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 1bkg_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPSATVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE KQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS SQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 R N 0.127 120.629 120.500 0.004 0.000 2.700 2 R HA 0.950 5.290 4.340 -0.000 0.000 0.253 2 R C -0.537 175.766 176.300 0.005 0.000 1.091 2 R CA -0.339 55.764 56.100 0.005 0.000 1.104 2 R CB 1.661 31.964 30.300 0.006 0.000 1.202 2 R HN 1.025 nan 8.270 nan 0.000 0.532 3 G N 0.427 109.232 108.800 0.007 0.000 2.316 3 G HA2 0.047 4.007 3.960 -0.000 0.000 0.468 3 G HA3 0.047 4.007 3.960 -0.000 0.000 0.468 3 G C -1.270 173.637 174.900 0.011 0.000 1.523 3 G CA -1.054 44.051 45.100 0.008 0.000 0.972 3 G HN 0.341 nan 8.290 nan 0.000 0.667 4 L N 1.141 122.372 121.223 0.014 0.000 2.453 4 L HA 0.533 4.873 4.340 -0.000 0.000 0.261 4 L C 1.678 178.558 176.870 0.016 0.000 1.179 4 L CA -0.321 54.532 54.840 0.021 0.000 0.813 4 L CB 1.183 43.258 42.059 0.027 0.000 1.110 4 L HN 0.900 nan 8.230 nan 0.000 0.466 5 S N 1.075 116.787 115.700 0.020 0.000 2.600 5 S HA 0.143 4.613 4.470 -0.000 0.000 0.265 5 S C 0.953 175.553 174.600 0.001 0.000 1.325 5 S CA -0.498 57.703 58.200 0.001 0.000 1.002 5 S CB 1.259 64.452 63.200 -0.012 0.000 0.921 5 S HN 0.693 nan 8.310 nan 0.000 0.554 6 R N 1.213 121.701 120.500 -0.021 0.000 2.075 6 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 6 R C 2.625 178.914 176.300 -0.019 0.000 1.126 6 R CA 1.557 57.645 56.100 -0.020 0.000 0.963 6 R CB -0.425 29.855 30.300 -0.033 0.000 0.858 6 R HN 0.936 nan 8.270 nan 0.000 0.435 7 R N -0.296 120.165 120.500 -0.066 0.000 2.105 7 R HA -0.070 4.270 4.340 -0.000 0.000 0.239 7 R C 2.020 178.378 176.300 0.097 0.000 1.135 7 R CA 1.639 57.682 56.100 -0.094 0.000 0.967 7 R CB -0.951 29.110 30.300 -0.398 0.000 0.861 7 R HN 0.103 nan 8.270 nan 0.000 0.442 8 V N 1.143 121.146 119.914 0.149 0.000 2.667 8 V HA -0.117 4.003 4.120 -0.000 0.000 0.252 8 V C 2.024 178.195 176.094 0.129 0.000 1.065 8 V CA 1.557 64.009 62.300 0.253 0.000 1.083 8 V CB -0.142 31.810 31.823 0.215 0.000 0.692 8 V HN 0.447 nan 8.190 nan 0.000 0.468 9 Q N -0.649 119.196 119.800 0.074 0.000 2.245 9 Q HA -0.008 4.332 4.340 -0.000 0.000 0.201 9 Q C 2.203 178.227 176.000 0.040 0.000 0.955 9 Q CA 1.319 57.149 55.803 0.045 0.000 0.870 9 Q CB -0.114 28.639 28.738 0.025 0.000 0.945 9 Q HN 0.710 nan 8.270 nan 0.000 0.461 10 A N 0.644 123.494 122.820 0.049 0.000 2.021 10 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 10 A C 1.243 178.855 177.584 0.048 0.000 1.163 10 A CA -0.088 51.972 52.037 0.038 0.000 0.676 10 A CB -0.166 18.851 19.000 0.027 0.000 0.818 10 A HN 0.367 nan 8.150 nan 0.000 0.453 11 M N 0.954 120.607 119.600 0.088 0.000 2.239 11 M HA 0.185 4.665 4.480 -0.000 0.000 0.348 11 M C -0.809 175.495 176.300 0.008 0.000 1.239 11 M CA 0.372 55.712 55.300 0.068 0.000 1.114 11 M CB 0.339 33.016 32.600 0.128 0.000 1.641 11 M HN 0.100 nan 8.290 nan 0.000 0.453 12 K N 6.659 127.041 120.400 -0.030 0.000 2.234 12 K HA 0.469 4.789 4.320 -0.000 0.000 0.277 12 K C -2.345 174.203 176.600 -0.086 0.000 1.038 12 K CA -1.641 54.614 56.287 -0.053 0.000 0.888 12 K CB 0.725 33.184 32.500 -0.069 0.000 1.091 12 K HN 0.497 nan 8.250 nan 0.000 0.467 13 P HA -0.031 nan 4.420 nan 0.000 0.275 13 P C -0.310 176.921 177.300 -0.114 0.000 1.228 13 P CA -0.370 62.672 63.100 -0.096 0.000 0.786 13 P CB 1.070 32.729 31.700 -0.068 0.000 0.927 14 S N 1.353 116.970 115.700 -0.138 0.000 3.298 14 S HA -0.024 4.446 4.470 -0.000 0.000 0.389 14 S C 1.642 176.171 174.600 -0.118 0.000 1.186 14 S CA 0.208 58.314 58.200 -0.156 0.000 1.034 14 S CB -0.499 62.626 63.200 -0.125 0.000 0.735 14 S HN 0.530 nan 8.310 nan 0.000 0.510 15 A N 4.769 127.495 122.820 -0.157 0.000 1.929 15 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 15 A C 2.327 179.877 177.584 -0.057 0.000 1.176 15 A CA 1.680 53.648 52.037 -0.115 0.000 0.628 15 A CB -1.249 17.649 19.000 -0.170 0.000 0.816 15 A