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 3enn_1_D DATA FIRST_RESID 1 DATA SEQUENCE MFDLTGRKAL VTGATGGLGE AIARALHAQG AIVGLHGTRE EKLKELAAEL DATA SEQUENCE GERIFVFPAN LSDREAVKAL GQKAEEEMGG VDILVNNAGI TRDGLFVRMS DATA SEQUENCE DEDWDAVLTV NLTSVFNLTR ELTHPMMRRR NGRIINITSI VGVTGNPGQA DATA SEQUENCE NYCASKAGLI GFSKSLAQEI ASRNVTVNCI APGFIEXXXX XXXXXXXKDA DATA SEQUENCE IMGNIPMKRM GVGADIAAAV VYLASDEAAY VTGQTLHVNG GMAMI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.216 176.300 -0.140 0.000 1.140 1 M CA 0.000 55.144 55.300 -0.260 0.000 0.988 1 M CB 0.000 32.403 32.600 -0.328 0.000 1.302 2 F N 0.284 120.257 119.950 0.039 0.000 3.074 2 F HA -0.212 4.315 4.527 0.000 0.000 0.289 2 F C 0.109 175.923 175.800 0.024 0.000 0.863 2 F CA 1.024 59.049 58.000 0.042 0.000 1.121 2 F CB -2.280 36.764 39.000 0.074 0.000 1.169 2 F HN 0.694 nan 8.300 nan 0.000 0.570 3 D N 1.154 121.609 120.400 0.090 0.000 2.351 3 D HA 0.463 5.103 4.640 0.001 0.000 0.251 3 D C 0.574 176.903 176.300 0.049 0.000 1.137 3 D CA 0.002 54.038 54.000 0.060 0.000 0.879 3 D CB 0.674 41.485 40.800 0.018 0.000 1.181 3 D HN 0.318 nan 8.370 nan 0.000 0.448 4 L N 2.916 124.166 121.223 0.044 0.000 3.168 4 L HA 0.194 4.534 4.340 0.001 0.000 0.277 4 L C 0.381 177.260 176.870 0.014 0.000 1.245 4 L CA -0.342 54.517 54.840 0.032 0.000 1.035 4 L CB 0.379 42.463 42.059 0.042 0.000 1.399 4 L HN 0.304 nan 8.230 nan 0.000 0.580 5 T N 0.941 115.499 114.554 0.006 0.000 2.871 5 T HA 0.214 4.565 4.350 0.001 0.000 0.296 5 T C 1.332 176.033 174.700 0.001 0.000 0.998 5 T CA 1.216 63.313 62.100 -0.005 0.000 1.162 5 T CB 0.868 69.731 68.868 -0.007 0.000 0.947 5 T HN 0.662 nan 8.240 nan 0.000 0.536 6 G N 2.939 111.741 108.800 0.004 0.000 2.184 6 G HA2 -0.270 3.690 3.960 0.001 0.000 0.264 6 G HA3 -0.270 3.690 3.960 0.001 0.000 0.264 6 G C 0.317 175.228 174.900 0.019 0.000 0.975 6 G CA -0.203 44.907 45.100 0.015 0.000 0.642 6 G HN 0.640 nan 8.290 nan 0.000 0.536 7 R N 0.564 121.073 120.500 0.016 0.000 2.491 7 R HA 0.584 4.925 4.340 0.001 0.000 0.283 7 R C 0.169 176.485 176.300 0.026 0.000 1.072 7 R CA -0.182 55.927 56.100 0.015 0.000 1.048 7 R CB 0.479 30.787 30.300 0.013 0.000 0.983 7 R HN 0.174 nan 8.270 nan 0.000 0.450 8 K N 1.616 122.024 120.400 0.014 0.000 2.253 8 K HA 0.548 4.868 4.320 0.001 0.000 0.277 8 K C -0.793 175.813 176.600 0.011 0.000 1.053 8 K CA -0.143 56.153 56.287 0.013 0.000 0.892 8 K CB 1.790 34.273 32.500 -0.029 0.000 1.102 8 K HN 0.642 nan 8.250 nan 0.000 0.469 9 A N 3.222 126.069 122.820 0.045 0.000 2.331 9 A HA 0.646 4.967 4.320 0.001 0.000 0.320 9 A C -1.512 176.116 177.584 0.073 0.000 1.138 9 A CA -0.735 51.331 52.037 0.048 0.000 0.790 9 A CB 0.650 19.689 19.000 0.064 0.000 1.206 9 A HN 0.577 nan 8.150 nan 0.000 0.470 10 L N 3.570 124.820 121.223 0.044 0.000 2.305 10 L HA 0.676 5.017 4.340 0.001 0.000 0.284 10 L C -1.093 175.819 176.870 0.070 0.000 1.013 10 L CA -0.220 54.660 54.840 0.067 0.000 0.819 10 L CB 1.716 43.761 42.059 -0.023 0.000 1.227 10 L HN 0.384 nan 8.230 nan 0.000 0.417 11 V N 3.981 123.967 119.914 0.120 0.000 2.350 11 V HA 0.430 4.551 4.120 0.001 0.000 0.285 11 V C 0.376 176.562 176.094 0.153 0.000 1.014 11 V CA -0.435 61.929 62.300 0.107 0.000 0.831 11 V CB 1.388 33.272 31.823 0.101 0.000 1.000 11 V HN 0.879 nan 8.190 nan 0.000 0.433 12 T N 0.917 115.537 114.554 0.111 0.000 2.899 12 T HA 0.508 4.859 4.350 0.001 0.000 0.295 12 T C 1.127 175.966 174.700 0.233 0.000 1.033 12 T CA 0.384 62.591 62.100 0.179 0.000 1.084 12 T CB 1.330 70.160 68.868 -0.063 0.000 0.979 12 T HN 1.872 nan 8.240 nan 0.000 0.532 13 G N 0.929 109.968 108.800 0.398 0.000 2.273 13 G HA2 -0.083 3.878 3.960 0.001 0.000 0.280 13 G HA3 -0.083 3.878 3.960 0.001 0.000 0.280 13 G C 0.856 175.817 174.900 0.101 0.000 1.047 13 G CA 0.095 45.304 45.100 0.182 0.000 0.869 13 G HN 1.519 nan 8.290 nan 0.000 0.502 14 A N -0.646 122.233 122.820 0.098 0.000 2.168 14 A HA 0.273 4.593 4.320 0.001 0.000 0.215 14 A C 2.451 180.050 177.584 0.025 0.000 1.152 14 A CA 2.281 54.356 52.037 0.064 0.000 0.716 14 A CB -0.402 18.646 19.000 0.081 0.000 0.794 14 A HN 1.391 nan 8.150 nan 0.000 0.465 15 T N -2.850 111.706 114.554 0.003 0.000 3.054 15 T HA 0.293 4.643 4.350 0.001 0.000 0.259 15 T C 1.171 175.872 174.700 0.001 0.000 1.092 15 T CA 0.451 62.545 62.100 -0.010 0.000 1.121 15 T CB -0.323 68.526 68.868 -0.031 0.000 0.912 15 T HN 0.368 nan 8.240 nan 0.000 0.489 16 G N 0.240 109.048 108.800 0.012 0.000 2.651 16 G HA2 0.450 4.410 3.960 0.001 0.000 0.260 16 G HA3 0.450 4.410 3.960 0.001 0.000 0.260 16 G C 1.199 176.109 174.900 0.017 0.000 1.216 16 G CA -0.341 44.768 45.100 0.015 0.000 0.913 16 G HN 0.251 nan 8.290 nan 0.000 0.535 17 G N -0.532 108.278 108.800 0.016 0.000 2.553 17 G HA2 -0.255 3.705 3.960 0.001 0.000 0.218 17 G HA3 -0.255 3.705 3.960 0.001 0.000 0.218 17 G C 1.694 176.606 174.900 0.020 0.000 1.195 17 G CA 1.144 46.254 45.100 0.017 0.000 0.779 17 G HN 0.424 nan 8.290 nan 0.000 0.577 18 L N 0.596 121.833 121.223 0.022 0.000 2.005 18 L HA 0.025 4.366 4.340 0.001 0.000 0.207 18 L C 3.302 180.189 176.870 0.029 0.000 1.072 18 L CA 1.144 55.998 54.840 0.024 0.000 0.744 18 L CB -1.123 40.949 42.059 0.023 0.000 0.895 18 L HN 0.364 nan 8.230 nan 0.000 0.433 19 G N -0.188 108.633 108.800 0.035 0.000 2.513 19 G HA2 -0.356 3.604 3.960 0.001 0.000 0.219 19 G HA3 -0.356 3.604 3.960 0.001 0.000 0.219 19 G C 1.459 176.383 174.900 0.040 0.000 1.160 19 G CA 1.145 46.272 45.100 0.045 0.000 0.767 19 G HN 0.481 nan 8.290 nan 0.000 0.571 20 E N 0.496 120.713 120.200 0.028 0.000 2.051 20 E HA -0.053 4.297 4.350 0.001 0.000 0.192 20 E C 2.795 179.408 176.600 0.022 0.000 0.991 20 E CA 1.072 57.484 56.400 0.019 0.000 0.799 20 E CB -0.300 29.405 29.700 0.008 0.000 0.748 20 E HN 0.345 nan 8.360 nan 0.000 0.449 21 A N 0.898 123.731 122.820 0.023 0.000 1.933 21 A HA -0.158 4.162 4.320 0.001 0.000 0.218 21 A C 2.140 179.743 177.584 0.033 0.000 1.175 21 A CA 1.329 53.380 52.037 0.024 0.000 0.628 21 A CB -0.571 18.442 19.000 0.021 0.000 0.814 21 A HN 0.338 nan 8.150 nan 0.000 0.444 22 I N -0.317 120.274 120.570 0.036 0.000 2.113 22 I HA -0.269 3.901 4.170 0.001 0.000 0.238 22 I C 3.020 179.171 176.117 0.057 0.000 1.070 22 I CA 1.066 62.392 61.300 0.043 0.000 1.332 22 I CB -0.448 37.577 38.000 0.041 0.000 1.044 22 I HN 0.341 nan 8.210 nan 0.000 0.402 23 A N 0.882 123.738 122.820 0.060 0.000 1.903 23 A HA -0.286 4.035 4.320 0.001 0.000 0.219 23 A C 2.398 180.035 177.584 0.088 0.000 1.191 23 A CA 2.039 54.121 52.037 0.075 0.000 0.638 23 A CB -0.753 18.282 19.000 0.058 0.000 0.823 23 A HN 0.355 nan 8.150 nan 0.000 0.451 24 R N -0.918 119.618 120.500 0.060 0.000 2.073 24 R HA -0.057 4.283 4.340 0.001 0.000 0.234 24 R C 2.579 178.941 176.300 0.103 0.000 1.134 24 R CA 1.245 57.384 56.100 0.066 0.000 0.952 24 R CB -0.507 29.813 30.300 0.033 0.000 0.850 24 R HN 0.531 nan 8.270 nan 0.000 0.433 25 A N 1.292 124.158 122.820 0.076 0.000 1.902 25 A HA -0.131 4.189 4.320 0.001 0.000 0.217 25 A C 2.214 179.848 177.584 0.084 0.000 1.181 25 A CA 1.166 53.245 52.037 0.070 0.000 0.623 25 A CB -0.578 18.451 19.000 0.047 0.000 0.818 25 A HN 0.170 nan 8.150 nan 0.000 0.443 26 L N -1.672 119.606 121.223 0.091 0.000 2.046 26 L HA -0.232 4.109 4.340 0.001 0.000 0.208 26 L C 2.650 179.583 176.870 0.106 0.000 1.077 26 L CA 1.951 56.845 54.840 0.090 0.000 0.747 26 L CB -0.668 41.446 42.059 0.090 0.000 0.896 26 L HN 0.659 nan 8.230 nan 0.000 0.432 27 H N -0.176 118.922 119.070 0.047 0.000 2.353 27 H HA -0.135 4.421 4.556 0.000 0.000 0.300 27 H C 2.157 177.509 175.328 0.040 0.000 1.090 27 H CA 1.551 57.626 56.048 0.046 0.000 1.327 27 H CB 0.085 29.872 29.762 0.041 0.000 1.383 27 H HN 0.294 nan 8.280 nan 0.000 0.508 28 A N 0.132 123.041 122.820 0.148 0.000 2.024 28 A HA -0.162 4.159 4.320 0.001 0.000 0.220 28 A C 1.942 179.544 177.584 0.029 0.000 1.164 28 A CA 1.555 53.642 52.037 0.084 0.000 0.643 28 A CB -0.189 18.867 19.000 0.093 0.000 0.806 28 A HN 0.505 nan 8.150 nan 0.000 0.451 29 Q N -1.482 118.336 119.800 0.031 0.000 2.320 29 Q HA 0.217 4.558 4.340 0.001 0.000 0.201 29 Q C 1.069 177.069 176.000 0.000 