N 3.820 123.115 119.300 -0.008 0.000 2.301 99 C HA 0.645 5.104 4.460 -0.002 0.000 0.323 99 C C -0.405 174.563 174.990 -0.037 0.000 1.265 99 C CA -0.670 58.341 59.018 -0.011 0.000 1.503 99 C CB -1.085 26.644 27.740 -0.020 0.000 2.195 99 C HN 0.737 nan 8.230 nan 0.000 0.477 100 L N 7.326 128.545 121.223 -0.006 0.000 2.361 100 L HA 0.505 4.844 4.340 -0.002 0.000 0.278 100 L C 0.284 177.157 176.870 0.005 0.000 1.113 100 L CA -0.025 54.807 54.840 -0.013 0.000 0.849 100 L CB 0.459 42.517 42.059 -0.002 0.000 1.155 100 L HN 0.606 nan 8.230 nan 0.000 0.452 101 V N 2.123 122.003 119.914 -0.056 0.000 2.823 101 V HA 0.705 4.824 4.120 -0.002 0.000 0.312 101 V C -2.527 173.563 176.094 -0.006 0.000 1.072 101 V CA -2.287 59.980 62.300 -0.055 0.000 0.937 101 V CB 1.793 33.417 31.823 -0.332 0.000 1.013 101 V HN 0.504 nan 8.190 nan 0.000 0.430 102 P HA 0.476 nan 4.420 nan 0.000 0.278 102 P C -0.402 176.936 177.300 0.065 0.000 1.238 102 P CA -0.028 63.100 63.100 0.046 0.000 0.794 102 P CB 2.103 33.850 31.700 0.078 0.000 0.955 103 E N 0.896 121.127 120.200 0.051 0.000 2.444 103 E HA 0.087 4.436 4.350 -0.002 0.000 0.203 103 E C 0.054 176.678 176.600 0.039 0.000 0.847 103 E CA 0.026 56.465 56.400 0.066 0.000 1.142 103 E CB 0.254 29.994 29.700 0.066 0.000 1.125 103 E HN 0.434 nan 8.360 nan 0.000 0.521 104 K N 1.282 121.693 120.400 0.018 0.000 2.185 104 K HA 0.210 4.529 4.320 -0.002 0.000 0.271 104 K C 0.725 177.340 176.600 0.024 0.000 1.013 104 K CA -0.282 56.014 56.287 0.016 0.000 0.943 104 K CB 1.237 33.740 32.500 0.005 0.000 0.998 104 K HN -0.140 nan 8.250 nan 0.000 0.468 105 R N 1.431 121.952 120.500 0.035 0.000 2.120 105 R HA -0.120 4.219 4.340 -0.002 0.000 0.234 105 R C 1.683 178.019 176.300 0.060 0.000 1.123 105 R CA 2.091 58.219 56.100 0.047 0.000 0.975 105 R CB -0.509 29.818 30.300 0.044 0.000 0.866 105 R HN 0.737 nan 8.270 nan 0.000 0.446 106 S N -0.407 115.331 115.700 0.064 0.000 2.500 106 S HA -0.088 4.381 4.470 -0.002 0.000 0.239 106 S C 1.200 175.895 174.600 0.158 0.000 0.989 106 S CA 1.128 59.395 58.200 0.112 0.000 0.951 106 S CB -0.192 63.077 63.200 0.115 0.000 0.759 106 S HN 0.537 nan 8.310 nan 0.000 0.523 107 E N 0.518 120.727 120.200 0.016 0.000 2.452 107 E HA 0.257 4.607 4.350 -0.002 0.000 0.197 107 E C 0.399 176.997 176.600 -0.004 0.000 1.022 107 E CA -0.037 56.270 56.400 -0.156 0.000 0.890 107 E CB 0.075 29.652 29.700 -0.206 0.000 0.918 107 E HN 0.700 nan 8.360 nan 0.000 0.496 108 L N -1.324 119.937 121.223 0.064 0.000 2.304 108 L HA 0.582 4.921 4.340 -0.002 0.000 0.268 108 L C 0.377 177.299 176.870 0.087 0.000 1.010 108 L CA -1.158 53.734 54.840 0.086 0.000 0.813 108 L CB 1.056 43.174 42.059 0.099 0.000 1.315 108 L HN -0.239 nan 8.230 nan 0.000 0.445 109 T N -3.656 110.940 114.554 0.070 0.000 2.849 109 T HA 0.276 4.625 4.350 -0.002 0.000 0.276 109 T C 1.221 175.941 174.700 0.033 0.000 0.971 109 T CA 0.094 62.220 62.100 0.044 0.000 0.949 109 T CB 0.959 69.837 68.868 0.017 0.000 1.093 109 T HN 0.891 nan 8.240 nan 0.000 0.545 110 T N -2.541 112.021 114.554 0.013 0.000 2.962 110 T HA -0.053 4.296 4.350 -0.002 0.000 0.270 110 T C 1.540 176.229 174.700 -0.017 0.000 1.088 110 T CA 1.308 63.411 62.100 0.006 0.000 1.127 110 T CB -0.451 68.417 68.868 -0.001 0.000 0.883 110 T HN 0.807 nan 8.240 nan 0.000 0.493 111 E N 1.083 121.253 120.200 -0.050 0.000 2.190 111 E HA 0.239 4.588 4.350 -0.002 0.000 0.191 111 E C 1.707 178.226 176.600 -0.134 0.000 0.978 111 E CA 0.716 57.036 56.400 -0.133 0.000 0.839 111 E CB -0.219 29.367 29.700 -0.192 0.000 0.787 111 E HN 0.632 nan 8.360 nan 0.000 0.473 112 G N -0.044 108.762 108.800 0.010 0.000 2.318 112 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.172 112 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.172 112 G C 0.424 175.499 174.900 0.292 0.000 1.002 112 G CA -0.192 45.024 45.100 0.193 0.000 0.697 112 G HN 0.521 nan 8.290 nan 0.000 0.483 113 G N -0.128 108.760 108.800 0.146 0.000 2.599 113 G HA2 0.535 4.494 3.960 -0.002 0.000 0.264 113 G HA3 0.535 4.494 3.960 -0.002 0.000 0.264 113 G C 0.471 175.418 174.900 0.079 0.000 1.200 113 G CA -0.553 44.546 45.100 -0.003 0.000 0.896 113 G HN 0.617 nan 8.290 nan 0.000 0.536 114 L N 0.276 121.554 121.223 0.092 0.000 2.559 114 L HA -0.027 4.312 4.340 -0.002 0.000 0.282 114 L C 0.275 177.191 176.870 0.075 0.000 1.232 114 L CA -0.065 54.825 54.840 0.083 0.000 0.885 114 L CB 0.582 42.686 42.059 0.075 0.000 1.131 114 L HN 0.489 nan 8.230 nan 0.000 0.498 115 D N 3.307 123.777 120.400 0.118 0.000 2.558 115 D HA 0.094 4.733 4.640 -0.002 0.000 0.221 115 D C 0.951 177.379 176.300 0.214 0.000 1.143 115 D CA -0.198 53.903 54.000 0.169 0.000 1.010 115 D CB 0.763 41.706 40.800 0.239 0.000 1.068 115 D HN 0.244 nan 8.370 nan 0.000 0.511 116 V N 2.750 122.751 119.914 0.145 0.000 2.407 116 V HA -0.217 3.902 4.120 -0.002 0.000 0.248 116 V C 2.509 178.735 176.094 0.221 0.000 1.055 116 V CA 0.992 63.392 62.300 0.167 0.000 1.049 116 V CB -0.287 31.615 31.823 0.131 0.000 0.662 116 V HN 0.407 nan 8.190 nan 0.000 0.455 117 V N 1.084 121.091 119.914 0.155 0.000 2.252 117 V HA -0.271 3.848 4.120 -0.002 0.000 0.249 117 V C 2.570 178.714 176.094 0.083 0.000 1.056 117 V CA 2.519 64.883 62.300 0.107 0.000 1.022 117 V CB -1.304 30.543 31.823 0.040 0.000 0.641 117 V HN 0.626 nan 8.190 nan 0.000 0.445 118 G N -1.967 106.857 108.800 0.040 0.000 2.572 118 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.216 118 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.216 118 G C 0.967 175.686 174.900 -0.302 0.000 1.133 118 G CA 