HN 0.986 nan 8.150 nan 0.000 0.444 16 T N -2.404 112.119 114.554 -0.052 0.000 2.777 16 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 16 T C 1.714 176.453 174.700 0.064 0.000 1.040 16 T CA 1.397 63.535 62.100 0.064 0.000 1.141 16 T CB -0.779 68.182 68.868 0.156 0.000 0.868 16 T HN 0.032 nan 8.240 nan 0.000 0.444 17 V N 2.187 122.122 119.914 0.035 0.000 2.343 17 V HA -0.099 4.021 4.120 -0.000 0.000 0.247 17 V C 3.227 179.333 176.094 0.019 0.000 1.051 17 V CA 1.707 64.027 62.300 0.033 0.000 1.036 17 V CB -1.390 30.439 31.823 0.010 0.000 0.654 17 V HN 0.686 nan 8.190 nan 0.000 0.451 18 A N 0.447 123.268 122.820 0.001 0.000 1.877 18 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 18 A C 2.376 179.969 177.584 0.015 0.000 1.186 18 A CA 2.296 54.333 52.037 0.001 0.000 0.620 18 A CB -0.827 18.165 19.000 -0.013 0.000 0.822 18 A HN 0.693 nan 8.150 nan 0.000 0.443 19 V N -1.897 118.033 119.914 0.027 0.000 2.759 19 V HA -0.165 3.955 4.120 -0.000 0.000 0.256 19 V C 1.806 177.925 176.094 0.042 0.000 1.080 19 V CA 2.220 64.543 62.300 0.039 0.000 1.101 19 V CB -0.977 30.880 31.823 0.056 0.000 0.698 19 V HN 0.505 nan 8.190 nan 0.000 0.477 20 N N 1.213 119.941 118.700 0.046 0.000 2.171 20 N HA -0.020 4.720 4.740 -0.000 0.000 0.184 20 N C 1.981 177.510 175.510 0.030 0.000 1.021 20 N CA 1.682 54.759 53.050 0.044 0.000 0.854 20 N CB -0.090 38.429 38.487 0.054 0.000 0.994 20 N HN 0.616 nan 8.380 nan 0.000 0.426 21 A N 1.711 124.546 122.820 0.025 0.000 1.902 21 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 21 A C 2.226 179.819 177.584 0.015 0.000 1.181 21 A CA 1.220 53.267 52.037 0.016 0.000 0.623 21 A CB -0.376 18.631 19.000 0.011 0.000 0.818 21 A HN 0.090 nan 8.150 nan 0.000 0.443 22 K N -0.043 120.368 120.400 0.018 0.000 2.026 22 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 22 K C 2.152 178.763 176.600 0.018 0.000 1.048 22 K CA 1.490 57.787 56.287 0.017 0.000 0.929 22 K CB -0.536 31.976 32.500 0.020 0.000 0.713 22 K HN 0.387 nan 8.250 nan 0.000 0.439 23 A N 0.890 123.724 122.820 0.022 0.000 2.015 23 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 23 A C 2.048 179.641 177.584 0.014 0.000 1.163 23 A CA 0.976 53.025 52.037 0.021 0.000 0.646 23 A CB -0.312 18.704 19.000 0.027 0.000 0.806 23 A HN 0.303 nan 8.150 nan 0.000 0.448 24 L N 0.636 121.867 121.223 0.014 0.000 2.131 24 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 24 L C 2.319 179.193 176.870 0.007 0.000 1.087 24 L CA 2.473 57.319 54.840 0.009 0.000 0.767 24 L CB -0.605 41.461 42.059 0.010 0.000 0.917 24 L HN 0.657 nan 8.230 nan 0.000 0.441 25 E N -0.798 119.407 120.200 0.008 0.000 2.208 25 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 25 E C 2.067 178.670 176.600 0.006 0.000 0.988 25 E CA 1.171 57.575 56.400 0.006 0.000 0.828 25 E CB -0.614 29.089 29.700 0.006 0.000 0.763 25 E HN 0.542 nan 8.360 nan 0.000 0.478 26 L N 0.461 121.689 121.223 0.008 0.000 2.093 26 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 26 L C 2.714 179.587 176.870 0.005 0.000 1.085 26 L CA 1.223 56.068 54.840 0.008 0.000 0.755 26 L CB -0.256 41.810 42.059 0.011 0.000 0.904 26 L HN 0.109 nan 8.230 nan 0.000 0.435 27 R N -0.684 119.818 120.500 0.004 0.000 2.148 27 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 27 R C 2.319 178.619 176.300 -0.000 0.000 1.088 27 R CA 0.506 56.606 56.100 0.001 0.000 0.985 27 R CB -0.070 30.230 30.300 -0.001 0.000 0.880 27 R HN 0.238 nan 8.270 nan 0.000 0.451 28 R N 0.709 121.209 120.500 0.001 0.000 2.115 28 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 28 R C 1.797 178.098 176.300 0.001 0.000 1.100 28 R CA 0.937 57.038 56.100 0.000 0.000 0.980 28 R CB -0.288 30.012 30.300 0.001 0.000 0.875 28 R HN 0.311 nan 8.270 nan 0.000 0.445 29 Q N -0.043 119.758 119.800 0.002 0.000 2.541 29 Q HA 0.040 4.380 4.340 -0.000 0.000 0.215 29 Q C 0.909 176.910 176.000 0.001 0.000 0.977 29 Q CA 0.973 56.777 55.803 0.002 0.000 0.934 29 Q CB 0.041 28.781 28.738 0.004 0.000 0.988 29 Q HN 0.592 nan 8.270 nan 0.000 0.521 30 G N 0.177 