0.000 0.910 29 Q CA 0.717 56.539 55.803 0.033 0.000 0.946 29 Q CB 0.248 29.025 28.738 0.064 0.000 1.062 29 Q HN 0.972 nan 8.270 nan 0.000 0.503 30 G N 0.147 108.911 108.800 -0.060 0.000 2.159 30 G HA2 -0.232 3.728 3.960 0.001 0.000 0.227 30 G HA3 -0.232 3.728 3.960 0.001 0.000 0.227 30 G C 0.305 175.160 174.900 -0.075 0.000 0.986 30 G CA 0.015 45.063 45.100 -0.087 0.000 0.651 30 G HN 0.546 nan 8.290 nan 0.000 0.523 31 A N -0.122 122.668 122.820 -0.049 0.000 2.371 31 A HA 0.739 5.059 4.320 0.001 0.000 0.257 31 A C 0.462 178.063 177.584 0.029 0.000 1.089 31 A CA -0.143 51.899 52.037 0.008 0.000 0.794 31 A CB 0.376 19.404 19.000 0.048 0.000 1.029 31 A HN 0.773 nan 8.150 nan 0.000 0.488 32 I N 1.962 122.581 120.570 0.082 0.000 2.352 32 I HA 0.271 4.442 4.170 0.001 0.000 0.290 32 I C -0.622 175.618 176.117 0.206 0.000 1.036 32 I CA -0.138 61.264 61.300 0.169 0.000 1.336 32 I CB 1.246 39.362 38.000 0.194 0.000 1.407 32 I HN 0.244 nan 8.210 nan 0.000 0.497 33 V N 5.698 125.775 119.914 0.272 0.000 2.409 33 V HA 0.507 4.627 4.120 0.001 0.000 0.291 33 V C 0.585 176.853 176.094 0.289 0.000 1.020 33 V CA -0.668 61.775 62.300 0.238 0.000 0.848 33 V CB 1.519 33.469 31.823 0.213 0.000 0.990 33 V HN 0.867 nan 8.190 nan 0.000 0.430 34 G N 5.030 114.011 108.800 0.302 0.000 2.320 34 G HA2 0.587 4.548 3.960 0.001 0.000 0.300 34 G HA3 0.587 4.548 3.960 0.001 0.000 0.300 34 G C -0.606 174.494 174.900 0.335 0.000 1.126 34 G CA -0.468 44.897 45.100 0.442 0.000 0.896 34 G HN 0.642 nan 8.290 nan 0.000 0.436 35 L N 3.041 124.404 121.223 0.233 0.000 2.259 35 L HA 0.293 4.633 4.340 0.001 0.000 0.288 35 L C 0.305 177.296 176.870 0.200 0.000 1.051 35 L CA -0.958 53.977 54.840 0.159 0.000 0.824 35 L CB 0.833 42.923 42.059 0.051 0.000 1.206 35 L HN 0.717 nan 8.230 nan 0.000 0.429 36 H N 2.761 121.926 119.070 0.158 0.000 2.481 36 H HA 0.803 5.359 4.556 0.001 0.000 0.339 36 H C -0.064 175.313 175.328 0.082 0.000 1.131 36 H CA 0.160 56.295 56.048 0.145 0.000 1.301 36 H CB 1.716 31.553 29.762 0.126 0.000 1.476 36 H HN 0.634 nan 8.280 nan 0.000 0.529 37 G N 0.953 109.138 108.800 -1.025 0.000 2.489 37 G HA2 0.241 4.202 3.960 0.001 0.000 0.305 37 G HA3 0.241 4.202 3.960 0.001 0.000 0.305 37 G C 0.055 174.636 174.900 -0.531 0.000 1.311 37 G CA -0.138 44.538 45.100 -0.706 0.000 0.813 37 G HN 0.759 nan 8.290 nan 0.000 0.480 38 T N -2.481 111.935 114.554 -0.229 0.000 3.018 38 T HA 0.236 4.587 4.350 0.001 0.000 0.246 38 T C 0.896 175.556 174.700 -0.068 0.000 1.026 38 T CA 0.019 62.057 62.100 -0.102 0.000 1.081 38 T CB 0.156 69.003 68.868 -0.034 0.000 0.970 38 T HN 0.359 nan 8.240 nan 0.000 0.475 39 R N 2.421 122.880 120.500 -0.068 0.000 2.351 39 R HA 0.254 4.594 4.340 0.001 0.000 0.321 39 R C 0.774 177.043 176.300 -0.052 0.000 1.182 39 R CA -0.105 55.967 56.100 -0.047 0.000 1.011 39 R CB 0.418 30.696 30.300 -0.038 0.000 1.048 39 R HN 0.519 nan 8.270 nan 0.000 0.490 40 E N 2.099 122.274 120.200 -0.042 0.000 2.153 40 E HA -0.256 4.094 4.350 0.001 0.000 0.194 40 E C 1.578 178.154 176.600 -0.040 0.000 0.988 40 E CA 1.781 58.157 56.400 -0.041 0.000 0.811 40 E CB 0.306 29.989 29.700 -0.029 0.000 0.746 40 E HN 0.591 nan 8.360 nan 0.000 0.466 41 E N 1.770 121.951 120.200 -0.033 0.000 2.072 41 E HA -0.197 4.153 4.350 0.001 0.000 0.191 41 E C 1.874 178.453 176.600 -0.034 0.000 0.985 41 E CA 1.468 57.849 56.400 -0.031 0.000 0.801 41 E CB -0.186 29.499 29.700 -0.024 0.000 0.750 41 E HN 0.021 nan 8.360 nan 0.000 0.452 42 K N -0.023 120.356 120.400 -0.035 0.000 2.103 42 K HA 0.046 4.366 4.320 0.001 0.000 0.204 42 K C 2.094 178.670 176.600 -0.041 0.000 1.052 42 K CA 0.999 57.265 56.287 -0.035 0.000 0.945 42 K CB -0.111 32.371 32.500 -0.032 0.000 0.722 42 K HN 0.176 nan 8.250 nan 0.000 0.443 43 L N 0.788 121.981 121.223 -0.050 0.000 1.989 43 L HA -0.247 4.094 4.340 0.001 0.000 0.211 43 L C 2.272 179.106 176.870 -0.059 0.000 1.071 43 L CA 1.628 56.435 54.840 -0.056 0.000 0.749 43 L CB -0.386 41.634 42.059 -0.066 0.000 0.890 43 L HN 0.120 nan 8.230 nan 0.000 0.431 44 K N -0.269 120.097 120.400 -0.058 0.000 2.063 44 K HA -0.258 4.062 4.320 0.001 0.000 0.208 44 K C 2.051 178.618 176.600 -0.056 0.000 1.048 44 K CA 1.672 57.923 56.287 -0.059 0.000 0.928 44 K CB -0.212 32.257 32.500 -0.051 0.000 0.713 44 K HN 0.300 nan 8.250 nan 0.000 0.442 45 E N 1.092 121.263 120.200 -0.047 0.000 2.033 45 E HA -0.224 4.126 4.350 0.001 0.000 0.199 45 E C 2.070 178.640 176.600 -0.050 0.000 1.011 45 E CA 1.147 57.521 56.400 -0.043 0.000 0.815 45 E CB -0.046 29.633 29.700 -0.035 0.000 0.755 45 E HN 0.244 nan 8.360 nan 0.000 0.451 46 L N 0.104 121.296 121.223 -0.052 0.000 2.046 46 L HA -0.182 4.158 4.340 0.001 0.000 0.208 46 L C 2.509 179.328 176.870 -0.085 0.000 1.077 46 L CA 1.221 56.024 54.840 -0.062 0.000 0.747 46 L CB -0.401 41.627 42.059 -0.050 0.000 0.896 46 L HN 0.228 nan 8.230 nan 0.000 0.432 47 A N -0.197 122.574 122.820 -0.082 0.000 1.858 47 A HA -0.223 4.097 4.320 0.001 0.000 0.216 47 A C 2.467 179.993 177.584 -0.096 0.000 1.190 47 A CA 1.808 53.787 52.037 -0.097 0.000 0.617 47 A CB -0.900 18.042 19.000 -0.097 0.000 0.827 47 A HN 0.501 nan 8.150 nan 0.000 0.443 48 A N -0.526 122.247 122.820 -0.078 0.000 1.917 48 A HA -0.254 4.067 4.320 0.001 0.000 0.219 48 A C 2.084 179.629 177.584 -0.065 0.000 1.182 48 A CA 2.043 54.040 52.037 -0.066 0.000 0.633 48 A CB -0.591 18.377 19.000 -0.053 0.000 0.819 48 A HN 0.703 nan 8.150 nan 0.000 0.448 49 E N -0.322 119.836 120.200 -0.070 0.000 2.028 49 E HA -0.132 4.219 4.350 0.001 0.000 0.191 49 E C 1.994 178.535 176.600 -0.098 0.000 0.988 49 E CA 1.082 57.440 56.400 -0.069 0.000 0.799 49 E CB -0.203 29.459 29.700 -0.063 0.000 0.755 49 E HN 0.617 nan 8.360 nan 0.000 0.447 50 L N -0.156 120.968 121.223 -0.164 0.000 2.191 50 L HA -0.071 4.269 4.340 0.001 0.000 0.212 50 L C 1.799 178.546 176.870 -0.205 0.000 1.103 50 L CA 0.844 55.493 54.840 -0.319 0.000 0.769 50 L CB -0.584 41.141 42.059 -0.557 0.000 0.908 50 L HN 0.524 nan 8.230 nan 0.000 0.438 51 G N 0.545 109.277 108.800 -0.113 0.000 2.652 51 G HA2 -0.341 3.620 3.960 0.001 0.000 0.278 51 G HA3 -0.341 3.620 3.960 0.001 0.000 0.278 51 G C 0.140 175.034 174.900 -0.010 0.000 1.263 51 G CA 0.250 45.325 45.100 -0.043 0.000 0.966 51 G HN 0.511 nan 8.290 nan 0.000 0.544 52 E N 1.639 121.875 120.200 0.060 0.000 2.410 52 E HA 0.536 4.887 4.350 0.001 0.000 0.255 52 E C 0.540 177.245 176.600 0.174 0.000 1.194 52 E CA 0.108 56.551 56.400 0.072 0.000 0.955 52 E CB 0.217 29.958 29.700 0.069 0.000 0.988 52 E HN 0.828 nan 8.360 nan 0.000 0.461 53 R N -0.978 119.580 120.500 0.096 0.000 3.641 53 R HA -0.192 4.148 4.340 0.001 0.000 0.286 53 R C -0.965 175.467 176.300 0.221 0.000 1.153 53 R CA 0.462 56.657 56.100 0.158 0.000 0.775 53 R CB -1.961 28.412 30.300 0.121 0.000 1.215 53 R HN 0.460 nan 8.270 nan 0.000 0.474 54 I N 0.107 120.716 120.570 0.065 0.000 2.509 54 I HA 0.472 4.642 4.170 0.001 0.000 0.293 54 I C -0.118 175.919 176.117 -0.133 0.000 1.020 54 I CA -0.427 60.903 61.300 0.050 0.000 1.088 54 I CB 1.447 39.429 38.000 -0.030 0.000 1.267 54 I HN -0.056 nan 8.210 nan 0.000 0.430 55 F N 4.641 124.531 119.950 -0.100 0.000 2.579 55 F HA 0.729 5.257 4.527 0.001 0.000 0.324 55 F C -0.344 175.150 175.800 -0.510 0.000 1.058 55 F CA -0.952 56.843 58.000 -0.341 0.000 0.944 55 F CB 1.980 40.768 39.000 -0.353 0.000 1.245 55 F HN -0.065 nan 8.300 nan 0.000 0.477 56 V N 2.563 122.140 119.914 -0.562 0.000 2.531 56 V HA 0.414 4.535 4.120 0.001 0.000 0.301 56 V C -1.272 174.467 176.094 -0.592 0.000 1.034 56 V CA -0.770 61.281 62.300 -0.415 0.000 0.865 56 V CB 1.664 33.362 31.823 -0.208 0.000 0.995 56 V HN 0.500 nan 8.190 nan 0.000 0.424 57 F N 6.395 126.404 119.950 0.099 0.000 2.691 57 F HA 0.428 4.956 4.527 0.001 0.000 0.371 57 F C -2.316 173.542 175.800 0.096 0.000 1.159 57 F CA -2.554 55.510 58.000 0.107 0.000 1.174 57 F CB 1.568 40.645 39.000 0.128 0.000 1.419 57 F HN 0.289 nan 8.300 nan 0.000 0.514 58 P HA 0.454 nan 4.420 nan 0.000 0.276 58 P C -0.789 176.611 177.300 0.167 0.000 1.230 58 P CA 0.050 63.193 63.100 0.072 0.000 0.776 58 P CB 1.852 33.566 31.700 0.024 0.000 0.888 59 A N 