0.357 45.379 45.100 -0.130 0.000 0.791 118 G HN 0.674 nan 8.290 nan 0.000 0.538 119 H N -1.095 118.033 119.070 0.096 0.000 2.492 119 H HA 0.192 4.748 4.556 -0.000 0.000 0.264 119 H C 0.915 176.296 175.328 0.089 0.000 1.150 119 H CA -0.884 55.210 56.048 0.076 0.000 0.962 119 H CB 0.101 29.889 29.762 0.043 0.000 1.766 119 H HN 0.268 nan 8.280 nan 0.000 0.589 120 F N 2.502 122.488 119.950 0.059 0.000 2.065 120 F HA -0.255 4.271 4.527 -0.002 0.000 0.298 120 F C 1.764 177.586 175.800 0.036 0.000 1.112 120 F CA 1.805 59.829 58.000 0.040 0.000 1.212 120 F CB 0.211 39.218 39.000 0.011 0.000 0.975 120 F HN 0.073 nan 8.300 nan 0.000 0.476 121 D N 0.333 120.786 120.400 0.089 0.000 2.117 121 D HA -0.166 4.473 4.640 -0.002 0.000 0.197 121 D C 2.381 178.630 176.300 -0.085 0.000 0.987 121 D CA 1.542 55.535 54.000 -0.012 0.000 0.829 121 D CB -0.729 40.122 40.800 0.085 0.000 0.961 121 D HN 0.406 nan 8.370 nan 0.000 0.460 122 A N 0.665 123.475 122.820 -0.016 0.000 1.902 122 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 122 A C 2.562 180.106 177.584 -0.066 0.000 1.181 122 A CA 1.266 53.295 52.037 -0.013 0.000 0.623 122 A CB -0.703 18.326 19.000 0.048 0.000 0.818 122 A HN 0.149 nan 8.150 nan 0.000 0.443 123 V N 0.062 119.918 119.914 -0.097 0.000 2.358 123 V HA -0.233 3.886 4.120 -0.002 0.000 0.246 123 V C 2.628 178.599 176.094 -0.203 0.000 1.047 123 V CA 2.186 64.410 62.300 -0.128 0.000 1.035 123 V CB -0.840 30.919 31.823 -0.107 0.000 0.658 123 V HN 0.695 nan 8.190 nan 0.000 0.452 124 R N 0.431 120.713 120.500 -0.364 0.000 2.105 124 R HA -0.170 4.169 4.340 -0.002 0.000 0.239 124 R C 2.206 178.396 176.300 -0.185 0.000 1.135 124 R CA 1.678 57.566 56.100 -0.353 0.000 0.967 124 R CB -0.384 29.596 30.300 -0.533 0.000 0.861 124 R HN 0.488 nan 8.270 nan 0.000 0.442 125 A N 0.718 123.453 122.820 -0.142 0.000 1.873 125 A HA -0.029 4.290 4.320 -0.002 0.000 0.215 125 A C 2.391 179.936 177.584 -0.065 0.000 1.186 125 A CA 1.423 53.412 52.037 -0.081 0.000 0.616 125 A CB -0.841 18.126 19.000 -0.055 0.000 0.823 125 A HN 0.521 nan 8.150 nan 0.000 0.442 126 A N -0.678 122.104 122.820 -0.065 0.000 1.892 126 A HA -0.242 4.077 4.320 -0.002 0.000 0.218 126 A C 2.308 179.863 177.584 -0.049 0.000 1.188 126 A CA 1.853 53.861 52.037 -0.048 0.000 0.631 126 A CB -1.471 17.502 19.000 -0.044 0.000 0.822 126 A HN 0.619 nan 8.150 nan 0.000 0.447 127 C N -0.732 118.528 119.300 -0.066 0.000 2.403 127 C HA -0.102 4.357 4.460 -0.002 0.000 0.277 127 C C 2.730 177.690 174.990 -0.049 0.000 1.248 127 C CA 1.373 60.356 59.018 -0.059 0.000 1.762 127 C CB -0.922 26.770 27.740 -0.080 0.000 2.014 127 C HN 0.623 nan 8.230 nan 0.000 0.486 128 K N 0.830 121.197 120.400 -0.054 0.000 2.031 128 K HA -0.171 4.148 4.320 -0.002 0.000 0.205 128 K C 2.363 178.945 176.600 -0.031 0.000 1.049 128 K CA 1.854 58.116 56.287 -0.042 0.000 0.939 128 K CB -0.368 32.106 32.500 -0.043 0.000 0.717 128 K HN 0.762 nan 8.250 nan 0.000 0.438 129 Q N 0.289 120.071 119.800 -0.030 0.000 2.119 129 Q HA -0.104 4.235 4.340 -0.002 0.000 0.201 129 Q C 2.194 178.182 176.000 -0.021 0.000 0.972 129 Q CA 1.089 56.879 55.803 -0.023 0.000 0.847 129 Q CB -0.383 28.343 28.738 -0.021 0.000 0.903 129 Q HN 0.223 nan 8.270 nan 0.000 0.433 130 L N 0.844 122.054 121.223 -0.022 0.000 2.017 130 L HA -0.158 4.181 4.340 -0.002 0.000 0.208 130 L C 2.778 179.638 176.870 -0.017 0.000 1.073 130 L CA 1.127 55.956 54.840 -0.018 0.000 0.745 130 L CB -0.730 41.319 42.059 -0.016 0.000 0.894 130 L HN 0.429 nan 8.230 nan 0.000 0.432 131 A N -0.291 122.518 122.820 -0.018 0.000 1.933 131 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 131 A C 1.896 179.471 177.584 -0.015 0.000 1.175 131 A CA 1.936 53.964 52.037 -0.015 0.000 0.628 131 A CB -0.510 18.480 19.000 -0.017 0.000 0.814 131 A HN 0.361 nan 8.150 nan 0.000 0.444 132 D N 0.039 120.429 120.400 -0.017 0.000 2.178 132 D HA -0.025 4.614 4.640 -0.002 0.000 0.201 132 D C 1.691 177.982 176.300 -0.016 0.000 0.980 132 D CA 1.400 55.391 54.000 -0.015 0.000 0.842 132 D CB -0.220 40.571 40.800 -0.015 0.000 0.948 132 D HN 0.440 nan 8.370 nan 0.000 0.472 133 A N -0.436 122.373 122.820 -0.018 0.000 2.370 133 A HA 0.468 4.787 4.320 -0.002 0.000 0.238 133 A C 1.548 179.117 177.584 -0.025 0.000 1.289 133 A CA 0.665 52.690 52.037 -0.021 0.000 0.885 133 A CB -0.301 18.686 19.000 -0.021 0.000 0.961 133 A HN 0.182 nan 8.150 nan 0.000 0.499 134 G N -1.104 107.684 108.800 -0.020 0.000 2.160 134 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.251 134 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.251 134 G C 0.082 174.970 174.900 -0.020 0.000 1.008 134 G CA 0.277 45.364 45.100 -0.020 0.000 0.724 134 G HN 0.832 nan 8.290 nan 0.000 0.514 135 V N 0.388 120.292 119.914 -0.015 0.000 2.439 135 V HA 0.477 4.596 4.120 -0.002 0.000 0.282 135 V C 1.007 177.105 176.094 0.006 0.000 1.039 135 V CA -0.642 61.655 62.300 -0.005 0.000 0.913 135 V CB 1.595 33.414 31.823 -0.007 0.000 0.983 135 V HN 0.496 nan 8.190 nan 0.000 0.460 136 R N 4.128 124.641 120.500 0.022 0.000 2.242 136 R HA 0.416 4.755 4.340 -0.002 0.000 0.334 136 R C -1.009 175.303 176.300 0.020 0.000 1.071 136 R CA -0.222 55.892 56.100 0.023 0.000 0.922 136 R CB 0.615 30.935 30.300 0.034 0.000 1.023 136 R HN 0.558 nan 8.270 nan 0.000 0.458 137 V N 3.956 123.877 119.914 0.011 0.000 2.465 137 V HA 0.252 4.371 4.120 -0.002 0.000 0.279 137 V C 0.131 176.233 176.094 0.014 0.000 1.045 137 V CA -0.236 62.069 62.300 0.008 0.000 0.938 137 V CB 1.478 33.298 31.823 -0.005 0.000 0.986 137 V HN 0.843 nan 8.190 nan 