108.978 108.800 0.000 0.000 2.176 30 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.253 30 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.253 30 G C 0.286 175.186 174.900 -0.001 0.000 0.979 30 G CA 0.219 45.319 45.100 -0.001 0.000 0.641 30 G HN 0.252 nan 8.290 nan 0.000 0.530 31 V N 1.165 121.079 119.914 0.001 0.000 2.655 31 V HA 0.326 4.446 4.120 -0.000 0.000 0.300 31 V C 0.760 176.853 176.094 -0.001 0.000 1.044 31 V CA 0.439 62.739 62.300 0.001 0.000 1.095 31 V CB 1.529 33.355 31.823 0.004 0.000 0.952 31 V HN 0.370 nan 8.190 nan 0.000 0.485 32 D N 5.180 125.578 120.400 -0.003 0.000 2.483 32 D HA 0.410 5.050 4.640 -0.000 0.000 0.220 32 D C -0.588 175.707 176.300 -0.009 0.000 1.173 32 D CA -0.334 53.662 54.000 -0.007 0.000 0.964 32 D CB -0.105 40.689 40.800 -0.009 0.000 1.046 32 D HN 0.406 nan 8.370 nan 0.000 0.517 33 L N 1.014 122.232 121.223 -0.009 0.000 2.370 33 L HA 0.694 5.034 4.340 -0.000 0.000 0.266 33 L C -0.930 175.929 176.870 -0.018 0.000 1.002 33 L CA -1.270 53.565 54.840 -0.010 0.000 0.818 33 L CB 1.511 43.572 42.059 0.002 0.000 1.325 33 L HN -0.123 nan 8.230 nan 0.000 0.418 34 V N 2.130 122.028 119.914 -0.028 0.000 2.364 34 V HA 0.764 4.884 4.120 -0.000 0.000 0.272 34 V C 0.634 176.716 176.094 -0.021 0.000 1.036 34 V CA -0.242 62.034 62.300 -0.040 0.000 0.880 34 V CB 0.912 32.689 31.823 -0.077 0.000 0.991 34 V HN 1.071 nan 8.190 nan 0.000 0.460 35 A N 6.156 128.967 122.820 -0.015 0.000 2.276 35 A HA 0.709 5.029 4.320 -0.000 0.000 0.300 35 A C 0.115 177.699 177.584 0.000 0.000 1.235 35 A CA -0.305 51.733 52.037 0.002 0.000 0.867 35 A CB 0.209 19.210 19.000 0.002 0.000 1.137 35 A HN 0.887 nan 8.150 nan 0.000 0.527 36 L N 3.140 124.379 121.223 0.027 0.000 3.141 36 L HA 0.133 4.473 4.340 -0.000 0.000 0.267 36 L C 1.464 178.369 176.870 0.058 0.000 1.281 36 L CA 0.395 55.257 54.840 0.037 0.000 1.037 36 L CB 0.182 42.287 42.059 0.077 0.000 1.407 36 L HN 0.933 nan 8.230 nan 0.000 0.566 37 T N -3.883 110.703 114.554 0.054 0.000 3.014 37 T HA 0.266 4.616 4.350 -0.000 0.000 0.250 37 T C 1.022 175.781 174.700 0.098 0.000 1.060 37 T CA 0.165 62.316 62.100 0.085 0.000 1.040 37 T CB 0.340 69.254 68.868 0.078 0.000 0.971 37 T HN 0.186 nan 8.240 nan 0.000 0.497 38 A N 0.923 123.769 122.820 0.043 0.000 2.540 38 A HA 0.552 4.872 4.320 -0.000 0.000 0.239 38 A C 1.193 178.825 177.584 0.081 0.000 1.061 38 A CA 0.111 52.164 52.037 0.027 0.000 0.758 38 A CB -0.235 18.723 19.000 -0.070 0.000 0.991 38 A HN 0.611 nan 8.150 nan 0.000 0.502 39 G N 1.447 110.357 108.800 0.184 0.000 4.044 39 G HA2 0.482 4.442 3.960 -0.000 0.000 0.297 39 G HA3 0.482 4.442 3.960 -0.000 0.000 0.297 39 G C -0.113 175.011 174.900 0.373 0.000 1.101 39 G CA 0.275 45.633 45.100 0.430 0.000 0.884 39 G HN 0.944 nan 8.290 nan 0.000 0.538 40 E N 0.067 120.313 120.200 0.077 0.000 2.366 40 E HA 0.499 4.849 4.350 -0.000 0.000 0.278 40 E C -3.156 173.394 176.600 -0.083 0.000 0.923 40 E CA -2.207 54.272 56.400 0.130 0.000 0.761 40 E CB 1.988 31.770 29.700 0.136 0.000 1.231 40 E HN -0.127 nan 8.360 nan 0.000 0.443 41 P HA -0.038 nan 4.420 nan 0.000 0.266 41 P C -0.024 177.331 177.300 0.090 0.000 1.193 41 P CA 0.125 63.356 63.100 0.218 0.000 0.770 41 P CB 0.512 32.550 31.700 0.563 0.000 0.836 42 D N 1.395 121.757 120.400 -0.064 0.000 2.333 42 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 42 D C 0.281 176.507 176.300 -0.124 0.000 0.984 42 D CA 0.360 54.257 54.000 -0.172 0.000 0.873 42 D CB -0.203 40.417 40.800 -0.301 0.000 0.935 42 D HN 0.236 nan 8.370 nan 0.000 0.521 43 F N 1.828 121.899 119.950 0.202 0.000 2.450 43 F HA 0.209 4.736 4.527 -0.000 0.000 0.339 43 F C 1.253 177.201 175.800 0.246 0.000 1.146 43 F CA -0.631 57.519 58.000 0.250 0.000 1.267 43 F CB 0.365 39.602 39.000 0.394 0.000 1.178 43 F HN -0.253 nan 8.300 nan 0.000 0.585 44 D N -0.068 120.564 120.400 0.387 0.000 2.411 44 D HA 0.092 4.732 4.640 -0.000 0.000 0.251 44 D C -0.168 176.244 176.300 0.187 0.000 1.201 44 D CA -0.246 53.902 54.000 0.246 0.000 0.996 44 D CB 1.097 42.002 40.800 0.175 