2.737 125.675 122.820 0.196 0.000 2.555 59 A HA 0.327 4.648 4.320 0.001 0.000 0.297 59 A C -0.784 176.958 177.584 0.264 0.000 1.060 59 A CA -0.803 51.385 52.037 0.252 0.000 0.710 59 A CB 0.790 19.956 19.000 0.277 0.000 1.282 59 A HN 0.625 nan 8.150 nan 0.000 0.399 60 N N 2.663 121.447 118.700 0.140 0.000 2.402 60 N HA 0.259 5.000 4.740 0.001 0.000 0.252 60 N C 0.460 176.022 175.510 0.087 0.000 1.118 60 N CA -0.509 52.604 53.050 0.106 0.000 0.945 60 N CB 0.321 38.844 38.487 0.061 0.000 1.147 60 N HN 0.640 nan 8.380 nan 0.000 0.495 61 L N 2.337 123.617 121.223 0.094 0.000 2.551 61 L HA -0.062 4.278 4.340 0.001 0.000 0.228 61 L C 1.816 178.691 176.870 0.008 0.000 1.153 61 L CA 0.426 55.279 54.840 0.021 0.000 0.851 61 L CB -0.114 41.939 42.059 -0.010 0.000 0.959 61 L HN 0.567 nan 8.230 nan 0.000 0.451 62 S N -1.371 114.342 115.700 0.023 0.000 2.461 62 S HA -0.072 4.399 4.470 0.001 0.000 0.228 62 S C 0.738 175.346 174.600 0.013 0.000 1.005 62 S CA 0.315 58.523 58.200 0.014 0.000 0.942 62 S CB -0.186 63.025 63.200 0.018 0.000 0.776 62 S HN 0.351 nan 8.310 nan 0.000 0.514 63 D N 1.372 121.782 120.400 0.018 0.000 2.380 63 D HA 0.185 4.826 4.640 0.001 0.000 0.230 63 D C 0.941 177.247 176.300 0.009 0.000 1.154 63 D CA -0.353 53.657 54.000 0.017 0.000 0.859 63 D CB 0.676 41.490 40.800 0.023 0.000 1.045 63 D HN 0.015 nan 8.370 nan 0.000 0.495 64 R N 3.010 123.515 120.500 0.009 0.000 2.081 64 R HA -0.133 4.207 4.340 0.001 0.000 0.235 64 R C 1.240 177.540 176.300 -0.001 0.000 1.131 64 R CA 1.196 57.300 56.100 0.006 0.000 0.960 64 R CB 0.243 30.554 30.300 0.018 0.000 0.856 64 R HN 0.407 nan 8.270 nan 0.000 0.436 65 E N 0.302 120.504 120.200 0.003 0.000 2.110 65 E HA -0.161 4.189 4.350 0.001 0.000 0.193 65 E C 1.842 178.440 176.600 -0.004 0.000 0.988 65 E CA 1.299 57.699 56.400 -0.000 0.000 0.804 65 E CB -0.274 29.429 29.700 0.005 0.000 0.745 65 E HN 0.480 nan 8.360 nan 0.000 0.458 66 A N 1.004 123.827 122.820 0.004 0.000 1.930 66 A HA -0.117 4.203 4.320 0.001 0.000 0.217 66 A C 2.619 180.198 177.584 -0.008 0.000 1.175 66 A CA 1.308 53.352 52.037 0.011 0.000 0.627 66 A CB -0.613 18.405 19.000 0.031 0.000 0.815 66 A HN 0.134 nan 8.150 nan 0.000 0.443 67 V N 0.388 120.286 119.914 -0.026 0.000 2.287 67 V HA -0.314 3.806 4.120 0.001 0.000 0.248 67 V C 2.445 178.491 176.094 -0.081 0.000 1.053 67 V CA 2.454 64.715 62.300 -0.065 0.000 1.027 67 V CB -0.755 31.026 31.823 -0.071 0.000 0.646 67 V HN 0.563 nan 8.190 nan 0.000 0.447 68 K N 0.400 120.761 120.400 -0.065 0.000 2.057 68 K HA -0.100 4.221 4.320 0.001 0.000 0.207 68 K C 2.344 178.902 176.600 -0.071 0.000 1.049 68 K CA 1.444 57.686 56.287 -0.075 0.000 0.931 68 K CB -0.471 31.994 32.500 -0.057 0.000 0.714 68 K HN 0.464 nan 8.250 nan 0.000 0.440 69 A N 2.005 124.797 122.820 -0.046 0.000 1.908 69 A HA -0.168 4.153 4.320 0.001 0.000 0.218 69 A C 2.109 179.658 177.584 -0.059 0.000 1.181 69 A CA 1.122 53.137 52.037 -0.036 0.000 0.627 69 A CB -0.673 18.324 19.000 -0.005 0.000 0.818 69 A HN 0.267 nan 8.150 nan 0.000 0.445 70 L N -0.562 120.622 121.223 -0.064 0.000 1.971 70 L HA -0.191 4.149 4.340 0.001 0.000 0.215 70 L C 2.637 179.375 176.870 -0.220 0.000 1.072 70 L CA 2.080 56.854 54.840 -0.111 0.000 0.758 70 L CB -1.065 40.939 42.059 -0.092 0.000 0.889 70 L HN 0.456 nan 8.230 nan 0.000 0.433 71 G N -1.119 107.571 108.800 -0.184 0.000 2.476 71 G HA2 -0.341 3.619 3.960 0.001 0.000 0.218 71 G HA3 -0.341 3.619 3.960 0.001 0.000 0.218 71 G C 1.362 176.143 174.900 -0.197 0.000 1.164 71 G CA 0.964 45.947 45.100 -0.196 0.000 0.768 71 G HN 0.517 nan 8.290 nan 0.000 0.560 72 Q N -0.177 119.533 119.800 -0.150 0.000 2.050 72 Q HA -0.030 4.310 4.340 0.001 0.000 0.202 72 Q C 2.514 178.426 176.000 -0.147 0.000 0.980 72 Q CA 1.538 57.268 55.803 -0.122 0.000 0.840 72 Q CB -0.174 28.517 28.738 -0.079 0.000 0.898 72 Q HN 0.524 nan 8.270 nan 0.000 0.424 73 K N 0.400 120.700 120.400 -0.166 0.000 2.009 73 K HA -0.191 4.130 4.320 0.001 0.000 0.210 73 K C 2.054 178.431 176.600 -0.373 0.000 1.049 73 K CA 1.350 57.538 56.287 -0.166 0.000 0.929 73 K CB -0.215 32.239 32.500 -0.077 0.000 0.714 73 K HN 0.200 nan 8.250 nan 0.000 0.440 74 A N 1.016 123.390 122.820 -0.744 0.000 1.902 74 A HA -0.215 4.105 4.320 0.001 0.000 0.217 74 A C 2.005 179.323 177.584 -0.444 0.000 1.181 74 A CA 1.994 53.450 52.037 -0.969 0.000 0.623 74 A CB -0.677 17.742 19.000 -0.969 0.000 0.818 74 A HN 0.548 nan 8.150 nan 0.000 0.443 75 E N 0.174 120.193 120.200 -0.300 0.000 2.038 75 E HA -0.222 4.128 4.350 0.001 0.000 0.195 75 E C 2.042 178.556 176.600 -0.143 0.000 1.000 75 E CA 1.777 58.065 56.400 -0.187 0.000 0.803 75 E CB -0.288 29.329 29.700 -0.138 0.000 0.750 75 E HN 0.516 nan 8.360 nan 0.000 0.448 76 E N 0.498 120.627 120.200 -0.118 0.000 2.023 76 E HA -0.220 4.130 4.350 0.001 0.000 0.196 76 E C 2.046 178.622 176.600 -0.040 0.000 1.003 76 E CA 1.716 58.080 56.400 -0.059 0.000 0.809 76 E CB -0.137 29.545 29.700 -0.031 0.000 0.755 76 E HN 0.474 nan 8.360 nan 0.000 0.449 77 E N -0.358 119.820 120.200 -0.036 0.000 2.107 77 E HA -0.066 4.284 4.350 0.001 0.000 0.191 77 E C 2.159 178.643 176.600 -0.193 0.000 0.982 77 E CA 0.798 57.228 56.400 0.050 0.000 0.809 77 E CB -0.086 29.792 29.700 0.297 0.000 0.756 77 E HN 0.296 nan 8.360 nan 0.000 0.459 78 M N -0.346 118.983 119.600 -0.451 0.000 2.562 78 M HA 0.076 4.556 4.480 0.001 0.000 0.257 78 M C 0.999 177.172 176.300 -0.213 0.000 1.099 78 M CA 0.804 55.736 55.300 -0.613 0.000 1.099 78 M CB 0.272 32.562 32.600 -0.518 0.000 1.427 78 M HN 0.232 nan 8.290 nan 0.000 0.489 79 G N 1.514 110.241 108.800 -0.123 0.000 2.225 79 G HA2 -0.035 3.925 3.960 0.001 0.000 0.264 79 G HA3 -0.035 3.925 3.960 0.001 0.000 0.264 79 G C 0.352 175.217 174.900 -0.058 0.000 1.060 79 G CA 0.104 45.173 45.100 -0.051 0.000 0.833 79 G HN 0.971 nan 8.290 nan 0.000 0.498 80 G N -2.317 106.431 108.800 -0.086 0.000 3.380 80 G HA2 0.266 4.227 3.960 0.001 0.000 0.685 80 G HA3 0.266 4.227 3.960 0.001 0.000 0.685 80 G C -0.251 174.599 174.900 -0.084 0.000 1.136 80 G CA -0.185 44.871 45.100 -0.073 0.000 1.011 80 G HN 1.522 nan 8.290 nan 0.000 0.471 81 V N 3.510 123.365 119.914 -0.099 0.000 2.470 81 V HA 0.244 4.364 4.120 0.001 0.000 0.276 81 V C 0.930 176.987 176.094 -0.062 0.000 1.040 81 V CA 0.323 62.569 62.300 -0.091 0.000 1.008 81 V CB 1.404 33.159 31.823 -0.114 0.000 0.990 81 V HN 0.759 nan 8.190 nan 0.000 0.477 82 D N 3.899 124.273 120.400 -0.043 0.000 2.301 82 D HA 0.197 4.837 4.640 0.001 0.000 0.206 82 D C 0.351 176.632 176.300 -0.032 0.000 0.979 82 D CA 1.005 54.984 54.000 -0.034 0.000 0.874 82 D CB 0.891 41.678 40.800 -0.022 0.000 0.968 82 D HN 0.438 nan 8.370 nan 0.000 0.510 83 I N 1.496 122.051 120.570 -0.025 0.000 2.468 83 I HA 0.180 4.350 4.170 0.001 0.000 0.285 83 I C -1.210 174.896 176.117 -0.018 0.000 1.039 83 I CA -0.901 60.389 61.300 -0.018 0.000 1.074 83 I CB 2.687 40.686 38.000 -0.002 0.000 1.228 83 I HN -0.231 nan 8.210 nan 0.000 0.436 84 L N 8.621 129.830 121.223 -0.024 0.000 2.280 84 L HA 0.584 4.925 4.340 0.001 0.000 0.287 84 L C -0.822 176.043 176.870 -0.009 0.000 1.023 84 L CA -0.341 54.485 54.840 -0.023 0.000 0.819 84 L CB 1.511 43.548 42.059 -0.036 0.000 1.212 84 L HN 0.332 nan 8.230 nan 0.000 0.420 85 V N 5.331 125.247 119.914 0.003 0.000 2.311 85 V HA 0.402 4.522 4.120 0.001 0.000 0.275 85 V C -0.051 176.047 176.094 0.007 0.000 1.022 85 V CA -0.704 61.602 62.300 0.010 0.000 0.830 85 V CB 0.738 32.576 31.823 0.024 0.000 1.012 85 V HN 0.698 nan 8.190 nan 0.000 0.452 86 N N 4.146 122.846 118.700 -0.000 0.000 2.482 86 N HA 0.115 4.856 4.740 0.001 0.000 0.242 86 N C 0.687 176.197 175.510 -0.000 0.000 1.100 86 N CA 0.127 53.170 53.050 -0.010 0.000 0.946 86 N CB 0.993 39.473 38.487 -0.011 0.000 1.227 86 N HN 0.766 nan 8.380 nan 0.000 0.508 87 N N 1.225 119.933 118.700 0.013 0.000 2.317 87 N HA 0.073 4.814 4.740 0.001 0.000 0.199 87 N C -0.111 175.423 175.510 0.040 0.000 1.145 87 N CA -0.224 52.842 53.050 0.028 0.000 0.882 87 N CB 0.425 38.937 38.487 0.041 0.000 1.113 87 N HN 0.389 nan 8.380 nan 0.000 0.486 88 A N 0.028 122.876 122.820 0.046 0.000 2.488 88 A HA 0.599 4.919 