0.000 0.467 138 S N 5.227 120.938 115.700 0.019 0.000 2.532 138 S HA 0.768 5.237 4.470 -0.002 0.000 0.301 138 S C -0.997 173.626 174.600 0.039 0.000 1.083 138 S CA -0.696 57.522 58.200 0.031 0.000 1.025 138 S CB 1.047 64.270 63.200 0.038 0.000 1.056 138 S HN 0.544 nan 8.310 nan 0.000 0.494 139 L N 4.239 125.491 121.223 0.048 0.000 2.305 139 L HA 0.516 4.855 4.340 -0.002 0.000 0.284 139 L C -0.632 176.298 176.870 0.101 0.000 1.013 139 L CA -0.729 54.149 54.840 0.063 0.000 0.819 139 L CB 1.292 43.374 42.059 0.038 0.000 1.227 139 L HN 0.718 nan 8.230 nan 0.000 0.417 140 F N 6.455 126.389 119.950 -0.026 0.000 2.434 140 F HA 0.484 5.013 4.527 0.004 0.000 0.358 140 F C 0.130 175.929 175.800 -0.001 0.000 1.136 140 F CA -0.485 57.497 58.000 -0.029 0.000 1.157 140 F CB 0.222 39.183 39.000 -0.066 0.000 1.167 140 F HN 0.323 nan 8.300 nan 0.000 0.539 141 I N 2.044 122.373 120.570 -0.401 0.000 3.042 141 I HA 0.524 4.693 4.170 -0.002 0.000 0.310 141 I C -0.943 174.971 176.117 -0.339 0.000 1.117 141 I CA -1.244 59.883 61.300 -0.289 0.000 1.003 141 I CB 1.787 39.721 38.000 -0.112 0.000 1.228 141 I HN 0.208 nan 8.210 nan 0.000 0.443 142 D N 3.664 123.938 120.400 -0.210 0.000 2.362 142 D HA 0.200 4.839 4.640 -0.002 0.000 0.242 142 D C -2.163 174.055 176.300 -0.137 0.000 1.132 142 D CA -1.032 52.861 54.000 -0.177 0.000 0.907 142 D CB 0.632 41.347 40.800 -0.142 0.000 1.195 142 D HN 0.428 nan 8.370 nan 0.000 0.429 143 P HA 0.071 nan 4.420 nan 0.000 0.226 143 P C -0.633 176.613 177.300 -0.090 0.000 1.783 143 P CA 0.087 63.123 63.100 -0.107 0.000 0.980 143 P CB 0.048 31.680 31.700 -0.113 0.000 1.967 144 D N 0.767 121.121 120.400 -0.077 0.000 2.502 144 D HA 0.063 4.702 4.640 -0.002 0.000 0.249 144 D C 0.571 176.843 176.300 -0.047 0.000 1.092 144 D CA -0.458 53.506 54.000 -0.060 0.000 0.839 144 D CB 2.007 42.774 40.800 -0.055 0.000 1.264 144 D HN 0.044 nan 8.370 nan 0.000 0.511 145 E N 2.659 122.833 120.200 -0.044 0.000 2.110 145 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 145 E C 1.696 178.281 176.600 -0.024 0.000 0.988 145 E CA 1.174 57.551 56.400 -0.038 0.000 0.804 145 E CB 0.169 29.845 29.700 -0.040 0.000 0.745 145 E HN 0.601 nan 8.360 nan 0.000 0.458 146 A N 0.864 123.671 122.820 -0.022 0.000 1.902 146 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 146 A C 2.102 179.688 177.584 0.004 0.000 1.181 146 A CA 1.245 53.274 52.037 -0.013 0.000 0.623 146 A CB -0.360 18.630 19.000 -0.017 0.000 0.818 146 A HN 0.231 nan 8.150 nan 0.000 0.443 147 Q N -0.324 119.477 119.800 0.001 0.000 2.119 147 Q HA -0.056 4.283 4.340 -0.002 0.000 0.201 147 Q C 2.143 178.160 176.000 0.028 0.000 0.972 147 Q CA 1.165 56.979 55.803 0.018 0.000 0.847 147 Q CB -0.382 28.355 28.738 -0.002 0.000 0.903 147 Q HN 0.784 nan 8.270 nan 0.000 0.433 148 I N 0.411 120.986 120.570 0.008 0.000 2.202 148 I HA -0.265 3.904 4.170 -0.002 0.000 0.242 148 I C 2.532 178.681 176.117 0.054 0.000 1.091 148 I CA 1.025 62.334 61.300 0.015 0.000 1.368 148 I CB -0.279 37.710 38.000 -0.017 0.000 1.058 148 I HN 0.157 nan 8.210 nan 0.000 0.410 149 R N 0.859 121.384 120.500 0.042 0.000 2.091 149 R HA -0.171 4.168 4.340 -0.002 0.000 0.238 149 R C 2.431 178.806 176.300 0.125 0.000 1.136 149 R CA 1.658 57.802 56.100 0.075 0.000 0.959 149 R CB -0.530 29.789 30.300 0.031 0.000 0.856 149 R HN 0.380 nan 8.270 nan 0.000 0.437 150 A N 1.203 124.084 122.820 0.102 0.000 1.933 150 A HA -0.087 4.232 4.320 -0.002 0.000 0.218 150 A C 2.381 180.106 177.584 0.234 0.000 1.175 150 A CA 1.598 53.736 52.037 0.168 0.000 0.628 150 A CB -0.517 18.574 19.000 0.152 0.000 0.814 150 A HN 0.402 nan 8.150 nan 0.000 0.444 151 A N -1.083 121.828 122.820 0.152 0.000 1.902 151 A HA -0.240 4.080 4.320 -0.002 0.000 0.217 151 A C 2.136 179.794 177.584 0.123 0.000 1.181 151 A CA 1.760 53.865 52.037 0.114 0.000 0.623 151 A CB -0.979 18.066 19.000 0.075 0.000 0.818 151 A HN 0.785 nan 8.150 nan 0.000 0.443 152 H N -0.054 119.054 119.070 0.063 0.000 2.389 152 H HA -0.085 4.470 4.556 -0.002 0.000 0.299 152 H C 1.764 177.142 175.328 0.083 0.000 1.081 152 H CA 1.756 57.835 56.048 0.052 0.000 1.345 152 H CB 0.037 29.818 29.762 0.032 0.000 1.393 152 H HN 0.645 nan 8.280 nan 0.000 0.520 153 E N -0.123 120.099 120.200 0.038 0.000 2.204 153 E HA -0.115 4.234 4.350 -0.002 0.000 0.194 153 E C 2.256 178.940 176.600 0.140 0.000 0.989 153 E CA 1.476 57.923 56.400 0.078 0.000 0.824 153 E CB 0.008 29.845 29.700 0.228 0.000 0.756 153 E HN 0.613 nan 8.360 nan 0.000 0.477 154 T N -2.696 111.910 114.554 0.088 0.000 2.962 154 T HA -0.001 4.348 4.350 -0.002 0.000 0.270 154 T C 1.717 176.342 174.700 -0.124 0.000 1.088 154 T CA 0.948 62.960 62.100 -0.147 0.000 1.127 154 T CB 0.025 68.782 68.868 -0.185 0.000 0.883 154 T HN 0.334 nan 8.240 nan 0.000 0.493 155 G N 1.002 109.738 108.800 -0.107 0.000 2.195 155 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.224 155 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.224 155 G C 0.316 175.180 174.900 -0.060 0.000 0.990 155 G CA -0.102 44.940 45.100 -0.097 0.000 0.639 155 G HN 1.248 nan 8.290 nan 0.000 0.514 156 A N 1.287 124.081 122.820 -0.043 0.000 2.524 156 A HA 0.603 4.922 4.320 -0.002 0.000 0.250 156 A C -0.002 177.590 177.584 0.013 0.000 1.078 156 A CA -0.000 52.029 52.037 -0.013 0.000 0.761 156 A CB 0.481 19.478 19.000 -0.004 0.000 1.012 156 A HN 0.174 nan 8.150 nan 0.000 0.500 157 P HA 0.025 nan 4.420 nan 0.000 0.229 157 P C -0.005 177.316 177.300 0.035 0.000 1.160 157 P CA 0.836 63.954 63.100 0.030 0.000 0.777 157 P CB 0.024 31.736 31.700 0.021 