0.000 1.101 44 D HN 0.554 nan 8.370 nan 0.000 0.504 45 T N 0.035 114.667 114.554 0.130 0.000 2.884 45 T HA 0.342 4.692 4.350 -0.000 0.000 0.298 45 T C -2.249 172.331 174.700 -0.199 0.000 0.998 45 T CA -1.288 60.783 62.100 -0.048 0.000 1.124 45 T CB 0.978 69.903 68.868 0.096 0.000 0.931 45 T HN 0.197 nan 8.240 nan 0.000 0.531 46 P HA 0.044 nan 4.420 nan 0.000 0.266 46 P C 0.847 178.034 177.300 -0.188 0.000 1.193 46 P CA -0.078 62.805 63.100 -0.362 0.000 0.770 46 P CB 0.668 32.100 31.700 -0.445 0.000 0.836 47 E N 1.660 121.848 120.200 -0.020 0.000 2.085 47 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 47 E C 1.907 178.503 176.600 -0.006 0.000 0.994 47 E CA 1.465 57.871 56.400 0.009 0.000 0.801 47 E CB -0.690 29.040 29.700 0.049 0.000 0.743 47 E HN 0.660 nan 8.360 nan 0.000 0.453 48 H N -0.181 118.832 119.070 -0.095 0.000 2.387 48 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 48 H C 2.098 177.353 175.328 -0.122 0.000 1.099 48 H CA 1.342 57.331 56.048 -0.099 0.000 1.315 48 H CB -0.862 28.833 29.762 -0.112 0.000 1.380 48 H HN -0.025 nan 8.280 nan 0.000 0.513 49 V N 1.683 121.175 119.914 -0.704 0.000 2.358 49 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 49 V C 2.643 178.582 176.094 -0.259 0.000 1.047 49 V CA 1.980 63.924 62.300 -0.594 0.000 1.035 49 V CB -0.423 30.923 31.823 -0.794 0.000 0.658 49 V HN 0.339 nan 8.190 nan 0.000 0.452 50 K N -0.418 119.920 120.400 -0.104 0.000 2.097 50 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 50 K C 2.228 178.870 176.600 0.069 0.000 1.049 50 K CA 1.162 57.511 56.287 0.104 0.000 0.933 50 K CB -0.172 32.395 32.500 0.112 0.000 0.717 50 K HN 0.349 nan 8.250 nan 0.000 0.442 51 E N 0.796 121.004 120.200 0.014 0.000 2.077 51 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 51 E C 2.027 178.636 176.600 0.015 0.000 0.989 51 E CA 1.104 57.515 56.400 0.018 0.000 0.800 51 E CB -0.114 29.595 29.700 0.015 0.000 0.746 51 E HN 0.290 nan 8.360 nan 0.000 0.452 52 A N 1.126 123.944 122.820 -0.003 0.000 1.972 52 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 52 A C 2.355 179.974 177.584 0.058 0.000 1.169 52 A CA 1.957 54.002 52.037 0.014 0.000 0.635 52 A CB -0.415 18.577 19.000 -0.014 0.000 0.810 52 A HN 0.273 nan 8.150 nan 0.000 0.446 53 A N -0.201 122.679 122.820 0.099 0.000 1.872 53 A HA -0.095 4.224 4.320 -0.000 0.000 0.214 53 A C 2.228 179.872 177.584 0.100 0.000 1.187 53 A CA 1.328 53.475 52.037 0.183 0.000 0.614 53 A CB -0.417 18.806 19.000 0.372 0.000 0.826 53 A HN 0.526 nan 8.150 nan 0.000 0.442 54 R N -0.894 119.647 120.500 0.069 0.000 2.096 54 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 54 R C 2.473 178.769 176.300 -0.006 0.000 1.127 54 R CA 1.521 57.637 56.100 0.027 0.000 0.968 54 R CB -0.275 30.038 30.300 0.021 0.000 0.861 54 R HN 0.589 nan 8.270 nan 0.000 0.440 55 R N 0.706 121.196 120.500 -0.016 0.000 2.092 55 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 55 R C 2.104 178.338 176.300 -0.109 0.000 1.119 55 R CA 1.428 57.493 56.100 -0.057 0.000 0.970 55 R CB -0.160 30.106 30.300 -0.056 0.000 0.864 55 R HN 0.207 nan 8.270 nan 0.000 0.440 56 A N 1.047 123.803 122.820 -0.106 0.000 1.873 56 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 56 A C 2.173 179.688 177.584 -0.114 0.000 1.186 56 A CA 1.042 52.965 52.037 -0.190 0.000 0.616 56 A CB -0.570 18.369 19.000 -0.103 0.000 0.823 56 A HN 0.353 nan 8.150 nan 0.000 0.442 57 L N -0.675 120.523 121.223 -0.041 0.000 2.013 57 L HA -0.266 4.073 4.340 -0.000 0.000 0.212 57 L C 3.107 179.947 176.870 -0.050 0.000 1.073 57 L CA 1.350 56.172 54.840 -0.030 0.000 0.753 57 L CB -0.479 41.573 42.059 -0.010 0.000 0.890 57 L HN 0.464 nan 8.230 nan 0.000 0.432 58 A N -0.925 121.862 122.820 -0.055 0.000 1.972 58 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 58 A C 2.031 179.571 177.584 -0.074 0.000 1.169 58 A CA 1.330 53.333 52.037 -0.056 0.000 0.635 58 A CB -0.373 18.597 19.000 -0.050 0.000 0.810 58 A HN 0.533 nan 8.150 nan 0.000 0.446 59 Q N -1.314 118.421 119.800 -0.109 0.000 2.444 59 Q