4.320 0.001 0.000 0.249 88 A C 0.457 178.067 177.584 0.044 0.000 1.083 88 A CA 0.473 52.549 52.037 0.066 0.000 0.768 88 A CB -0.278 18.776 19.000 0.090 0.000 1.017 88 A HN 0.374 nan 8.150 nan 0.000 0.496 89 G N 0.861 109.701 108.800 0.066 0.000 2.720 89 G HA2 0.602 4.563 3.960 0.001 0.000 0.295 89 G HA3 0.602 4.563 3.960 0.001 0.000 0.295 89 G C -0.865 174.095 174.900 0.100 0.000 1.437 89 G CA -0.207 44.945 45.100 0.086 0.000 0.886 89 G HN 1.442 nan 8.290 nan 0.000 0.509 90 I N -1.289 119.348 120.570 0.111 0.000 2.892 90 I HA 0.921 5.092 4.170 0.001 0.000 0.306 90 I C 0.007 176.181 176.117 0.094 0.000 1.078 90 I CA -1.011 60.332 61.300 0.072 0.000 1.032 90 I CB 2.655 40.680 38.000 0.041 0.000 1.229 90 I HN 0.599 nan 8.210 nan 0.000 0.435 91 T N 0.836 115.381 114.554 -0.015 0.000 2.918 91 T HA 0.626 4.976 4.350 0.001 0.000 0.286 91 T C -0.066 174.628 174.700 -0.011 0.000 1.026 91 T CA -0.923 61.139 62.100 -0.065 0.000 1.031 91 T CB 1.778 70.498 68.868 -0.247 0.000 1.046 91 T HN 0.681 nan 8.240 nan 0.000 0.479 92 R N 2.135 122.645 120.500 0.017 0.000 2.644 92 R HA 0.284 4.624 4.340 0.001 0.000 0.271 92 R C -1.266 175.062 176.300 0.046 0.000 1.687 92 R CA -0.591 55.528 56.100 0.031 0.000 1.655 92 R CB 0.373 30.703 30.300 0.049 0.000 1.285 92 R HN 0.704 nan 8.270 nan 0.000 0.643 93 D N 0.658 121.070 120.400 0.020 0.000 2.399 93 D HA 0.488 5.129 4.640 0.001 0.000 0.241 93 D C 0.823 177.154 176.300 0.053 0.000 1.133 93 D CA 1.036 55.056 54.000 0.034 0.000 0.890 93 D CB 1.256 42.058 40.800 0.003 0.000 1.201 93 D HN 0.578 nan 8.370 nan 0.000 0.432 94 G N 0.070 108.915 108.800 0.075 0.000 2.368 94 G HA2 0.196 4.156 3.960 0.001 0.000 0.303 94 G HA3 0.196 4.156 3.960 0.001 0.000 0.303 94 G C -1.141 173.822 174.900 0.105 0.000 1.590 94 G CA -1.035 44.109 45.100 0.073 0.000 0.938 94 G HN 0.377 nan 8.290 nan 0.000 0.675 95 L N 1.377 122.655 121.223 0.091 0.000 2.456 95 L HA 0.208 4.549 4.340 0.001 0.000 0.272 95 L C 1.872 178.832 176.870 0.151 0.000 1.189 95 L CA -0.451 54.464 54.840 0.124 0.000 0.846 95 L CB 0.500 42.614 42.059 0.091 0.000 1.111 95 L HN 0.689 nan 8.230 nan 0.000 0.475 96 F N 2.849 122.833 119.950 0.057 0.000 2.161 96 F HA -0.187 4.341 4.527 0.001 0.000 0.300 96 F C 1.888 177.705 175.800 0.028 0.000 1.089 96 F CA 1.539 59.572 58.000 0.055 0.000 1.282 96 F CB 0.062 39.093 39.000 0.050 0.000 1.010 96 F HN 0.231 nan 8.300 nan 0.000 0.485 97 V N 0.501 120.379 119.914 -0.061 0.000 2.626 97 V HA -0.214 3.906 4.120 0.001 0.000 0.252 97 V C 2.059 178.049 176.094 -0.174 0.000 1.067 97 V CA 1.976 64.177 62.300 -0.164 0.000 1.081 97 V CB -0.645 31.185 31.823 0.012 0.000 0.686 97 V HN 0.274 nan 8.190 nan 0.000 0.468 98 R N -0.887 119.553 120.500 -0.100 0.000 2.359 98 R HA 0.292 4.633 4.340 0.001 0.000 0.231 98 R C 0.777 177.030 176.300 -0.077 0.000 0.913 98 R CA -0.172 55.885 56.100 -0.073 0.000 1.075 98 R CB 0.153 30.440 30.300 -0.022 0.000 1.087 98 R HN 0.399 nan 8.270 nan 0.000 0.515 99 M N 2.357 121.877 119.600 -0.133 0.000 2.220 99 M HA 0.074 4.554 4.480 0.001 0.000 0.343 99 M C 0.062 176.322 176.300 -0.067 0.000 1.470 99 M CA -0.050 55.214 55.300 -0.061 0.000 1.161 99 M CB 0.692 33.289 32.600 -0.004 0.000 1.737 99 M HN 0.039 nan 8.290 nan 0.000 0.464 100 S N 2.926 118.624 115.700 -0.002 0.000 2.593 100 S HA 0.116 4.587 4.470 0.001 0.000 0.269 100 S C 0.589 175.220 174.600 0.052 0.000 1.334 100 S CA -0.617 57.585 58.200 0.003 0.000 1.015 100 S CB 0.818 64.028 63.200 0.017 0.000 0.912 100 S HN 0.750 nan 8.310 nan 0.000 0.541 101 D N 1.487 121.906 120.400 0.032 0.000 2.133 101 D HA -0.152 4.489 4.640 0.001 0.000 0.195 101 D C 2.103 178.490 176.300 0.146 0.000 0.997 101 D CA 1.836 55.883 54.000 0.078 0.000 0.840 101 D CB -0.218 40.604 40.800 0.036 0.000 0.947 101 D HN 0.835 nan 8.370 nan 0.000 0.452 102 E N 0.900 121.157 120.200 0.094 0.000 2.106 102 E HA -0.165 4.185 4.350 0.001 0.000 0.192 102 E C 1.451 178.111 176.600 0.099 0.000 0.984 102 E CA 0.883 57.334 56.400 0.085 0.000 0.806 102 E CB -0.510 29.221 29.700 0.051 0.000 0.750 102 E HN 0.264 nan 8.360 nan 0.000 0.458 103 D N 0.396 120.863 120.400 0.111 0.000 2.144 103 D HA -0.125 4.515 4.640 0.001 0.000 0.200 103 D C 1.514 177.912 176.300 0.163 0.000 0.978 103 D CA 0.753 54.822 54.000 0.115 0.000 0.833 103 D CB -0.437 40.428 40.800 0.108 0.000 0.961 103 D HN 0.332 nan 8.370 nan 0.000 0.470 104 W N 1.799 123.118 121.300 0.031 0.000 2.380 104 W HA -0.159 4.501 4.660 0.000 0.000 0.317 104 W C 1.206 177.745 176.519 0.033 0.000 1.196 104 W CA 1.134 58.505 57.345 0.044 0.000 1.307 104 W CB -0.228 29.257 29.460 0.043 0.000 1.157 104 W HN -0.112 nan 8.180 nan 0.000 0.483 105 D N 0.698 121.236 120.400 0.230 0.000 2.104 105 D HA -0.169 4.472 4.640 0.001 0.000 0.194 105 D C 2.360 178.642 176.300 -0.030 0.000 0.994 105 D CA 2.368 56.429 54.000 0.102 0.000 0.830 105 D CB -0.870 40.019 40.800 0.148 0.000 0.959 105 D HN 0.165 nan 8.370 nan 0.000 0.452 106 A N 0.332 123.150 122.820 -0.003 0.000 1.902 106 A HA -0.138 4.182 4.320 0.001 0.000 0.217 106 A C 2.521 180.070 177.584 -0.059 0.000 1.181 106 A CA 1.328 53.355 52.037 -0.016 0.000 0.623 106 A CB -0.760 18.246 19.000 0.011 0.000 0.818 106 A HN 0.156 nan 8.150 nan 0.000 0.443 107 V N 0.183 120.040 119.914 -0.094 0.000 2.307 107 V HA -0.193 3.927 4.120 0.001 0.000 0.245 107 V C 2.527 178.496 176.094 -0.209 0.000 1.045 107 V CA 1.541 63.772 62.300 -0.115 0.000 1.024 107 V CB -0.595 31.173 31.823 -0.093 0.000 0.651 107 V HN 0.491 nan 8.190 nan 0.000 0.449 108 L N -0.228 120.779 121.223 -0.360 0.000 2.093 108 L HA -0.135 4.205 4.340 0.001 0.000 0.208 108 L C 2.580 179.328 176.870 -0.203 0.000 1.085 108 L CA 2.230 56.851 54.840 -0.365 0.000 0.755 108 L CB -1.782 39.959 42.059 -0.530 0.000 0.904 108 L HN 0.404 nan 8.230 nan 0.000 0.435 109 T N -0.141 114.328 114.554 -0.142 0.000 2.652 109 T HA -0.148 4.202 4.350 0.001 0.000 0.267 109 T C 2.106 176.763 174.700 -0.072 0.000 1.039 109 T CA 1.470 63.522 62.100 -0.081 0.000 1.153 109 T CB -0.196 68.647 68.868 -0.042 0.000 0.863 109 T HN 0.078 nan 8.240 nan 0.000 0.428 110 V N 1.956 121.831 119.914 -0.064 0.000 2.346 110 V HA -0.084 4.036 4.120 0.001 0.000 0.244 110 V C 2.083 178.137 176.094 -0.065 0.000 1.037 110 V CA 1.498 63.770 62.300 -0.046 0.000 1.029 110 V CB -0.606 31.207 31.823 -0.017 0.000 0.663 110 V HN 0.531 nan 8.190 nan 0.000 0.454 111 N N -0.710 117.938 118.700 -0.087 0.000 2.409 111 N HA -0.032 4.709 4.740 0.001 0.000 0.179 111 N C 1.366 176.790 175.510 -0.145 0.000 1.032 111 N CA 0.691 53.677 53.050 -0.106 0.000 0.898 111 N CB 0.350 38.758 38.487 -0.133 0.000 0.971 111 N HN 0.282 nan 8.380 nan 0.000 0.441 112 L N -0.657 120.469 121.223 -0.161 0.000 2.666 112 L HA 0.194 4.534 4.340 0.001 0.000 0.184 112 L C 1.903 178.659 176.870 -0.190 0.000 1.092 112 L CA 1.174 55.896 54.840 -0.197 0.000 0.857 112 L CB -0.430 41.505 42.059 -0.206 0.000 1.281 112 L HN -0.175 nan 8.230 nan 0.000 0.489 113 T N -0.547 113.927 114.554 -0.134 0.000 2.821 113 T HA -0.129 4.221 4.350 0.001 0.000 0.267 113 T C 1.956 176.663 174.700 0.011 0.000 1.046 113 T CA 1.598 63.664 62.100 -0.057 0.000 1.139 113 T CB -0.289 68.547 68.868 -0.054 0.000 0.871 113 T HN 0.543 nan 8.240 nan 0.000 0.454 114 S N 1.240 116.913 115.700 -0.045 0.000 2.383 114 S HA -0.073 4.397 4.470 0.001 0.000 0.227 114 S C 2.167 176.712 174.600 -0.092 0.000 1.026 114 S CA 0.868 59.035 58.200 -0.055 0.000 0.981 114 S CB -0.808 62.354 63.200 -0.063 0.000 0.818 114 S HN 0.287 nan 8.310 nan 0.000 0.472 115 V N 1.568 121.412 119.914 -0.117 0.000 2.295 115 V HA -0.102 4.018 4.120 0.001 0.000 0.246 115 V C 2.163 178.139 176.094 -0.197 0.000 1.049 115 V CA 2.098 64.311 62.300 -0.145 0.000 1.024 115 V CB -1.247 30.481 31.823 -0.159 0.000 0.648 115 V HN 0.605 nan 8.190 nan 0.000 0.447 116 F N 1.926 121.612 119.950 -0.439 0.000 2.043 116 F HA -0.251 4.276 4.527 0.000 0.000 0.297 116 F C 2.379 178.085 175.800 -0.158 0.000 1.121 116 F CA 2.314 60.045 58.000 -0.448 0.000 1.199 116 F CB -0.624 38.131 39.000 -0.408 0.000 0.968 116 F HN 0.151 nan 8.300 nan 0.000 0.478 117 N N 0.906 119.406 118.700 -0.334 0.000 