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 2y3z_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMKVAVLPGD GIGPEVTEAA LKVLRALDEA EGLGLAYEVF PFGGAAIDAF DATA SEQUENCE GEPFPEPTRK GVEEAEAVLL GSVGGPKWDG LPRKIRPETG LLSLRKSQDL DATA SEQUENCE FANLRPAKVF PGLERLSPLK EEIARGVDVL IVRELTGGIY FGEPRGMSEA DATA SEQUENCE EAWNTERYSK PEVERVARVA FEAARKRRKH VVSVDKANVL EVGEFWRKTV DATA SEQUENCE EEVGRGYPDV ALEHQYVDAM AMHLVRSPAR FDVVVTGNIF GDILSDLASV DATA SEQUENCE LPGSLGLLPS ASLGRGTPVF EPVHGSAPDI AGKGIANPTA AILSAAMMLE DATA SEQUENCE HAFGLVELAR KVEDAVAKAL LETPPPDLGG SAGTEAFTAT VLRHLAAAAL DATA SEQUENCE E 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.554 174.600 -0.077 0.000 1.055 0 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 0 S CB 0.000 63.225 63.200 0.042 0.000 0.593 1 M N 5.231 124.756 119.600 -0.126 0.000 2.060 1 M HA 0.421 4.891 4.480 -0.017 0.000 0.231 1 M C -1.452 174.827 176.300 -0.034 0.000 0.936 1 M CA -0.361 54.747 55.300 -0.320 0.000 0.981 1 M CB 0.700 32.927 32.600 -0.621 0.000 2.216 1 M HN 0.580 nan 8.290 nan 0.000 0.399 2 K N 3.376 123.868 120.400 0.153 0.000 2.262 2 K HA 0.597 4.907 4.320 -0.017 0.000 0.282 2 K C -1.545 175.206 176.600 0.252 0.000 1.066 2 K CA -0.406 55.987 56.287 0.177 0.000 0.901 2 K CB 1.054 33.650 32.500 0.161 0.000 1.089 2 K HN 0.518 nan 8.250 nan 0.000 0.476 3 V N 3.246 123.311 119.914 0.251 0.000 2.540 3 V HA 0.486 4.596 4.120 -0.017 0.000 0.302 3 V C -0.371 175.904 176.094 0.302 0.000 1.035 3 V CA -1.099 61.361 62.300 0.268 0.000 0.873 3 V CB 1.522 33.477 31.823 0.219 0.000 0.992 3 V HN 0.897 nan 8.190 nan 0.000 0.428 4 A N 4.672 127.662 122.820 0.284 0.000 2.276 4 A HA 0.743 5.053 4.320 -0.017 0.000 0.300 4 A C -0.491 177.273 177.584 0.300 0.000 1.235 4 A CA -0.381 51.892 52.037 0.395 0.000 0.867 4 A CB 0.768 19.896 19.000 0.214 0.000 1.137 4 A HN 0.695 nan 8.150 nan 0.000 0.527 5 V N 4.015 124.130 119.914 0.335 0.000 2.370 5 V HA 0.319 4.429 4.120 -0.017 0.000 0.283 5 V C -0.703 175.522 176.094 0.218 0.000 1.023 5 V CA -0.265 62.150 62.300 0.191 0.000 0.857 5 V CB 1.124 33.016 31.823 0.115 0.000 0.985 5 V HN 0.696 nan 8.190 nan 0.000 0.443 6 L N 8.960 130.267 121.223 0.140 0.000 2.387 6 L HA 0.441 4.771 4.340 -0.017 0.000 0.259 6 L C -1.513 175.446 176.870 0.148 0.000 1.050 6 L CA -1.371 53.557 54.840 0.147 0.000 0.922 6 L CB 1.520 43.540 42.059 -0.064 0.000 1.280 6 L HN 0.380 nan 8.230 nan 0.000 0.449 7 P HA 0.038 nan 4.420 nan 0.000 0.221 7 P C 0.969 178.356 177.300 0.144 0.000 1.150 7 P CA 1.143 64.320 63.100 0.128 0.000 0.800 7 P CB 0.548 32.315 31.700 0.112 0.000 0.787 8 G N 0.241 109.148 108.800 0.179 0.000 2.512 8 G HA2 -0.173 3.777 3.960 -0.017 0.000 0.254 8 G HA3 -0.173 3.777 3.960 -0.017 0.000 0.254 8 G C -0.943 174.016 174.900 0.097 0.000 1.199 8 G CA 0.088 45.281 45.100 0.155 0.000 0.941 8 G HN 0.252 nan 8.290 nan 0.000 0.569 9 D N 0.666 121.119 120.400 0.089 0.000 2.450 9 D HA 0.595 5.226 4.640 -0.017 0.000 0.238 9 D C 1.115 177.505 176.300 0.150 0.000 1.020 9 D CA 1.068 55.140 54.000 0.121 0.000 1.010 9 D CB 0.949 41.815 40.800 0.110 0.000 1.342 9 D HN 1.804 nan 8.370 nan 0.000 0.530 10 G N 0.834 109.738 108.800 0.173 0.000 2.611 10 G HA2 -0.327 3.623 3.960 -0.017 0.000 0.301 10 G HA3 -0.327 3.623 3.960 -0.017 0.000 0.301 10 G C 1.115 176.078 174.900 0.105 0.000 1.233 10 G CA 0.606 45.787 45.100 0.134 0.000 0.993 10 G HN 0.726 nan 8.290 nan 0.000 0.553 11 I N 0.374 120.999 120.570 0.093 0.000 3.334 11 I HA 0.297 4.457 4.170 -0.017 0.000 0.282 11 I C 2.300 178.484 176.117 0.112 0.000 1.313 11 I CA 1.491 62.839 61.300 0.079 0.000 1.396 11 I CB -0.902 37.118 38.000 0.034 0.000 1.054 11 I HN 0.662 nan 8.210 nan 0.000 0.495 12 G N 2.633 111.512 108.800 0.132 0.000 2.529 12 G HA2 -0.190 3.760 3.960 -0.017 0.000 0.219 12 G HA3 -0.190 3.760 3.960 -0.017 0.000 0.219 12 G C -0.443 174.520 174.900 0.105 0.000 1.177 12 G CA 1.191 46.370 45.100 0.131 0.000 0.773 12 G HN 0.389 nan 8.290 nan 0.000 0.573 13 P HA -0.036 nan 4.420 nan 0.000 0.215 13 P C 1.679 179.020 177.300 0.069 0.000 1.153 13 P CA 1.487 64.635 63.100 0.081 0.000 0.853 13 P CB -0.013 31.734 31.700 0.079 0.000 0.788 14 E N -0.593 119.647 120.200 0.067 0.000 2.031 14 E HA -0.151 4.189 4.350 -0.017 0.000 0.193 14 E C 1.942 178.579 176.600 0.062 0.000 0.994 14 E CA 1.779 58.213 56.400 0.057 0.000 0.800 14 E CB -0.701 29.027 29.700 0.047 0.000 0.752 14 E HN 0.158 nan 8.360 nan 0.000 0.447 15 V N -1.261 118.701 119.914 0.079 0.000 2.667 15 V HA -0.110 4.000 4.120 -0.017 0.000 0.252 15 V C 1.967 178.108 176.094 0.078 0.000 1.065 15 V CA 1.777 64.131 62.300 0.091 0.000 1.083 15 V CB -0.578 31.331 31.823 0.144 0.000 0.692 15 V HN 0.115 nan 8.190 nan 0.000 0.468 16 T N 0.580 115.175 114.554 0.068 0.000 2.904 16 T HA -0.095 4.245 4.350 -0.017 0.000 0.267 16 T C 1.784 176.487 174.700 0.006 0.000 1.059 16 T CA 1.791 63.914 62.100 0.039 0.000 1.137 16 T CB -0.215 68.678 68.868 0.043 0.000 0.879 16 T HN 0.615 nan 8.240 nan 0.000 0.467 17 E N 1.704 121.915 120.200 0.020 0.000 2.106 17 E HA 0.024 4.364 4.350 -0.017 0.000 0.192 17 E C 2.202 178.808 176.600 0.011 0.000 0.984 17 E CA 1.164 57.567 56.400 0.006 0.000 0.806 17 E CB -0.531 29.187 29.700 0.030 0.000 0.750 17 E HN 0.424 nan 8.360 nan 0.000 0.458 18 A N 0.795 123.637 122.820 0.037 0.000 1.908 18 A HA -0.097 4.214 4.320 -0.017 0.000 0.218 18 A C 2.446 180.052 177.584 0.037 0.000 1.181 18 A CA 2.162 54.231 52.037 0.053 0.000 0.627 18 A CB -1.043 18.011 19.000 0.090 0.000 0.818 18 A HN 0.379 nan 8.150 nan 0.000 0.445 19 A N -0.368 122.469 122.820 0.028 0.000 1.902 19 A HA -0.022 4.288 4.320 -0.017 0.000 0.217 19 A C 2.162 179.721 177.584 -0.041 0.000 1.181 19 A CA 1.458 53.499 52.037 0.008 0.000 0.623 19 A CB -0.586 18.422 19.000 0.013 0.000 0.818 19 A HN 0.475 nan 8.150 nan 0.000 0.443 20 L N -0.707 120.466 121.223 -0.085 0.000 2.083 20 L HA -0.209 4.121 4.340 -0.017 0.000 0.209 20 L C 2.556 179.380 176.870 -0.076 0.000 1.083 20 L CA 1.637 56.381 54.840 -0.161 0.000 0.752 20 L CB -0.416 41.473 42.059 -0.283 0.000 0.899 20 L HN 0.367 nan 8.230 nan 0.000 0.433 21 K N -0.420 119.963 120.400 -0.029 0.000 2.057 21 K HA -0.147 4.163 4.320 -0.017 0.000 0.207 21 K C 2.045 178.640 176.600 -0.008 0.000 1.049 21 K CA 1.240 57.524 56.287 -0.004 0.000 0.931 21 K CB -0.283 32.223 32.500 0.010 0.000 0.714 21 K HN 0.101 nan 8.250 nan 0.000 0.440 22 V N 1.917 121.825 119.914 -0.010 0.000 2.295 22 V HA -0.245 3.865 4.120 -0.017 0.000 0.246 22 V C 2.232 178.312 176.094 -0.023 0.000 1.049 22 V CA 1.650 63.942 62.300 -0.013 0.000 1.024 22 V CB -0.398 31.424 31.823 -0.002 0.000 0.648 22 V HN 0.278 nan 8.190 nan 0.000 0.447 23 L N -0.732 120.469 121.223 -0.037 0.000 2.093 23 L HA -0.137 4.193 4.340 -0.017 0.000 0.208 23 L C 2.776 179.631 176.870 -0.025 0.000 1.085 23 L CA 1.468 56.281 54.840 -0.046 0.000 0.755 23 L CB -0.520 41.494 42.059 -0.074 0.000 0.904 23 L HN 0.246 nan 8.230 nan 0.000 0.435 24 R N -0.208 120.288 120.500 -0.007 0.000 2.092 24 R HA -0.092 4.238 4.340 -0.017 0.000 0.231 24 R C 2.431 178.736 176.300 0.007 0.000 1.119 24 R CA 1.179 57.295 56.100 0.025 0.000 0.970 24 R CB -0.432 29.903 30.300 0.058 0.000 0.864 24 R HN 0.330 nan 8.270 nan 0.000 0.440 25 A N 1.469 124.287 122.820 -0.003 0.000 1.902 25 A HA -0.128 4.182 4.320 -0.017 0.000 0.217 25 A C 2.194 179.769 177.584 -0.015 0.000 1.181 25 A CA 1.145 53.177 52.037 -0.009 0.000 0.623 25 A CB -0.532 18.459 19.000 -0.014 0.000 0.818 25 A HN 0.160 nan 8.150 nan 0.000 0.443 26 L N -0.664 120.547 121.223 -0.020 0.000 2.046 26 L HA -0.200 4.130 4.340 -0.017 0.000 0.208 26 L C 2.430 179.282 176.870 -0.030 0.000 1.077 26 L CA 1.780 56.604 54.840 -0.026 0.000 0.747 26 L CB -0.617 41.422 42.059 -0.034 0.000 0.896 26 L HN 0.482 nan 8.230 nan 0.000 0.432 27 D N 0.079 120.462 120.400 -0.029 0.000 2.117 27 D HA -0.263 4.367 4.640 -0.017 0.000 0.197 27 D C 2.123 178.411 176.300 -0.020 0.000 0.987 27 D CA 1.367 55.349 54.000 -0.030 0.000 0.829 27 D CB 0.113 40.904 40.800 -0.015 0.000 0.961 27 D HN 0.261 nan 8.370 nan 0.000 0.460 28 E N -0.798 119.395 120.200 -0.012 0.000 2.106 28 E HA -0.133 4.208 4.350 -0.017 0.000 0.192 28 E C 1.921 178.513 176.600 -0.013 0.000 0.984 28 E CA 0.880 57.275 56.400 -0.010 0.000 0.806 28 E CB -0.129 29.569 29.700 -0.005 0.000 0.750 28 E HN 0.349 nan 8.360 nan 0.000 0.458 29 A N 0.687 123.497 122.820 -0.015 0.000 1.970 29 A HA -0.084 4.226 4.320 -0.017 0.000 0.216 29 A C 1.776 179.350 177.584 -0.017 0.000 1.170 29 A CA 1.014 53.042 52.037 -0.016 0.000 0.645 29 A CB 0.020 19.010 19.000 -0.016 0.000 0.816 29 A HN 0.148 nan 8.150 nan 0.000 0.447 30 E N -1.669 118.518 120.200 -0.021 0.000 2.490 30 E HA 0.211 4.551 4.350 -0.017 0.000 0.209 30 E C 0.782 177.367 176.600 -0.025 0.000 0.971 30 E CA 0.607 56.993 56.400 -0.023 0.000 0.988 30 E CB 0.275 29.958 29.700 -0.028 0.000 1.029 30 E HN 0.713 nan 8.360 nan 0.000 0.496 31 G N 2.564 111.348 108.800 -0.027 0.000 2.353 31 G HA2 -0.257 3.694 3.960 -0.017 0.000 0.294 31 G HA3 -0.257 3.694 3.960 -0.017 0.000 0.294 31 G C 0.662 175.539 174.900 -0.038 0.000 1.077 31 G CA 0.388 45.471 45.100 -0.027 0.000 1.098 31 G HN 0.256 nan 8.290 nan 0.000 0.511 32 L N -0.007 121.184 121.223 -0.053 0.000 2.492 32 L HA 0.297 4.628 4.340 -0.017 0.000 0.223 32 L C 2.302 179.118 176.870 -0.091 0.000 1.132 32 L CA 0.775 55.565 54.840 -0.084 0.000 0.850 32 L CB -0.085 41.904 42.059 -0.117 0.000 0.966 32 L HN 1.231 nan 8.230 nan 0.000 0.454 33 G N 1.366 110.130 108.800 -0.061 0.000 2.198 33 G HA2 -0.300 3.650 3.960 -0.017 0.000 0.257 33 G HA3 -0.300 3.650 3.960 -0.017 0.000 0.257 33 G C 0.029 174.894 174.900 -0.058 0.000 1.042 33 G CA 0.098 45.168 45.100 -0.050 0.000 0.791 33 G HN 0.208 nan 8.290 nan 0.000 0.502 34 L N 0.577 121.766 121.223 -0.057 0.000 2.559 34 L HA 0.548 4.878 4.340 -0.017 0.000 0.274 34 L C 0.499 177.385 176.870 0.026 0.000 1.205 34 L CA 0.850 55.676 54.840 -0.023 0.000 0.907 34 L CB 0.442 42.513 42.059 0.020 0.000 1.153 34 L HN 1.107 nan 8.230 nan 0.000 0.490 35 A N 5.570 128.422 122.820 0.054 0.000 2.398 35 A HA 0.713 5.023 4.320 -0.017 0.000 0.301 35 A C -1.554 176.110 177.584 0.133 0.000 1.041 35 A CA -0.437 51.618 52.037 0.031 0.000 0.711 35 A CB 0.973 19.979 19.000 0.010 0.000 1.240 35 A HN 0.865 nan 8.150 nan 0.000 0.420 36 Y N -0.519 119.793 120.300 0.021 0.000 2.588 36 Y HA 0.852 5.392 4.550 -0.017 0.000 0.343 36 Y C -0.748 175.156 175.900 0.007 0.000 1.065 36 Y CA -0.999 57.127 58.100 0.042 0.000 1.038 36 Y CB 1.334 39.819 38.460 0.041 0.000 1.297 36 Y HN 0.734 nan 8.280 nan 0.000 0.467 37 E N 1.447 121.754 120.200 0.179 0.000 2.331 37 E HA 0.653 4.993 4.350 -0.017 0.000 0.275 37 E C -2.056 174.450 176.600 -0.157 0.000 0.895 37 E CA -1.052 55.279 56.400 -0.115 0.000 0.753 37 E CB 2.689 32.212 29.700 -0.294 0.000 1.216 37 E HN 0.689 nan 8.360 nan 0.000 0.434 38 V N 4.355 124.116 119.914 -0.255 0.000 2.439 38 V HA 0.448 4.558 4.120 -0.017 0.000 0.282 38 V C -0.712 175.159 176.094 -0.372 0.000 1.039 38 V CA -0.202 62.026 62.300 -0.119 0.000 0.913 38 V CB 0.484 32.319 31.823 0.019 0.000 0.983 38 V HN 0.510 nan 8.190 nan 0.000 0.460 39 F N 5.183 125.211 119.950 0.130 0.000 2.546 39 F HA 0.608 5.125 4.527 -0.016 0.000 0.320 39 F C -2.201 173.712 175.800 0.188 0.000 1.076 39 F CA -2.607 55.474 58.000 0.135 0.000 0.928 39 F CB 2.141 41.209 39.000 0.113 0.000 1.189 39 F HN 0.293 nan 8.300 nan 0.000 0.465 40 P HA 0.249 nan 4.420 nan 0.000 0.281 40 P C -1.152 176.426 177.300 0.462 0.000 1.252 40 P CA 0.102 63.440 63.100 0.397 0.000 0.778 40 P CB 0.982 32.988 31.700 0.511 0.000 0.895 41 F N 1.977 122.025 119.950 0.163 0.000 2.641 41 F HA 0.550 5.067 4.527 -0.017 0.000 0.308 41 F C 0.398 176.196 175.800 -0.004 0.000 1.105 41 F CA 0.899 58.964 58.000 0.109 0.000 0.964 41 F CB 1.883 40.942 39.000 0.099 0.000 1.294 41 F HN 0.768 nan 8.300 nan 0.000 0.442 42 G N 2.678 110.990 108.800 -0.813 0.000 2.512 42 G HA2 -0.077 3.873 3.960 -0.017 0.000 0.240 42 G HA3 -0.077 3.873 3.960 -0.017 0.000 0.240 42 G C 0.889 175.370 174.900 -0.698 0.000 1.246 42 G CA 0.015 44.647 45.100 -0.780 0.000 0.919 42 G HN 1.713 nan 8.290 nan 0.000 0.577 43 G N -0.074 108.111 108.800 -1.024 0.000 2.469 43 G HA2 0.188 4.138 3.960 -0.017 0.000 0.219 43 G HA3 0.188 4.138 3.960 -0.017 0.000 0.219 43 G C 2.181 176.594 174.900 -0.813 0.000 1.150 43 G CA 3.250 47.188 45.100 -1.936 0.000 0.763 43 G HN 2.002 nan 8.290 nan 0.000 0.561 44 A N 1.034 123.635 122.820 -0.365 0.000 1.933 44 A HA 0.268 4.579 4.320 -0.017 0.000 0.218 44 A C 2.799 180.355 177.584 -0.047 0.000 1.175 44 A CA 2.233 54.235 52.037 -0.059 0.000 0.628 44 A CB -0.681 18.335 19.000 0.025 0.000 0.814 44 A HN 0.792 nan 8.150 nan 0.000 0.444 45 A N -0.120 122.672 122.820 -0.047 0.000 1.898 45 A HA -0.027 4.283 4.320 -0.017 0.000 0.216 45 A C 2.089 179.709 177.584 0.060 0.000 1.181 45 A CA 1.367 53.478 52.037 0.123 0.000 0.620 45 A CB -0.567 18.538 19.000 0.175 0.000 0.819 45 A HN 0.481 nan 8.150 nan 0.000 0.442 46 I N 0.053 120.564 120.570 -0.099 0.000 2.163 46 I HA -0.270 3.890 4.170 -0.017 0.000 0.243 46 I C 1.774 177.903 176.117 0.020 0.000 1.085 46 I CA 1.630 62.892 61.300 -0.062 0.000 1.347 46 I CB -0.385 37.489 38.000 -0.210 0.000 1.044 46 I HN 0.235 nan 8.210 nan 0.000 0.408 47 D N 0.653 121.077 120.400 0.040 0.000 2.178 47 D HA -0.090 4.541 4.640 -0.017 0.000 0.202 47 D C 2.134 178.391 176.300 -0.071 0.000 0.974 47 D CA 1.426 55.473 54.000 0.078 0.000 0.841 47 D CB -0.035 40.867 40.800 0.171 0.000 0.953 47 D HN 0.373 nan 8.370 nan 0.000 0.478 48 A N -0.872 121.813 122.820 -0.225 0.000 1.943 48 A HA 0.067 4.377 4.320 -0.017 0.000 0.213 48 A C 1.292 178.422 177.584 -0.755 0.000 1.181 48 A CA 0.625 52.304 52.037 -0.597 0.000 0.653 48 A CB -0.090 18.337 19.000 -0.956 0.000 0.833 48 A HN 0.158 nan 8.150 nan 0.000 0.451 49 F N -2.219 117.750 119.950 0.032 0.000 2.831 49 F HA 0.409 4.926 4.527 -0.017 0.000 0.334 49 F C 1.688 177.499 175.800 0.019 0.000 1.071 49 F CA 0.087 58.102 58.000 0.026 0.000 1.172 49 F CB 0.511 39.527 39.000 0.026 0.000 1.054 49 F HN 0.332 nan 8.300 nan 0.000 0.572 50 G N 1.011 109.894 108.800 0.139 0.000 2.175 50 G HA2 -0.207 3.743 3.960 -0.017 0.000 0.244 50 G HA3 -0.207 3.743 3.960 -0.017 0.000 0.244 50 G C -0.015 174.934 174.900 0.082 0.000 0.982 50 G CA 0.178 45.336 45.100 0.096 0.000 0.641 50 G HN 0.482 nan 8.290 nan 0.000 0.527 51 E N -1.241 119.015 120.200 0.093 0.000 2.390 51 E HA 0.595 4.935 4.350 -0.017 0.000 0.280 51 E C -2.668 173.947 176.600 0.025 0.000 0.992 51 E CA -1.628 54.801 56.400 0.050 0.000 0.790 51 E CB 2.072 31.807 29.700 0.057 0.000 1.248 51 E HN -0.003 nan 8.360 nan 0.000 0.447 52 P HA 0.053 nan 4.420 nan 0.000 0.235 52 P C -0.185 177.084 177.300 -0.052 0.000 1.177 52 P CA 0.510 63.496 63.100 -0.191 0.000 0.785 52 P CB 0.142 31.638 31.700 -0.340 0.000 0.885 53 F N 2.551 122.471 119.950 -0.049 0.000 2.710 53 F HA 0.479 4.995 4.527 -0.017 0.000 0.345 53 F C -2.820 173.018 175.800 0.064 0.000 1.362 53 F CA -3.824 54.254 58.000 0.129 0.000 1.175 53 F CB 0.625 39.744 39.000 0.199 0.000 1.561 53 F HN -0.225 nan 8.300 nan 0.000 0.593 54 P HA 0.103 nan 4.420 nan 0.000 0.274 54 P C 0.891 178.004 177.300 -0.311 0.000 1.246 54 P CA 0.068 63.068 63.100 -0.168 0.000 0.795 54 P CB 1.142 32.710 31.700 -0.221 0.000 1.006 55 E N 0.978 121.009 120.200 -0.282 0.000 2.065 55 E HA -0.176 4.164 4.350 -0.017 0.000 0.201 55 E C -0.766 175.680 176.600 -0.256 0.000 1.016 55 E CA 2.294 58.530 56.400 -0.274 0.000 0.818 55 E CB -1.988 27.599 29.700 -0.187 0.000 0.749 55 E HN 0.374 nan 8.360 nan 0.000 0.453 56 P HA -0.111 nan 4.420 nan 0.000 0.216 56 P C 1.338 178.547 177.300 -0.151 0.000 1.153 56 P CA 2.047 65.078 63.100 -0.115 0.000 0.858 56 P CB -0.116 31.531 31.700 -0.089 0.000 0.789 57 T N -0.979 113.476 114.554 -0.165 0.000 2.812 57 T HA -0.068 4.272 4.350 -0.017 0.000 0.264 57 T C 1.734 176.232 174.700 -0.337 0.000 1.042 57 T CA 1.009 62.978 62.100 -0.219 0.000 1.140 57 T CB -0.446 68.502 68.868 0.133 0.000 0.870 57 T HN 0.175 nan 8.240 nan 0.000 0.445 58 R N 1.217 121.420 120.500 -0.496 0.000 2.081 58 R HA -0.034 4.296 4.340 -0.017 0.000 0.235 58 R C 2.539 178.667 176.300 -0.286 0.000 1.131 58 R CA 1.154 56.931 56.100 -0.538 0.000 0.960 58 R CB -0.261 29.579 30.300 -0.767 0.000 0.856 58 R HN 0.325 nan 8.270 nan 0.000 0.436 59 K N 0.578 120.808 120.400 -0.283 0.000 2.002 59 K HA -0.126 4.184 4.320 -0.017 0.000 0.209 59 K C 2.214 178.660 176.600 -0.257 0.000 1.048 59 K CA 1.695 57.860 56.287 -0.203 0.000 0.930 59 K CB -0.361 32.053 32.500 -0.144 0.000 0.714 59 K HN 0.272 nan 8.250 nan 0.000 0.438 60 G N 0.481 108.970 108.800 -0.517 0.000 2.422 60 G HA2 -0.200 3.750 3.960 -0.017 0.000 0.218 60 G HA3 -0.200 3.750 3.960 -0.017 0.000 0.218 60 G C 1.484 176.076 174.900 -0.513 0.000 1.146 60 G CA 0.844 45.453 45.100 -0.818 0.000 0.769 60 G HN 0.214 nan 8.290 nan 0.000 0.547 61 V N 0.423 120.085 119.914 -0.419 0.000 2.307 61 V HA -0.114 3.996 4.120 -0.017 0.000 0.245 61 V C 2.652 178.691 176.094 -0.091 0.000 1.045 61 V CA 2.201 64.392 62.300 -0.182 0.000 1.024 61 V CB -0.254 31.528 31.823 -0.067 0.000 0.651 61 V HN 0.399 nan 8.190 nan 0.000 0.449 62 E N 0.523 120.670 120.200 -0.088 0.000 2.085 62 E HA -0.242 4.098 4.350 -0.017 0.000 0.194 62 E C 2.147 178.732 176.600 -0.026 0.000 0.994 62 E CA 1.775 58.148 56.400 -0.045 0.000 0.801 62 E CB -0.166 29.502 29.700 -0.054 0.000 0.743 62 E HN 0.667 nan 8.360 nan 0.000 0.453 63 E N -0.358 119.822 120.200 -0.033 0.000 2.285 63 E HA 0.067 4.407 4.350 -0.017 0.000 0.194 63 E C 0.365 176.993 176.600 0.047 0.000 0.997 63 E CA 0.304 56.709 56.400 0.009 0.000 0.845 63 E CB 0.163 29.872 29.700 0.015 0.000 0.782 63 E HN 0.236 nan 8.360 nan 0.000 0.491 64 A N 1.037 123.887 122.820 0.050 0.000 2.272 64 A HA 0.129 4.439 4.320 -0.017 0.000 0.275 64 A C 0.600 178.246 177.584 0.103 0.000 1.096 64 A CA -0.300 51.800 52.037 0.105 0.000 0.822 64 A CB 0.516 19.594 19.000 0.131 0.000 1.088 64 A HN 0.036 nan 8.150 nan 0.000 0.495 65 E N -0.667 119.632 120.200 0.166 0.000 2.415 65 E HA 0.379 4.719 4.350 -0.017 0.000 0.197 65 E C 0.235 176.877 176.600 0.069 0.000 1.007 65 E CA 0.675 57.155 56.400 0.132 0.000 0.890 65 E CB 0.437 30.296 29.700 0.266 0.000 0.891 65 E HN 0.731 nan 8.360 nan 0.000 0.496 66 A N 0.299 123.226 122.820 0.179 0.000 2.612 66 A HA 0.537 4.847 4.320 -0.017 0.000 0.293 66 A C -1.373 176.337 177.584 0.211 0.000 1.075 66 A CA -0.635 51.524 52.037 0.204 0.000 0.680 66 A CB 1.577 20.727 19.000 0.251 0.000 1.279 66 A HN -0.035 nan 8.150 nan 0.000 0.411 67 V N 1.229 121.268 119.914 0.208 0.000 2.417 67 V HA 0.516 4.626 4.120 -0.017 0.000 0.291 67 V C -0.755 175.463 176.094 0.207 0.000 1.024 67 V CA -0.407 61.971 62.300 0.129 0.000 0.861 67 V CB 1.330 33.133 31.823 -0.034 0.000 0.985 67 V HN 0.779 nan 8.190 nan 0.000 0.436 68 L N 6.607 127.919 121.223 0.148 0.000 2.277 68 L HA 0.630 4.960 4.340 -0.017 0.000 0.284 68 L C -0.777 176.130 176.870 0.063 0.000 1.028 68 L CA -0.072 54.844 54.840 0.126 0.000 0.835 68 L CB 1.110 43.214 42.059 0.074 0.000 1.215 68 L HN 0.635 nan 8.230 nan 0.000 0.425 69 L N 5.017 126.263 121.223 0.039 0.000 2.329 69 L HA 0.905 5.235 4.340 -0.017 0.000 0.279 69 L C 0.446 177.334 176.870 0.029 0.000 1.014 69 L CA 0.142 54.979 54.840 -0.005 0.000 0.814 69 L CB 1.592 43.599 42.059 -0.088 0.000 1.257 69 L HN 0.596 nan 8.230 nan 0.000 0.424 70 G N 2.007 110.845 108.800 0.063 0.000 2.531 70 G HA2 0.443 4.393 3.960 -0.017 0.000 0.253 70 G HA3 0.443 4.393 3.960 -0.017 0.000 0.253 70 G C -0.570 174.366 174.900 0.061 0.000 1.439 70 G CA -0.042 45.100 45.100 0.069 0.000 1.056 70 G HN 0.862 nan 8.290 nan 0.000 0.555 71 S N -1.830 113.919 115.700 0.082 0.000 2.603 71 S HA 0.567 5.027 4.470 -0.017 0.000 0.268 71 S C -0.442 174.218 174.600 0.100 0.000 1.317 71 S CA -0.549 57.701 58.200 0.084 0.000 1.012 71 S CB 1.666 64.963 63.200 0.161 0.000 0.926 71 S HN 0.550 nan 8.310 nan 0.000 0.539 72 V N 1.295 121.256 119.914 0.078 0.000 2.841 72 V HA 0.845 4.955 4.120 -0.017 0.000 0.310 72 V C 0.596 176.702 176.094 0.020 0.000 1.090 72 V CA 0.451 62.768 62.300 0.029 0.000 0.930 72 V CB 1.153 32.995 31.823 0.031 0.000 1.014 72 V HN 1.647 nan 8.190 nan 0.000 0.425 73 G N 2.416 111.206 108.800 -0.016 0.000 2.631 73 G HA2 0.517 4.467 3.960 -0.017 0.000 0.504 73 G HA3 0.517 4.467 3.960 -0.017 0.000 0.504 73 G C -0.040 175.059 174.900 0.331 0.000 1.306 73 G CA -0.207 44.957 45.100 0.106 0.000 0.897 73 G HN 2.357 nan 8.290 nan 0.000 0.520 74 G N -2.051 106.969 108.800 0.367 0.000 2.356 74 G HA2 0.705 4.655 3.960 -0.017 0.000 0.300 74 G HA3 0.705 4.655 3.960 -0.017 0.000 0.300 74 G C -1.649 173.346 174.900 0.159 0.000 1.331 74 G CA 0.755 46.017 45.100 0.270 0.000 0.905 74 G HN 1.001 nan 8.290 nan 0.000 0.587 75 P HA -0.149 nan 4.420 nan 0.000 0.215 75 P C 1.592 178.791 177.300 -0.167 0.000 1.153 75 P CA 1.667 64.731 63.100 -0.060 0.000 0.853 75 P CB 0.090 31.743 31.700 -0.079 0.000 0.788 76 K N -0.811 119.353 120.400 -0.394 0.000 2.113 76 K HA -0.156 4.154 4.320 -0.017 0.000 0.208 76 K C 1.573 177.781 176.600 -0.653 0.000 1.047 76 K CA 1.502 57.368 56.287 -0.701 0.000 0.928 76 K CB -0.275 31.452 32.500 -1.288 0.000 0.716 76 K HN 0.202 nan 8.250 nan 0.000 0.446 77 W N 1.073 122.365 121.300 -0.014 0.000 3.220 77 W HA 0.082 4.732 4.660 -0.017 0.000 0.328 77 W C 0.628 177.137 176.519 -0.018 0.000 1.205 77 W CA -0.363 56.971 57.345 -0.018 0.000 1.773 77 W CB 0.184 29.629 29.460 -0.025 0.000 1.086 77 W HN 0.130 nan 8.180 nan 0.000 0.622 78 D N 0.366 120.830 120.400 0.106 0.000 2.218 78 D HA -0.089 4.541 4.640 -0.017 0.000 0.204 78 D C 2.205 178.532 176.300 0.046 0.000 0.976 78 D CA 1.131 55.173 54.000 0.071 0.000 0.853 78 D CB -0.355 40.465 40.800 0.032 0.000 0.939 78 D HN 0.126 nan 8.370 nan 0.000 0.481 79 G N 0.065 108.882 108.800 0.029 0.000 3.262 79 G HA2 0.225 4.175 3.960 -0.017 0.000 0.228 79 G HA3 0.225 4.175 3.960 -0.017 0.000 0.228 79 G C 0.536 175.459 174.900 0.037 0.000 1.197 79 G CA -0.221 44.892 45.100 0.020 0.000 0.819 79 G HN 0.130 nan 8.290 nan 0.000 0.531 80 L N 0.409 121.671 121.223 0.065 0.000 2.399 80 L HA 0.368 4.698 4.340 -0.017 0.000 0.265 80 L C -1.870 175.028 176.870 0.046 0.000 1.089 80 L CA -2.067 52.815 54.840 0.070 0.000 0.802 80 L CB 1.250 43.378 42.059 0.115 0.000 1.180 80 L HN -0.081 nan 8.230 nan 0.000 0.454 81 P HA 0.094 nan 4.420 nan 0.000 0.266 81 P C 0.244 177.559 177.300 0.024 0.000 1.195 81 P CA -0.146 62.970 63.100 0.026 0.000 0.768 81 P CB 0.508 32.222 31.700 0.025 0.000 0.838 82 R N 2.069 122.579 120.500 0.017 0.000 2.117 82 R HA -0.224 4.106 4.340 -0.017 0.000 0.243 82 R C 1.982 178.290 176.300 0.013 0.000 1.143 82 R CA 1.635 57.742 56.100 0.012 0.000 0.968 82 R CB -0.251 30.054 30.300 0.007 0.000 0.863 82 R HN 0.545 nan 8.270 nan 0.000 0.444 83 K N 1.524 121.934 120.400 0.016 0.000 2.103 83 K HA -0.158 4.152 4.320 -0.017 0.000 0.207 83 K C 1.582 178.192 176.600 0.018 0.000 1.048 83 K CA 1.651 57.950 56.287 0.019 0.000 0.930 83 K CB -0.001 32.511 32.500 0.020 0.000 0.716 83 K HN 0.370 nan 8.250 nan 0.000 0.444 84 I N -0.534 120.045 120.570 0.015 0.000 3.936 84 I HA 0.185 4.345 4.170 -0.017 0.000 0.330 84 I C 0.142 176.246 176.117 -0.020 0.000 1.509 84 I CA -0.986 60.317 61.300 0.004 0.000 1.126 84 I CB 0.160 38.171 38.000 0.018 0.000 1.115 84 I HN -0.063 nan 8.210 nan 0.000 0.424 85 R N 1.238 121.729 120.500 -0.014 0.000 2.738 85 R HA 0.346 4.676 4.340 -0.017 0.000 0.268 85 R C -1.934 174.300 176.300 -0.110 0.000 1.062 85 R CA -0.952 55.133 56.100 -0.026 0.000 1.158 85 R CB -0.198 30.105 30.300 0.005 0.000 1.046 85 R HN -0.101 nan 8.270 nan 0.000 0.493 86 P HA -0.143 nan 4.420 nan 0.000 0.216 86 P C 0.397 177.582 177.300 -0.191 0.000 1.150 86 P CA 1.355 64.291 63.100 -0.274 0.000 0.837 86 P CB 0.175 31.721 31.700 -0.256 0.000 0.786 87 E N -1.408 118.738 120.200 -0.090 0.000 2.106 87 E HA -0.102 4.238 4.350 -0.017 0.000 0.192 87 E C 2.001 178.573 176.600 -0.046 0.000 0.984 87 E CA 1.364 57.733 56.400 -0.052 0.000 0.806 87 E CB -1.492 28.195 29.700 -0.022 0.000 0.750 87 E HN 0.172 nan 8.360 nan 0.000 0.458 88 T N 0.008 114.537 114.554 -0.043 0.000 2.788 88 T HA -0.131 4.209 4.350 -0.017 0.000 0.268 88 T C 1.920 176.603 174.700 -0.029 0.000 1.044 88 T CA 1.324 63.412 62.100 -0.021 0.000 1.139 88 T CB -0.708 68.156 68.868 -0.006 0.000 