HA 0.261 4.601 4.340 -0.000 0.000 0.206 59 Q C 0.919 176.848 176.000 -0.118 0.000 0.948 59 Q CA 0.268 55.992 55.803 -0.130 0.000 0.946 59 Q CB 0.022 28.639 28.738 -0.202 0.000 1.027 59 Q HN 0.838 nan 8.270 nan 0.000 0.513 60 G N 1.959 110.704 108.800 -0.091 0.000 2.221 60 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.265 60 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.265 60 G C -0.145 174.716 174.900 -0.066 0.000 1.041 60 G CA 0.062 45.122 45.100 -0.067 0.000 0.807 60 G HN 0.264 nan 8.290 nan 0.000 0.502 61 K N 0.991 121.334 120.400 -0.095 0.000 2.502 61 K HA 0.342 4.662 4.320 -0.000 0.000 0.244 61 K C 1.339 177.961 176.600 0.037 0.000 1.249 61 K CA 0.518 56.771 56.287 -0.056 0.000 1.193 61 K CB 0.032 32.386 32.500 -0.243 0.000 1.674 61 K HN 0.406 nan 8.250 nan 0.000 0.302 62 T N -2.458 112.107 114.554 0.018 0.000 3.145 62 T HA 0.189 4.539 4.350 -0.000 0.000 0.281 62 T C 0.449 175.137 174.700 -0.020 0.000 1.003 62 T CA -0.628 61.478 62.100 0.011 0.000 0.901 62 T CB 0.343 69.199 68.868 -0.020 0.000 1.112 62 T HN -0.044 nan 8.240 nan 0.000 0.535 63 K N 1.023 121.426 120.400 0.006 0.000 2.240 63 K HA 0.425 4.745 4.320 -0.000 0.000 0.237 63 K C -0.516 176.103 176.600 0.031 0.000 1.027 63 K CA -0.858 55.405 56.287 -0.040 0.000 0.937 63 K CB 0.462 32.971 32.500 0.015 0.000 1.171 63 K HN 0.148 nan 8.250 nan 0.000 0.479 64 Y N 0.335 120.669 120.300 0.056 0.000 2.597 64 Y HA 0.127 4.676 4.550 -0.000 0.000 0.336 64 Y C 0.885 176.822 175.900 0.061 0.000 1.216 64 Y CA 0.073 58.206 58.100 0.053 0.000 1.463 64 Y CB 0.185 38.669 38.460 0.041 0.000 1.303 64 Y HN 0.528 nan 8.280 nan 0.000 0.576 65 A N 5.158 128.120 122.820 0.237 0.000 2.281 65 A HA 0.728 5.048 4.320 -0.000 0.000 0.329 65 A C -2.571 175.068 177.584 0.092 0.000 1.122 65 A CA -2.086 50.034 52.037 0.138 0.000 0.850 65 A CB 0.415 19.472 19.000 0.095 0.000 1.207 65 A HN 0.520 nan 8.150 nan 0.000 0.495 66 P HA 0.193 nan 4.420 nan 0.000 0.270 66 P C -2.034 175.275 177.300 0.015 0.000 1.223 66 P CA -0.962 62.152 63.100 0.025 0.000 0.785 66 P CB 0.132 31.842 31.700 0.016 0.000 0.923 67 P HA -0.209 nan 4.420 nan 0.000 0.216 67 P C 0.933 178.241 177.300 0.013 0.000 1.150 67 P CA 1.974 65.076 63.100 0.004 0.000 0.843 67 P CB -0.244 31.453 31.700 -0.005 0.000 0.787 68 A N -1.691 121.134 122.820 0.009 0.000 2.218 68 A HA 0.504 4.823 4.320 -0.000 0.000 0.209 68 A C 1.045 178.634 177.584 0.009 0.000 1.168 68 A CA 0.833 52.877 52.037 0.011 0.000 0.804 68 A CB -0.663 18.340 19.000 0.006 0.000 0.834 68 A HN 0.324 nan 8.150 nan 0.000 0.482 69 G N -0.483 108.317 108.800 0.001 0.000 2.515 69 G HA2 0.108 4.068 3.960 -0.000 0.000 0.686 69 G HA3 0.108 4.068 3.960 -0.000 0.000 0.686 69 G C -0.185 174.682 174.900 -0.055 0.000 1.274 69 G CA -0.550 44.537 45.100 -0.022 0.000 0.874 69 G HN 1.246 nan 8.290 nan 0.000 0.631 70 I N -0.636 119.865 120.570 -0.116 0.000 2.710 70 I HA 0.358 4.528 4.170 -0.000 0.000 0.286 70 I C -0.970 175.053 176.117 -0.157 0.000 1.181 70 I CA -1.411 59.794 61.300 -0.158 0.000 1.430 70 I CB 0.794 38.579 38.000 -0.359 0.000 1.367 70 I HN 0.274 nan 8.210 nan 0.000 0.577 71 P HA -0.202 nan 4.420 nan 0.000 0.216 71 P C 1.120 178.359 177.300 -0.103 0.000 1.154 71 P CA 1.662 64.721 63.100 -0.070 0.000 0.865 71 P CB 0.164 31.846 31.700 -0.028 0.000 0.789 72 E N -0.759 119.347 120.200 -0.156 0.000 2.085 72 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 72 E C 2.035 178.511 176.600 -0.207 0.000 0.994 72 E CA 0.871 57.167 56.400 -0.174 0.000 0.801 72 E CB -1.054 28.494 29.700 -0.252 0.000 0.743 72 E HN 0.199 nan 8.360 nan 0.000 0.453 73 L N 0.284 121.341 121.223 -0.276 0.000 2.109 73 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 73 L C 2.217 178.984 176.870 -0.171 0.000 1.086 73 L CA 1.124 55.819 54.840 -0.242 0.000 0.760 73 L CB -0.039 41.869 42.059 -0.251 0.000 0.910 73 L HN 0.105 nan 8.230 nan 0.000 0.437 74 R N -0.284 120.142 120.500 -0.123 0.000 2.120 74 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 74 R C 1.979 178.244 176.300 -0.059 