2.084 117 N HA -0.188 4.552 4.740 0.001 0.000 0.190 117 N C 2.245 177.583 175.510 -0.287 0.000 1.030 117 N CA 1.524 54.339 53.050 -0.393 0.000 0.849 117 N CB -0.673 37.737 38.487 -0.128 0.000 1.012 117 N HN 0.385 nan 8.380 nan 0.000 0.423 118 L N 1.325 122.432 121.223 -0.194 0.000 2.012 118 L HA -0.184 4.156 4.340 0.001 0.000 0.210 118 L C 1.993 178.775 176.870 -0.147 0.000 1.073 118 L CA 1.376 56.119 54.840 -0.162 0.000 0.748 118 L CB -0.683 41.287 42.059 -0.148 0.000 0.891 118 L HN 0.202 nan 8.230 nan 0.000 0.431 119 T N -1.028 113.453 114.554 -0.122 0.000 2.788 119 T HA -0.234 4.116 4.350 0.001 0.000 0.268 119 T C 1.969 176.614 174.700 -0.092 0.000 1.044 119 T CA 1.094 63.166 62.100 -0.048 0.000 1.139 119 T CB -0.245 68.696 68.868 0.122 0.000 0.867 119 T HN 0.284 nan 8.240 nan 0.000 0.454 120 R N 0.814 121.183 120.500 -0.218 0.000 2.115 120 R HA -0.084 4.257 4.340 0.001 0.000 0.230 120 R C 2.123 178.332 176.300 -0.151 0.000 1.111 120 R CA 1.009 56.969 56.100 -0.233 0.000 0.976 120 R CB -0.075 29.939 30.300 -0.477 0.000 0.870 120 R HN 0.301 nan 8.270 nan 0.000 0.445 121 E N 0.547 120.652 120.200 -0.159 0.000 2.118 121 E HA -0.161 4.189 4.350 0.001 0.000 0.195 121 E C 1.829 178.377 176.600 -0.088 0.000 0.992 121 E CA 1.060 57.389 56.400 -0.118 0.000 0.804 121 E CB 0.013 29.634 29.700 -0.131 0.000 0.741 121 E HN 0.407 nan 8.360 nan 0.000 0.458 122 L N -0.325 120.846 121.223 -0.086 0.000 2.638 122 L HA 0.091 4.432 4.340 0.001 0.000 0.232 122 L C 2.018 178.856 176.870 -0.053 0.000 1.099 122 L CA 0.185 54.981 54.840 -0.074 0.000 0.883 122 L CB 0.148 42.154 42.059 -0.088 0.000 1.136 122 L HN -0.010 nan 8.230 nan 0.000 0.492 123 T N -1.703 112.825 114.554 -0.044 0.000 2.732 123 T HA -0.166 4.185 4.350 0.001 0.000 0.261 123 T C 1.874 176.541 174.700 -0.055 0.000 1.040 123 T CA 1.099 63.171 62.100 -0.047 0.000 1.145 123 T CB -0.198 68.646 68.868 -0.039 0.000 0.866 123 T HN 0.306 nan 8.240 nan 0.000 0.427 124 H N 1.317 120.354 119.070 -0.055 0.000 2.353 124 H HA -0.035 4.522 4.556 0.001 0.000 0.300 124 H C -0.596 174.706 175.328 -0.045 0.000 1.090 124 H CA 1.536 57.556 56.048 -0.046 0.000 1.327 124 H CB -0.908 28.829 29.762 -0.041 0.000 1.383 124 H HN 0.258 nan 8.280 nan 0.000 0.508 125 P HA -0.173 nan 4.420 nan 0.000 0.215 125 P C 1.936 179.210 177.300 -0.042 0.000 1.157 125 P CA 1.515 64.617 63.100 0.003 0.000 0.874 125 P CB -0.178 31.510 31.700 -0.019 0.000 0.790 126 M N -2.226 117.336 119.600 -0.062 0.000 2.117 126 M HA -0.165 4.316 4.480 0.001 0.000 0.262 126 M C 2.242 178.485 176.300 -0.094 0.000 1.065 126 M CA 1.950 57.207 55.300 -0.072 0.000 1.114 126 M CB -0.705 31.852 32.600 -0.072 0.000 1.361 126 M HN -0.060 nan 8.290 nan 0.000 0.408 127 M N -1.032 118.479 119.600 -0.148 0.000 2.117 127 M HA -0.201 4.279 4.480 0.001 0.000 0.262 127 M C 2.295 178.495 176.300 -0.166 0.000 1.065 127 M CA 1.526 56.708 55.300 -0.197 0.000 1.114 127 M CB -0.588 31.807 32.600 -0.342 0.000 1.361 127 M HN 0.233 nan 8.290 nan 0.000 0.408 128 R N 0.736 121.149 120.500 -0.145 0.000 2.105 128 R HA -0.138 4.202 4.340 0.001 0.000 0.239 128 R C 1.817 178.094 176.300 -0.039 0.000 1.135 128 R CA 1.512 57.581 56.100 -0.052 0.000 0.967 128 R CB -0.015 30.299 30.300 0.024 0.000 0.861 128 R HN 0.346 nan 8.270 nan 0.000 0.442 129 R N -0.094 120.379 120.500 -0.045 0.000 2.310 129 R HA 0.122 4.462 4.340 0.001 0.000 0.202 129 R C 0.213 176.489 176.300 -0.039 0.000 0.933 129 R CA 0.064 56.142 56.100 -0.035 0.000 1.054 129 R CB 0.110 30.390 30.300 -0.033 0.000 0.985 129 R HN 0.178 nan 8.270 nan 0.000 0.489 130 R N 0.790 121.259 120.500 -0.053 0.000 3.502 130 R HA -0.220 4.120 4.340 0.001 0.000 0.266 130 R C -0.838 175.436 176.300 -0.043 0.000 1.077 130 R CA 0.828 56.898 56.100 -0.050 0.000 0.718 130 R CB -1.784 28.493 30.300 -0.038 0.000 1.120 130 R HN 0.315 nan 8.270 nan 0.000 0.457 131 N N -0.955 117.717 118.700 -0.047 0.000 2.521 131 N HA 0.570 5.310 4.740 0.001 0.000 0.269 131 N C -1.036 174.446 175.510 -0.047 0.000 1.079 131 N CA 0.222 53.247 53.050 -0.041 0.000 0.980 131 N CB 2.088 40.556 38.487 -0.032 0.000 1.667 131 N HN 0.258 nan 8.380 nan 0.000 0.498 132 G N 1.603 110.374 108.800 -0.048 0.000 2.489 132 G HA2 0.537 4.498 3.960 0.001 0.000 0.291 132 G HA3 0.537 4.498 3.960 0.001 0.000 0.291 132 G C -2.000 172.870 174.900 -0.050 0.000 1.487 132 G CA -0.752 44.318 45.100 -0.050 0.000 0.795 132 G HN 0.387 nan 8.290 nan 0.000 0.513 133 R N 0.276 120.748 120.500 -0.046 0.000 2.510 133 R HA 0.437 4.777 4.340 0.001 0.000 0.294 133 R C -1.254 175.022 176.300 -0.040 0.000 1.056 133 R CA -0.614 55.458 56.100 -0.047 0.000 0.918 133 R CB 1.752 32.027 30.300 -0.042 0.000 1.187 133 R HN 0.497 nan 8.270 nan 0.000 0.437 134 I N 4.606 125.151 120.570 -0.042 0.000 2.362 134 I HA 0.466 4.636 4.170 0.001 0.000 0.289 134 I C -0.019 176.084 176.117 -0.023 0.000 0.994 134 I CA -0.461 60.823 61.300 -0.026 0.000 1.158 134 I CB 1.468 39.455 38.000 -0.022 0.000 1.315 134 I HN 0.384 nan 8.210 nan 0.000 0.451 135 I N 6.383 126.946 120.570 -0.012 0.000 2.439 135 I HA 0.337 4.507 4.170 0.001 0.000 0.283 135 I C -0.801 175.316 176.117 -0.000 0.000 1.023 135 I CA -0.620 60.673 61.300 -0.012 0.000 1.100 135 I CB 1.262 39.255 38.000 -0.012 0.000 1.238 135 I HN 0.483 nan 8.210 nan 0.000 0.445 136 N N 7.139 125.839 118.700 0.001 0.000 2.408 136 N HA 0.422 5.162 4.740 0.001 0.000 0.280 136 N C -0.619 174.881 175.510 -0.016 0.000 1.002 136 N CA -0.548 52.506 53.050 0.006 0.000 0.907 136 N CB 2.340 40.849 38.487 0.037 0.000 1.161 136 N HN 0.372 nan 8.380 nan 0.000 0.488 137 I N 1.555 122.115 120.570 -0.016 0.000 2.301 137 I HA 0.123 4.293 4.170 0.001 0.000 0.292 137 I C 1.429 177.520 176.117 -0.044 0.000 1.046 137 I CA 0.058 61.343 61.300 -0.024 0.000 1.282 137 I CB 0.102 38.099 38.000 -0.005 0.000 1.409 137 I HN 0.415 nan 8.210 nan 0.000 0.484 138 T N 4.216 118.730 114.554 -0.067 0.000 3.030 138 T HA 0.497 4.847 4.350 0.001 0.000 0.274 138 T C 0.025 174.672 174.700 -0.089 0.000 1.187 138 T CA -0.225 61.813 62.100 -0.103 0.000 0.949 138 T CB 1.292 70.097 68.868 -0.105 0.000 2.268 138 T HN 0.595 nan 8.240 nan 0.000 0.554 139 S N -1.113 114.530 115.700 -0.095 0.000 2.550 139 S HA 0.384 4.854 4.470 0.001 0.000 0.270 139 S C 0.831 175.422 174.600 -0.016 0.000 1.145 139 S CA -0.409 57.765 58.200 -0.043 0.000 0.852 139 S CB 1.010 64.236 63.200 0.043 0.000 1.119 139 S HN 0.718 nan 8.310 nan 0.000 0.465 140 I N 3.657 124.229 120.570 0.003 0.000 2.181 140 I HA -0.149 4.022 4.170 0.001 0.000 0.247 140 I C 1.731 177.894 176.117 0.076 0.000 1.081 140 I CA 1.888 63.238 61.300 0.083 0.000 1.340 140 I CB -0.102 37.926 38.000 0.048 0.000 1.036 140 I HN 0.595 nan 8.210 nan 0.000 0.417 141 V N 1.189 121.135 119.914 0.053 0.000 2.594 141 V HA -0.215 3.905 4.120 0.001 0.000 0.253 141 V C 2.389 178.517 176.094 0.057 0.000 1.069 141 V CA 1.921 64.276 62.300 0.092 0.000 1.082 141 V CB -0.988 30.933 31.823 0.164 0.000 0.680 141 V HN 0.693 nan 8.190 nan 0.000 0.469 142 G N -1.351 107.451 108.800 0.002 0.000 2.471 142 G HA2 -0.152 3.808 3.960 0.001 0.000 0.219 142 G HA3 -0.152 3.808 3.960 0.001 0.000 0.219 142 G C 1.571 176.484 174.900 0.021 0.000 1.125 142 G CA 1.176 46.258 45.100 -0.028 0.000 0.775 142 G HN 0.433 nan 8.290 nan 0.000 0.548 143 V N 0.562 120.514 119.914 0.063 0.000 2.922 143 V HA 0.026 4.146 4.120 0.001 0.000 0.242 143 V C 2.988 179.113 176.094 0.051 0.000 1.094 143 V CA 2.319 64.665 62.300 0.076 0.000 1.106 143 V CB 0.186 32.102 31.823 0.155 0.000 0.799 143 V HN 0.500 nan 8.190 nan 0.000 0.474 144 T N -1.913 112.675 114.554 0.057 0.000 3.009 144 T HA 0.369 4.719 4.350 0.001 0.000 0.258 144 T C 1.182 175.915 174.700 0.055 0.000 1.063 144 T CA 0.865 62.995 62.100 0.051 0.000 1.139 144 T CB -0.193 68.715 68.868 0.067 0.000 0.890 144 T HN 1.601 nan 8.240 nan 0.000 0.471 145 G N 0.983 109.822 108.800 0.065 0.000 2.755 145 G HA2 0.051 4.011 3.960 0.001 0.000 0.686 145 G HA3 0.051 4.011 3.960 0.001 0.000 0.686 145 G C -0.946 174.013 174.900 0.099 0.000 1.427 145 G CA -0.396 44.748 45.100 0.073 0.000 0.873 145 G HN 0.795 nan 8.290 nan 0.000 0.580 146 N N 0.424 