0.000 0.814 158 V N 1.149 121.080 119.914 0.029 0.000 2.876 158 V HA 0.442 4.561 4.120 -0.002 0.000 0.312 158 V C 0.156 176.268 176.094 0.029 0.000 1.085 158 V CA -1.091 61.225 62.300 0.027 0.000 0.945 158 V CB 2.469 34.306 31.823 0.024 0.000 1.017 158 V HN -0.083 nan 8.190 nan 0.000 0.428 159 I N -0.156 120.428 120.570 0.024 0.000 2.689 159 I HA 0.803 4.972 4.170 -0.002 0.000 0.299 159 I C -0.648 175.483 176.117 0.023 0.000 1.059 159 I CA -0.613 60.700 61.300 0.021 0.000 1.055 159 I CB 2.260 40.264 38.000 0.006 0.000 1.243 159 I HN 0.740 nan 8.210 nan 0.000 0.425 160 E N 5.828 126.053 120.200 0.042 0.000 2.155 160 E HA 0.497 4.846 4.350 -0.002 0.000 0.264 160 E C -1.468 175.130 176.600 -0.003 0.000 0.886 160 E CA -0.719 55.724 56.400 0.071 0.000 0.752 160 E CB 1.515 31.326 29.700 0.184 0.000 1.133 160 E HN 0.679 nan 8.360 nan 0.000 0.414 161 L N 3.588 124.794 121.223 -0.029 0.000 2.371 161 L HA 0.187 4.526 4.340 -0.002 0.000 0.272 161 L C 0.437 177.272 176.870 -0.058 0.000 1.124 161 L CA -0.660 54.127 54.840 -0.089 0.000 0.816 161 L CB 0.569 42.582 42.059 -0.077 0.000 1.129 161 L HN 0.571 nan 8.230 nan 0.000 0.448 162 H N 2.286 121.170 119.070 -0.310 0.000 3.004 162 H HA 0.074 4.629 4.556 -0.001 0.000 0.267 162 H C 0.593 175.880 175.328 -0.068 0.000 1.165 162 H CA -0.507 55.371 56.048 -0.284 0.000 1.450 162 H CB 0.655 30.078 29.762 -0.564 0.000 1.488 162 H HN 0.657 nan 8.280 nan 0.000 0.478 163 T N 0.517 115.273 114.554 0.337 0.000 3.252 163 T HA 0.069 4.418 4.350 -0.002 0.000 0.250 163 T C 2.109 177.029 174.700 0.367 0.000 1.123 163 T CA 0.140 62.414 62.100 0.290 0.000 1.006 163 T CB 0.048 69.059 68.868 0.240 0.000 0.992 163 T HN 0.543 nan 8.240 nan 0.000 0.547 164 G N 2.199 111.275 108.800 0.461 0.000 2.459 164 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.217 164 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.217 164 G C 1.758 176.730 174.900 0.120 0.000 1.183 164 G CA 0.333 45.638 45.100 0.342 0.000 0.776 164 G HN 0.468 nan 8.290 nan 0.000 0.552 165 R N -1.061 119.431 120.500 -0.013 0.000 2.096 165 R HA -0.069 4.270 4.340 -0.002 0.000 0.235 165 R C 2.283 178.597 176.300 0.024 0.000 1.127 165 R CA 1.312 57.387 56.100 -0.041 0.000 0.968 165 R CB -0.500 29.746 30.300 -0.090 0.000 0.861 165 R HN 0.566 nan 8.270 nan 0.000 0.440 166 Y N 0.695 120.986 120.300 -0.014 0.000 2.097 166 Y HA -0.322 4.226 4.550 -0.002 0.000 0.282 166 Y C 2.187 178.093 175.900 0.010 0.000 1.152 166 Y CA 1.790 59.901 58.100 0.017 0.000 1.136 166 Y CB -0.327 38.164 38.460 0.052 0.000 0.975 166 Y HN 0.089 nan 8.280 nan 0.000 0.498 167 A N 0.161 122.924 122.820 -0.096 0.000 1.883 167 A HA -0.199 4.120 4.320 -0.002 0.000 0.217 167 A C 1.618 179.110 177.584 -0.153 0.000 1.186 167 A CA 1.988 53.898 52.037 -0.212 0.000 0.624 167 A CB -0.786 18.211 19.000 -0.005 0.000 0.822 167 A HN 0.599 nan 8.150 nan 0.000 0.444 168 D N 0.327 120.690 120.400 -0.062 0.000 2.324 168 D HA 0.323 4.962 4.640 -0.002 0.000 0.235 168 D C 0.648 176.861 176.300 -0.146 0.000 1.095 168 D CA 0.662 54.634 54.000 -0.047 0.000 0.871 168 D CB -0.378 40.418 40.800 -0.007 0.000 0.906 168 D HN 0.444 nan 8.370 nan 0.000 0.522 169 A N 0.701 123.416 122.820 -0.175 0.000 2.540 169 A HA -0.072 4.247 4.320 -0.002 0.000 0.239 169 A C 0.998 178.528 177.584 -0.090 0.000 1.061 169 A CA 0.144 52.068 52.037 -0.189 0.000 0.758 169 A CB 0.278 19.197 19.000 -0.135 0.000 0.991 169 A HN 0.206 nan 8.150 nan 0.000 0.502 170 H N 1.026 120.090 119.070 -0.011 0.000 2.436 170 H HA 0.050 4.604 4.556 -0.003 0.000 0.294 170 H C 0.120 175.444 175.328 -0.007 0.000 1.048 170 H CA 1.506 57.551 56.048 -0.005 0.000 1.353 170 H CB 0.100 29.863 29.762 0.002 0.000 1.414 170 H HN 0.934 nan 8.280 nan 0.000 0.536 171 D N -2.532 117.931 120.400 0.105 0.000 2.652 171 D HA 0.464 5.104 4.640 -0.002 0.000 0.285 171 D C 0.926 177.241 176.300 0.024 0.000 1.173 171 D CA -0.249 53.784 54.000 0.055 0.000 0.981 171 D CB 0.544 41.377 40.800 0.055 0.000 1.440 171 D HN -0.069 nan 8.370 nan 0.000 0.485 172 A N -0.051 122.778 122.820 0.016 0.000 1.930 172 A HA 0.181 4.500 4.320 -0.002 0.000 0.217 172 A C 2.115 179.710 177.584 0.018 0.000 1.175 172 A CA 2.122 54.163 52.037 0.008 0.000 0.627 172 A CB -1.331 17.670 19.000 0.003 0.000 0.815 172 A HN 0.690 nan 8.150 nan 0.000 0.443 173 A N -0.454 122.380 122.820 0.023 0.000 1.902 173 A HA -0.186 4.133 4.320 -0.002 0.000 0.217 173 A C 2.057 179.663 177.584 0.036 0.000 1.181 173 A CA 1.737 53.791 52.037 0.029 0.000 0.623 173 A CB -0.478 18.537 19.000 0.026 0.000 0.818 173 A HN 0.629 nan 8.150 nan 0.000 0.443 174 E N -0.748 119.471 120.200 0.031 0.000 2.107 174 E HA -0.230 4.119 4.350 -0.002 0.000 0.191 174 E C 2.216 178.837 176.600 0.035 0.000 0.982 174 E CA 1.170 57.584 56.400 0.023 0.000 0.809 174 E CB -0.118 29.585 29.700 0.004 0.000 0.756 174 E HN 0.771 nan 8.360 nan 0.000 0.459 175 Q N 0.546 120.363 119.800 0.028 0.000 2.084 175 Q HA -0.260 4.080 4.340 -0.002 0.000 0.202 175 Q C 2.216 178.327 176.000 0.184 0.000 0.978 175 Q CA 1.906 57.742 55.803 0.055 0.000 0.844 175 Q CB -0.024 28.692 28.738 -0.035 0.000 0.898 175 Q HN 0.256 nan 8.270 nan 0.000 0.426 176 Q N 0.068 119.945 119.800 0.129 0.000 2.061 176 Q HA -0.243 4.096 4.340 -0.002 0.000 0.204 176 Q C 2.114 178.236 176.000 0.203 0.000 0.984 176 Q CA 1.652 57.554 55.803 0.165 0.000 0.846 176 Q CB -0.041 28.748 28.738 0.085 0.000 0.902 176 Q HN 0.255 nan 8.270 nan 0.000 0.421 177 R N -0.150 120.425 120.500 0.125 0.000 2.094 177 R HA -0.170 4.169 4.340 -0.002 0.000 0.239 177 R C 2.207 