0.000 1.123 74 R CA 1.408 57.467 56.100 -0.068 0.000 0.975 74 R CB -0.199 30.077 30.300 -0.040 0.000 0.866 74 R HN 0.506 nan 8.270 nan 0.000 0.446 75 E N 0.492 120.650 120.200 -0.071 0.000 2.107 75 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 75 E C 2.004 178.562 176.600 -0.070 0.000 0.982 75 E CA 0.973 57.341 56.400 -0.053 0.000 0.809 75 E CB -0.025 29.648 29.700 -0.045 0.000 0.756 75 E HN 0.343 nan 8.360 nan 0.000 0.459 76 A N 1.005 123.759 122.820 -0.110 0.000 1.968 76 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 76 A C 2.049 179.518 177.584 -0.191 0.000 1.169 76 A CA 0.749 52.703 52.037 -0.139 0.000 0.638 76 A CB -0.201 18.701 19.000 -0.163 0.000 0.812 76 A HN 0.093 nan 8.150 nan 0.000 0.446 77 L N -0.406 120.693 121.223 -0.206 0.000 2.056 77 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 77 L C 2.936 179.758 176.870 -0.079 0.000 1.078 77 L CA 1.819 56.497 54.840 -0.270 0.000 0.749 77 L CB -1.376 40.587 42.059 -0.161 0.000 0.901 77 L HN 0.399 nan 8.230 nan 0.000 0.433 78 A N -0.737 122.096 122.820 0.022 0.000 1.908 78 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 78 A C 2.290 179.903 177.584 0.048 0.000 1.181 78 A CA 1.893 53.981 52.037 0.086 0.000 0.627 78 A CB -0.520 18.504 19.000 0.040 0.000 0.818 78 A HN 0.430 nan 8.150 nan 0.000 0.445 79 E N 0.294 120.482 120.200 -0.021 0.000 2.106 79 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 79 E C 2.037 178.605 176.600 -0.053 0.000 0.984 79 E CA 1.677 58.059 56.400 -0.031 0.000 0.806 79 E CB -0.199 29.472 29.700 -0.048 0.000 0.750 79 E HN 0.511 nan 8.360 nan 0.000 0.458 80 K N -0.311 120.006 120.400 -0.140 0.000 2.025 80 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 80 K C 1.907 178.414 176.600 -0.156 0.000 1.049 80 K CA 1.284 57.450 56.287 -0.202 0.000 0.933 80 K CB -0.476 31.789 32.500 -0.392 0.000 0.714 80 K HN 0.181 nan 8.250 nan 0.000 0.438 81 F N 1.707 121.641 119.950 -0.027 0.000 2.216 81 F HA -0.051 4.476 4.527 -0.000 0.000 0.300 81 F C 2.781 178.572 175.800 -0.016 0.000 1.085 81 F CA 1.254 59.245 58.000 -0.015 0.000 1.326 81 F CB -0.468 38.521 39.000 -0.019 0.000 1.027 81 F HN 0.126 nan 8.300 nan 0.000 0.497 82 R N 0.555 121.142 120.500 0.146 0.000 2.055 82 R HA -0.116 4.224 4.340 -0.000 0.000 0.228 82 R C 2.515 178.846 176.300 0.053 0.000 1.143 82 R CA 1.368 57.516 56.100 0.081 0.000 0.945 82 R CB -0.363 29.969 30.300 0.054 0.000 0.841 82 R HN 0.163 nan 8.270 nan 0.000 0.429 83 R N 0.536 121.055 120.500 0.033 0.000 2.073 83 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 83 R C 1.815 178.139 176.300 0.039 0.000 1.134 83 R CA 2.028 58.143 56.100 0.025 0.000 0.952 83 R CB -0.077 30.228 30.300 0.008 0.000 0.850 83 R HN 0.388 nan 8.270 nan 0.000 0.433 84 E N -0.804 119.421 120.200 0.042 0.000 2.230 84 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 84 E C 0.951 177.601 176.600 0.083 0.000 0.987 84 E CA 0.999 57.440 56.400 0.069 0.000 0.841 84 E CB 0.207 29.953 29.700 0.077 0.000 0.783 84 E HN 0.541 nan 8.360 nan 0.000 0.481 85 N N -1.218 117.536 118.700 0.089 0.000 2.210 85 N HA 0.116 4.856 4.740 -0.000 0.000 0.203 85 N C 0.774 176.282 175.510 -0.002 0.000 1.175 85 N CA 0.380 53.473 53.050 0.071 0.000 0.894 85 N CB 1.755 40.331 38.487 0.149 0.000 1.041 85 N HN 0.138 nan 8.380 nan 0.000 0.506 86 G N 0.511 109.324 108.800 0.021 0.000 2.157 86 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 86 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 86 G C -0.390 174.502 174.900 -0.013 0.000 0.979 86 G CA -0.248 44.849 45.100 -0.005 0.000 0.650 86 G HN 0.050 nan 8.290 nan 0.000 0.529 87 L N 1.325 122.555 121.223 0.011 0.000 2.371 87 L HA 0.586 4.926 4.340 -0.000 0.000 0.272 87 L C 1.156 178.037 176.870 0.019 0.000 1.124 87 L CA 0.149 54.987 54.840 -0.003 0.000 0.816 87 L CB 1.592 43.645 42.059 -0.010 0.000 1.129 87 L HN 0.059 nan 8.230 nan 0.000 0.448 88 S N 1.534 117.234 115.700 0.000 0.000 2.945 88 S HA 0.253 4.723 4.470 -0.000 0.000 0.227 88 S C 0.170 174.773 174.600 0.005 0.000 1.353 88 S CA -0.585 