0.867 88 T HN 0.419 nan 8.240 nan 0.000 0.454 89 G N 1.308 110.050 108.800 -0.097 0.000 2.469 89 G HA2 -0.190 3.761 3.960 -0.017 0.000 0.219 89 G HA3 -0.190 3.761 3.960 -0.017 0.000 0.219 89 G C 1.476 176.342 174.900 -0.056 0.000 1.150 89 G CA 0.675 45.688 45.100 -0.144 0.000 0.763 89 G HN 0.447 nan 8.290 nan 0.000 0.561 90 L N -0.194 121.017 121.223 -0.021 0.000 2.056 90 L HA 0.057 4.387 4.340 -0.017 0.000 0.207 90 L C 2.909 179.764 176.870 -0.024 0.000 1.078 90 L CA 0.452 55.333 54.840 0.069 0.000 0.749 90 L CB -0.335 41.749 42.059 0.043 0.000 0.901 90 L HN 0.185 nan 8.230 nan 0.000 0.433 91 L N -1.170 120.043 121.223 -0.017 0.000 2.046 91 L HA -0.194 4.136 4.340 -0.017 0.000 0.208 91 L C 2.700 179.558 176.870 -0.020 0.000 1.077 91 L CA 1.110 55.946 54.840 -0.006 0.000 0.747 91 L CB -0.641 41.432 42.059 0.023 0.000 0.896 91 L HN 0.189 nan 8.230 nan 0.000 0.432 92 S N 0.258 115.954 115.700 -0.006 0.000 2.368 92 S HA -0.185 4.275 4.470 -0.017 0.000 0.225 92 S C 1.858 176.412 174.600 -0.076 0.000 1.030 92 S CA 1.391 59.624 58.200 0.054 0.000 0.999 92 S CB -0.398 62.948 63.200 0.243 0.000 0.844 92 S HN 0.267 nan 8.310 nan 0.000 0.459 93 L N 2.428 123.375 121.223 -0.460 0.000 1.989 93 L HA -0.128 4.202 4.340 -0.017 0.000 0.211 93 L C 2.289 179.000 176.870 -0.266 0.000 1.071 93 L CA 1.828 56.259 54.840 -0.682 0.000 0.749 93 L CB -0.502 41.096 42.059 -0.768 0.000 0.890 93 L HN 0.134 nan 8.230 nan 0.000 0.431 94 R N -0.388 120.001 120.500 -0.185 0.000 2.075 94 R HA -0.173 4.157 4.340 -0.017 0.000 0.232 94 R C 2.401 178.653 176.300 -0.080 0.000 1.126 94 R CA 1.571 57.592 56.100 -0.131 0.000 0.963 94 R CB -0.476 29.762 30.300 -0.103 0.000 0.858 94 R HN 0.432 nan 8.270 nan 0.000 0.435 95 K N 1.072 121.443 120.400 -0.048 0.000 2.097 95 K HA -0.114 4.196 4.320 -0.017 0.000 0.205 95 K C 2.257 178.860 176.600 0.005 0.000 1.050 95 K CA 1.621 57.894 56.287 -0.024 0.000 0.938 95 K CB 0.004 32.498 32.500 -0.010 0.000 0.718 95 K HN 0.155 nan 8.250 nan 0.000 0.442 96 S N 0.367 116.093 115.700 0.042 0.000 2.400 96 S HA -0.147 4.313 4.470 -0.017 0.000 0.232 96 S C 1.531 176.154 174.600 0.038 0.000 1.025 96 S CA 0.918 59.170 58.200 0.087 0.000 0.993 96 S CB -0.101 63.242 63.200 0.238 0.000 0.808 96 S HN 0.295 nan 8.310 nan 0.000 0.478 97 Q N 0.873 120.670 119.800 -0.005 0.000 2.319 97 Q HA 0.217 4.547 4.340 -0.017 0.000 0.202 97 Q C -0.129 175.852 176.000 -0.032 0.000 0.896 97 Q CA 0.310 56.094 55.803 -0.032 0.000 0.942 97 Q CB -0.605 28.085 28.738 -0.081 0.000 1.083 97 Q HN 0.626 nan 8.270 nan 0.000 0.510 98 D N 0.979 121.374 120.400 -0.008 0.000 2.755 98 D HA -0.196 4.434 4.640 -0.017 0.000 0.227 98 D C -0.958 175.347 176.300 0.010 0.000 1.211 98 D CA 0.361 54.380 54.000 0.032 0.000 0.663 98 D CB -1.011 39.843 40.800 0.090 0.000 0.983 98 D HN 0.269 nan 8.370 nan 0.000 0.407 99 L N 1.523 122.689 121.223 -0.095 0.000 2.385 99 L HA 0.150 4.480 4.340 -0.017 0.000 0.281 99 L C 1.515 178.296 176.870 -0.149 0.000 1.106 99 L CA -0.531 54.166 54.840 -0.238 0.000 0.856 99 L CB 0.040 41.959 42.059 -0.234 0.000 1.186 99 L HN 0.198 nan 8.230 nan 0.000 0.453 100 F N 0.787 120.711 119.950 -0.043 0.000 2.682 100 F HA 0.608 5.125 4.527 -0.016 0.000 0.308 100 F C 0.642 176.445 175.800 0.004 0.000 1.093 100 F CA -0.806 57.189 58.000 -0.010 0.000 1.244 100 F CB 0.068 39.069 39.000 0.002 0.000 1.052 100 F HN 0.262 nan 8.300 nan 0.000 0.573 101 A N 1.556 124.272 122.820 -0.173 0.000 2.343 101 A HA 0.430 4.740 4.320 -0.017 0.000 0.308 101 A C -1.182 176.320 177.584 -0.136 0.000 1.092 101 A CA -0.655 51.347 52.037 -0.058 0.000 0.751 101 A CB 0.611 19.561 19.000 -0.084 0.000 1.203 101 A HN 0.345 nan 8.150 nan 0.000 0.452 102 N N 2.606 121.268 118.700 -0.063 0.000 2.419 102 N HA 0.524 5.254 4.740 -0.017 0.000 0.277 102 N C -1.745 173.710 175.510 -0.091 0.000 1.006 102 N CA -0.400 52.595 53.050 -0.092 0.000 0.923 102 N CB 0.888 39.352 38.487 -0.037 0.000 1.140 102 N HN 0.435 nan 8.380 nan 0.000 0.488 103 L N 4.164 125.306 121.223 -0.135 0.000 2.319 103 L HA 0.471 4.801 4.340 -0.017 0.000 0.281 103 L C -0.130 176.696 176.870 -0.074 0.000 1.005 103 L CA -0.409 54.355 54.840 -0.127 0.000 0.828 103 L CB 1.337 43.250 42.059 -0.244 0.000 1.227 103 L HN 0.386 nan 8.230 nan 0.000 0.415 104 R N 4.400 124.877 120.500 -0.038 0.000 2.435 104 R HA 0.487 4.817 4.340 -0.017 0.000 0.308 104 R C -2.734 173.567 176.300 0.003 0.000 0.975 104 R CA -1.618 54.476 56.100 -0.011 0.000 0.867 104 R CB 1.999 32.294 30.300 -0.008 0.000 1.171 104 R HN 0.263 nan 8.270 nan 0.000 0.470 105 P HA 0.322 nan 4.420 nan 0.000 0.288 105 P C -1.074 176.230 177.300 0.007 0.000 1.267 105 P CA -0.585 62.528 63.100 0.023 0.000 0.815 105 P CB 1.713 33.444 31.700 0.052 0.000 0.989 106 A N 3.174 125.987 122.820 -0.013 0.000 2.291 106 A HA 0.580 4.890 4.320 -0.017 0.000 0.311 106 A C -0.320 177.216 177.584 -0.079 0.000 1.224 106 A CA -0.636 51.384 52.037 -0.028 0.000 0.821 106 A CB 0.686 19.677 19.000 -0.015 0.000 1.172 106 A HN 0.502 nan 8.150 nan 0.000 0.494 107 K N 2.457 122.762 120.400 -0.159 0.000 2.397 107 K HA 0.579 4.889 4.320 -0.017 0.000 0.253 107 K C -1.509 174.879 176.600 -0.353 0.000 0.932 107 K CA -0.508 55.583 56.287 -0.327 0.000 0.795 107 K CB 1.935 34.081 32.500 -0.590 0.000 1.159 107 K HN 0.391 nan 8.250 nan 0.000 0.424 108 V N 5.972 125.739 119.914 -0.245 0.000 2.339 108 V HA 0.239 4.349 4.120 -0.017 0.000 0.261 108 V C -0.308 175.698 176.094 -0.148 0.000 1.058 108 V CA -0.531 61.693 62.300 -0.128 0.000 0.897 108 V CB -0.501 31.297 31.823 -0.042 0.000 1.052 108 V HN 0.611 nan 8.190 nan 0.000 0.480 109 F N 6.403 126.370 119.950 0.029 0.000 2.553 109 F HA 0.260 4.777 4.527 -0.016 0.000 0.356 109 F C -1.556 174.254 175.800 0.018 0.000 1.142 109 F CA -1.908 56.107 58.000 0.025 0.000 1.322 109 F CB -0.065 38.953 39.000 0.031 0.000 1.126 109 F HN 0.315 nan 8.300 nan 0.000 0.599 110 P HA 0.132 nan 4.420 nan 0.000 0.264 110 P C 0.621 177.984 177.300 0.104 0.000 1.193 110 P CA 1.023 64.191 63.100 0.113 0.000 0.763 110 P CB 0.514 32.267 31.700 0.088 0.000 0.810 111 G N 2.424 111.268 108.800 0.073 0.000 2.176 111 G HA2 -0.254 3.696 3.960 -0.017 0.000 0.253 111 G HA3 -0.254 3.696 3.960 -0.017 0.000 0.253 111 G C 0.465 175.406 174.900 0.068 0.000 0.979 111 G CA -0.007 45.129 45.100 0.059 0.000 0.641 111 G HN 0.511 nan 8.290 nan 0.000 0.530 112 L N 0.064 121.343 121.223 0.094 0.000 2.769 112 L HA 0.296 4.627 4.340 -0.017 0.000 0.240 112 L C 1.997 178.910 176.870 0.071 0.000 1.163 112 L CA 0.141 55.038 54.840 0.095 0.000 0.962 112 L CB 0.285 42.435 42.059 0.151 0.000 1.258 112 L HN 0.098 nan 8.230 nan 0.000 0.513 113 E N 1.096 121.328 120.200 0.054 0.000 2.160 113 E HA -0.241 4.099 4.350 -0.017 0.000 0.195 113 E C 2.119 178.739 176.600 0.033 0.000 0.991 113 E CA 1.229 57.651 56.400 0.037 0.000 0.810 113 E CB -0.164 29.553 29.700 0.028 0.000 0.742 113 E HN 0.473 nan 8.360 nan 0.000 0.466 114 R N 0.868 121.388 120.500 0.034 0.000 2.139 114 R HA -0.168 4.162 4.340 -0.017 0.000 0.243 114 R C 1.945 178.262 176.300 0.029 0.000 1.145 114 R CA 1.608 57.725 56.100 0.028 0.000 0.976 114 R CB -0.826 29.490 30.300 0.028 0.000 0.866 114 R HN 0.217 nan 8.270 nan 0.000 0.449 115 L N 1.089 122.333 121.223 0.036 0.000 2.217 115 L HA 0.021 4.351 4.340 -0.017 0.000 0.211 115 L C 1.478 178.366 176.870 0.029 0.000 1.107 115 L CA 0.263 55.123 54.840 0.034 0.000 0.783 115 L CB -0.358 41.728 42.059 0.045 0.000 0.919 115 L HN 0.175 nan 8.230 nan 0.000 0.442 116 S N 0.230 115.947 115.700 0.029 0.000 2.572 116 S HA 0.095 4.555 4.470 -0.017 0.000 0.279 116 S C -1.159 173.452 174.600 0.019 0.000 1.341 116 S CA -1.211 57.003 58.200 0.024 0.000 1.043 116 S CB 0.808 64.020 63.200 0.021 0.000 0.887 116 S HN 0.014 nan 8.310 nan 0.000 0.516 117 P HA 0.066 nan 4.420 nan 0.000 0.229 117 P C -0.077 177.232 177.300 0.014 0.000 1.160 117 P CA 0.597 63.705 63.100 0.014 0.000 0.777 117 P CB -0.025 31.683 31.700 0.013 0.000 0.814 118 L N 0.082 121.314 121.223 0.016 0.000 2.399 118 L HA 0.237 4.567 4.340 -0.017 0.000 0.266 118 L C 1.033 177.912 176.870 0.016 0.000 1.114 118 L CA -0.965 53.885 54.840 0.017 0.000 0.804 118 L CB 0.392 42.462 42.059 0.019 0.000 1.146 118 L HN -0.199 nan 8.230 nan 0.000 0.451 119 K N 1.180 121.588 120.400 0.014 0.000 2.518 119 K HA -0.101 4.210 4.320 -0.017 0.000 0.276 119 K C 0.686 177.294 176.600 0.013 0.000 0.974 119 K CA -0.067 56.228 56.287 0.013 0.000 0.986 119 K CB 0.603 33.110 32.500 0.011 0.000 0.901 119 K HN 0.458 nan 8.250 nan 0.000 0.497 120 E N 1.920 122.128 120.200 0.013 0.000 2.097 120 E HA -0.235 4.105 4.350 -0.017 0.000 0.196 120 E C 1.724 178.330 176.600 0.011 0.000 1.000 120 E CA 1.682 58.090 56.400 0.014 0.000 0.804 120 E CB 0.064 29.773 29.700 0.014 0.000 0.740 120 E HN 0.608 nan 8.360 nan 0.000 0.454 121 E N 0.313 120.517 120.200 0.008 0.000 2.268 121 E HA -0.151 4.189 4.350 -0.017 0.000 0.195 121 E C 1.988 178.590 176.600 0.003 0.000 0.995 121 E CA 0.896 57.298 56.400 0.004 0.000 0.836 121 E CB -0.229 29.472 29.700 0.003 0.000 0.763 121 E HN 0.377 nan 8.360 nan 0.000 0.491 122 I N 1.194 121.769 120.570 0.007 0.000 2.585 122 I HA -0.034 4.126 4.170 -0.017 0.000 0.254 122 I C 2.616 178.740 176.117 0.012 0.000 1.129 122 I CA 0.739 62.046 61.300 0.010 0.000 1.455 122 I CB -0.300 37.710 38.000 0.017 0.000 1.111 122 I HN 0.075 nan 8.210 nan 0.000 0.433 123 A N 0.917 123.744 122.820 0.012 0.000 1.969 123 A HA -0.140 4.170 4.320 -0.017 0.000 0.218 123 A C 1.646 179.232 177.584 0.003 0.000 1.169 123 A CA 0.421 52.464 52.037 0.011 0.000 0.635 123 A CB -0.459 18.550 19.000 0.014 0.000 0.810 123 A HN 0.308 nan 8.150 nan 0.000 0.445 124 R N -0.384 120.118 120.500 0.003 0.000 2.484 124 R HA 0.282 4.612 4.340 -0.017 0.000 0.293 124 R C 1.145 177.439 176.300 -0.010 0.000 1.023 124 R CA 0.976 57.076 56.100 0.001 0.000 1.037 124 R CB -0.210 30.091 30.300 0.002 0.000 0.951 124 R HN 0.772 nan 8.270 nan 0.000 0.418 125 G N 2.512 111.302 108.800 -0.016 0.000 2.179 125 G HA2 -0.268 3.682 3.960 -0.017 0.000 0.260 125 G HA3 -0.268 3.682 3.960 -0.017 0.000 0.260 125 G C 0.065 174.945 174.900 -0.035 0.000 0.977 125 G CA 0.075 45.160 45.100 -0.026 0.000 0.641 125 G HN 0.558 nan 8.290 nan 0.000 0.533 126 V N 1.437 121.332 119.914 -0.032 0.000 2.540 126 V HA 0.427 4.537 4.120 -0.017 0.000 0.297 126 V C 0.286 176.342 176.094 -0.063 0.000 1.024 126 V CA 1.134 63.419 62.300 -0.025 0.000 1.105 126 V CB 1.513 33.329 31.823 -0.013 0.000 0.938 126 V HN 0.428 nan 8.190 nan 0.000 0.482 127 D N 4.286 124.666 120.400 -0.034 0.000 2.445 127 D HA 0.237 4.867 4.640 -0.017 0.000 0.236 127 D C -1.294 175.009 176.300 0.006 0.000 1.315 127 D CA -0.138 53.831 54.000 -0.051 0.000 0.924 127 D CB 1.570 42.333 40.800 -0.063 0.000 1.447 127 D HN 0.341 nan 8.370 nan 0.000 0.532 128 V N 3.606 123.529 119.914 0.015 0.000 2.680 128 V HA 0.722 4.832 4.120 -0.017 0.000 0.309 128 V C -1.418 174.692 176.094 0.026 0.000 1.052 128 V CA -0.807 61.524 62.300 0.051 0.000 0.908 128 V CB 1.906 33.774 31.823 0.076 0.000 1.001 128 V HN 0.416 nan 8.190 nan 0.000 0.431 129 L N 7.608 128.851 121.223 0.034 0.000 2.316 129 L HA 0.629 4.959 4.340 -0.017 0.000 0.280 129 L C -0.820 176.046 176.870 -0.007 0.000 1.006 129 L CA -0.147 54.705 54.840 0.019 0.000 0.836 129 L CB 1.346 43.430 42.059 0.042 0.000 1.221 129 L HN 0.528 nan 8.230 nan 0.000 0.418 130 I N 6.373 126.930 120.570 -0.022 0.000 2.342 130 I HA 0.298 4.458 4.170 -0.017 0.000 0.291 130 I C -0.217 175.880 176.117 -0.033 0.000 1.010 130 I CA -0.465 60.814 61.300 -0.035 0.000 1.308 130 I CB 1.419 39.397 38.000 -0.038 0.000 1.400 130 I HN 0.262 nan 8.210 nan 0.000 0.488 131 V N 7.756 127.652 119.914 -0.030 0.000 2.357 131 V HA 0.425 4.535 4.120 -0.017 0.000 0.284 131 V C 0.336 176.441 176.094 0.017 0.000 1.018 131 V CA -0.773 61.512 62.300 -0.024 0.000 0.841 131 V CB 1.708 33.508 31.823 -0.038 0.000 0.991 131 V HN 0.687 nan 8.190 nan 0.000 0.437 132 R N 3.888 124.405 120.500 0.029 0.000 2.393 132 R HA 0.338 4.668 4.340 -0.017 0.000 0.315 132 R C -0.123 176.246 176.300 0.114 0.000 0.952 132 R CA -0.594 55.544 56.100 0.063 0.000 0.842 132 R CB 1.227 31.558 30.300 0.051 0.000 1.163 132 R HN 