178.563 176.300 0.094 0.000 1.137 177 R CA 1.845 57.998 56.100 0.088 0.000 0.943 177 R CB -0.004 30.326 30.300 0.050 0.000 0.850 177 R HN 0.315 nan 8.270 nan 0.000 0.433 178 E N -0.270 120.004 120.200 0.124 0.000 2.110 178 E HA -0.210 4.139 4.350 -0.002 0.000 0.193 178 E C 1.721 178.416 176.600 0.158 0.000 0.988 178 E CA 0.910 57.386 56.400 0.128 0.000 0.804 178 E CB -0.345 29.450 29.700 0.157 0.000 0.745 178 E HN 0.324 nan 8.360 nan 0.000 0.458 179 F N 2.236 122.255 119.950 0.113 0.000 2.126 179 F HA -0.176 4.349 4.527 -0.003 0.000 0.299 179 F C 2.032 177.793 175.800 -0.065 0.000 1.096 179 F CA 1.590 59.573 58.000 -0.029 0.000 1.255 179 F CB 0.052 39.070 39.000 0.029 0.000 0.997 179 F HN -0.020 nan 8.300 nan 0.000 0.479 180 E N -0.203 119.990 120.200 -0.011 0.000 2.072 180 E HA -0.195 4.154 4.350 -0.002 0.000 0.191 180 E C 2.320 178.818 176.600 -0.171 0.000 0.985 180 E CA 0.988 57.320 56.400 -0.114 0.000 0.801 180 E CB -0.168 29.541 29.700 0.014 0.000 0.750 180 E HN 0.404 nan 8.360 nan 0.000 0.452 181 R N 0.392 120.824 120.500 -0.113 0.000 2.103 181 R HA -0.160 4.179 4.340 -0.002 0.000 0.242 181 R C 2.288 178.481 176.300 -0.178 0.000 1.142 181 R CA 1.110 57.140 56.100 -0.117 0.000 0.960 181 R CB -0.193 30.061 30.300 -0.078 0.000 0.858 181 R HN 0.186 nan 8.270 nan 0.000 0.439 182 I N 0.386 120.804 120.570 -0.253 0.000 2.202 182 I HA -0.188 3.981 4.170 -0.002 0.000 0.242 182 I C 2.552 178.452 176.117 -0.363 0.000 1.091 182 I CA 1.294 62.410 61.300 -0.306 0.000 1.368 182 I CB -1.420 36.348 38.000 -0.386 0.000 1.058 182 I HN 0.157 nan 8.210 nan 0.000 0.410 183 A N 1.094 123.592 122.820 -0.536 0.000 1.892 183 A HA -0.272 4.047 4.320 -0.002 0.000 0.218 183 A C 2.445 179.876 177.584 -0.255 0.000 1.188 183 A CA 3.065 54.829 52.037 -0.455 0.000 0.631 183 A CB -1.250 17.426 19.000 -0.540 0.000 0.822 183 A HN 0.561 nan 8.150 nan 0.000 0.447 184 T N -3.050 111.379 114.554 -0.208 0.000 2.951 184 T HA 0.117 4.466 4.350 -0.002 0.000 0.268 184 T C 1.876 176.502 174.700 -0.123 0.000 1.073 184 T CA 1.498 63.515 62.100 -0.137 0.000 1.134 184 T CB -0.714 68.091 68.868 -0.105 0.000 0.884 184 T HN 0.430 nan 8.240 nan 0.000 0.479 185 G N 1.273 109.991 108.800 -0.137 0.000 2.440 185 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.218 185 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.218 185 G C 1.620 176.453 174.900 -0.111 0.000 1.154 185 G CA 1.021 46.051 45.100 -0.117 0.000 0.767 185 G HN 0.477 nan 8.290 nan 0.000 0.552 186 V N 1.429 121.263 119.914 -0.134 0.000 2.295 186 V HA -0.170 3.949 4.120 -0.002 0.000 0.246 186 V C 2.630 178.665 176.094 -0.097 0.000 1.049 186 V CA 2.214 64.444 62.300 -0.116 0.000 1.024 186 V CB -0.451 31.289 31.823 -0.138 0.000 0.648 186 V HN 0.296 nan 8.190 nan 0.000 0.447 187 D N 0.591 120.930 120.400 -0.103 0.000 2.104 187 D HA -0.178 4.461 4.640 -0.002 0.000 0.194 187 D C 2.226 178.479 176.300 -0.078 0.000 0.994 187 D CA 1.848 55.797 54.000 -0.085 0.000 0.830 187 D CB -0.431 40.319 40.800 -0.083 0.000 0.959 187 D HN 0.454 nan 8.370 nan 0.000 0.452 188 A N 0.856 123.629 122.820 -0.080 0.000 1.902 188 A HA -0.036 4.283 4.320 -0.002 0.000 0.217 188 A C 2.398 179.934 177.584 -0.080 0.000 1.181 188 A CA 2.183 54.174 52.037 -0.076 0.000 0.623 188 A CB -1.074 17.884 19.000 -0.070 0.000 0.818 188 A HN 0.315 nan 8.150 nan 0.000 0.443 189 G N 0.079 108.835 108.800 -0.072 0.000 2.421 189 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.216 189 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.216 189 G C 1.364 176.225 174.900 -0.066 0.000 1.171 189 G CA 1.104 46.167 45.100 -0.062 0.000 0.775 189 G HN 0.350 nan 8.290 nan 0.000 0.543 190 I N 2.097 122.628 120.570 -0.065 0.000 2.286 190 I HA -0.126 4.043 4.170 -0.002 0.000 0.248 190 I C 3.221 179.297 176.117 -0.069 0.000 1.115 190 I CA 1.007 62.271 61.300 -0.059 0.000 1.392 190 I CB -1.376 36.590 38.000 -0.057 0.000 1.065 190 I HN 0.256 nan 8.210 nan 0.000 0.418 191 A N 0.244 123.016 122.820 -0.081 0.000 2.019 191 A HA -0.137 4.182 4.320 -0.002 0.000 0.219 191 A C 1.918 179.425 177.584 -0.128 0.000 1.164 191 A CA 1.190 53.174 52.037 -0.089 0.000 0.644 191 A CB -0.503 18.447 19.000 -0.083 0.000 0.805 191 A HN 0.324 nan 8.150 nan 0.000 0.449 192 L N -1.037 120.078 121.223 -0.180 0.000 2.611 192 L HA 0.271 4.610 4.340 -0.002 0.000 0.229 192 L C 1.663 178.396 176.870 -0.229 0.000 1.137 192 L CA 0.794 55.424 54.840 -0.350 0.000 0.901 192 L CB -0.894 40.833 42.059 -0.553 0.000 1.098 192 L HN 0.611 nan 8.230 nan 0.000 0.456 193 G N -0.229 108.514 108.800 -0.095 0.000 2.153 193 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.252 193 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.252 193 G C 0.399 175.310 174.900 0.018 0.000 0.994 193 G CA 0.212 45.299 45.100 -0.021 0.000 0.698 193 G HN 0.315 nan 8.290 nan 0.000 0.521 194 L N 0.192 121.420 121.223 0.009 0.000 2.371 194 L HA 0.385 4.724 4.340 -0.002 0.000 0.272 194 L C 1.061 177.934 176.870 0.005 0.000 1.124 194 L CA -0.568 54.290 54.840 0.030 0.000 0.816 194 L CB 1.080 43.159 42.059 0.034 0.000 1.129 194 L HN 0.175 nan 8.230 nan 0.000 0.448 195 K N 2.677 123.083 120.400 0.010 0.000 2.249 195 K HA 0.412 4.731 4.320 -0.002 0.000 0.280 195 K C -0.983 175.615 176.600 -0.004 0.000 1.033 195 K CA -0.424 55.862 56.287 -0.001 0.000 0.946 195 K CB 1.473 33.975 32.500 0.004 0.000 1.005 195 K HN 0.413 nan 8.250 nan 0.000 0.469 196 V N 4.171 124.075 119.914 -0.016 0.000 2.531 196 V HA 0.482 4.601 4.120 -0.002 0.000 0.301 196 V C -1.391 174.692 176.094 -0.019 0.000 