57.620 58.200 0.008 0.000 1.236 88 S CB -0.313 62.889 63.200 0.004 0.000 1.069 88 S HN 0.431 nan 8.310 nan 0.000 0.509 89 V N 0.043 119.964 119.914 0.012 0.000 3.170 89 V HA 0.797 4.917 4.120 -0.000 0.000 0.309 89 V C 0.451 176.558 176.094 0.022 0.000 1.071 89 V CA -0.731 61.571 62.300 0.004 0.000 1.063 89 V CB 0.982 32.795 31.823 -0.016 0.000 1.123 89 V HN 0.445 nan 8.190 nan 0.000 0.464 90 T N -1.936 112.626 114.554 0.013 0.000 2.926 90 T HA 0.596 4.946 4.350 -0.000 0.000 0.289 90 T C -2.176 172.535 174.700 0.017 0.000 1.054 90 T CA -1.967 60.142 62.100 0.014 0.000 1.015 90 T CB 1.707 70.578 68.868 0.005 0.000 1.167 90 T HN 0.439 nan 8.240 nan 0.000 0.526 91 P HA -0.049 nan 4.420 nan 0.000 0.218 91 P C 0.913 178.217 177.300 0.007 0.000 1.148 91 P CA 1.004 64.110 63.100 0.009 0.000 0.822 91 P CB -0.012 31.686 31.700 -0.003 0.000 0.784 92 E N -0.338 119.863 120.200 0.002 0.000 2.409 92 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 92 E C 0.768 177.365 176.600 -0.005 0.000 1.024 92 E CA 0.816 57.215 56.400 -0.001 0.000 0.861 92 E CB -0.633 29.066 29.700 -0.003 0.000 0.788 92 E HN 0.481 nan 8.360 nan 0.000 0.521 93 E N -0.029 120.168 120.200 -0.006 0.000 2.499 93 E HA 0.169 4.519 4.350 -0.000 0.000 0.207 93 E C -0.436 176.151 176.600 -0.021 0.000 1.034 93 E CA -0.043 56.345 56.400 -0.021 0.000 1.098 93 E CB 0.850 30.532 29.700 -0.031 0.000 1.148 93 E HN -0.090 nan 8.360 nan 0.000 0.447 94 T N 0.965 115.524 114.554 0.010 0.000 2.906 94 T HA 0.621 4.971 4.350 -0.000 0.000 0.295 94 T C -1.137 173.592 174.700 0.048 0.000 1.061 94 T CA -0.474 61.657 62.100 0.052 0.000 1.000 94 T CB 1.797 70.718 68.868 0.087 0.000 1.103 94 T HN 0.097 nan 8.240 nan 0.000 0.486 95 I N 1.891 122.512 120.570 0.085 0.000 2.841 95 I HA 0.631 4.801 4.170 -0.000 0.000 0.298 95 I C -1.633 174.557 176.117 0.122 0.000 1.304 95 I CA -0.846 60.496 61.300 0.071 0.000 1.019 95 I CB 1.803 39.827 38.000 0.039 0.000 1.282 95 I HN 0.360 nan 8.210 nan 0.000 0.432 96 V N 4.922 124.893 119.914 0.095 0.000 2.459 96 V HA 0.672 4.792 4.120 -0.000 0.000 0.295 96 V C 0.104 176.250 176.094 0.087 0.000 1.029 96 V CA -0.279 62.095 62.300 0.123 0.000 0.874 96 V CB 1.605 33.480 31.823 0.085 0.000 0.985 96 V HN 0.852 nan 8.190 nan 0.000 0.438 97 T N 0.304 114.910 114.554 0.085 0.000 2.887 97 T HA 0.560 4.910 4.350 -0.000 0.000 0.292 97 T C -0.395 174.335 174.700 0.050 0.000 1.087 97 T CA -0.764 61.371 62.100 0.058 0.000 1.009 97 T CB 1.697 70.594 68.868 0.049 0.000 1.203 97 T HN 0.196 nan 8.240 nan 0.000 0.518 98 V N 2.218 122.157 119.914 0.042 0.000 2.157 98 V HA 0.522 4.642 4.120 -0.000 0.000 0.241 98 V C 1.323 177.433 176.094 0.026 0.000 1.349 98 V CA 0.907 63.230 62.300 0.037 0.000 1.319 98 V CB -1.346 30.491 31.823 0.023 0.000 1.421 98 V HN 1.488 nan 8.190 nan 0.000 0.501 99 G N 3.382 112.192 108.800 0.017 0.000 2.730 99 G HA2 0.026 3.986 3.960 -0.000 0.000 0.686 99 G HA3 0.026 3.986 3.960 -0.000 0.000 0.686 99 G C 0.677 175.558 174.900 -0.032 0.000 1.343 99 G CA -0.353 44.741 45.100 -0.010 0.000 0.826 99 G HN 0.890 nan 8.290 nan 0.000 0.582 100 G N -0.214 108.539 108.800 -0.077 0.000 2.443 100 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.219 100 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.219 100 G C 1.540 176.465 174.900 0.042 0.000 1.131 100 G CA 1.675 46.732 45.100 -0.071 0.000 0.775 100 G HN 0.953 nan 8.290 nan 0.000 0.547 101 K N -0.042 120.417 120.400 0.099 0.000 2.097 101 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 101 K C 2.380 179.079 176.600 0.165 0.000 1.049 101 K CA 1.340 57.753 56.287 0.210 0.000 0.933 101 K CB -0.153 32.478 32.500 0.219 0.000 0.717 101 K HN 0.369 nan 8.250 nan 0.000 0.442 102 Q N -0.427 119.429 119.800 0.093 0.000 2.311 102 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 102 Q C 1.716 177.791 176.000 0.125 0.000 0.954 102 Q CA 0.820 56.685 55.803 0.104 0.000 0.885 102 Q CB 0.090 28.851 28.738 0.039 0.000 0.963 102 Q HN 0.425 nan 8.270 nan 0.000 0.471 103 A N 0.681 123.542 122.820 0.068 0.000 