0.714 nan 8.270 nan 0.000 0.450 133 E N 4.170 124.476 120.200 0.178 0.000 2.465 133 E HA -0.082 4.258 4.350 -0.017 0.000 0.260 133 E C -0.155 176.597 176.600 0.252 0.000 0.980 133 E CA 0.194 56.748 56.400 0.257 0.000 0.927 133 E CB 1.042 30.949 29.700 0.346 0.000 0.934 133 E HN 0.575 nan 8.360 nan 0.000 0.459 134 L N 4.236 125.612 121.223 0.254 0.000 2.609 134 L HA 0.048 4.378 4.340 -0.017 0.000 0.230 134 L C 1.753 178.789 176.870 0.277 0.000 1.087 134 L CA 1.253 56.233 54.840 0.233 0.000 0.874 134 L CB 0.174 42.312 42.059 0.132 0.000 1.114 134 L HN 0.662 nan 8.230 nan 0.000 0.488 135 T N -4.203 110.487 114.554 0.226 0.000 3.040 135 T HA 0.564 4.904 4.350 -0.017 0.000 0.266 135 T C 0.725 175.440 174.700 0.024 0.000 1.005 135 T CA 0.218 62.315 62.100 -0.004 0.000 0.906 135 T CB 0.446 69.287 68.868 -0.045 0.000 1.082 135 T HN 0.198 nan 8.240 nan 0.000 0.531 136 G N -0.326 108.643 108.800 0.282 0.000 3.183 136 G HA2 0.674 4.624 3.960 -0.017 0.000 0.247 136 G HA3 0.674 4.624 3.960 -0.017 0.000 0.247 136 G C 0.298 175.190 174.900 -0.013 0.000 1.211 136 G CA -0.228 44.962 45.100 0.151 0.000 0.835 136 G HN 0.967 nan 8.290 nan 0.000 0.604 137 G N -1.044 107.348 108.800 -0.681 0.000 2.698 137 G HA2 -0.156 3.794 3.960 -0.017 0.000 0.233 137 G HA3 -0.156 3.794 3.960 -0.017 0.000 0.233 137 G C 1.085 175.789 174.900 -0.325 0.000 1.352 137 G CA 0.334 44.998 45.100 -0.727 0.000 0.879 137 G HN 1.411 nan 8.290 nan 0.000 0.567 138 I N -0.716 119.656 120.570 -0.330 0.000 2.335 138 I HA -0.146 4.014 4.170 -0.017 0.000 0.251 138 I C 2.519 178.575 176.117 -0.101 0.000 1.129 138 I CA 1.858 63.036 61.300 -0.203 0.000 1.402 138 I CB -0.182 37.693 38.000 -0.207 0.000 1.069 138 I HN 0.571 nan 8.210 nan 0.000 0.424 139 Y N 0.239 120.373 120.300 -0.277 0.000 2.298 139 Y HA -0.218 4.321 4.550 -0.018 0.000 0.287 139 Y C 1.682 177.119 175.900 -0.771 0.000 1.164 139 Y CA 1.281 59.059 58.100 -0.537 0.000 1.229 139 Y CB -0.836 37.220 38.460 -0.674 0.000 0.977 139 Y HN 0.254 nan 8.280 nan 0.000 0.538 140 F N -1.769 118.219 119.950 0.064 0.000 2.746 140 F HA 0.414 4.930 4.527 -0.019 0.000 0.320 140 F C 1.565 177.346 175.800 -0.032 0.000 1.097 140 F CA -0.607 57.398 58.000 0.010 0.000 1.195 140 F CB -0.290 38.716 39.000 0.011 0.000 1.056 140 F HN -0.218 nan 8.300 nan 0.000 0.562 141 G N 1.137 109.966 108.800 0.047 0.000 2.491 141 G HA2 0.345 4.295 3.960 -0.017 0.000 0.242 141 G HA3 0.345 4.295 3.960 -0.017 0.000 0.242 141 G C -0.185 174.731 174.900 0.026 0.000 1.266 141 G CA -0.160 44.942 45.100 0.002 0.000 0.844 141 G HN 0.042 nan 8.290 nan 0.000 0.571 142 E N 1.616 121.835 120.200 0.033 0.000 2.227 142 E HA 0.320 4.660 4.350 -0.017 0.000 0.268 142 E C -2.365 174.272 176.600 0.062 0.000 0.907 142 E CA -1.624 54.811 56.400 0.059 0.000 0.786 142 E CB 2.313 32.046 29.700 0.055 0.000 1.191 142 E HN 0.233 nan 8.360 nan 0.000 0.411 143 P HA 0.191 nan 4.420 nan 0.000 0.272 143 P C -0.604 176.863 177.300 0.279 0.000 1.240 143 P CA -0.182 63.046 63.100 0.214 0.000 0.791 143 P CB 0.584 32.431 31.700 0.245 0.000 0.978 144 R N -0.430 120.211 120.500 0.235 0.000 2.629 144 R HA 0.826 5.156 4.340 -0.017 0.000 0.266 144 R C -0.952 175.076 176.300 -0.454 0.000 1.051 144 R CA -0.940 55.075 56.100 -0.143 0.000 0.895 144 R CB 1.210 31.442 30.300 -0.113 0.000 1.246 144 R HN 0.711 nan 8.270 nan 0.000 0.459 145 G N 1.446 109.558 108.800 -1.147 0.000 2.324 145 G HA2 0.402 4.352 3.960 -0.017 0.000 0.293 145 G HA3 0.402 4.352 3.960 -0.017 0.000 0.293 145 G C -1.458 172.495 174.900 -1.579 0.000 1.297 145 G CA -0.533 43.865 45.100 -1.171 0.000 0.853 145 G HN 0.902 nan 8.290 nan 0.000 0.535 146 M N -0.739 118.280 119.600 -0.969 0.000 2.471 146 M HA 0.808 5.278 4.480 -0.017 0.000 0.284 146 M C -0.541 175.670 176.300 -0.149 0.000 1.203 146 M CA -0.558 54.414 55.300 -0.548 0.000 0.915 146 M CB 2.109 34.517 32.600 -0.320 0.000 1.734 146 M HN 1.520 nan 8.290 nan 0.000 0.485 147 S N 0.071 115.812 115.700 0.068 0.000 2.841 147 S HA 0.466 4.926 4.470 -0.017 0.000 0.318 147 S C 0.533 175.173 174.600 0.065 0.000 1.127 147 S CA -0.076 58.191 58.200 0.112 0.000 0.883 147 S CB 1.370 64.695 63.200 0.208 0.000 1.271 147 S HN 0.932 nan 8.310 nan 0.000 0.567 148 E N 0.054 120.287 120.200 0.056 0.000 2.268 148 E HA 0.001 4.341 4.350 -0.017 0.000 0.195 148 E C 1.601 178.229 176.600 0.047 0.000 0.995 148 E CA 0.986 57.408 56.400 0.037 0.000 0.836 148 E CB -0.348 29.368 29.700 0.026 0.000 0.763 148 E HN 0.640 nan 8.360 nan 0.000 0.491 149 A N 1.271 124.134 122.820 0.071 0.000 2.030 149 A HA 0.016 4.326 4.320 -0.017 0.000 0.215 149 A C 0.787 178.425 177.584 0.090 0.000 1.164 149 A CA 0.911 52.989 52.037 0.069 0.000 0.697 149 A CB -0.081 18.956 19.000 0.063 0.000 0.827 149 A HN 0.512 nan 8.150 nan 0.000 0.457 150 E N -3.118 117.168 120.200 0.143 0.000 2.422 150 E HA 0.661 5.001 4.350 -0.017 0.000 0.280 150 E C -0.980 175.768 176.600 0.248 0.000 1.091 150 E CA -0.649 55.865 56.400 0.190 0.000 0.849 150 E CB 0.755 30.586 29.700 0.219 0.000 1.353 150 E HN 0.558 nan 8.360 nan 0.000 0.449 151 A N 0.432 123.387 122.820 0.224 0.000 2.566 151 A HA 0.896 5.206 4.320 -0.017 0.000 0.292 151 A C -2.081 175.626 177.584 0.205 0.000 1.112 151 A CA -0.570 51.487 52.037 0.032 0.000 0.707 151 A CB 1.055 19.979 19.000 -0.127 0.000 1.302 151 A HN 0.885 nan 8.150 nan 0.000 0.409 152 W N 0.077 121.369 121.300 -0.014 0.000 3.479 152 W HA 0.744 5.401 4.660 -0.004 0.000 0.304 152 W C -1.504 175.003 176.519 -0.020 0.000 1.243 152 W CA -0.663 56.672 57.345 -0.016 0.000 1.202 152 W CB 0.598 30.048 29.460 -0.016 0.000 1.346 152 W HN 0.668 nan 8.180 nan 0.000 0.539 153 N N 0.527 119.277 118.700 0.083 0.000 2.329 153 N HA 0.714 5.444 4.740 -0.017 0.000 0.282 153 N C -1.570 173.975 175.510 0.059 0.000 1.198 153 N CA -0.899 52.159 53.050 0.014 0.000 0.790 153 N CB 2.648 41.112 38.487 -0.038 0.000 1.579 153 N HN 0.423 nan 8.380 nan 0.000 0.475 154 T N 0.523 115.093 114.554 0.027 0.000 2.815 154 T HA 0.248 4.588 4.350 -0.017 0.000 0.289 154 T C -0.768 173.893 174.700 -0.065 0.000 1.000 154 T CA -0.421 61.684 62.100 0.008 0.000 0.958 154 T CB 1.028 69.915 68.868 0.032 0.000 0.944 154 T HN 0.418 nan 8.240 nan 0.000 0.442 155 E N 4.138 124.287 120.200 -0.085 0.000 2.052 155 E HA 0.302 4.642 4.350 -0.017 0.000 0.283 155 E C 0.007 176.518 176.600 -0.149 0.000 1.071 155 E CA -0.622 55.683 56.400 -0.159 0.000 0.851 155 E CB 0.300 29.911 29.700 -0.148 0.000 1.066 155 E HN 0.632 nan 8.360 nan 0.000 0.396 156 R N 3.043 123.394 120.500 -0.249 0.000 2.686 156 R HA 0.577 4.907 4.340 -0.017 0.000 0.283 156 R C -1.374 174.725 176.300 -0.335 0.000 0.978 156 R CA -0.927 55.056 56.100 -0.195 0.000 0.897 156 R CB 1.068 31.289 30.300 -0.132 0.000 1.192 156 R HN 0.317 nan 8.270 nan 0.000 0.457 157 Y N 0.476 120.763 120.300 -0.021 0.000 2.470 157 Y HA 0.343 4.884 4.550 -0.015 0.000 0.341 157 Y C -0.258 175.631 175.900 -0.019 0.000 1.021 157 Y CA -0.526 57.613 58.100 0.064 0.000 1.025 157 Y CB 2.870 41.482 38.460 0.255 0.000 1.266 157 Y HN 0.908 nan 8.280 nan 0.000 0.448 158 S N 1.783 117.630 115.700 0.244 0.000 2.687 158 S HA 0.401 4.861 4.470 -0.017 0.000 0.283 158 S C 1.011 175.823 174.600 0.353 0.000 1.170 158 S CA -0.855 57.450 58.200 0.174 0.000 1.008 158 S CB 1.987 65.245 63.200 0.096 0.000 1.026 158 S HN 0.797 nan 8.310 nan 0.000 0.541 159 K N 0.725 121.366 120.400 0.401 0.000 2.063 159 K HA -0.016 4.294 4.320 -0.017 0.000 0.208 159 K C -1.031 175.596 176.600 0.045 0.000 1.048 159 K CA 1.408 57.852 56.287 0.262 0.000 0.928 159 K CB -1.185 31.421 32.500 0.178 0.000 0.713 159 K HN 0.464 nan 8.250 nan 0.000 0.442 160 P HA -0.104 nan 4.420 nan 0.000 0.221 160 P C 0.264 177.502 177.300 -0.102 0.000 1.150 160 P CA 1.172 64.240 63.100 -0.053 0.000 0.800 160 P CB 0.135 31.809 31.700 -0.044 0.000 0.787 161 E N -0.780 119.409 120.200 -0.018 0.000 2.072 161 E HA -0.093 4.247 4.350 -0.017 0.000 0.191 161 E C 1.889 178.412 176.600 -0.128 0.000 0.985 161 E CA 0.945 57.336 56.400 -0.015 0.000 0.801 161 E CB -0.501 29.343 29.700 0.241 0.000 0.750 161 E HN 0.049 nan 8.360 nan 0.000 0.452 162 V N 1.624 121.414 119.914 -0.207 0.000 2.270 162 V HA -0.252 3.858 4.120 -0.017 0.000 0.245 162 V C 2.034 177.844 176.094 -0.473 0.000 1.043 162 V CA 1.877 63.820 62.300 -0.594 0.000 1.014 162 V CB -0.560 30.841 31.823 -0.703 0.000 0.645 162 V HN 0.221 nan 8.190 nan 0.000 0.447 163 E N 0.664 120.683 120.200 -0.301 0.000 2.065 163 E HA -0.307 4.033 4.350 -0.017 0.000 0.201 163 E C 2.366 178.869 176.600 -0.161 0.000 1.016 163 E CA 2.063 58.345 56.400 -0.197 0.000 0.818 163 E CB -0.320 29.301 29.700 -0.131 0.000 0.749 163 E HN 0.696 nan 8.360 nan 0.000 0.453 164 R N 0.706 121.069 120.500 -0.228 0.000 2.115 164 R HA -0.007 4.323 4.340 -0.017 0.000 0.226 164 R C 2.329 178.596 176.300 -0.054 0.000 1.100 164 R CA 1.094 57.043 56.100 -0.253 0.000 0.980 164 R CB -0.660 29.197 30.300 -0.738 0.000 0.875 164 R HN 0.084 nan 8.270 nan 0.000 0.445 165 V N 1.347 121.224 119.914 -0.061 0.000 2.548 165 V HA -0.074 4.036 4.120 -0.017 0.000 0.249 165 V C 2.370 178.456 176.094 -0.013 0.000 1.055 165 V CA 1.754 64.114 62.300 0.101 0.000 1.065 165 V CB -0.173 31.735 31.823 0.141 0.000 0.681 165 V HN 0.509 nan 8.190 nan 0.000 0.462 166 A N 0.257 123.001 122.820 -0.127 0.000 1.898 166 A HA -0.188 4.123 4.320 -0.017 0.000 0.216 166 A C 2.278 179.806 177.584 -0.092 0.000 1.181 166 A CA 1.729 53.661 52.037 -0.173 0.000 0.620 166 A CB -0.552 18.376 19.000 -0.120 0.000 0.819 166 A HN 0.581 nan 8.150 nan 0.000 0.442 167 R N -0.594 119.924 120.500 0.031 0.000 2.091 167 R HA -0.098 4.233 4.340 -0.017 0.000 0.238 167 R C 1.997 178.292 176.300 -0.007 0.000 1.136 167 R CA 1.456 57.579 56.100 0.039 0.000 0.959 167 R CB -0.703 29.683 30.300 0.143 0.000 0.856 167 R HN 0.386 nan 8.270 nan 0.000 0.437 168 V N 1.256 121.200 119.914 0.049 0.000 2.332 168 V HA -0.270 3.840 4.120 -0.017 0.000 0.248 168 V C 2.508 178.574 176.094 -0.046 0.000 1.055 168 V CA 1.996 64.319 62.300 0.037 0.000 1.038 168 V CB -0.729 31.134 31.823 0.067 0.000 0.651 168 V HN 0.420 nan 8.190 nan 0.000 0.450 169 A N -0.407 122.329 122.820 -0.140 0.000 1.902 169 A HA -0.182 4.128 4.320 -0.017 0.000 0.217 169 A C 2.013 179.422 177.584 -0.292 0.000 1.181 169 A CA 1.865 53.757 52.037 -0.241 0.000 0.623 169 A CB -0.709 18.075 19.000 -0.361 0.000 0.818 169 A HN 0.467 nan 8.150 nan 0.000 0.443 170 F N 0.472 120.258 119.950 -0.274 0.000 2.134 170 F HA -0.114 4.403 4.527 -0.017 0.000 0.299 170 F C 2.534 178.201 175.800 -0.222 0.000 1.097 170 F CA 1.482 59.254 58.000 -0.379 0.000 1.264 170 F CB -0.325 38.061 39.000 -1.023 0.000 1.001 170 F HN 0.193 nan 8.300 nan 0.000 0.479 171 E N 0.256 120.454 120.200 -0.002 0.000 2.077 171 E HA -0.178 4.162 4.350 -0.017 0.000 0.193 171 E C 2.465 179.128 176.600 0.105 0.000 0.989 171 E CA 1.204 57.661 56.400 0.094 0.000 0.800 171 E CB -0.743 29.026 29.700 0.115 0.000 0.746 171 E HN 0.354 nan 8.360 nan 0.000 0.452 172 A N 1.544 124.418 122.820 0.090 0.000 1.902 172 A HA -0.066 4.244 4.320 -0.017 0.000 0.217 172 A C 2.437 180.084 177.584 0.106 0.000 1.181 172 A CA 1.980 54.106 52.037 0.147 0.000 0.623 172 A CB -0.563 18.509 19.000 0.121 0.000 0.818 172 A HN 0.264 nan 8.150 nan 0.000 0.443 173 A N -0.092 122.766 122.820 0.064 0.000 1.933 173 A HA -0.178 4.132 4.320 -0.017 0.000 0.218 173 A C 2.173 179.813 177.584 0.094 0.000 1.175 173 A CA 1.515 53.597 52.037 0.074 0.000 0.628 173 A CB -0.491 18.543 19.000 0.056 0.000 0.814 173 A HN 0.564 nan 8.150 nan 0.000 0.444 174 R N -0.217 120.348 120.500 0.108 0.000 2.139 174 R HA -0.135 4.195 4.340 -0.017 0.000 0.243 174 R C 1.650 177.997 176.300 0.078 0.000 1.145 174 R CA 1.690 57.852 56.100 0.104 0.000 0.976 174 R CB -0.239 30.134 30.300 0.122 0.000 0.866 174 R HN 0.495 nan 8.270 nan 0.000 0.449 175 K N -0.414 120.029 120.400 0.070 0.000 2.459 175 K HA 0.036 4.346 4.320 -0.017 0.000 0.193 175 K C 1.208 177.832 176.600 0.040 0.000 1.030 175 K CA 0.458 56.770 56.287 0.042 0.000 1.026 175 K CB 0.402 32.911 32.500 0.015 0.000 0.809 175 K HN 0.118 nan 8.250 nan 0.000 0.504 176 R N -0.396 120.138 120.500 0.057 0.000 2.400 176 R HA 0.319 4.649 4.340 -0.017 0.000 0.112 