119.192 118.700 0.113 0.000 2.406 146 N HA 0.661 5.402 4.740 0.001 0.000 0.283 146 N C -2.705 172.874 175.510 0.115 0.000 1.074 146 N CA -1.145 51.983 53.050 0.130 0.000 0.916 146 N CB 2.544 41.139 38.487 0.179 0.000 1.639 146 N HN 0.471 nan 8.380 nan 0.000 0.485 147 P HA 0.264 nan 4.420 nan 0.000 0.271 147 P C 0.653 178.013 177.300 0.101 0.000 1.216 147 P CA 0.458 63.611 63.100 0.089 0.000 0.776 147 P CB 0.672 32.412 31.700 0.068 0.000 0.881 148 G N 1.995 110.863 108.800 0.115 0.000 2.194 148 G HA2 -0.232 3.728 3.960 0.001 0.000 0.236 148 G HA3 -0.232 3.728 3.960 0.001 0.000 0.236 148 G C 0.331 175.310 174.900 0.131 0.000 0.987 148 G CA -0.169 44.998 45.100 0.111 0.000 0.635 148 G HN 0.590 nan 8.290 nan 0.000 0.520 149 Q N -0.565 119.331 119.800 0.159 0.000 2.139 149 Q HA 0.602 4.942 4.340 0.001 0.000 0.301 149 Q C 1.820 177.955 176.000 0.226 0.000 0.874 149 Q CA 0.322 56.241 55.803 0.193 0.000 1.116 149 Q CB 0.989 29.852 28.738 0.209 0.000 1.278 149 Q HN 0.584 nan 8.270 nan 0.000 0.426 150 A N 1.602 124.576 122.820 0.256 0.000 1.948 150 A HA -0.279 4.042 4.320 0.001 0.000 0.220 150 A C 1.871 179.678 177.584 0.371 0.000 1.177 150 A CA 2.271 54.491 52.037 0.305 0.000 0.636 150 A CB -0.333 18.896 19.000 0.382 0.000 0.815 150 A HN 0.569 nan 8.150 nan 0.000 0.449 151 N N -1.255 117.644 118.700 0.332 0.000 2.109 151 N HA -0.199 4.541 4.740 0.001 0.000 0.188 151 N C 1.695 177.150 175.510 -0.092 0.000 1.034 151 N CA 1.871 54.918 53.050 -0.005 0.000 0.846 151 N CB -1.052 37.450 38.487 0.025 0.000 1.010 151 N HN 0.487 nan 8.380 nan 0.000 0.425 152 Y N 1.164 121.424 120.300 -0.066 0.000 2.128 152 Y HA -0.188 4.362 4.550 0.000 0.000 0.284 152 Y C 2.435 178.301 175.900 -0.056 0.000 1.154 152 Y CA 1.242 59.300 58.100 -0.069 0.000 1.149 152 Y CB -0.689 37.758 38.460 -0.022 0.000 0.976 152 Y HN 0.193 nan 8.280 nan 0.000 0.505 153 C N 0.015 119.345 119.300 0.049 0.000 2.413 153 C HA -0.200 4.260 4.460 0.001 0.000 0.276 153 C C 3.061 178.006 174.990 -0.075 0.000 1.236 153 C CA 1.250 60.258 59.018 -0.017 0.000 1.735 153 C CB -1.809 25.979 27.740 0.081 0.000 2.031 153 C HN 0.732 nan 8.230 nan 0.000 0.474 154 A N 1.154 123.946 122.820 -0.046 0.000 1.902 154 A HA -0.189 4.131 4.320 0.001 0.000 0.217 154 A C 2.322 179.813 177.584 -0.154 0.000 1.181 154 A CA 2.570 54.577 52.037 -0.050 0.000 0.623 154 A CB -0.943 18.057 19.000 0.001 0.000 0.818 154 A HN 0.724 nan 8.150 nan 0.000 0.443 155 S N -0.707 114.833 115.700 -0.265 0.000 2.383 155 S HA -0.129 4.341 4.470 0.001 0.000 0.227 155 S C 1.868 176.315 174.600 -0.254 0.000 1.026 155 S CA 1.403 59.434 58.200 -0.282 0.000 0.981 155 S CB -0.176 62.831 63.200 -0.321 0.000 0.818 155 S HN 0.409 nan 8.310 nan 0.000 0.472 156 K N 1.753 121.958 120.400 -0.325 0.000 2.137 156 K HA 0.366 4.686 4.320 0.001 0.000 0.202 156 K C 2.547 179.056 176.600 -0.152 0.000 1.052 156 K CA 1.107 57.217 56.287 -0.296 0.000 0.961 156 K CB -1.249 30.974 32.500 -0.462 0.000 0.741 156 K HN 0.455 nan 8.250 nan 0.000 0.452 157 A N 1.188 123.940 122.820 -0.113 0.000 1.883 157 A HA -0.117 4.204 4.320 0.001 0.000 0.217 157 A C 2.443 180.010 177.584 -0.027 0.000 1.186 157 A CA 2.263 54.272 52.037 -0.046 0.000 0.624 157 A CB -1.222 17.766 19.000 -0.020 0.000 0.822 157 A HN 0.366 nan 8.150 nan 0.000 0.444 158 G N -0.548 108.227 108.800 -0.043 0.000 2.432 158 G HA2 -0.107 3.854 3.960 0.001 0.000 0.219 158 G HA3 -0.107 3.854 3.960 0.001 0.000 0.219 158 G C 1.450 176.364 174.900 0.023 0.000 1.135 158 G CA 1.120 46.212 45.100 -0.014 0.000 0.767 158 G HN 0.473 nan 8.290 nan 0.000 0.550 159 L N 0.770 121.983 121.223 -0.017 0.000 2.046 159 L HA 0.041 4.381 4.340 0.001 0.000 0.208 159 L C 2.637 179.578 176.870 0.117 0.000 1.077 159 L CA 1.367 56.233 54.840 0.042 0.000 0.747 159 L CB -0.358 41.679 42.059 -0.037 0.000 0.896 159 L HN 0.277 nan 8.230 nan 0.000 0.432 160 I N -0.851 119.743 120.570 0.041 0.000 2.202 160 I HA -0.194 3.976 4.170 0.001 0.000 0.242 160 I C 2.480 178.621 176.117 0.040 0.000 1.091 160 I CA 1.254 62.569 61.300 0.026 0.000 1.368 160 I CB -1.123 36.875 38.000 -0.003 0.000 1.058 160 I HN 0.391 nan 8.210 nan 0.000 0.410 161 G N 0.800 109.634 108.800 0.056 0.000 2.418 161 G HA2 -0.321 3.639 3.960 0.001 0.000 0.217 161 G HA3 -0.321 3.639 3.960 0.001 0.000 0.217 161 G C 1.620 176.567 174.900 0.079 0.000 1.158 161 G CA 0.624 45.755 45.100 0.052 0.000 0.771 161 G HN 0.351 nan 8.290 nan 0.000 0.545 162 F N 2.463 122.404 119.950 -0.016 0.000 2.091 162 F HA -0.148 4.379 4.527 0.001 0.000 0.299 162 F C 2.837 178.636 175.800 -0.001 0.000 1.103 162 F CA 2.004 60.004 58.000 -0.000 0.000 1.228 162 F CB -0.452 38.554 39.000 0.010 0.000 0.984 162 F HN 0.159 nan 8.300 nan 0.000 0.477 163 S N 0.482 116.101 115.700 -0.134 0.000 2.368 163 S HA -0.207 4.264 4.470 0.001 0.000 0.225 163 S C 1.864 176.332 174.600 -0.220 0.000 1.030 163 S CA 1.604 59.661 58.200 -0.239 0.000 0.999 163 S CB -0.355 62.817 63.200 -0.047 0.000 0.844 163 S HN 0.426 nan 8.310 nan 0.000 0.459 164 K N 1.103 121.425 120.400 -0.130 0.000 2.026 164 K HA -0.055 4.265 4.320 0.001 0.000 0.208 164 K C 2.570 179.091 176.600 -0.132 0.000 1.048 164 K CA 1.414 57.636 56.287 -0.107 0.000 0.929 164 K CB -0.392 32.072 32.500 -0.059 0.000 0.713 164 K HN 0.252 nan 8.250 nan 0.000 0.439 165 S N 1.101 116.715 115.700 -0.143 0.000 2.356 165 S HA -0.136 4.334 4.470 0.001 0.000 0.223 165 S C 1.954 176.440 174.600 -0.190 0.000 1.032 165 S CA 0.998 59.119 58.200 -0.132 0.000 1.005 165 S CB -0.208 62.938 63.200 -0.090 0.000 0.867 165 S HN 0.230 nan 8.310 nan 0.000 0.449 166 L N 1.870 122.885 121.223 -0.346 0.000 2.056 166 L HA 0.162 4.502 4.340 0.001 0.000 0.207 166 L C 2.538 179.271 176.870 -0.229 0.000 1.078 166 L CA 2.029 56.655 54.840 -0.356 0.000 0.749 166 L CB -1.325 40.345 42.059 -0.648 0.000 0.901 166 L HN 0.340 nan 8.230 nan 0.000 0.433 167 A N -1.046 121.646 122.820 -0.214 0.000 1.883 167 A HA -0.298 4.023 4.320 0.001 0.000 0.217 167 A C 2.202 179.712 177.584 -0.123 0.000 1.186 167 A CA 2.066 54.011 52.037 -0.153 0.000 0.624 167 A CB -0.638 18.279 19.000 -0.137 0.000 0.822 167 A HN 0.664 nan 8.150 nan 0.000 0.444 168 Q N -0.863 118.869 119.800 -0.113 0.000 2.119 168 Q HA -0.177 4.163 4.340 0.001 0.000 0.201 168 Q C 2.008 177.962 176.000 -0.077 0.000 0.972 168 Q CA 1.453 57.203 55.803 -0.087 0.000 0.847 168 Q CB -0.152 28.543 28.738 -0.073 0.000 0.903 168 Q HN 0.770 nan 8.270 nan 0.000 0.433 169 E N 0.453 120.602 120.200 -0.085 0.000 2.077 169 E HA -0.152 4.198 4.350 0.001 0.000 0.193 169 E C 1.776 178.334 176.600 -0.070 0.000 0.989 169 E CA 1.235 57.594 56.400 -0.068 0.000 0.800 169 E CB 0.067 29.727 29.700 -0.067 0.000 0.746 169 E HN 0.504 nan 8.360 nan 0.000 0.452 170 I N -3.998 116.519 120.570 -0.088 0.000 4.154 170 I HA 0.385 4.555 4.170 0.001 0.000 0.334 170 I C 1.841 177.907 176.117 -0.084 0.000 1.371 170 I CA -0.027 61.219 61.300 -0.090 0.000 1.110 170 I CB 0.569 38.506 38.000 -0.105 0.000 1.085 170 I HN -0.145 nan 8.210 nan 0.000 0.398 171 A N 2.285 125.056 122.820 -0.081 0.000 1.940 171 A HA -0.221 4.100 4.320 0.001 0.000 0.219 171 A C 2.504 180.056 177.584 -0.053 0.000 1.176 171 A CA 2.400 54.392 52.037 -0.074 0.000 0.631 171 A CB -0.877 18.073 19.000 -0.084 0.000 0.814 171 A HN 0.696 nan 8.150 nan 0.000 0.446 172 S N -1.212 114.460 115.700 -0.047 0.000 2.515 172 S HA -0.009 4.461 4.470 0.001 0.000 0.231 172 S C 1.575 176.153 174.600 -0.038 0.000 0.987 172 S CA 0.528 58.708 58.200 -0.032 0.000 0.936 172 S CB -0.202 62.981 63.200 -0.028 0.000 0.766 172 S HN 0.490 nan 8.310 nan 0.000 0.528 173 R N 1.440 121.907 120.500 -0.055 0.000 2.334 173 R HA 0.213 4.554 4.340 0.001 0.000 0.220 173 R C -0.172 176.094 176.300 -0.057 0.000 0.917 173 R CA 0.092 56.154 56.100 -0.064 0.000 1.073 173 R CB -0.618 29.625 30.300 -0.096 0.000 1.056 173 R HN 0.445 nan 8.270 nan 0.000 0.506 174 N N -0.115 118.558 118.700 -0.045 0.000 2.747 174 N HA -0.137 4.603 4.740 0.001 0.000 0.249 174 N C -0.872 174.609 175.510 -0.048 0.000 1.107 174 N CA 0.769 53.797 53.050 -0.036 0.000 0.707 174 N CB -1.632 36.840 38.487 -0.026 0.000 1.054 174 N HN -0.027 nan 8.380 