1.034 196 V CA -0.753 61.535 62.300 -0.020 0.000 0.865 196 V CB 1.613 33.414 31.823 -0.038 0.000 0.995 196 V HN 0.865 nan 8.190 nan 0.000 0.424 197 N N 3.884 122.581 118.700 -0.004 0.000 2.518 197 N HA 0.970 5.709 4.740 -0.002 0.000 0.284 197 N C -0.185 175.331 175.510 0.011 0.000 1.230 197 N CA 0.158 53.210 53.050 0.004 0.000 0.941 197 N CB 2.082 40.583 38.487 0.024 0.000 1.219 197 N HN 1.137 nan 8.380 nan 0.000 0.560 198 A N -1.882 120.951 122.820 0.022 0.000 2.593 198 A HA 0.837 5.156 4.320 -0.002 0.000 0.304 198 A C 0.309 177.935 177.584 0.070 0.000 1.233 198 A CA 0.163 52.228 52.037 0.047 0.000 0.661 198 A CB 0.884 19.886 19.000 0.004 0.000 1.338 198 A HN 0.760 nan 8.150 nan 0.000 0.495 199 G N -1.726 107.135 108.800 0.101 0.000 3.382 199 G HA2 0.001 3.961 3.960 -0.002 0.000 0.214 199 G HA3 0.001 3.961 3.960 -0.002 0.000 0.214 199 G C 0.125 175.090 174.900 0.108 0.000 1.025 199 G CA 0.325 45.472 45.100 0.077 0.000 0.869 199 G HN 1.364 nan 8.290 nan 0.000 0.458 200 H N 0.955 120.081 119.070 0.093 0.000 3.107 200 H HA 0.400 4.957 4.556 0.002 0.000 0.301 200 H C 1.589 176.981 175.328 0.107 0.000 0.981 200 H CA 1.816 57.914 56.048 0.084 0.000 1.443 200 H CB 0.365 30.188 29.762 0.103 0.000 1.479 200 H HN 1.290 nan 8.280 nan 0.000 0.564 201 G N 4.045 112.811 108.800 -0.055 0.000 2.179 201 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.260 201 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.260 201 G C 0.185 175.072 174.900 -0.021 0.000 0.977 201 G CA 0.238 45.360 45.100 0.037 0.000 0.641 201 G HN 0.621 nan 8.290 nan 0.000 0.533 202 L N 1.295 122.509 121.223 -0.015 0.000 2.380 202 L HA 0.634 4.973 4.340 -0.002 0.000 0.273 202 L C 1.001 177.822 176.870 -0.081 0.000 1.138 202 L CA -0.348 54.444 54.840 -0.080 0.000 0.832 202 L CB 0.610 42.660 42.059 -0.014 0.000 1.124 202 L HN 0.605 nan 8.230 nan 0.000 0.454 203 H N -0.023 119.025 119.070 -0.037 0.000 3.199 203 H HA 0.284 4.837 4.556 -0.004 0.000 0.292 203 H C -0.303 174.938 175.328 -0.145 0.000 1.600 203 H CA -0.920 55.075 56.048 -0.089 0.000 1.235 203 H CB 0.224 30.016 29.762 0.050 0.000 1.839 203 H HN 0.303 nan 8.280 nan 0.000 0.623 204 Y N -0.545 119.865 120.300 0.184 0.000 2.546 204 Y HA 0.055 4.601 4.550 -0.006 0.000 0.287 204 Y C 1.842 177.778 175.900 0.061 0.000 1.158 204 Y CA 1.329 59.438 58.100 0.016 0.000 1.307 204 Y CB 0.300 38.644 38.460 -0.194 0.000 1.036 204 Y HN 0.836 nan 8.280 nan 0.000 0.532 205 T N -4.241 110.504 114.554 0.317 0.000 3.003 205 T HA 0.057 4.406 4.350 -0.002 0.000 0.261 205 T C 0.997 175.825 174.700 0.213 0.000 1.003 205 T CA 0.354 62.578 62.100 0.207 0.000 0.917 205 T CB -0.243 68.690 68.868 0.110 0.000 1.084 205 T HN 0.289 nan 8.240 nan 0.000 0.522 206 N N 0.529 119.359 118.700 0.217 0.000 2.184 206 N HA 0.169 4.908 4.740 -0.002 0.000 0.206 206 N C 1.299 176.904 175.510 0.159 0.000 1.151 206 N CA -0.058 53.042 53.050 0.084 0.000 0.878 206 N CB 0.065 38.431 38.487 -0.202 0.000 1.014 206 N HN 0.220 nan 8.380 nan 0.000 0.512 207 V N 0.449 120.411 119.914 0.079 0.000 2.719 207 V HA -0.104 4.015 4.120 -0.002 0.000 0.252 207 V C 1.786 177.902 176.094 0.038 0.000 1.065 207 V CA 1.653 63.978 62.300 0.043 0.000 1.086 207 V CB -0.269 31.528 31.823 -0.042 0.000 0.700 207 V HN 0.114 nan 8.190 nan 0.000 0.467 208 Q N 0.944 120.767 119.800 0.039 0.000 2.030 208 Q HA -0.142 4.197 4.340 -0.002 0.000 0.204 208 Q C 2.363 178.371 176.000 0.013 0.000 0.986 208 Q CA 2.435 58.248 55.803 0.017 0.000 0.843 208 Q CB -0.851 27.897 28.738 0.017 0.000 0.904 208 Q HN 0.692 nan 8.270 nan 0.000 0.420 209 A N 0.282 123.111 122.820 0.015 0.000 1.978 209 A HA -0.173 4.146 4.320 -0.002 0.000 0.220 209 A C 1.881 179.539 177.584 0.123 0.000 1.170 209 A CA 1.310 53.325 52.037 -0.036 0.000 0.636 209 A CB -0.506 18.355 19.000 -0.231 0.000 0.810 209 A HN 0.302 nan 8.150 nan 0.000 0.448 210 I N -0.677 119.942 120.570 0.082 0.000 2.480 210 I HA -0.080 4.089 4.170 -0.002 0.000 0.251 210 I C 2.804 178.923 176.117 0.004 0.000 1.124 210 I CA 1.252 62.572 61.300 0.033 0.000 1.444 210 I CB -1.543 36.420 38.000 -0.062 0.000 1.098 210 I HN 0.334 nan 8.210 nan 0.000 0.428 211 A N 0.859 123.677 122.820 -0.004 0.000 2.014 211 A HA 0.044 4.363 4.320 -0.002 0.000 0.218 211 A C 2.413 179.977 177.584 -0.033 0.000 1.163 211 A CA 1.346 53.368 52.037 -0.026 0.000 0.652 211 A CB -0.506 18.475 19.000 -0.031 0.000 0.808 211 A HN 0.367 nan 8.150 nan 0.000 0.449 212 A N -0.522 122.289 122.820 -0.013 0.000 2.172 212 A HA 0.247 4.566 4.320 -0.002 0.000 0.216 212 A C 0.928 178.502 177.584 -0.017 0.000 1.154 212 A CA 0.135 52.157 52.037 -0.024 0.000 0.701 212 A CB -0.461 18.534 19.000 -0.009 0.000 0.789 212 A HN 0.434 nan 8.150 nan 0.000 0.465 213 L N 0.645 121.866 121.223 -0.002 0.000 2.369 213 L HA 0.135 4.475 4.340 -0.002 0.000 0.279 213 L C -1.452 175.381 176.870 -0.063 0.000 1.108 213 L CA -1.511 53.309 54.840 -0.033 0.000 0.852 213 L CB 0.904 42.920 42.059 -0.070 0.000 1.169 213 L HN 0.121 nan 8.230 nan 0.000 0.452 214 P HA -0.093 nan 4.420 nan 0.000 0.220 214 P C 1.395 178.651 177.300 -0.073 0.000 1.148 214 P CA 0.750 63.800 63.100 -0.082 0.000 0.803 214 P CB 0.270 31.918 31.700 -0.087 0.000 0.782 215 G N -0.619 108.137 108.800 -0.073 0.000 2.572 215 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.216 215 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.216 215 G C 0.635 175.497 174.900 -0.063 0.000 1.133 215 G CA -0.105 44.954 45.100 -0.068 0.000 0.791 215 G HN 0.246 nan 8.290 nan 0.000 0.538 216 I N 1.260 121.790 120.570 -0.066 