176 R C 0.891 177.224 176.300 0.055 0.000 1.488 176 R CA -0.471 55.662 56.100 0.054 0.000 1.275 176 R CB 0.325 30.666 30.300 0.067 0.000 1.084 176 R HN -0.166 nan 8.270 nan 0.000 0.426 177 R N 0.881 121.421 120.500 0.066 0.000 2.577 177 R HA 0.253 4.584 4.340 -0.017 0.000 0.344 177 R C -0.609 175.750 176.300 0.097 0.000 1.037 177 R CA 0.010 56.148 56.100 0.064 0.000 1.102 177 R CB 0.646 30.971 30.300 0.043 0.000 1.313 177 R HN 0.325 nan 8.270 nan 0.000 0.561 178 K N 0.951 121.415 120.400 0.107 0.000 3.117 178 K HA -0.209 4.101 4.320 -0.017 0.000 0.269 178 K C -0.799 175.897 176.600 0.159 0.000 1.098 178 K CA 0.744 57.103 56.287 0.120 0.000 0.785 178 K CB -1.473 31.087 32.500 0.100 0.000 1.242 178 K HN 0.357 nan 8.250 nan 0.000 0.491 179 H N -0.223 118.875 119.070 0.048 0.000 2.840 179 H HA 0.386 4.932 4.556 -0.016 0.000 0.340 179 H C -1.357 173.984 175.328 0.022 0.000 1.004 179 H CA -0.550 55.520 56.048 0.037 0.000 1.288 179 H CB 1.356 31.127 29.762 0.014 0.000 1.607 179 H HN -0.035 nan 8.280 nan 0.000 0.522 180 V N 5.937 125.664 119.914 -0.312 0.000 2.459 180 V HA 0.272 4.383 4.120 -0.017 0.000 0.295 180 V C -0.059 175.871 176.094 -0.273 0.000 1.029 180 V CA -0.769 61.385 62.300 -0.243 0.000 0.874 180 V CB 1.844 33.426 31.823 -0.402 0.000 0.985 180 V HN 0.488 nan 8.190 nan 0.000 0.438 181 V N 3.831 123.715 119.914 -0.051 0.000 2.370 181 V HA 0.413 4.523 4.120 -0.017 0.000 0.283 181 V C 0.314 176.387 176.094 -0.035 0.000 1.023 181 V CA -0.188 62.111 62.300 -0.002 0.000 0.857 181 V CB 1.800 33.760 31.823 0.229 0.000 0.985 181 V HN 0.884 nan 8.190 nan 0.000 0.443 182 S N 4.508 120.186 115.700 -0.037 0.000 2.525 182 S HA 0.680 5.140 4.470 -0.017 0.000 0.278 182 S C -0.587 174.106 174.600 0.155 0.000 1.234 182 S CA -0.445 57.835 58.200 0.132 0.000 1.058 182 S CB 1.191 64.572 63.200 0.302 0.000 0.983 182 S HN 0.483 nan 8.310 nan 0.000 0.495 183 V N 5.138 125.102 119.914 0.084 0.000 2.495 183 V HA 0.617 4.727 4.120 -0.017 0.000 0.298 183 V C -0.634 175.393 176.094 -0.112 0.000 1.031 183 V CA -0.680 61.605 62.300 -0.025 0.000 0.871 183 V CB 1.639 33.406 31.823 -0.092 0.000 0.988 183 V HN 1.045 nan 8.190 nan 0.000 0.432 184 D N 3.174 123.566 120.400 -0.015 0.000 2.759 184 D HA 0.476 5.106 4.640 -0.017 0.000 0.321 184 D C -0.691 175.729 176.300 0.200 0.000 1.267 184 D CA -0.888 53.155 54.000 0.072 0.000 0.933 184 D CB 1.533 42.404 40.800 0.118 0.000 1.431 184 D HN 0.228 nan 8.370 nan 0.000 0.504 185 K N -0.636 119.941 120.400 0.294 0.000 3.205 185 K HA 0.655 4.966 4.320 -0.017 0.000 0.202 185 K C 0.293 177.005 176.600 0.186 0.000 1.160 185 K CA -0.162 56.250 56.287 0.208 0.000 0.995 185 K CB 0.081 32.697 32.500 0.193 0.000 1.041 185 K HN 0.491 nan 8.250 nan 0.000 0.507 186 A N 0.794 123.804 122.820 0.316 0.000 2.121 186 A HA -0.122 4.188 4.320 -0.017 0.000 0.218 186 A C 1.293 178.975 177.584 0.163 0.000 1.154 186 A CA 1.288 53.480 52.037 0.259 0.000 0.679 186 A CB -0.510 18.660 19.000 0.283 0.000 0.795 186 A HN 0.640 nan 8.150 nan 0.000 0.458 187 N N -0.658 118.032 118.700 -0.017 0.000 2.461 187 N HA 0.027 4.757 4.740 -0.017 0.000 0.188 187 N C 0.668 176.109 175.510 -0.114 0.000 1.134 187 N CA 1.346 54.306 53.050 -0.150 0.000 0.878 187 N CB 0.150 38.361 38.487 -0.460 0.000 0.972 187 N HN 0.250 nan 8.380 nan 0.000 0.456 188 V N -0.850 119.024 119.914 -0.067 0.000 3.305 188 V HA 0.310 4.420 4.120 -0.017 0.000 0.247 188 V C 0.351 176.455 176.094 0.018 0.000 1.426 188 V CA -0.008 62.272 62.300 -0.034 0.000 1.162 188 V CB 0.617 32.409 31.823 -0.053 0.000 0.961 188 V HN 0.064 nan 8.190 nan 0.000 0.449 189 L N 0.557 121.812 121.223 0.054 0.000 2.322 189 L HA 0.464 4.794 4.340 -0.017 0.000 0.281 189 L C 1.152 178.087 176.870 0.107 0.000 1.014 189 L CA -0.454 54.433 54.840 0.079 0.000 0.815 189 L CB 2.236 44.357 42.059 0.104 0.000 1.247 189 L HN 0.043 nan 8.230 nan 0.000 0.421 190 E N 1.604 121.859 120.200 0.091 0.000 2.114 190 E HA -0.199 4.141 4.350 -0.017 0.000 0.199 190 E C 1.852 178.554 176.600 0.171 0.000 1.008 190 E CA 1.210 57.677 56.400 0.111 0.000 0.810 190 E CB -0.056 29.683 29.700 0.064 0.000 0.739 190 E HN 0.510 nan 8.360 nan 0.000 0.456 191 V N 0.319 120.325 119.914 0.153 0.000 2.490 191 V HA -0.216 3.894 4.120 -0.017 0.000 0.250 191 V C 2.148 178.451 176.094 0.349 0.000 1.061 191 V CA 1.948 64.392 62.300 0.239 0.000 1.064 191 V CB -0.969 30.964 31.823 0.183 0.000 0.670 191 V HN 0.458 nan 8.190 nan 0.000 0.461 192 G N -0.784 108.175 108.800 0.264 0.000 2.394 192 G HA2 -0.259 3.692 3.960 -0.017 0.000 0.214 192 G HA3 -0.259 3.692 3.960 -0.017 0.000 0.214 192 G C 1.498 176.578 174.900 0.301 0.000 1.176 192 G CA 0.824 46.092 45.100 0.280 0.000 0.786 192 G HN 0.548 nan 8.290 nan 0.000 0.533 193 E N -0.454 119.892 120.200 0.244 0.000 2.070 193 E HA -0.200 4.140 4.350 -0.017 0.000 0.197 193 E C 2.064 178.796 176.600 0.220 0.000 1.004 193 E CA 1.075 57.593 56.400 0.198 0.000 0.805 193 E CB -0.309 29.489 29.700 0.164 0.000 0.744 193 E HN 0.389 nan 8.360 nan 0.000 0.451 194 F N 0.676 120.706 119.950 0.132 0.000 2.134 194 F HA -0.213 4.307 4.527 -0.012 0.000 0.299 194 F C 2.117 177.992 175.800 0.125 0.000 1.097 194 F CA 1.839 59.907 58.000 0.113 0.000 1.264 194 F CB -0.334 38.740 39.000 0.123 0.000 1.001 194 F HN 0.261 nan 8.300 nan 0.000 0.479 195 W N 1.985 123.380 121.300 0.158 0.000 2.355 195 W HA -0.221 4.428 4.660 -0.019 0.000 0.309 195 W C 2.526 179.010 176.519 -0.059 0.000 1.206 195 W CA 2.119 59.479 57.345 0.025 0.000 1.284 195 W CB -0.821 28.680 29.460 0.068 0.000 1.145 195 W HN 0.097 nan 8.180 nan 0.000 0.502 196 R N 1.331 121.981 120.500 0.251 0.000 2.073 196 R HA -0.214 4.116 4.340 -0.017 0.000 0.234 196 R C 2.543 178.764 176.300 -0.131 0.000 1.134 196 R CA 2.661 58.776 56.100 0.024 0.000 0.952 196 R CB -0.529 29.715 30.300 -0.094 0.000 0.850 196 R HN 0.208 nan 8.270 nan 0.000 0.433 197 K N -0.888 119.437 120.400 -0.125 0.000 2.097 197 K HA -0.053 4.257 4.320 -0.017 0.000 0.206 197 K C 1.743 178.224 176.600 -0.200 0.000 1.049 197 K CA 1.844 58.043 56.287 -0.147 0.000 0.933 197 K CB -0.322 32.103 32.500 -0.125 0.000 0.717 197 K HN 0.026 nan 8.250 nan 0.000 0.442 198 T N 1.456 115.805 114.554 -0.341 0.000 2.708 198 T HA -0.080 4.260 4.350 -0.017 0.000 0.266 198 T C 2.086 176.641 174.700 -0.241 0.000 1.037 198 T CA 1.475 63.344 62.100 -0.386 0.000 1.146 198 T CB -0.252 68.246 68.868 -0.618 0.000 0.865 198 T HN 0.051 nan 8.240 nan 0.000 0.435 199 V N 1.430 121.206 119.914 -0.230 0.000 2.343 199 V HA -0.160 3.950 4.120 -0.017 0.000 0.247 199 V C 2.577 178.762 176.094 0.153 0.000 1.051 199 V CA 1.912 64.190 62.300 -0.036 0.000 1.036 199 V CB -0.655 31.163 31.823 -0.008 0.000 0.654 199 V HN 0.425 nan 8.190 nan 0.000 0.451 200 E N 0.638 120.927 120.200 0.148 0.000 2.085 200 E HA -0.281 4.059 4.350 -0.017 0.000 0.194 200 E C 2.232 178.858 176.600 0.042 0.000 0.994 200 E CA 2.035 58.526 56.400 0.152 0.000 0.801 200 E CB -0.288 29.483 29.700 0.118 0.000 0.743 200 E HN 0.695 nan 8.360 nan 0.000 0.453 201 E N -0.597 119.592 120.200 -0.019 0.000 2.072 201 E HA -0.152 4.188 4.350 -0.017 0.000 0.191 201 E C 2.033 178.605 176.600 -0.047 0.000 0.985 201 E CA 1.389 57.760 56.400 -0.049 0.000 0.801 201 E CB 0.039 29.689 29.700 -0.082 0.000 0.750 201 E HN 0.214 nan 8.360 nan 0.000 0.452 202 V N 0.827 120.730 119.914 -0.019 0.000 2.407 202 V HA -0.191 3.919 4.120 -0.017 0.000 0.248 202 V C 2.416 178.471 176.094 -0.064 0.000 1.055 202 V CA 1.821 64.135 62.300 0.023 0.000 1.049 202 V CB -0.859 31.038 31.823 0.122 0.000 0.662 202 V HN 0.518 nan 8.190 nan 0.000 0.455 203 G N -0.174 108.522 108.800 -0.173 0.000 2.479 203 G HA2 -0.248 3.702 3.960 -0.017 0.000 0.220 203 G HA3 -0.248 3.702 3.960 -0.017 0.000 0.220 203 G C 1.680 176.405 174.900 -0.292 0.000 1.115 203 G CA 0.503 45.276 45.100 -0.545 0.000 0.757 203 G HN 0.466 nan 8.290 nan 0.000 0.560 204 R N -0.022 120.378 120.500 -0.167 0.000 2.189 204 R HA -0.023 4.307 4.340 -0.017 0.000 0.223 204 R C 2.636 178.804 176.300 -0.221 0.000 1.092 204 R CA 0.731 56.742 56.100 -0.149 0.000 0.989 204 R CB -0.247 29.990 30.300 -0.104 0.000 0.876 204 R HN 0.324 nan 8.270 nan 0.000 0.457 205 G N -0.609 107.996 108.800 -0.324 0.000 2.848 205 G HA2 -0.143 3.807 3.960 -0.017 0.000 0.208 205 G HA3 -0.143 3.807 3.960 -0.017 0.000 0.208 205 G C -0.016 174.300 174.900 -0.974 0.000 1.152 205 G CA 0.172 44.909 45.100 -0.605 0.000 0.789 205 G HN 0.268 nan 8.290 nan 0.000 0.531 206 Y N 0.007 120.117 120.300 -0.317 0.000 2.470 206 Y HA 0.282 4.822 4.550 -0.017 0.000 0.352 206 Y C -1.596 174.187 175.900 -0.195 0.000 0.967 206 Y CA -2.209 55.727 58.100 -0.275 0.000 1.121 206 Y CB 1.680 39.849 38.460 -0.486 0.000 1.149 206 Y HN 0.025 nan 8.280 nan 0.000 0.641 207 P HA -0.137 nan 4.420 nan 0.000 0.226 207 P C 0.614 177.913 177.300 -0.000 0.000 1.153 207 P CA 1.363 64.434 63.100 -0.048 0.000 0.777 207 P CB 0.393 32.057 31.700 -0.061 0.000 0.794 208 D N -0.453 119.963 120.400 0.025 0.000 2.349 208 D HA 0.003 4.633 4.640 -0.017 0.000 0.224 208 D C 0.374 176.724 176.300 0.083 0.000 1.029 208 D CA 0.128 54.158 54.000 0.051 0.000 0.879 208 D CB -0.207 40.626 40.800 0.055 0.000 0.906 208 D HN 0.045 nan 8.370 nan 0.000 0.528 209 V N 0.971 120.948 119.914 0.105 0.000 2.448 209 V HA 0.587 4.697 4.120 -0.017 0.000 0.295 209 V C 0.304 176.461 176.094 0.105 0.000 1.025 209 V CA -1.347 61.040 62.300 0.146 0.000 0.859 209 V CB 1.410 33.400 31.823 0.278 0.000 0.988 209 V HN 0.281 nan 8.190 nan 0.000 0.431 210 A N 4.865 127.721 122.820 0.060 0.000 2.388 210 A HA 0.738 5.048 4.320 -0.017 0.000 0.257 210 A C -0.755 176.737 177.584 -0.154 0.000 1.095 210 A CA -0.112 51.916 52.037 -0.015 0.000 0.791 210 A CB 0.577 19.610 19.000 0.056 0.000 1.029 210 A HN 0.862 nan 8.150 nan 0.000 0.489 211 L N 1.207 122.353 121.223 -0.128 0.000 2.385 211 L HA 0.698 5.028 4.340 -0.017 0.000 0.273 211 L C -0.413 176.293 176.870 -0.273 0.000 0.990 211 L CA -0.099 54.634 54.840 -0.178 0.000 0.821 211 L CB 1.794 43.872 42.059 0.032 0.000 1.279 211 L HN 0.880 nan 8.230 nan 0.000 0.412 212 E N 2.838 122.817 120.200 -0.368 0.000 2.393 212 E HA 0.465 4.805 4.350 -0.017 0.000 0.273 212 E C -1.563 174.800 176.600 -0.394 0.000 0.918 212 E CA -0.721 55.522 56.400 -0.261 0.000 0.773 212 E CB 1.423 31.102 29.700 -0.036 0.000 1.275 212 E HN 0.712 nan 8.360 nan 0.000 0.451 213 H N 1.665 120.739 119.070 0.006 0.000 2.572 213 H HA 0.398 4.944 4.556 -0.016 0.000 0.359 213 H C -0.597 174.669 175.328 -0.102 0.000 1.134 213 H CA -0.825 55.210 56.048 -0.023 0.000 1.187 213 H CB 1.869 31.615 29.762 -0.025 0.000 1.597 213 H HN 0.396 nan 8.280 nan 0.000 0.524 214 Q N 1.751 121.545 119.800 -0.011 0.000 2.421 214 Q HA 0.257 4.587 4.340 -0.017 0.000 0.280 214 Q C -0.975 174.912 176.000 -0.189 0.000 1.085 214 Q CA -0.893 54.839 55.803 -0.119 0.000 0.807 214 Q CB 2.630 31.411 28.738 0.071 0.000 1.405 214 Q HN 0.495 nan 8.270 nan 0.000 0.419 215 Y N -0.162 120.153 120.300 0.026 0.000 2.301 215 Y HA 0.070 4.610 4.550 -0.017 0.000 0.328 215 Y C 1.507 177.299 175.900 -0.180 0.000 1.242 215 Y CA -0.327 57.730 58.100 -0.073 0.000 1.323 215 Y CB 0.464 38.885 38.460 -0.064 0.000 1.266 215 Y HN 0.480 nan 8.280 nan 0.000 0.527 216 V N 2.145 121.952 119.914 -0.178 0.000 2.407 216 V HA -0.249 3.862 4.120 -0.017 0.000 0.248 216 V C 1.610 177.529 176.094 -0.292 0.000 1.055 216 V CA 2.616 64.664 62.300 -0.420 0.000 1.049 216 V CB -0.400 30.753 31.823 -1.117 0.000 0.662 216 V HN 1.008 nan 8.190 nan 0.000 0.455 217 D N 0.755 121.027 120.400 -0.214 0.000 2.117 217 D HA -0.136 4.494 4.640 -0.017 0.000 0.198 217 D C 2.110 178.321 176.300 -0.149 0.000 0.982 217 D CA 1.576 55.480 54.000 -0.159 0.000 0.828 217 D CB -0.647 40.079 40.800 -0.124 0.000 0.967 217 D HN 0.532 nan 8.370 nan 0.000 0.464 218 A N 0.890 123.646 122.820 -0.107 0.000 1.933 218 A HA -0.103 4.207 4.320 -0.017 0.000 0.218 218 A C 2.343 179.649 177.584 -0.464 0.000 1.175 218 A CA 1.492 53.382 52.037 -0.245 0.000 0.628 218 A CB -0.498 18.475 19.000 -0.046 0.000 0.814 218 A HN 0.077 nan 8.150 nan 0.000 0.444 219 M N -0.393 119.071 119.600 -0.226 0.000 2.213 219 M HA -0.093 4.377 4.480 -0.017 0.000 0.263 219 M C 2.409 178.599 