nan 0.000 0.555 175 V N 1.003 120.879 119.914 -0.063 0.000 2.357 175 V HA 0.446 4.567 4.120 0.001 0.000 0.284 175 V C 0.883 176.932 176.094 -0.076 0.000 1.018 175 V CA -0.489 61.769 62.300 -0.070 0.000 0.841 175 V CB 1.730 33.504 31.823 -0.083 0.000 0.991 175 V HN 0.354 nan 8.190 nan 0.000 0.437 176 T N 2.170 116.680 114.554 -0.073 0.000 2.907 176 T HA 0.720 5.071 4.350 0.001 0.000 0.284 176 T C -0.521 174.128 174.700 -0.084 0.000 1.004 176 T CA -0.717 61.334 62.100 -0.082 0.000 1.063 176 T CB 1.880 70.700 68.868 -0.080 0.000 0.992 176 T HN 0.715 nan 8.240 nan 0.000 0.483 177 V N 2.951 122.808 119.914 -0.095 0.000 2.525 177 V HA 0.682 4.802 4.120 0.001 0.000 0.299 177 V C -1.616 174.429 176.094 -0.082 0.000 1.034 177 V CA -0.659 61.586 62.300 -0.092 0.000 0.863 177 V CB 1.350 33.098 31.823 -0.125 0.000 0.999 177 V HN 1.038 nan 8.190 nan 0.000 0.423 178 N N 4.151 122.815 118.700 -0.060 0.000 2.416 178 N HA 0.615 5.355 4.740 0.001 0.000 0.276 178 N C -1.522 173.965 175.510 -0.039 0.000 1.261 178 N CA -0.268 52.752 53.050 -0.050 0.000 0.790 178 N CB 2.209 40.669 38.487 -0.046 0.000 1.554 178 N HN 0.707 nan 8.380 nan 0.000 0.481 179 C N 0.977 120.249 119.300 -0.047 0.000 2.493 179 C HA 0.668 5.128 4.460 0.001 0.000 0.326 179 C C 0.134 175.077 174.990 -0.078 0.000 1.200 179 C CA -0.554 58.430 59.018 -0.057 0.000 1.739 179 C CB 0.656 28.354 27.740 -0.069 0.000 2.300 179 C HN 0.544 nan 8.230 nan 0.000 0.500 180 I N 2.170 122.695 120.570 -0.076 0.000 2.433 180 I HA 0.535 4.705 4.170 0.001 0.000 0.292 180 I C 0.143 176.189 176.117 -0.119 0.000 1.001 180 I CA -0.210 61.036 61.300 -0.090 0.000 1.119 180 I CB 1.504 39.481 38.000 -0.039 0.000 1.289 180 I HN 0.739 nan 8.210 nan 0.000 0.438 181 A N 7.971 130.681 122.820 -0.183 0.000 2.511 181 A HA 0.667 4.987 4.320 0.001 0.000 0.340 181 A C -2.614 174.938 177.584 -0.054 0.000 1.396 181 A CA -1.569 50.376 52.037 -0.154 0.000 0.887 181 A CB -0.197 18.618 19.000 -0.308 0.000 1.145 181 A HN 0.312 nan 8.150 nan 0.000 0.497 182 P HA 0.219 nan 4.420 nan 0.000 0.269 182 P C 0.990 178.256 177.300 -0.057 0.000 1.209 182 P CA 0.343 63.423 63.100 -0.034 0.000 0.776 182 P CB 1.155 32.829 31.700 -0.044 0.000 0.876 183 G N 1.424 110.207 108.800 -0.028 0.000 3.152 183 G HA2 0.194 4.155 3.960 0.001 0.000 0.157 183 G HA3 0.194 4.155 3.960 0.001 0.000 0.157 183 G C -0.831 173.942 174.900 -0.212 0.000 1.786 183 G CA -0.275 44.792 45.100 -0.056 0.000 1.055 183 G HN 0.356 nan 8.290 nan 0.000 0.528 184 F N 0.919 120.894 119.950 0.042 0.000 2.405 184 F HA 0.456 4.983 4.527 0.000 0.000 0.355 184 F C 0.233 176.048 175.800 0.025 0.000 1.121 184 F CA -0.451 57.567 58.000 0.031 0.000 1.112 184 F CB 1.409 40.423 39.000 0.023 0.000 1.126 184 F HN -0.088 nan 8.300 nan 0.000 0.481 185 I N 2.727 123.372 120.570 0.124 0.000 2.493 185 I HA 0.285 4.456 4.170 0.001 0.000 0.298 185 I C 0.416 176.588 176.117 0.090 0.000 0.998 185 I CA -0.979 60.368 61.300 0.079 0.000 1.137 185 I CB 1.437 39.455 38.000 0.030 0.000 1.310 185 I HN 0.593 nan 8.210 nan 0.000 0.445 199 D N 1.651 122.017 120.400 -0.057 0.000 2.348 199 D HA -0.041 4.599 4.640 0.001 0.000 0.216 199 D C 1.524 177.788 176.300 -0.060 0.000 0.970 199 D CA 0.942 54.913 54.000 -0.050 0.000 0.889 199 D CB 0.358 41.138 40.800 -0.033 0.000 0.912 199 D HN 0.624 nan 8.370 nan 0.000 0.524 200 A N 0.496 123.272 122.820 -0.073 0.000 1.902 200 A HA -0.146 4.175 4.320 0.001 0.000 0.217 200 A C 2.282 179.795 177.584 -0.117 0.000 1.181 200 A CA 0.819 52.807 52.037 -0.081 0.000 0.623 200 A CB -0.479 18.473 19.000 -0.080 0.000 0.818 200 A HN 0.199 nan 8.150 nan 0.000 0.443 201 I N -0.750 119.712 120.570 -0.180 0.000 2.193 201 I HA -0.242 3.928 4.170 0.001 0.000 0.240 201 I C 2.623 178.649 176.117 -0.152 0.000 1.084 201 I CA 1.280 62.414 61.300 -0.277 0.000 1.365 201 I CB -0.284 37.412 38.000 -0.506 0.000 1.064 201 I HN 0.290 nan 8.210 nan 0.000 0.410 202 M N 0.312 119.852 119.600 -0.100 0.000 2.374 202 M HA -0.088 4.392 4.480 0.001 0.000 0.264 202 M C 2.307 178.590 176.300 -0.029 0.000 1.067 202 M CA 1.459 56.733 55.300 -0.043 0.000 1.103 202 M CB -0.990 31.593 32.600 -0.028 0.000 1.402 202 M HN 0.387 nan 8.290 nan 0.000 0.444 203 G N 0.815 109.592 108.800 -0.038 0.000 2.462 203 G HA2 -0.213 3.747 3.960 0.001 0.000 0.220 203 G HA3 -0.213 3.747 3.960 0.001 0.000 0.220 203 G C 1.236 176.127 174.900 -0.016 0.000 1.121 203 G CA 0.854 45.939 45.100 -0.025 0.000 0.758 203 G HN 0.394 nan 8.290 nan 0.000 0.559 204 N N -0.041 118.648 118.700 -0.019 0.000 2.280 204 N HA 0.181 4.921 4.740 0.001 0.000 0.192 204 N C -0.021 175.501 175.510 0.021 0.000 1.109 204 N CA 0.022 53.072 53.050 0.001 0.000 0.855 204 N CB 0.503 38.991 38.487 0.002 0.000 0.974 204 N HN 0.267 nan 8.380 nan 0.000 0.482 205 I N 1.196 121.777 120.570 0.019 0.000 2.371 205 I HA 0.236 4.406 4.170 0.001 0.000 0.282 205 I C -1.577 174.553 176.117 0.022 0.000 1.031 205 I CA -2.001 59.321 61.300 0.035 0.000 1.180 205 I CB 2.145 40.175 38.000 0.050 0.000 1.336 205 I HN -0.291 nan 8.210 nan 0.000 0.467 206 P HA -0.176 nan 4.420 nan 0.000 0.217 206 P C 1.680 178.988 177.300 0.013 0.000 1.148 206 P CA 1.527 64.635 63.100 0.013 0.000 0.834 206 P CB 0.218 31.925 31.700 0.012 0.000 0.783 207 M N -2.088 117.523 119.600 0.019 0.000 2.419 207 M HA -0.022 4.459 4.480 0.001 0.000 0.264 207 M C 0.223 176.533 176.300 0.016 0.000 1.082 207 M CA 0.991 56.302 55.300 0.017 0.000 1.119 207 M CB -0.319 32.294 32.600 0.022 0.000 1.398 207 M HN -0.316 nan 8.290 nan 0.000 0.453 208 K N 1.311 121.721 120.400 0.017 0.000 3.071 208 K HA -0.203 4.117 4.320 0.001 0.000 0.265 208 K C -0.527 176.082 176.600 0.014 0.000 1.060 208 K CA 0.891 57.185 56.287 0.012 0.000 0.767 208 K CB -1.156 31.348 32.500 0.006 0.000 1.241 208 K HN 0.664 nan 8.250 nan 0.000 0.486 209 R N -1.807 118.706 120.500 0.023 0.000 2.734 209 R HA 0.563 4.903 4.340 0.001 0.000 0.271 209 R C -0.543 175.782 176.300 0.042 0.000 1.021 209 R CA -1.275 54.840 56.100 0.026 0.000 0.893 209 R CB 0.853 31.166 30.300 0.022 0.000 1.244 209 R HN -0.084 nan 8.270 nan 0.000 0.464 210 M N 1.066 120.694 119.600 0.046 0.000 2.247 210 M HA 0.315 4.795 4.480 0.001 0.000 0.326 210 M C 0.765 177.101 176.300 0.061 0.000 1.134 210 M CA -0.267 55.075 55.300 0.070 0.000 1.136 210 M CB 1.198 33.839 32.600 0.069 0.000 1.454 210 M HN 0.918 nan 8.290 nan 0.000 0.467 211 G N 0.994 109.837 108.800 0.073 0.000 2.503 211 G HA2 0.489 4.449 3.960 0.001 0.000 0.257 211 G HA3 0.489 4.449 3.960 0.001 0.000 0.257 211 G C -0.299 174.626 174.900 0.042 0.000 1.214 211 G CA -0.555 44.576 45.100 0.050 0.000 0.839 211 G HN 0.677 nan 8.290 nan 0.000 0.559 212 V N 0.030 119.962 119.914 0.030 0.000 2.994 212 V HA 0.799 4.920 4.120 0.001 0.000 0.318 212 V C 1.459 177.565 176.094 0.020 0.000 1.085 212 V CA -0.038 62.277 62.300 0.025 0.000 0.998 212 V CB 1.228 33.063 31.823 0.020 0.000 1.063 212 V HN 0.862 nan 8.190 nan 0.000 0.447 213 G N 0.837 109.649 108.800 0.019 0.000 2.469 213 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 213 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 213 G C 1.408 176.318 174.900 0.016 0.000 1.136 213 G CA 1.362 46.473 45.100 0.018 0.000 0.759 213 G HN 1.492 nan 8.290 nan 0.000 0.562 214 A N 0.708 123.537 122.820 0.015 0.000 2.019 214 A HA -0.020 4.301 4.320 0.001 0.000 0.219 214 A C 2.051 179.639 177.584 0.007 0.000 1.164 214 A CA 1.929 53.974 52.037 0.012 0.000 0.644 214 A CB -0.267 18.740 19.000 0.012 0.000 0.805 214 A HN 0.301 nan 8.150 nan 0.000 0.449 215 D N 0.199 120.603 120.400 0.007 0.000 2.117 215 D HA -0.127 4.513 4.640 0.001 0.000 0.197 215 D C 1.813 178.114 176.300 0.001 0.000 0.987 215 D CA 1.125 55.127 54.000 0.002 0.000 0.829 215 D CB -0.170 40.635 40.800 0.009 0.000 0.961 215 D HN 0.373 nan 8.370 nan 0.000 0.460 216 I N 1.133 121.707 120.570 0.007 0.000 2.333 216 I HA -0.073 4.098 4.170 0.001 0.000 0.246 216 I C 2.534 178.657 176.117 0.011 0.000 1.106 216 I CA 0.363 61.667 61.300 0.007 0.000 1.411 216 I CB -1.447 36.557 38.000 0.007 0.000 1.082 216 I HN -0.151 nan 8.210 nan 0.000 0.420 217 A N 1.305 124.133 122.820 0.014 0.000 1.908 217 