0.000 2.471 216 I HA 0.240 4.409 4.170 -0.002 0.000 0.286 216 I C 1.553 177.643 176.117 -0.045 0.000 1.079 216 I CA -0.438 60.828 61.300 -0.056 0.000 1.398 216 I CB 1.775 39.739 38.000 -0.060 0.000 1.403 216 I HN 0.102 nan 8.210 nan 0.000 0.530 217 A N 5.565 128.364 122.820 -0.035 0.000 1.862 217 A HA 0.056 4.375 4.320 -0.002 0.000 0.211 217 A C 0.803 178.371 177.584 -0.026 0.000 1.220 217 A CA 0.722 52.742 52.037 -0.028 0.000 0.616 217 A CB 0.062 19.050 19.000 -0.019 0.000 0.878 217 A HN 0.754 nan 8.150 nan 0.000 0.453 218 E N -0.562 119.625 120.200 -0.021 0.000 2.292 218 E HA 0.561 4.910 4.350 -0.002 0.000 0.272 218 E C -1.747 174.843 176.600 -0.016 0.000 0.881 218 E CA -0.590 55.799 56.400 -0.019 0.000 0.754 218 E CB 1.326 31.019 29.700 -0.012 0.000 1.201 218 E HN 0.287 nan 8.360 nan 0.000 0.425 219 L N 3.928 125.137 121.223 -0.022 0.000 2.264 219 L HA 0.419 4.758 4.340 -0.002 0.000 0.289 219 L C -0.321 176.537 176.870 -0.019 0.000 1.044 219 L CA -0.882 53.947 54.840 -0.019 0.000 0.807 219 L CB 1.078 43.117 42.059 -0.033 0.000 1.192 219 L HN 0.451 nan 8.230 nan 0.000 0.425 220 N N 5.592 124.290 118.700 -0.003 0.000 2.500 220 N HA 0.475 5.214 4.740 -0.002 0.000 0.236 220 N C -0.730 174.769 175.510 -0.019 0.000 1.022 220 N CA -0.072 52.973 53.050 -0.008 0.000 0.935 220 N CB 1.562 40.051 38.487 0.003 0.000 1.147 220 N HN 0.452 nan 8.380 nan 0.000 0.512 221 I N 0.364 120.912 120.570 -0.037 0.000 2.433 221 I HA 0.416 4.586 4.170 -0.002 0.000 0.292 221 I C 1.136 177.229 176.117 -0.040 0.000 1.001 221 I CA -0.577 60.691 61.300 -0.054 0.000 1.119 221 I CB 2.204 40.150 38.000 -0.090 0.000 1.289 221 I HN 0.445 nan 8.210 nan 0.000 0.438 222 G N 2.662 111.434 108.800 -0.047 0.000 2.446 222 G HA2 -0.029 3.930 3.960 -0.002 0.000 0.200 222 G HA3 -0.029 3.930 3.960 -0.002 0.000 0.200 222 G C 1.282 176.162 174.900 -0.035 0.000 1.707 222 G CA 0.194 45.275 45.100 -0.030 0.000 0.697 222 G HN 0.679 nan 8.290 nan 0.000 0.675 223 H N 1.207 120.142 119.070 -0.225 0.000 2.319 223 H HA -0.127 4.411 4.556 -0.030 0.000 0.297 223 H C 2.666 177.995 175.328 0.001 0.000 1.097 223 H CA 1.954 57.863 56.048 -0.232 0.000 1.285 223 H CB -0.101 29.478 29.762 -0.305 0.000 1.368 223 H HN 0.277 nan 8.280 nan 0.000 0.495 224 A N 0.961 123.808 122.820 0.045 0.000 1.933 224 A HA -0.099 4.221 4.320 -0.002 0.000 0.218 224 A C 2.746 180.452 177.584 0.203 0.000 1.175 224 A CA 1.279 53.394 52.037 0.130 0.000 0.628 224 A CB -0.679 18.423 19.000 0.170 0.000 0.814 224 A HN 0.453 nan 8.150 nan 0.000 0.444 225 I N -0.419 120.228 120.570 0.129 0.000 2.179 225 I HA -0.212 3.957 4.170 -0.002 0.000 0.242 225 I C 2.318 178.577 176.117 0.236 0.000 1.088 225 I CA 1.183 62.587 61.300 0.172 0.000 1.357 225 I CB -0.261 37.711 38.000 -0.047 0.000 1.051 225 I HN 0.163 nan 8.210 nan 0.000 0.409 226 V N 0.990 121.046 119.914 0.236 0.000 2.343 226 V HA -0.274 3.845 4.120 -0.002 0.000 0.247 226 V C 2.700 178.870 176.094 0.126 0.000 1.051 226 V CA 1.895 64.367 62.300 0.287 0.000 1.036 226 V CB -1.106 30.814 31.823 0.161 0.000 0.654 226 V HN 0.487 nan 8.190 nan 0.000 0.451 227 A N -0.522 122.280 122.820 -0.030 0.000 1.902 227 A HA -0.295 4.024 4.320 -0.002 0.000 0.217 227 A C 2.156 179.881 177.584 0.235 0.000 1.181 227 A CA 2.321 54.374 52.037 0.027 0.000 0.623 227 A CB -0.775 18.180 19.000 -0.075 0.000 0.818 227 A HN 0.685 nan 8.150 nan 0.000 0.443 228 H N -0.161 118.982 119.070 0.120 0.000 2.395 228 H HA 0.183 4.736 4.556 -0.005 0.000 0.299 228 H C 2.206 177.605 175.328 0.119 0.000 1.070 228 H CA 1.323 57.407 56.048 0.061 0.000 1.356 228 H CB -0.355 29.325 29.762 -0.136 0.000 1.401 228 H HN 0.372 nan 8.280 nan 0.000 0.524 229 A N 0.574 123.485 122.820 0.152 0.000 1.908 229 A HA -0.174 4.145 4.320 -0.002 0.000 0.218 229 A C 2.701 180.327 177.584 0.070 0.000 1.181 229 A CA 2.392 54.512 52.037 0.138 0.000 0.627 229 A CB -1.341 17.906 19.000 0.412 0.000 0.818 229 A HN 0.466 nan 8.150 nan 0.000 0.445 230 V N -3.596 116.347 119.914 0.047 0.000 2.380 230 V HA -0.263 3.856 4.120 -0.002 0.000 0.251 230 V C 2.174 178.108 176.094 -0.268 0.000 1.063 230 V CA 2.362 64.581 62.300 -0.135 0.000 1.055 230 V CB -1.176 30.501 31.823 -0.242 0.000 0.657 230 V HN 0.399 nan 8.190 nan 0.000 0.455 231 F N -0.625 119.291 119.950 -0.056 0.000 2.387 231 F HA 0.286 4.813 4.527 -0.000 0.000 0.294 231 F C 2.227 177.952 175.800 -0.125 0.000 1.093 231 F CA 1.274 59.226 58.000 -0.080 0.000 1.420 231 F CB 0.178 39.132 39.000 -0.077 0.000 1.086 231 F HN 0.010 nan 8.300 nan 0.000 0.531 232 V N -1.278 118.613 119.914 -0.038 0.000 3.612 232 V HA 0.474 4.593 4.120 -0.002 0.000 0.268 232 V C 0.489 176.529 176.094 -0.089 0.000 1.365 232 V CA 0.684 62.892 62.300 -0.154 0.000 1.044 232 V CB 0.253 31.764 31.823 -0.519 0.000 0.820 232 V HN 0.382 nan 8.190 nan 0.000 0.444 233 G N -1.303 107.481 108.800 -0.027 0.000 2.785 233 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.686 233 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.686 233 G C 0.000 174.969 174.900 0.115 0.000 1.155 233 G CA 0.054 45.185 45.100 0.052 0.000 0.760 233 G HN 0.248 nan 8.290 nan 0.000 0.624 234 W N 1.549 122.837 121.300 -0.020 0.000 2.354 234 W HA -0.124 4.537 4.660 0.002 0.000 0.315 234 W C 1.890 178.422 176.519 0.022 0.000 1.206 234 W CA 2.349 59.698 57.345 0.007 0.000 1.290 234 W CB -0.116 29.349 29.460 0.009 0.000 1.152 234 W HN 0.865 nan 8.180 nan 0.000 0.489 235 D N 0.268 120.725 120.400 0.095 0.000 2.133 235 D HA -0.257 4.382 4.640 -0.002 0.000 0.195 235 D C 1.763 178.020 176.300 -0.071 0.000 