176.300 -0.183 0.000 1.062 219 M CA 1.385 56.582 55.300 -0.171 0.000 1.105 219 M CB -1.407 31.086 32.600 -0.180 0.000 1.385 219 M HN 0.502 nan 8.290 nan 0.000 0.417 220 A N -0.273 122.437 122.820 -0.183 0.000 1.969 220 A HA -0.131 4.179 4.320 -0.017 0.000 0.218 220 A C 2.216 179.733 177.584 -0.111 0.000 1.169 220 A CA 1.246 53.204 52.037 -0.132 0.000 0.635 220 A CB -0.452 18.476 19.000 -0.120 0.000 0.810 220 A HN 0.469 nan 8.150 nan 0.000 0.445 221 M N -1.351 118.144 119.600 -0.175 0.000 2.077 221 M HA -0.094 4.376 4.480 -0.017 0.000 0.261 221 M C 2.120 178.409 176.300 -0.020 0.000 1.070 221 M CA 1.297 56.517 55.300 -0.133 0.000 1.125 221 M CB -0.664 31.813 32.600 -0.205 0.000 1.339 221 M HN 0.453 nan 8.290 nan 0.000 0.409 222 H N 0.467 119.582 119.070 0.075 0.000 2.423 222 H HA -0.004 4.543 4.556 -0.017 0.000 0.297 222 H C 2.087 177.540 175.328 0.209 0.000 1.075 222 H CA 1.199 57.359 56.048 0.186 0.000 1.342 222 H CB -0.684 29.305 29.762 0.377 0.000 1.395 222 H HN 0.361 nan 8.280 nan 0.000 0.530 223 L N 0.173 121.499 121.223 0.172 0.000 2.362 223 L HA -0.085 4.245 4.340 -0.017 0.000 0.219 223 L C 2.038 178.956 176.870 0.081 0.000 1.134 223 L CA 0.286 55.178 54.840 0.085 0.000 0.807 223 L CB 0.067 42.094 42.059 -0.054 0.000 0.927 223 L HN 0.081 nan 8.230 nan 0.000 0.447 224 V N -1.240 118.717 119.914 0.073 0.000 2.922 224 V HA -0.017 4.093 4.120 -0.017 0.000 0.242 224 V C 2.320 178.456 176.094 0.070 0.000 1.094 224 V CA 0.825 63.157 62.300 0.053 0.000 1.106 224 V CB -0.143 31.696 31.823 0.026 0.000 0.799 224 V HN 0.318 nan 8.190 nan 0.000 0.474 225 R N 1.180 121.739 120.500 0.098 0.000 2.127 225 R HA 0.063 4.393 4.340 -0.017 0.000 0.217 225 R C 0.929 177.280 176.300 0.084 0.000 1.074 225 R CA 1.353 57.506 56.100 0.088 0.000 0.991 225 R CB 0.082 30.445 30.300 0.105 0.000 0.895 225 R HN 0.589 nan 8.270 nan 0.000 0.450 226 S N -0.931 114.843 115.700 0.123 0.000 2.593 226 S HA 0.227 4.688 4.470 -0.017 0.000 0.178 226 S C -2.252 172.420 174.600 0.120 0.000 1.114 226 S CA -1.015 57.223 58.200 0.064 0.000 1.199 226 S CB 1.245 64.434 63.200 -0.018 0.000 1.564 226 S HN -0.093 nan 8.310 nan 0.000 0.407 227 P HA -0.016 nan 4.420 nan 0.000 0.220 227 P C 1.499 178.911 177.300 0.186 0.000 1.148 227 P CA 1.371 64.638 63.100 0.278 0.000 0.803 227 P CB -0.119 31.672 31.700 0.153 0.000 0.782 228 A N 0.185 123.032 122.820 0.045 0.000 2.216 228 A HA -0.101 4.209 4.320 -0.017 0.000 0.214 228 A C 2.178 179.703 177.584 -0.099 0.000 1.160 228 A CA 0.694 52.723 52.037 -0.014 0.000 0.725 228 A CB -0.897 18.084 19.000 -0.032 0.000 0.784 228 A HN 0.098 nan 8.150 nan 0.000 0.472 229 R N -1.500 118.865 120.500 -0.224 0.000 2.275 229 R HA 0.114 4.444 4.340 -0.017 0.000 0.199 229 R C -0.603 175.316 176.300 -0.635 0.000 0.989 229 R CA 0.176 55.984 56.100 -0.486 0.000 1.016 229 R CB -0.067 29.840 30.300 -0.654 0.000 0.918 229 R HN 0.508 nan 8.270 nan 0.000 0.473 230 F N -0.188 119.717 119.950 -0.075 0.000 2.403 230 F HA 0.126 4.643 4.527 -0.016 0.000 0.326 230 F C 1.244 177.028 175.800 -0.025 0.000 1.081 230 F CA -0.755 57.220 58.000 -0.042 0.000 1.041 230 F CB 0.974 39.971 39.000 -0.005 0.000 1.234 230 F HN -0.200 nan 8.300 nan 0.000 0.503 231 D N -0.001 120.534 120.400 0.226 0.000 3.136 231 D HA 0.176 4.806 4.640 -0.017 0.000 0.254 231 D C -0.748 175.640 176.300 0.147 0.000 1.563 231 D CA 0.679 54.767 54.000 0.148 0.000 1.225 231 D CB 0.255 41.137 40.800 0.138 0.000 1.079 231 D HN 0.092 nan 8.370 nan 0.000 0.314 232 V N 1.423 121.424 119.914 0.145 0.000 2.581 232 V HA 0.603 4.713 4.120 -0.017 0.000 0.303 232 V C -0.332 175.790 176.094 0.047 0.000 1.041 232 V CA -0.787 61.550 62.300 0.063 0.000 0.907 232 V CB 1.971 33.796 31.823 0.003 0.000 0.994 232 V HN 0.126 nan 8.190 nan 0.000 0.442 233 V N 4.577 124.485 119.914 -0.010 0.000 2.588 233 V HA 0.596 4.706 4.120 -0.017 0.000 0.304 233 V C -0.581 175.484 176.094 -0.049 0.000 1.042 233 V CA -0.610 61.662 62.300 -0.046 0.000 0.877 233 V CB 2.074 33.823 31.823 -0.123 0.000 0.996 233 V HN 0.615 nan 8.190 nan 0.000 0.425 234 V N 4.395 124.292 119.914 -0.028 0.000 2.735 234 V HA 0.935 5.045 4.120 -0.017 0.000 0.310 234 V C -0.389 175.781 176.094 0.127 0.000 1.061 234 V CA 0.324 62.645 62.300 0.035 0.000 0.913 234 V CB 2.370 34.188 31.823 -0.007 0.000 1.005 234 V HN 1.085 nan 8.190 nan 0.000 0.428 235 T N 3.080 117.707 114.554 0.121 0.000 2.693 235 T HA 0.601 4.941 4.350 -0.017 0.000 0.304 235 T C 0.034 174.581 174.700 -0.256 0.000 1.471 235 T CA 0.179 62.197 62.100 -0.137 0.000 0.993 235 T CB 1.191 69.988 68.868 -0.118 0.000 1.554 235 T HN 1.248 nan 8.240 nan 0.000 0.496 236 G N 1.102 109.446 108.800 -0.759 0.000 2.653 236 G HA2 0.233 4.183 3.960 -0.017 0.000 0.265 236 G HA3 0.233 4.183 3.960 -0.017 0.000 0.265 236 G C 0.912 175.723 174.900 -0.148 0.000 1.237 236 G CA -0.092 44.712 45.100 -0.492 0.000 0.946 236 G HN 0.669 nan 8.290 nan 0.000 0.522 237 N N -0.689 118.001 118.700 -0.018 0.000 2.062 237 N HA -0.092 4.638 4.740 -0.017 0.000 0.191 237 N C 2.253 177.593 175.510 -0.284 0.000 1.042 237 N CA 1.196 54.207 53.050 -0.065 0.000 0.845 237 N CB -0.274 38.183 38.487 -0.050 0.000 1.024 237 N HN 0.495 nan 8.380 nan 0.000 0.424 238 I N -0.199 120.014 120.570 -0.595 0.000 2.252 238 I HA -0.215 3.945 4.170 -0.017 0.000 0.245 238 I C 1.447 177.517 176.117 -0.078 0.000 1.102 238 I CA 0.965 61.939 61.300 -0.542 0.000 1.385 238 I CB -0.123 37.499 38.000 -0.631 0.000 1.064 238 I HN -0.046 nan 8.210 nan 0.000 0.414 239 F N 1.165 121.000 119.950 -0.190 0.000 2.171 239 F HA -0.052 4.465 4.527 -0.015 0.000 0.300 239 F C 2.557 178.285 175.800 -0.121 0.000 1.090 239 F CA 0.994 58.902 58.000 -0.153 0.000 1.293 239 F CB -1.850 37.026 39.000 -0.207 0.000 1.013 239 F HN 0.117 nan 8.300 nan 0.000 0.486 240 G N -0.817 108.024 108.800 0.068 0.000 2.403 240 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.216 240 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.216 240 G C 1.496 176.425 174.900 0.049 0.000 1.154 240 G CA 0.882 46.004 45.100 0.036 0.000 0.784 240 G HN 0.259 nan 8.290 nan 0.000 0.538 241 D N 0.857 121.303 120.400 0.076 0.000 2.097 241 D HA -0.084 4.546 4.640 -0.017 0.000 0.195 241 D C 2.572 178.919 176.300 0.078 0.000 0.989 241 D CA 0.639 54.706 54.000 0.111 0.000 0.827 241 D CB -0.232 40.700 40.800 0.220 0.000 0.966 241 D HN 0.356 nan 8.370 nan 0.000 0.456 242 I N 0.110 120.728 120.570 0.080 0.000 2.142 242 I HA -0.254 3.907 4.170 -0.017 0.000 0.240 242 I C 2.476 178.598 176.117 0.009 0.000 1.078 242 I CA 0.746 62.074 61.300 0.048 0.000 1.343 242 I CB -0.215 37.818 38.000 0.054 0.000 1.046 242 I HN 0.050 nan 8.210 nan 0.000 0.405 243 L N -0.425 120.794 121.223 -0.007 0.000 2.156 243 L HA -0.144 4.186 4.340 -0.017 0.000 0.208 243 L C 2.690 179.537 176.870 -0.037 0.000 1.095 243 L CA 0.878 55.690 54.840 -0.047 0.000 0.770 243 L CB -0.497 41.511 42.059 -0.084 0.000 0.914 243 L HN 0.231 nan 8.230 nan 0.000 0.439 244 S N -0.124 115.568 115.700 -0.014 0.000 2.383 244 S HA -0.187 4.273 4.470 -0.017 0.000 0.227 244 S C 1.586 176.184 174.600 -0.003 0.000 1.026 244 S CA 1.455 59.650 58.200 -0.009 0.000 0.981 244 S CB -0.118 63.085 63.200 0.005 0.000 0.818 244 S HN 0.383 nan 8.310 nan 0.000 0.472 245 D N 0.989 121.393 120.400 0.007 0.000 2.144 245 D HA -0.050 4.580 4.640 -0.017 0.000 0.200 245 D C 1.847 178.147 176.300 0.000 0.000 0.978 245 D CA 0.656 54.661 54.000 0.009 0.000 0.833 245 D CB -0.466 40.343 40.800 0.016 0.000 0.961 245 D HN 0.339 nan 8.370 nan 0.000 0.470 246 L N 1.072 122.289 121.223 -0.010 0.000 1.994 246 L HA -0.076 4.254 4.340 -0.017 0.000 0.208 246 L C 2.097 178.957 176.870 -0.016 0.000 1.071 246 L CA 2.006 56.836 54.840 -0.017 0.000 0.745 246 L CB -1.048 40.990 42.059 -0.034 0.000 0.892 246 L HN -0.009 nan 8.230 nan 0.000 0.431 247 A N -0.836 121.969 122.820 -0.025 0.000 1.978 247 A HA -0.237 4.073 4.320 -0.017 0.000 0.220 247 A C 2.475 180.056 177.584 -0.006 0.000 1.170 247 A CA 2.115 54.139 52.037 -0.020 0.000 0.636 247 A CB -1.202 17.778 19.000 -0.033 0.000 0.810 247 A HN 0.711 nan 8.150 nan 0.000 0.448 248 S N 0.020 115.719 115.700 -0.000 0.000 2.442 248 S HA -0.103 4.357 4.470 -0.017 0.000 0.236 248 S C 1.608 176.216 174.600 0.015 0.000 1.007 248 S CA 1.453 59.659 58.200 0.010 0.000 0.965 248 S CB -0.963 62.246 63.200 0.015 0.000 0.773 248 S HN 1.129 nan 8.310 nan 0.000 0.504 249 V N -0.962 118.958 119.914 0.011 0.000 3.608 249 V HA 0.326 4.436 4.120 -0.017 0.000 0.269 249 V C 1.957 178.059 176.094 0.014 0.000 1.245 249 V CA 0.406 62.715 62.300 0.014 0.000 1.138 249 V CB -0.948 30.881 31.823 0.011 0.000 0.841 249 V HN 0.466 nan 8.190 nan 0.000 0.451 250 L N 0.150 121.379 121.223 0.011 0.000 2.093 250 L HA 0.024 4.354 4.340 -0.017 0.000 0.208 250 L C -0.084 176.794 176.870 0.013 0.000 1.085 250 L CA 1.468 56.315 54.840 0.011 0.000 0.755 250 L CB -1.687 40.378 42.059 0.009 0.000 0.904 250 L HN 0.375 nan 8.230 nan 0.000 0.435 251 P HA -0.016 nan 4.420 nan 0.000 0.233 251 P C 0.981 178.304 177.300 0.039 0.000 1.167 251 P CA 1.264 64.379 63.100 0.026 0.000 0.770 251 P CB 0.145 31.866 31.700 0.035 0.000 0.837 252 G N -0.758 108.061 108.800 0.031 0.000 2.153 252 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.252 252 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.252 252 G C 0.169 175.089 174.900 0.033 0.000 0.994 252 G CA 0.302 45.420 45.100 0.030 0.000 0.698 252 G HN 0.599 nan 8.290 nan 0.000 0.521 253 S N -1.264 114.461 115.700 0.041 0.000 2.652 253 S HA 0.457 4.917 4.470 -0.017 0.000 0.273 253 S C 0.736 175.366 174.600 0.050 0.000 1.172 253 S CA 0.177 58.400 58.200 0.038 0.000 1.009 253 S CB 0.977 64.198 63.200 0.036 0.000 1.094 253 S HN 1.158 nan 8.310 nan 0.000 0.471 254 L N 5.889 127.139 121.223 0.045 0.000 2.079 254 L HA 0.184 4.514 4.340 -0.017 0.000 0.210 254 L C 2.137 179.067 176.870 0.100 0.000 1.081 254 L CA 2.836 57.717 54.840 0.068 0.000 0.752 254 L CB -0.899 41.198 42.059 0.063 0.000 0.896 254 L HN 0.879 nan 8.230 nan 0.000 0.433 255 G N -1.068 107.769 108.800 0.062 0.000 2.708 255 G HA2 -0.093 3.857 3.960 -0.017 0.000 0.210 255 G HA3 -0.093 3.857 3.960 -0.017 0.000 0.210 255 G C 1.263 176.219 174.900 0.094 0.000 1.141 255 G CA 0.506 45.648 45.100 0.070 0.000 0.788 255 G HN 0.466 nan 8.290 nan 0.000 0.531 256 L N -0.208 121.078 121.223 0.106 0.000 2.640 256 L HA 0.397 4.727 4.340 -0.017 0.000 0.230 256 L C 0.144 177.109 176.870 0.160 0.000 1.123 256 L CA -0.072 54.858 54.840 0.150 0.000 0.900 256 L CB 0.212 42.390 42.059 0.198 0.000 1.146 256 L HN 0.051 nan 8.230 nan 0.000 0.484 257 L N 2.438 123.737 121.223 0.126 0.000 2.287 257 L HA 0.482 4.812 4.340 -0.017 0.000 0.287 257 L C -2.380 174.535 176.870 0.075 0.000 1.022 257 L CA -1.669 53.228 54.840 0.095 0.000 0.814 257 L CB 1.642 43.742 42.059 0.067 0.000 1.217 257 L HN -0.199 nan 8.230 nan 0.000 0.420 258 P HA 0.346 nan 4.420 nan 0.000 0.285 258 P C -1.146 176.186 177.300 0.053 0.000 1.285 258 P CA -0.684 62.460 63.100 0.073 0.000 0.854 258 P CB 2.257 34.030 31.700 0.121 0.000 1.180 259 S N -0.510 115.217 115.700 0.044 0.000 2.541 259 S HA 0.765 5.225 4.470 -0.017 0.000 0.280 259 S C -1.463 173.132 174.600 -0.008 0.000 1.112 259 S CA -0.646 57.555 58.200 0.002 0.000 0.925 259 S CB 0.697 63.874 63.200 -0.039 0.000 1.067 259 S HN 0.634 nan 8.310 nan 0.000 0.479 260 A N 2.612 125.376 122.820 -0.092 0.000 2.371 260 A HA 0.821 5.131 4.320 -0.017 0.000 0.311 260 A C -0.673 176.686 177.584 -0.376 0.000 1.068 260 A CA -0.639 51.213 52.037 -0.308 0.000 0.744 260 A CB 1.755 20.669 19.000 -0.143 0.000 1.239 260 A HN 0.728 nan 8.150 nan 0.000 0.435 261 S N 1.194 116.585 115.700 -0.516 0.000 2.552 261 S HA 0.654 5.114 4.470 -0.017 0.000 0.314 261 S C -1.024 173.289 174.600 -0.477 0.000 1.099 261 S CA -0.345 57.617 58.200 -0.397 0.000 1.070 261 S CB 0.799 63.815 63.200 -0.306 0.000 0.998 261 S HN 0.514 nan 8.310 nan 0.000 0.474 262 L N 2.553 123.505 121.223 -0.450 0.000 2.362 262 L HA 0.956 5.286 4.340 -0.017 0.000 0.271 262 L C 0.707 177.133 176.870 -0.741 0.000 1.002 262 L CA 0.269 54.820 54.840 -0.482 0.000 0.818 262 L CB 1.630 43.459 42.059 -0.383 0.000 1.298 262 L HN 0.874 nan 8.230 nan 0.000 