A HA -0.171 4.149 4.320 0.001 0.000 0.218 217 A C 2.561 180.154 177.584 0.015 0.000 1.181 217 A CA 2.259 54.308 52.037 0.019 0.000 0.627 217 A CB -0.817 18.197 19.000 0.023 0.000 0.818 217 A HN 0.409 nan 8.150 nan 0.000 0.445 218 A N -0.435 122.386 122.820 0.001 0.000 1.969 218 A HA 0.211 4.531 4.320 0.001 0.000 0.218 218 A C 2.451 180.031 177.584 -0.008 0.000 1.169 218 A CA 1.911 53.937 52.037 -0.019 0.000 0.635 218 A CB -0.855 18.120 19.000 -0.041 0.000 0.810 218 A HN 1.054 nan 8.150 nan 0.000 0.445 219 A N -0.596 122.230 122.820 0.011 0.000 1.930 219 A HA 0.067 4.388 4.320 0.001 0.000 0.217 219 A C 2.181 179.812 177.584 0.079 0.000 1.175 219 A CA 1.586 53.656 52.037 0.054 0.000 0.627 219 A CB -0.733 18.286 19.000 0.031 0.000 0.815 219 A HN 0.342 nan 8.150 nan 0.000 0.443 220 V N -0.440 119.497 119.914 0.039 0.000 2.358 220 V HA -0.211 3.909 4.120 0.001 0.000 0.246 220 V C 2.565 178.674 176.094 0.025 0.000 1.047 220 V CA 1.927 64.244 62.300 0.027 0.000 1.035 220 V CB -0.706 31.131 31.823 0.023 0.000 0.658 220 V HN 0.365 nan 8.190 nan 0.000 0.452 221 V N -0.655 119.278 119.914 0.032 0.000 2.295 221 V HA -0.299 3.822 4.120 0.001 0.000 0.246 221 V C 2.241 178.361 176.094 0.043 0.000 1.049 221 V CA 2.507 64.829 62.300 0.037 0.000 1.024 221 V CB -0.820 31.021 31.823 0.030 0.000 0.648 221 V HN 0.676 nan 8.190 nan 0.000 0.447 222 Y N 0.727 120.961 120.300 -0.110 0.000 2.097 222 Y HA -0.256 4.295 4.550 0.001 0.000 0.282 222 Y C 2.180 178.096 175.900 0.026 0.000 1.152 222 Y CA 1.846 59.871 58.100 -0.124 0.000 1.136 222 Y CB -0.456 37.879 38.460 -0.209 0.000 0.975 222 Y HN 0.158 nan 8.280 nan 0.000 0.498 223 L N -0.230 120.844 121.223 -0.248 0.000 2.141 223 L HA -0.141 4.199 4.340 0.001 0.000 0.209 223 L C 2.731 179.489 176.870 -0.188 0.000 1.094 223 L CA 1.008 55.663 54.840 -0.309 0.000 0.763 223 L CB -0.885 41.108 42.059 -0.110 0.000 0.908 223 L HN 0.357 nan 8.230 nan 0.000 0.437 224 A N -0.156 122.611 122.820 -0.090 0.000 2.015 224 A HA -0.083 4.237 4.320 0.001 0.000 0.219 224 A C 1.544 179.110 177.584 -0.029 0.000 1.163 224 A CA 0.885 52.897 52.037 -0.043 0.000 0.646 224 A CB -0.553 18.445 19.000 -0.004 0.000 0.806 224 A HN 0.477 nan 8.150 nan 0.000 0.448 225 S N 0.144 115.836 115.700 -0.014 0.000 2.573 225 S HA 0.056 4.526 4.470 0.001 0.000 0.277 225 S C 0.364 174.962 174.600 -0.004 0.000 1.346 225 S CA 0.081 58.315 58.200 0.056 0.000 1.034 225 S CB 0.555 63.916 63.200 0.268 0.000 0.879 225 S HN 0.371 nan 8.310 nan 0.000 0.528 226 D N 1.717 122.116 120.400 -0.002 0.000 2.221 226 D HA -0.101 4.540 4.640 0.001 0.000 0.204 226 D C 1.536 177.820 176.300 -0.025 0.000 0.982 226 D CA 1.399 55.386 54.000 -0.022 0.000 0.857 226 D CB -0.231 40.551 40.800 -0.030 0.000 0.934 226 D HN 0.767 nan 8.370 nan 0.000 0.475 227 E N 0.308 120.495 120.200 -0.023 0.000 2.268 227 E HA -0.009 4.342 4.350 0.001 0.000 0.195 227 E C 1.327 177.949 176.600 0.037 0.000 0.995 227 E CA 0.667 57.065 56.400 -0.004 0.000 0.836 227 E CB 0.004 29.668 29.700 -0.060 0.000 0.763 227 E HN 0.173 nan 8.360 nan 0.000 0.491 228 A N 0.089 122.863 122.820 -0.077 0.000 2.577 228 A HA 0.514 4.834 4.320 0.001 0.000 0.280 228 A C 1.752 179.292 177.584 -0.074 0.000 1.331 228 A CA 0.453 52.379 52.037 -0.185 0.000 0.935 228 A CB -0.208 18.409 19.000 -0.639 0.000 1.082 228 A HN 0.207 nan 8.150 nan 0.000 0.525 229 A N -1.066 121.751 122.820 -0.005 0.000 2.019 229 A HA -0.120 4.201 4.320 0.001 0.000 0.219 229 A C 1.585 179.229 177.584 0.099 0.000 1.164 229 A CA 1.348 53.401 52.037 0.026 0.000 0.644 229 A CB -0.492 18.527 19.000 0.031 0.000 0.805 229 A HN 0.642 nan 8.150 nan 0.000 0.449 230 Y N -0.382 119.901 120.300 -0.028 0.000 2.468 230 Y HA 0.329 4.879 4.550 0.000 0.000 0.268 230 Y C 0.048 175.945 175.900 -0.006 0.000 1.177 230 Y CA -0.612 57.481 58.100 -0.012 0.000 1.265 230 Y CB 0.346 38.809 38.460 0.004 0.000 1.103 230 Y HN -0.002 nan 8.280 nan 0.000 0.522 231 V N 0.807 120.712 119.914 -0.014 0.000 2.347 231 V HA 0.435 4.555 4.120 0.001 0.000 0.280 231 V C 0.032 176.069 176.094 -0.095 0.000 1.021 231 V CA -0.274 61.994 62.300 -0.052 0.000 0.847 231 V CB 1.210 33.032 31.823 -0.002 0.000 0.990 231 V HN 0.155 nan 8.190 nan 0.000 0.444 232 T N 2.870 117.351 114.554 -0.122 0.000 2.932 232 T HA 0.597 4.947 4.350 0.001 0.000 0.318 232 T C 0.565 175.204 174.700 -0.102 0.000 1.265 232 T CA 0.627 62.660 62.100 -0.112 0.000 1.036 232 T CB 1.482 70.275 68.868 -0.126 0.000 1.209 232 T HN 1.470 nan 8.240 nan 0.000 0.484 233 G N 2.595 111.340 108.800 -0.092 0.000 2.143 233 G HA2 -0.172 3.788 3.960 0.001 0.000 0.248 233 G HA3 -0.172 3.788 3.960 0.001 0.000 0.248 233 G C -0.035 174.830 174.900 -0.058 0.000 0.991 233 G CA 0.308 45.358 45.100 -0.083 0.000 0.689 233 G HN 0.710 nan 8.290 nan 0.000 0.522 234 Q N -0.215 119.555 119.800 -0.049 0.000 2.195 234 Q HA 0.717 5.057 4.340 0.001 0.000 0.250 234 Q C -0.249 175.728 176.000 -0.039 0.000 0.988 234 Q CA -0.205 55.581 55.803 -0.028 0.000 0.911 234 Q CB 1.464 30.199 28.738 -0.005 0.000 1.258 234 Q HN 0.182 nan 8.270 nan 0.000 0.475 235 T N 1.719 116.247 114.554 -0.043 0.000 2.864 235 T HA 0.327 4.677 4.350 0.001 0.000 0.299 235 T C -0.812 173.794 174.700 -0.156 0.000 1.011 235 T CA -0.500 61.520 62.100 -0.133 0.000 0.975 235 T CB 0.557 69.321 68.868 -0.174 0.000 0.962 235 T HN 0.225 nan 8.240 nan 0.000 0.448 236 L N 4.956 126.091 121.223 -0.146 0.000 2.261 236 L HA 0.426 4.767 4.340 0.001 0.000 0.289 236 L C -0.574 176.201 176.870 -0.159 0.000 1.059 236 L CA -0.398 54.398 54.840 -0.073 0.000 0.816 236 L CB -0.301 41.763 42.059 0.008 0.000 1.191 236 L HN 0.628 nan 8.230 nan 0.000 0.431 237 H N 3.553 122.627 119.070 0.007 0.000 2.668 237 H HA 0.490 5.047 4.556 0.001 0.000 0.303 237 H C -0.560 174.768 175.328 -0.001 0.000 1.074 237 H CA -0.176 55.873 56.048 0.002 0.000 1.406 237 H CB 1.061 30.826 29.762 0.004 0.000 1.442 237 H HN 0.367 nan 8.280 nan 0.000 0.482 238 V N 4.868 124.835 119.914 0.088 0.000 2.320 238 V HA 0.150 4.271 4.120 0.001 0.000 0.268 238 V C 0.253 176.381 176.094 0.057 0.000 1.021 238 V CA -0.554 61.776 62.300 0.050 0.000 0.813 238 V CB 0.127 31.960 31.823 0.017 0.000 1.054 238 V HN 1.057 nan 8.190 nan 0.000 0.444 239 N N 2.334 121.077 118.700 0.070 0.000 2.193 239 N HA 0.164 4.904 4.740 0.001 0.000 0.236 239 N C 1.040 176.594 175.510 0.074 0.000 1.347 239 N CA 0.105 53.203 53.050 0.079 0.000 0.812 239 N CB 1.382 39.928 38.487 0.100 0.000 1.297 239 N HN 0.721 nan 8.380 nan 0.000 0.499 240 G N 0.793 109.626 108.800 0.054 0.000 2.203 240 G HA2 -0.200 3.761 3.960 0.001 0.000 0.263 240 G HA3 -0.200 3.761 3.960 0.001 0.000 0.263 240 G C 0.994 175.917 174.900 0.037 0.000 1.012 240 G CA 0.547 45.674 45.100 0.044 0.000 0.749 240 G HN 1.330 nan 8.290 nan 0.000 0.512 241 G N -1.244 107.576 108.800 0.034 0.000 2.159 241 G HA2 -0.313 3.648 3.960 0.001 0.000 0.256 241 G HA3 -0.313 3.648 3.960 0.001 0.000 0.256 241 G C 1.108 176.023 174.900 0.024 0.000 0.977 241 G CA 1.329 46.442 45.100 0.021 0.000 0.652 241 G HN 1.283 nan 8.290 nan 0.000 0.531 242 M N 0.065 119.694 119.600 0.048 0.000 2.149 242 M HA 0.268 4.748 4.480 0.001 0.000 0.261 242 M C 1.239 177.561 176.300 0.037 0.000 1.064 242 M CA 2.275 57.613 55.300 0.063 0.000 1.102 242 M CB -0.085 32.590 32.600 0.125 0.000 1.369 242 M HN 1.009 nan 8.290 nan 0.000 0.408 243 A N 0.347 123.168 122.820 0.001 0.000 2.455 243 A HA 0.661 4.981 4.320 0.001 0.000 0.300 243 A C -1.063 176.445 177.584 -0.127 0.000 1.040 243 A CA -0.751 51.250 52.037 -0.060 0.000 0.697 243 A CB 1.207 20.160 19.000 -0.079 0.000 1.265 243 A HN 0.346 nan 8.150 nan 0.000 0.407 244 M N 3.183 122.713 119.600 -0.116 0.000 2.046 244 M HA 0.414 4.894 4.480 0.001 0.000 0.309 244 M C -1.176 175.049 176.300 -0.126 0.000 0.935 244 M CA -0.193 55.042 55.300 -0.108 0.000 0.915 244 M CB 1.105 33.675 32.600 -0.050 0.000 1.474 244 M HN 0.629 nan 8.290 nan 0.000 0.415 245 I N 0.000 120.466 120.570 -0.174 0.000 2.984 245 I HA 0.000 4.170 4.170 0.001 0.000 0.288 245 I CA 0.000 61.228 61.300 -0.120 0.000 1.566 245 I CB 0.000 37.897 38.000 -0.171 0.000 1.214 245 I HN 0.000 nan 8.210 nan 0.000 0.494