0.997 235 D CA 1.996 55.985 54.000 -0.019 0.000 0.840 235 D CB -0.355 40.477 40.800 0.053 0.000 0.947 235 D HN 0.006 nan 8.370 nan 0.000 0.452 236 N N -0.129 118.548 118.700 -0.038 0.000 2.216 236 N HA -0.059 4.680 4.740 -0.002 0.000 0.183 236 N C 1.716 177.213 175.510 -0.022 0.000 1.017 236 N CA 1.062 54.093 53.050 -0.032 0.000 0.861 236 N CB -0.355 38.109 38.487 -0.039 0.000 0.986 236 N HN 0.264 nan 8.380 nan 0.000 0.428 237 A N 1.050 123.839 122.820 -0.053 0.000 1.898 237 A HA -0.048 4.271 4.320 -0.002 0.000 0.216 237 A C 2.526 180.137 177.584 0.045 0.000 1.181 237 A CA 1.126 53.213 52.037 0.084 0.000 0.620 237 A CB -0.674 18.357 19.000 0.052 0.000 0.819 237 A HN 0.080 nan 8.150 nan 0.000 0.442 238 V N -0.009 119.766 119.914 -0.232 0.000 2.270 238 V HA -0.234 3.885 4.120 -0.002 0.000 0.245 238 V C 2.638 178.671 176.094 -0.103 0.000 1.043 238 V CA 2.205 64.346 62.300 -0.265 0.000 1.014 238 V CB -0.806 30.747 31.823 -0.450 0.000 0.645 238 V HN 0.651 nan 8.190 nan 0.000 0.447 239 R N -0.061 120.396 120.500 -0.073 0.000 2.091 239 R HA -0.252 4.087 4.340 -0.002 0.000 0.238 239 R C 2.395 178.708 176.300 0.022 0.000 1.136 239 R CA 2.259 58.345 56.100 -0.023 0.000 0.959 239 R CB -0.266 30.026 30.300 -0.013 0.000 0.856 239 R HN 0.697 nan 8.270 nan 0.000 0.437 240 E N -0.056 120.188 120.200 0.074 0.000 2.047 240 E HA -0.245 4.104 4.350 -0.002 0.000 0.191 240 E C 1.947 178.644 176.600 0.162 0.000 0.987 240 E CA 1.450 57.934 56.400 0.141 0.000 0.799 240 E CB -0.088 29.738 29.700 0.209 0.000 0.752 240 E HN 0.217 nan 8.360 nan 0.000 0.449 241 M N 1.249 120.949 119.600 0.167 0.000 2.117 241 M HA -0.144 4.335 4.480 -0.002 0.000 0.262 241 M C 2.006 178.276 176.300 -0.051 0.000 1.065 241 M CA 1.768 57.045 55.300 -0.039 0.000 1.114 241 M CB -0.168 32.296 32.600 -0.227 0.000 1.361 241 M HN -0.092 nan 8.290 nan 0.000 0.408 242 K N 0.197 120.576 120.400 -0.034 0.000 2.057 242 K HA 0.009 4.328 4.320 -0.002 0.000 0.207 242 K C 1.817 178.411 176.600 -0.011 0.000 1.049 242 K CA 1.886 58.154 56.287 -0.033 0.000 0.931 242 K CB -0.725 31.755 32.500 -0.033 0.000 0.714 242 K HN 0.389 nan 8.250 nan 0.000 0.440 243 A N 0.626 123.452 122.820 0.011 0.000 1.902 243 A HA -0.079 4.240 4.320 -0.002 0.000 0.217 243 A C 2.240 179.839 177.584 0.025 0.000 1.181 243 A CA 1.659 53.710 52.037 0.023 0.000 0.623 243 A CB -0.641 18.381 19.000 0.036 0.000 0.818 243 A HN 0.364 nan 8.150 nan 0.000 0.443 244 I N -0.967 119.620 120.570 0.028 0.000 2.252 244 I HA -0.299 3.870 4.170 -0.002 0.000 0.245 244 I C 2.730 178.847 176.117 -0.000 0.000 1.102 244 I CA 1.530 62.845 61.300 0.026 0.000 1.385 244 I CB -0.317 37.705 38.000 0.038 0.000 1.064 244 I HN 0.341 nan 8.210 nan 0.000 0.414 245 M N -0.188 119.400 119.600 -0.021 0.000 2.086 245 M HA -0.200 4.279 4.480 -0.002 0.000 0.261 245 M C 2.391 178.672 176.300 -0.031 0.000 1.067 245 M CA 1.654 56.935 55.300 -0.033 0.000 1.116 245 M CB -0.392 32.180 32.600 -0.046 0.000 1.348 245 M HN 0.061 nan 8.290 nan 0.000 0.407 246 V N 0.212 120.113 119.914 -0.022 0.000 2.407 246 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 246 V C 2.544 178.625 176.094 -0.021 0.000 1.055 246 V CA 1.979 64.266 62.300 -0.021 0.000 1.049 246 V CB -1.114 30.707 31.823 -0.003 0.000 0.662 246 V HN 0.532 nan 8.190 nan 0.000 0.455 247 A N -0.208 122.613 122.820 0.002 0.000 1.898 247 A HA -0.030 4.289 4.320 -0.002 0.000 0.216 247 A C 2.425 179.996 177.584 -0.022 0.000 1.181 247 A CA 1.835 53.885 52.037 0.020 0.000 0.620 247 A CB -0.719 18.311 19.000 0.050 0.000 0.819 247 A HN 0.540 nan 8.150 nan 0.000 0.442 248 A N 0.058 122.862 122.820 -0.026 0.000 1.877 248 A HA -0.156 4.163 4.320 -0.002 0.000 0.216 248 A C 2.185 179.716 177.584 -0.088 0.000 1.186 248 A CA 2.231 54.242 52.037 -0.042 0.000 0.620 248 A CB -0.499 18.485 19.000 -0.026 0.000 0.822 248 A HN 0.464 nan 8.150 nan 0.000 0.443 249 R N 0.094 120.538 120.500 -0.093 0.000 2.097 249 R HA -0.119 4.220 4.340 -0.002 0.000 0.236 249 R C 1.847 178.014 176.300 -0.222 0.000 1.135 249 R CA 2.479 58.501 56.100 -0.129 0.000 0.934 249 R CB -1.328 28.910 30.300 -0.103 0.000 0.846 249 R HN 0.258 nan 8.270 nan 0.000 0.431 250 V N 0.877 120.639 119.914 -0.252 0.000 2.307 250 V HA -0.137 3.982 4.120 -0.002 0.000 0.245 250 V C 2.421 178.092 176.094 -0.705 0.000 1.045 250 V CA 1.918 63.955 62.300 -0.438 0.000 1.024 250 V CB -1.055 30.552 31.823 -0.360 0.000 0.651 250 V HN 0.561 nan 8.190 nan 0.000 0.449 251 A N -0.014 122.483 122.820 -0.539 0.000 1.972 251 A HA -0.082 4.237 4.320 -0.002 0.000 0.219 251 A C 2.373 179.820 177.584 -0.228 0.000 1.169 251 A CA 1.962 53.772 52.037 -0.379 0.000 0.635 251 A CB -0.645 18.322 19.000 -0.056 0.000 0.810 251 A HN 0.567 nan 8.150 nan 0.000 0.446 252 A N -0.496 122.198 122.820 -0.210 0.000 1.968 252 A HA 0.076 4.395 4.320 -0.002 0.000 0.217 252 A C 2.121 179.578 177.584 -0.211 0.000 1.169 252 A CA 1.246 53.191 52.037 -0.154 0.000 0.638 252 A CB -0.439 18.492 19.000 -0.114 0.000 0.812 252 A HN 0.463 nan 8.150 nan 0.000 0.446 253 L N -0.771 120.226 121.223 -0.375 0.000 2.072 253 L HA 0.027 4.366 4.340 -0.002 0.000 0.205 253 L C 1.250 177.834 176.870 -0.477 0.000 1.079 253 L CA 1.029 55.560 54.840 -0.516 0.000 0.752 253 L CB -0.350 41.210 42.059 -0.832 0.000 0.906 253 L HN 0.728 nan 8.230 nan 0.000 0.436 254 H N 0.000 118.947 119.070 -0.205 0.000 2.539 254 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 254 H CA 0.000 56.008 56.048 -0.067 0.000 1.023 254 H CB 0.000 29.762 29.762 0.000 0.000 1.292 254 H HN 0.000 nan 8.280 nan 0.000 0.496