0.420 263 G N 1.634 110.039 108.800 -0.659 0.000 2.565 263 G HA2 0.190 4.140 3.960 -0.017 0.000 0.142 263 G HA3 0.190 4.140 3.960 -0.017 0.000 0.142 263 G C 0.354 175.120 174.900 -0.224 0.000 1.181 263 G CA -0.504 44.037 45.100 -0.931 0.000 1.066 263 G HN 0.327 nan 8.290 nan 0.000 0.530 264 R N 0.148 120.664 120.500 0.027 0.000 2.090 264 R HA 0.143 4.473 4.340 -0.017 0.000 0.228 264 R C 1.774 178.081 176.300 0.012 0.000 1.110 264 R CA 1.135 57.289 56.100 0.090 0.000 0.973 264 R CB -0.268 30.113 30.300 0.134 0.000 0.869 264 R HN 0.449 nan 8.270 nan 0.000 0.440 265 G N -0.076 108.707 108.800 -0.029 0.000 2.773 265 G HA2 0.104 4.054 3.960 -0.017 0.000 0.186 265 G HA3 0.104 4.054 3.960 -0.017 0.000 0.186 265 G C -0.560 174.303 174.900 -0.061 0.000 1.411 265 G CA -0.429 44.651 45.100 -0.033 0.000 1.054 265 G HN -0.005 nan 8.290 nan 0.000 0.579 266 T N 3.134 117.652 114.554 -0.059 0.000 2.814 266 T HA 0.406 4.746 4.350 -0.017 0.000 0.297 266 T C -2.204 172.425 174.700 -0.117 0.000 0.956 266 T CA -0.519 61.545 62.100 -0.061 0.000 1.123 266 T CB 1.489 70.335 68.868 -0.037 0.000 0.902 266 T HN 0.258 nan 8.240 nan 0.000 0.528 267 P HA 0.340 nan 4.420 nan 0.000 0.278 267 P C -0.968 176.092 177.300 -0.400 0.000 1.238 267 P CA -0.451 62.471 63.100 -0.297 0.000 0.794 267 P CB 0.857 32.423 31.700 -0.223 0.000 0.955 268 V N 3.730 123.244 119.914 -0.667 0.000 2.448 268 V HA 0.401 4.511 4.120 -0.017 0.000 0.295 268 V C -0.346 175.271 176.094 -0.795 0.000 1.025 268 V CA -0.301 61.696 62.300 -0.505 0.000 0.859 268 V CB 0.782 32.398 31.823 -0.346 0.000 0.988 268 V HN 0.354 nan 8.190 nan 0.000 0.431 269 F N 3.706 123.616 119.950 -0.067 0.000 2.493 269 F HA 0.709 5.226 4.527 -0.016 0.000 0.329 269 F C 0.298 176.072 175.800 -0.045 0.000 1.126 269 F CA -0.466 57.510 58.000 -0.040 0.000 0.937 269 F CB 1.830 40.829 39.000 -0.002 0.000 1.146 269 F HN 0.639 nan 8.300 nan 0.000 0.442 270 E N 3.168 123.410 120.200 0.071 0.000 2.423 270 E HA 0.532 4.872 4.350 -0.017 0.000 0.280 270 E C -3.379 173.198 176.600 -0.039 0.000 1.030 270 E CA -2.465 53.934 56.400 -0.001 0.000 0.812 270 E CB 2.735 32.405 29.700 -0.050 0.000 1.313 270 E HN 0.102 nan 8.360 nan 0.000 0.456 271 P HA 0.053 nan 4.420 nan 0.000 0.276 271 P C 0.782 177.940 177.300 -0.236 0.000 1.244 271 P CA -0.486 62.455 63.100 -0.264 0.000 0.801 271 P CB 1.310 32.545 31.700 -0.776 0.000 1.006 272 V N 0.441 120.264 119.914 -0.153 0.000 2.488 272 V HA -0.135 3.975 4.120 -0.017 0.000 0.246 272 V C 1.330 177.392 176.094 -0.053 0.000 1.046 272 V CA 1.463 63.721 62.300 -0.070 0.000 1.053 272 V CB -1.907 29.915 31.823 -0.002 0.000 0.679 272 V HN 0.733 nan 8.190 nan 0.000 0.458 273 H N 0.100 119.187 119.070 0.029 0.000 2.895 273 H HA 0.443 4.989 4.556 -0.016 0.000 0.371 273 H C 0.618 175.965 175.328 0.031 0.000 1.219 273 H CA 0.175 56.238 56.048 0.026 0.000 1.431 273 H CB -0.002 29.772 29.762 0.020 0.000 1.414 273 H HN 0.142 nan 8.280 nan 0.000 0.617 274 G N -0.283 108.680 108.800 0.272 0.000 2.543 274 G HA2 0.248 4.198 3.960 -0.017 0.000 0.267 274 G HA3 0.248 4.198 3.960 -0.017 0.000 0.267 274 G C 0.382 175.438 174.900 0.260 0.000 1.406 274 G CA -0.373 44.843 45.100 0.193 0.000 1.048 274 G HN 0.627 nan 8.290 nan 0.000 0.548 275 S N -0.173 115.627 115.700 0.167 0.000 2.528 275 S HA 0.303 4.763 4.470 -0.017 0.000 0.219 275 S C 1.526 176.192 174.600 0.110 0.000 0.985 275 S CA 0.790 59.086 58.200 0.159 0.000 0.914 275 S CB 0.055 63.349 63.200 0.157 0.000 0.776 275 S HN 1.762 nan 8.310 nan 0.000 0.526 276 A N 2.200 125.066 122.820 0.077 0.000 2.511 276 A HA -0.142 4.169 4.320 -0.017 0.000 0.297 276 A C -0.673 176.928 177.584 0.029 0.000 1.476 276 A CA 0.780 52.833 52.037 0.027 0.000 0.757 276 A CB -1.537 17.443 19.000 -0.033 0.000 1.072 276 A HN 0.438 nan 8.150 nan 0.000 0.413 277 P HA -0.143 nan 4.420 nan 0.000 0.222 277 P C 0.874 178.184 177.300 0.017 0.000 1.147 277 P CA 1.316 64.442 63.100 0.042 0.000 0.790 277 P CB 0.011 31.736 31.700 0.041 0.000 0.780 278 D N 0.424 120.827 120.400 0.006 0.000 2.264 278 D HA -0.078 4.552 4.640 -0.017 0.000 0.208 278 D C 1.738 178.036 176.300 -0.004 0.000 0.966 278 D CA 1.050 55.048 54.000 -0.004 0.000 0.864 278 D CB 0.068 40.864 40.800 -0.008 0.000 0.933 278 D HN 0.421 nan 8.370 nan 0.000 0.499 279 I N -2.793 117.775 120.570 -0.005 0.000 4.025 279 I HA 0.353 4.513 4.170 -0.017 0.000 0.336 279 I C 0.553 176.670 176.117 0.001 0.000 1.390 279 I CA -0.576 60.718 61.300 -0.009 0.000 1.099 279 I CB 0.450 38.435 38.000 -0.024 0.000 1.049 279 I HN -0.320 nan 8.210 nan 0.000 0.394 280 A N 1.746 124.574 122.820 0.014 0.000 2.548 280 A HA 0.434 4.744 4.320 -0.017 0.000 0.247 280 A C 1.577 179.175 177.584 0.023 0.000 1.067 280 A CA 0.792 52.846 52.037 0.028 0.000 0.757 280 A CB -0.661 18.367 19.000 0.047 0.000 0.996 280 A HN 1.232 nan 8.150 nan 0.000 0.504 281 G N 2.062 110.877 108.800 0.025 0.000 2.176 281 G HA2 -0.272 3.678 3.960 -0.017 0.000 0.253 281 G HA3 -0.272 3.678 3.960 -0.017 0.000 0.253 281 G C 0.866 175.776 174.900 0.016 0.000 0.979 281 G CA 0.798 45.912 45.100 0.023 0.000 0.641 281 G HN 0.783 nan 8.290 nan 0.000 0.530 282 K N 0.159 120.566 120.400 0.010 0.000 2.361 282 K HA 0.352 4.662 4.320 -0.017 0.000 0.196 282 K C 1.880 178.484 176.600 0.007 0.000 1.039 282 K CA 0.581 56.872 56.287 0.006 0.000 1.001 282 K CB 0.023 32.522 32.500 -0.001 0.000 0.795 282 K HN 1.302 nan 8.250 nan 0.000 0.495 283 G N 2.486 111.292 108.800 0.010 0.000 2.176 283 G HA2 -0.242 3.708 3.960 -0.017 0.000 0.252 283 G HA3 -0.242 3.708 3.960 -0.017 0.000 0.252 283 G C 0.589 175.493 174.900 0.007 0.000 1.024 283 G CA 0.672 45.781 45.100 0.014 0.000 0.755 283 G HN 0.508 nan 8.290 nan 0.000 0.507 284 I N -3.280 117.285 120.570 -0.008 0.000 4.187 284 I HA 0.715 4.875 4.170 -0.017 0.000 0.326 284 I C 1.360 177.445 176.117 -0.053 0.000 1.302 284 I CA 0.229 61.515 61.300 -0.023 0.000 1.196 284 I CB 0.214 38.200 38.000 -0.024 0.000 1.095 284 I HN 0.410 nan 8.210 nan 0.000 0.411 285 A N 2.888 125.672 122.820 -0.059 0.000 2.565 285 A HA 0.004 4.314 4.320 -0.017 0.000 0.237 285 A C 0.205 177.713 177.584 -0.126 0.000 1.053 285 A CA 0.201 52.176 52.037 -0.103 0.000 0.755 285 A CB -0.212 18.732 19.000 -0.093 0.000 0.980 285 A HN 0.544 nan 8.150 nan 0.000 0.506 286 N N 2.907 121.495 118.700 -0.187 0.000 2.405 286 N HA 0.181 4.911 4.740 -0.017 0.000 0.260 286 N C -1.779 173.620 175.510 -0.185 0.000 1.152 286 N CA -1.939 50.952 53.050 -0.265 0.000 0.948 286 N CB 0.965 39.288 38.487 -0.273 0.000 1.111 286 N HN 0.342 nan 8.380 nan 0.000 0.485 287 P HA 0.084 nan 4.420 nan 0.000 0.257 287 P C 0.712 178.042 177.300 0.049 0.000 1.281 287 P CA 0.166 63.274 63.100 0.013 0.000 0.826 287 P CB 0.279 32.037 31.700 0.096 0.000 1.237 288 T N 0.493 115.003 114.554 -0.073 0.000 2.720 288 T HA -0.163 4.177 4.350 -0.017 0.000 0.268 288 T C 1.974 176.740 174.700 0.110 0.000 1.037 288 T CA 2.004 64.128 62.100 0.041 0.000 1.144 288 T CB -0.607 68.226 68.868 -0.060 0.000 0.864 288 T HN 0.134 nan 8.240 nan 0.000 0.444 289 A N 1.388 124.283 122.820 0.125 0.000 1.902 289 A HA 0.109 4.419 4.320 -0.017 0.000 0.217 289 A C 2.650 180.297 177.584 0.105 0.000 1.181 289 A CA 1.957 54.076 52.037 0.136 0.000 0.623 289 A CB -1.139 17.966 19.000 0.175 0.000 0.818 289 A HN 0.520 nan 8.150 nan 0.000 0.443 290 A N -0.182 122.709 122.820 0.119 0.000 1.902 290 A HA -0.070 4.240 4.320 -0.017 0.000 0.217 290 A C 2.130 179.767 177.584 0.088 0.000 1.181 290 A CA 1.531 53.623 52.037 0.092 0.000 0.623 290 A CB -0.598 18.464 19.000 0.103 0.000 0.818 290 A HN 0.497 nan 8.150 nan 0.000 0.443 291 I N -0.319 120.313 120.570 0.103 0.000 2.226 291 I HA -0.237 3.923 4.170 -0.017 0.000 0.245 291 I C 2.256 178.427 176.117 0.089 0.000 1.100 291 I CA 1.031 62.386 61.300 0.093 0.000 1.374 291 I CB -0.259 37.818 38.000 0.129 0.000 1.057 291 I HN 0.281 nan 8.210 nan 0.000 0.413 292 L N -0.227 121.067 121.223 0.117 0.000 2.201 292 L HA -0.145 4.185 4.340 -0.017 0.000 0.212 292 L C 2.588 179.529 176.870 0.119 0.000 1.105 292 L CA 0.876 55.795 54.840 0.131 0.000 0.775 292 L CB -0.493 41.673 42.059 0.179 0.000 0.913 292 L HN 0.193 nan 8.230 nan 0.000 0.440 293 S N 0.265 116.035 115.700 0.116 0.000 2.399 293 S HA -0.145 4.315 4.470 -0.017 0.000 0.231 293 S C 2.204 176.846 174.600 0.070 0.000 1.022 293 S CA 1.158 59.445 58.200 0.146 0.000 0.983 293 S CB -0.205 63.083 63.200 0.146 0.000 0.803 293 S HN 0.508 nan 8.310 nan 0.000 0.480 294 A N 1.491 124.326 122.820 0.025 0.000 1.969 294 A HA 0.226 4.536 4.320 -0.017 0.000 0.218 294 A C 2.329 179.867 177.584 -0.076 0.000 1.169 294 A CA 1.448 53.456 52.037 -0.049 0.000 0.635 294 A CB -0.916 18.069 19.000 -0.024 0.000 0.810 294 A HN 0.499 nan 8.150 nan 0.000 0.445 295 A N -0.283 122.528 122.820 -0.014 0.000 1.902 295 A HA -0.118 4.192 4.320 -0.017 0.000 0.217 295 A C 2.239 179.797 177.584 -0.043 0.000 1.181 295 A CA 1.728 53.758 52.037 -0.012 0.000 0.623 295 A CB -0.564 18.462 19.000 0.043 0.000 0.818 295 A HN 0.515 nan 8.150 nan 0.000 0.443 296 M N -1.328 118.281 119.600 0.015 0.000 2.108 296 M HA -0.211 4.259 4.480 -0.017 0.000 0.261 296 M C 2.486 178.637 176.300 -0.248 0.000 1.066 296 M CA 2.225 57.597 55.300 0.120 0.000 1.107 296 M CB -0.474 32.360 32.600 0.389 0.000 1.356 296 M HN 0.650 nan 8.290 nan 0.000 0.406 297 M N 0.803 119.883 119.600 -0.868 0.000 2.065 297 M HA -0.251 4.219 4.480 -0.017 0.000 0.259 297 M C 2.041 178.085 176.300 -0.427 0.000 1.069 297 M CA 1.863 56.275 55.300 -1.481 0.000 1.110 297 M CB -0.209 31.776 32.600 -1.025 0.000 1.328 297 M HN 0.242 nan 8.290 nan 0.000 0.405 298 L N -0.075 121.062 121.223 -0.143 0.000 2.013 298 L HA -0.270 4.060 4.340 -0.017 0.000 0.212 298 L C 2.533 179.402 176.870 -0.001 0.000 1.073 298 L CA 2.121 56.986 54.840 0.041 0.000 0.753 298 L CB -0.850 41.198 42.059 -0.018 0.000 0.890 298 L HN 0.494 nan 8.230 nan 0.000 0.432 299 E N -0.954 119.168 120.200 -0.131 0.000 2.028 299 E HA -0.193 4.147 4.350 -0.017 0.000 0.190 299 E C 2.169 178.619 176.600 -0.250 0.000 0.984 299 E CA 1.023 57.280 56.400 -0.238 0.000 0.800 299 E CB 0.094 29.541 29.700 -0.421 0.000 0.758 299 E HN 0.523 nan 8.360 nan 0.000 0.448 300 H N -1.082 118.000 119.070 0.020 0.000 2.520 300 H HA 0.215 4.761 4.556 -0.016 0.000 0.279 300 H C 1.671 177.025 175.328 0.043 0.000 0.990 300 H CA 0.996 57.094 56.048 0.085 0.000 1.288 300 H CB 0.465 30.360 29.762 0.222 0.000 1.446 300 H HN 0.291 nan 8.280 nan 0.000 0.538 301 A N 0.272 123.098 122.820 0.011 0.000 1.924 301 A HA 0.050 4.360 4.320 -0.017 0.000 0.211 301 A C 1.392 178.674 177.584 -0.504 0.000 1.198 301 A CA 0.592 52.448 52.037 -0.302 0.000 0.657 301 A CB -0.285 18.336 19.000 -0.632 0.000 0.852 301 A HN 0.157 nan 8.150 nan 0.000 0.454 302 F N -0.891 119.056 119.950 -0.004 0.000 2.704 302 F HA 0.377 4.895 4.527 -0.016 0.000 0.304 302 F C 1.772 177.566 175.800 -0.011 0.000 1.094 302 F CA 0.179 58.174 58.000 -0.009 0.000 1.275 302 F CB 0.205 39.184 39.000 -0.035 0.000 1.073 302 F HN 0.329 nan 8.300 nan 0.000 0.586 303 G N 1.298 110.154 108.800 0.094 0.000 2.179 303 G HA2 -0.315 3.635 3.960 -0.017 0.000 0.257 303 G HA3 -0.315 3.635 3.960 -0.017 0.000 0.257 303 G C 0.229 175.157 174.900 0.046 0.000 1.010 303 G CA -0.003 45.128 45.100 0.052 0.000 0.736 303 G HN 0.332 nan 8.290 nan 0.000 0.513 304 L N 1.168 122.424 121.223 0.056 0.000 2.466 304 L HA 0.262 4.593 4.340 -0.017 0.000 0.248 304 L C 1.927 178.795 176.870 -0.004 0.000 1.240 304 L CA -0.728 54.129 54.840 0.029 0.000 1.180 304 L CB 0.697 42.774 42.059 0.030 0.000 1.413 304 L HN 0.064 nan 8.230 nan 0.000 0.406 305 V N 0.285 120.193 119.914 -0.011 0.000 2.379 305 V HA -0.222 3.888 4.120 -0.017 0.000 0.245 305 V C 2.337 178.424 176.094 -0.012 0.000 1.044 305 V CA 1.706 63.989 62.300 -0.028 0.000 1.036 305 V CB -0.213 31.598 31.823 -0.020 0.000 0.664 305 V HN 0.773 nan 8.190 nan 0.000 0.453 306 E N 0.287 120.486 120.200 -0.002 0.000 2.085 306 E HA -0.232 4.109 4.350 -0.017 0.000 0.194 306 E C 2.225 178.825 176.600 0.000 0.000 0.994 306 E CA 1.513 57.914 56.400 0.002 0.000 0.801 306 E CB -0.130 29.573 29.700 0.005 0.000 0.743 306 E HN 0.561 nan 8.360 nan 0.000 0.453 307 L N 0.235 121.455 121.223 -0.005 0.000 2.046 307 L HA -0.157 4.173 4.340 -0.017 0.000 0.208 307 L C 2.700 179.566 176.870 -0.007 0.000 1.077 307 L CA 0.978 55.813 54.840 -0.008 0.000 0.747 307 L CB -0.521 41.528 42.059 -0.017 0.000 0.896 307 L HN 0.222 nan 8.230 nan 0.000 0.432 308 A N -0.133 122.681 122.820 -0.011 0.000 1.902 308 A HA -0.181 4.129 4.320 -0.017 0.000 0.217 308 A C 2.373 179.967 177.584 0.016 0.000 1.181 308 A CA 1.262 53.294 52.037 -0.008 0.000 0.623 308 A CB -0.374 18.604 19.000 -0.037 0.000 0.818 308 A HN 0.247 nan 8.150 nan 0.000 0.443 309 R N 0.081 120.591 120.500 0.016 0.000 2.092 309 R HA -0.064 4.266 4.340 -0.017 0.000 0.231 309 R C 1.972 178.293 176.300 0.035 0.000 1.119 309 R CA 1.495 57.615 56.100 0.034 0.000 0.970 309 R CB -0.540 29.776 30.300 0.027 0.000 0.864 309 R HN 0.614 nan 8.270 nan 0.000 0.440 310 K N 0.197 120.610 120.400 0.021 0.000 2.057 310 K HA -0.070 4.240 4.320 -0.017 0.000 0.207 310 K C 2.132 178.741 176.600 0.015 0.000 1.049 310 K CA 1.296 57.593 56.287 0.016 0.000 0.931 310 K CB -0.168 32.336 32.500 0.008 0.000 0.714 310 K HN -0.062 nan 8.250 nan 0.000 0.440 311 V N 1.848 121.771 119.914 0.015 0.000 2.343 311 V HA -0.241 3.869 4.120 -0.017 0.000 0.247 311 V C 1.942 178.052 176.094 0.026 0.000 1.051 311 V CA 1.801 64.110 62.300 0.014 0.000 1.036 311 V CB -0.445 31.388 31.823 0.017 0.000 0.654 311 V HN 0.333 nan 8.190 nan 0.000 0.451 312 E N -0.036 120.202 120.200 0.064 0.000 2.077 312 E HA -0.285 4.055 4.350 -0.017 0.000 0.193 312 E C 1.970 178.620 176.600 0.083 0.000 0.989 312 E CA 1.633 58.111 56.400 0.129 0.000 0.800 312 E CB -0.207 29.619 29.700 0.210 0.000 0.746 312 E HN 0.696 nan 8.360 nan 0.000 0.452 313 D N 0.134 120.566 120.400 0.053 0.000 2.144 313 D HA -0.111 4.519 4.640 -0.017 0.000 0.200 313 D C 1.867 178.119 176.300 -0.080 0.000 0.978 313 D CA 1.341 55.348 54.000 0.012 0.000 0.833 313 D CB 0.032 40.844 40.800 0.019 0.000 0.961 313 D HN 0.159 nan 8.370 nan 0.000 0.470 314 A N -0.234 122.544 122.820 -0.069 0.000 1.898 314 A HA -0.062 4.248 4.320 -0.017 0.000 0.216 314 A C 2.455 179.915 177.584 -0.206 0.000 1.181 314 A CA 1.278 53.255 52.037 -0.099 0.000 0.620 314 A CB -0.775 18.210 19.000 -0.025 0.000 0.819 314 A HN 0.206 nan 8.150 nan 0.000 0.442 315 V N 0.023 119.830 119.914 -0.177 0.000 2.295 315 V HA -0.277 3.833 4.120 -0.017 0.000 0.246 315 V C 3.079 178.943 176.094 -0.383 0.000 1.049 315 V CA 1.979 64.148 62.300 -0.220 0.000 1.024 315 V CB -1.260 30.480 31.823 -0.139 0.000 0.648 315 V HN 0.620 nan 8.190 nan 0.000 0.447 316 A N -0.178 122.344 122.820 -0.497 0.000 1.883 316 A HA -0.297 4.013 4.320 -0.017 0.000 0.217 316 A C 2.282 179.693 177.584 -0.289 0.000 1.186 316 A CA 2.330 54.066 52.037 -0.501 0.000 0.624 316 A CB -0.507 18.427 19.000 -0.110 0.000 0.822 316 A HN 0.562 nan 8.150 nan 0.000 0.444 317 K N -0.461 119.740 120.400 -0.332 0.000 2.057 317 K HA -0.043 4.267 4.320 -0.017 0.000 0.207 317 K C 2.313 178.673 176.600 -0.400 0.000 1.049 317 K CA 1.124 57.137 56.287 -0.458 0.000 0.931 317 K CB -0.352 31.587 32.500 -0.935 0.000 0.714 317 K HN 0.449 nan 8.250 nan 0.000 0.440 318 A N 1.401 123.985 122.820 -0.393 0.000 1.940 318 A HA -0.147 4.164 4.320 -0.017 0.000 0.219 318 A C 2.097 179.657 177.584 -0.039 0.000 1.176 318 A CA 1.299 53.141 52.037 -0.326 0.000 0.631 318 A CB -0.670 17.855 19.000 -0.792 0.000 0.814 318 A HN 0.177 nan 8.150 nan 0.000 0.446 319 L N -0.787 120.479 121.223 0.072 0.000 2.131 319 L HA -0.168 4.162 4.340 -0.017 0.000 0.210 319 L C 2.403 179.320 176.870 0.079 0.000 1.092 319 L CA 0.903 55.850 54.840 0.178 0.000 0.759 319 L CB -0.403 41.670 42.059 0.024 0.000 0.903 319 L HN 0.398 nan 8.230 nan 0.000 0.435 320 L N -1.120 120.108 121.223 0.008 0.000 2.127 320 L HA -0.097 4.233 4.340 -0.017 0.000 0.203 320 L C 2.514 179.397 176.870 0.022 0.000 1.080 320 L CA 0.834 55.681 54.840 0.012 0.000 0.768 320 L CB -0.379 41.672 42.059 -0.012 0.000 0.924 320 L HN 0.252 nan 8.230 nan 0.000 0.444 321 E N 0.330 120.536 120.200 0.010 0.000 2.046 321 E HA -0.137 4.203 4.350 -0.017 0.000 0.190 321 E C 0.534 177.166 176.600 0.054 0.000 0.982 321 E CA 1.553 57.976 56.400 0.037 0.000 0.800 321 E CB 0.375 30.117 29.700 0.070 0.000 0.756 321 E HN 0.377 nan 8.360 nan 0.000 0.449 322 T N 0.256 114.857 114.554 0.079 0.000 3.504 322 T HA 0.360 4.700 4.350 -0.017 0.000 0.286 322 T C -2.761 172.072 174.700 0.222 0.000 1.530 322 T CA -1.884 60.288 62.100 0.120 0.000 1.652 322 T CB 1.156 70.082 68.868 0.096 0.000 0.895 322 T HN -0.075 nan 8.240 nan 0.000 0.674 323 P HA 0.279 nan 4.420 nan 0.000 0.268 323 P C -2.625 174.717 177.300 0.070 0.000 1.204 323 P CA -1.024 62.151 63.100 0.125 0.000 0.768 323 P CB 0.185 31.924 31.700 0.065 0.000 0.842 324 P HA 0.162 nan 4.420 nan 0.000 0.275 324 P C -1.910 175.358 177.300 -0.053 0.000 1.266 324 P CA -1.604 61.447 63.100 -0.081 0.000 0.793 324 P CB -0.827 30.720 31.700 -0.254 0.000 1.074 325 P HA -0.163 nan 4.420 nan 0.000 0.217 325 P C 0.918 178.196 177.300 -0.037 0.000 1.150 325 P CA 1.502 64.582 63.100 -0.033 0.000 0.832 325 P CB -0.393 31.288 31.700 -0.032 0.000 0.787 326 D N -0.705 119.660 120.400 -0.058 0.000 2.351 326 D HA -0.113 4.517 4.640 -0.017 0.000 0.216 326 D C 1.117 177.398 176.300 -0.033 0.000 0.968 326 D CA 0.876 54.846 54.000 -0.049 0.000 0.899 326 D CB -0.591 40.170 40.800 -0.065 0.000 0.907 326 D HN 0.191 nan 8.370 nan 0.000 0.514 327 L N -0.441 120.762 121.223 -0.033 0.000 2.700 327 L HA 0.372 4.702 4.340 -0.017 0.000 0.234 327 L C 1.709 178.581 176.870 0.002 0.000 1.156 327 L CA 0.476 55.311 54.840 -0.009 0.000 0.946 327 L CB 0.487 42.543 42.059 -0.005 0.000 1.216 327 L HN 0.270 nan 8.230 nan 0.000 0.493 328 G N -1.455 107.344 108.800 -0.003 0.000 2.176 328 G HA2 -0.235 3.715 3.960 -0.017 0.000 0.253 328 G HA3 -0.235 3.715 3.960 -0.017 0.000 0.253 328 G C 0.690 175.595 174.900 0.008 0.000 0.979 328 G CA 0.000 45.102 45.100 0.004 0.000 0.641 328 G HN 0.612 nan 8.290 nan 0.000 0.530 329 G N -0.667 108.138 108.800 0.008 0.000 2.606 329 G HA2 0.664 4.614 3.960 -0.017 0.000 0.262 329 G HA3 0.664 4.614 3.960 -0.017 0.000 0.262 329 G C 0.896 175.803 174.900 0.013 0.000 1.394 329 G CA 0.830 45.940 45.100 0.018 0.000 1.044 329 G HN 1.446 nan 8.290 nan 0.000 0.553 330 S N -1.980 113.734 115.700 0.023 0.000 3.009 330 S HA 0.548 5.009 4.470 -0.017 0.000 0.254 330 S C 0.510 175.127 174.600 0.030 0.000 1.004 330 S CA 0.416 58.627 58.200 0.019 0.000 1.119 330 S CB 0.281 63.491 63.200 0.017 0.000 1.075 330 S HN 1.072 nan 8.310 nan 0.000 0.618 331 A N 1.438 124.287 122.820 0.048 0.000 2.409 331 A HA 0.708 5.018 4.320 -0.017 0.000 0.267 331 A C 0.925 178.546 177.584 0.060 0.000 1.127 331 A CA 0.035 52.119 52.037 0.078 0.000 0.795 331 A CB -0.216 18.878 19.000 0.156 0.000 1.061 331 A HN 0.654 nan 8.150 nan 0.000 0.502 332 G N 1.227 110.062 108.800 0.058 0.000 2.651 332 G HA2 0.353 4.303 3.960 -0.017 0.000 0.260 332 G HA3 0.353 4.303 3.960 -0.017 0.000 0.260 332 G C 0.930 175.876 174.900 0.077 0.000 1.216 332 G CA 0.417 45.545 45.100 0.045 0.000 0.913 332 G HN 0.670 nan 8.290 nan 0.000 0.535 333 T N 0.250 114.836 114.554 0.053 0.000 2.684 333 T HA -0.112 4.229 4.350 -0.017 0.000 0.267 333 T C 2.126 176.904 174.700 0.129 0.000 1.036 333 T CA 1.627 63.773 62.100 0.077 0.000 1.148 333 T CB -0.077 68.817 68.868 0.044 0.000 0.863 333 T HN 0.519 nan 8.240 nan 0.000 0.436 334 E N 1.078 121.331 120.200 0.088 0.000 2.072 334 E HA 0.014 4.354 4.350 -0.017 0.000 0.190 334 E C 2.667 179.314 176.600 0.080 0.000 0.982 334 E CA 1.033 57.478 56.400 0.076 0.000 0.803 334 E CB -0.436 29.293 29.700 0.048 0.000 0.755 334 E HN 0.497 nan 8.360 nan 0.000 0.453 335 A N 1.060 123.930 122.820 0.083 0.000 1.908 335 A HA -0.194 4.116 4.320 -0.017 0.000 0.218 335 A C 2.068 179.709 177.584 0.094 0.000 1.181 335 A CA 1.318 53.398 52.037 0.072 0.000 0.627 335 A CB -0.843 18.198 19.000 0.068 0.000 0.818 335 A HN 0.283 nan 8.150 nan 0.000 0.445 336 F N 1.338 121.290 119.950 0.003 0.000 2.102 336 F HA -0.153 4.364 4.527 -0.017 0.000 0.298 336 F C 2.505 178.308 175.800 0.005 0.000 1.105 336 F CA 2.301 60.302 58.000 0.002 0.000 1.239 336 F CB -0.636 38.361 39.000 -0.005 0.000 0.991 336 F HN 0.215 nan 8.300 nan 0.000 0.474 337 T N 0.690 115.334 114.554 0.150 0.000 2.699 337 T HA -0.252 4.088 4.350 -0.017 0.000 0.268 337 T C 2.188 176.849 174.700 -0.066 0.000 1.036 337 T CA 1.523 63.644 62.100 0.035 0.000 1.147 337 T CB -0.917 68.006 68.868 0.092 0.000 0.862 337 T HN 0.396 nan 8.240 nan 0.000 0.446 338 A N 1.224 124.019 122.820 -0.042 0.000 1.933 338 A HA -0.134 4.176 4.320 -0.017 0.000 0.218 338 A C 2.566 180.088 177.584 -0.103 0.000 1.175 338 A CA 2.076 54.079 52.037 -0.056 0.000 0.628 338 A CB -1.207 17.775 19.000 -0.030 0.000 0.814 338 A HN 0.489 nan 8.150 nan 0.000 0.444 339 T N -0.345 114.118 114.554 -0.150 0.000 2.777 339 T HA -0.108 4.232 4.350 -0.017 0.000 0.266 339 T C 1.903 176.522 174.700 -0.135 0.000 1.040 339 T CA 1.507 63.513 62.100 -0.156 0.000 1.141 339 T CB -0.455 68.291 68.868 -0.203 0.000 0.868 339 T HN 0.167 nan 8.240 nan 0.000 0.444 340 V N 1.923 121.665 119.914 -0.287 0.000 2.255 340 V HA -0.179 3.931 4.120 -0.017 0.000 0.247 340 V C 2.538 178.583 176.094 -0.082 0.000 1.051 340 V CA 1.676 63.853 62.300 -0.205 0.000 1.018 340 V CB -0.839 30.837 31.823 -0.245 0.000 0.641 340 V HN 0.449 nan 8.190 nan 0.000 0.445 341 L N -0.639 120.533 121.223 -0.085 0.000 2.043 341 L HA -0.232 4.098 4.340 -0.017 0.000 0.212 341 L C 2.783 179.607 176.870 -0.077 0.000 1.075 341 L CA 1.775 56.578 54.840 -0.061 0.000 0.752 341 L CB -0.758 41.271 42.059 -0.050 0.000 0.891 341 L HN 0.262 nan 8.230 nan 0.000 0.432 342 R N -1.024 119.403 120.500 -0.121 0.000 2.091 342 R HA -0.160 4.170 4.340 -0.017 0.000 0.238 342 R C 2.338 178.492 176.300 -0.243 0.000 1.136 342 R CA 1.269 57.252 56.100 -0.195 0.000 0.959 342 R CB -0.461 29.676 30.300 -0.273 0.000 0.856 342 R HN 0.502 nan 8.270 nan 0.000 0.437 343 H N 0.491 119.508 119.070 -0.088 0.000 2.363 343 H HA -0.020 4.526 4.556 -0.017 0.000 0.301 343 H C 2.308 177.601 175.328 -0.059 0.000 1.074 343 H CA 1.085 57.087 56.048 -0.076 0.000 1.354 343 H CB -0.077 29.627 29.762 -0.097 0.000 1.397 343 H HN 0.151 nan 8.280 nan 0.000 0.516 344 L N 0.298 121.544 121.223 0.038 0.000 2.042 344 L HA -0.202 4.128 4.340 -0.017 0.000 0.210 344 L C 2.886 179.750 176.870 -0.011 0.000 1.076 344 L CA 1.116 55.960 54.840 0.007 0.000 0.749 344 L CB -0.467 41.587 42.059 -0.009 0.000 0.893 344 L HN 0.222 nan 8.230 nan 0.000 0.432 345 A N -0.297 122.504 122.820 -0.032 0.000 1.902 345 A HA -0.164 4.146 4.320 -0.017 0.000 0.217 345 A C 2.487 180.050 177.584 -0.036 0.000 1.181 345 A CA 1.757 53.771 52.037 -0.038 0.000 0.623 345 A CB -0.696 18.273 19.000 -0.053 0.000 0.818 345 A HN 0.425 nan 8.150 nan 0.000 0.443 346 A N -0.246 122.545 122.820 -0.048 0.000 1.898 346 A HA 0.228 4.538 4.320 -0.017 0.000 0.216 346 A C 2.487 180.066 177.584 -0.008 0.000 1.181 346 A CA 1.890 53.903 52.037 -0.040 0.000 0.620 346 A CB -0.974 17.985 19.000 -0.069 0.000 0.819 346 A HN 1.044 nan 8.150 nan 0.000 0.442 347 A N -0.153 122.673 122.820 0.011 0.000 1.972 347 A HA 0.183 4.493 4.320 -0.017 0.000 0.219 347 A C 2.442 180.030 177.584 0.005 0.000 1.169 347 A CA 1.988 54.035 52.037 0.017 0.000 0.635 347 A CB -0.857 18.159 19.000 0.027 0.000 0.810 347 A HN 0.940 nan 8.150 nan 0.000 0.446 348 A N -0.297 122.522 122.820 -0.002 0.000 1.841 348 A HA 0.099 4.409 4.320 -0.017 0.000 0.214 348 A C 1.431 179.011 177.584 -0.007 0.000 1.195 348 A CA 0.822 52.856 52.037 -0.005 0.000 0.611 348 A CB -0.639 18.355 19.000 -0.010 0.000 0.835 348 A HN 0.413 nan 8.150 nan 0.000 0.443 349 L N 1.680 122.897 121.223 -0.011 0.000 3.515 349 L HA -0.024 4.306 4.340 -0.017 0.000 0.248 349 L C 0.034 176.899 176.870 -0.007 0.000 1.499 349 L CA -0.139 54.695 54.840 -0.011 0.000 1.101 349 L CB -0.773 41.276 42.059 -0.016 0.000 1.434 349 L HN 0.410 nan 8.230 nan 0.000 0.451 350 E N 0.000 120.198 120.200 -0.004 0.000 2.725 350 E HA 0.000 4.340 4.350 -0.017 0.000 0.291 350 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 350 E CB 0.000 29.701 29.700 0.001 0.000 0.812 350 E HN 0.000 nan 8.360 nan 0.000 0.440