1.873 103 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 103 A C 1.987 179.554 177.584 -0.028 0.000 1.186 103 A CA 0.928 52.977 52.037 0.020 0.000 0.616 103 A CB -0.564 18.434 19.000 -0.003 0.000 0.823 103 A HN 0.384 nan 8.150 nan 0.000 0.442 104 L N -2.155 119.066 121.223 -0.004 0.000 2.027 104 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 104 L C 2.475 179.265 176.870 -0.133 0.000 1.074 104 L CA 1.606 56.357 54.840 -0.148 0.000 0.745 104 L CB -0.564 41.560 42.059 0.109 0.000 0.898 104 L HN 0.507 nan 8.230 nan 0.000 0.433 105 F N 1.108 121.059 119.950 0.001 0.000 2.075 105 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 105 F C 2.256 178.090 175.800 0.056 0.000 1.113 105 F CA 1.919 59.976 58.000 0.096 0.000 1.218 105 F CB -0.414 38.630 39.000 0.074 0.000 0.984 105 F HN 0.091 nan 8.300 nan 0.000 0.472 106 N N 0.579 119.414 118.700 0.225 0.000 2.223 106 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 106 N C 2.099 177.567 175.510 -0.070 0.000 1.016 106 N CA 0.861 53.963 53.050 0.087 0.000 0.863 106 N CB -0.152 38.404 38.487 0.115 0.000 0.983 106 N HN 0.366 nan 8.380 nan 0.000 0.429 107 L N 0.471 121.593 121.223 -0.167 0.000 1.955 107 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 107 L C 1.790 178.538 176.870 -0.202 0.000 1.072 107 L CA 1.759 56.429 54.840 -0.283 0.000 0.755 107 L CB -0.393 41.350 42.059 -0.526 0.000 0.888 107 L HN 0.065 nan 8.230 nan 0.000 0.432 108 F N 0.231 120.119 119.950 -0.104 0.000 2.161 108 F HA -0.250 4.277 4.527 -0.000 0.000 0.300 108 F C 2.824 178.530 175.800 -0.156 0.000 1.089 108 F CA 0.974 58.901 58.000 -0.121 0.000 1.282 108 F CB -0.987 37.943 39.000 -0.117 0.000 1.010 108 F HN 0.245 nan 8.300 nan 0.000 0.485 109 Q N -0.382 119.385 119.800 -0.056 0.000 2.291 109 Q HA -0.019 4.321 4.340 -0.000 0.000 0.205 109 Q C 2.333 178.306 176.000 -0.044 0.000 0.970 109 Q CA 1.229 56.968 55.803 -0.106 0.000 0.876 109 Q CB -0.544 28.075 28.738 -0.198 0.000 0.935 109 Q HN 0.452 nan 8.270 nan 0.000 0.455 110 A N 0.533 123.329 122.820 -0.039 0.000 2.095 110 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 110 A C 1.770 179.345 177.584 -0.016 0.000 1.162 110 A CA 0.380 52.397 52.037 -0.033 0.000 0.753 110 A CB -0.026 18.940 19.000 -0.057 0.000 0.840 110 A HN 0.412 nan 8.150 nan 0.000 0.468 111 I N -4.270 116.303 120.570 0.004 0.000 4.240 111 I HA 0.428 4.598 4.170 -0.000 0.000 0.331 111 I C -0.533 175.644 176.117 0.099 0.000 1.381 111 I CA -0.194 61.140 61.300 0.057 0.000 1.136 111 I CB 0.369 38.380 38.000 0.019 0.000 1.137 111 I HN -0.114 nan 8.210 nan 0.000 0.411 112 L N 2.897 124.161 121.223 0.069 0.000 2.287 112 L HA 0.539 4.879 4.340 -0.000 0.000 0.287 112 L C -0.861 176.012 176.870 0.005 0.000 1.022 112 L CA -0.314 54.550 54.840 0.040 0.000 0.814 112 L CB 1.219 43.287 42.059 0.014 0.000 1.217 112 L HN 0.114 nan 8.230 nan 0.000 0.420 113 D N 4.170 124.572 120.400 0.004 0.000 2.181 113 D HA 0.342 4.982 4.640 -0.000 0.000 0.248 113 D C -2.377 173.907 176.300 -0.026 0.000 1.020 113 D CA -1.430 52.564 54.000 -0.011 0.000 0.891 113 D CB 2.100 42.900 40.800 -0.000 0.000 1.187 113 D HN 0.153 nan 8.370 nan 0.000 0.443 114 P HA 0.091 nan 4.420 nan 0.000 0.262 114 P C 0.724 178.001 177.300 -0.039 0.000 1.182 114 P CA 0.750 63.822 63.100 -0.047 0.000 0.761 114 P CB 0.511 32.182 31.700 -0.047 0.000 0.795 115 G N 2.150 110.922 108.800 -0.047 0.000 2.234 115 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.235 115 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.235 115 G C -0.010 174.865 174.900 -0.042 0.000 0.997 115 G CA -0.370 44.705 45.100 -0.042 0.000 0.623 115 G HN 0.493 nan 8.290 nan 0.000 0.514 116 D N 1.936 122.313 120.400 -0.039 0.000 2.424 116 D HA 0.418 5.058 4.640 -0.000 0.000 0.244 116 D C 0.724 176.987 176.300 -0.062 0.000 1.134 116 D CA 0.470 54.449 54.000 -0.035 0.000 0.881 116 D CB 0.663 41.456 40.800 -0.011 0.000 1.191 116 D HN 0.578 nan 8.370 nan 0.000 0.445 117 E N 0.339 120.496 120.200 -0.072 0.000 2.242 117 E HA 0.478 4.828 4.350 -0.000 0.000 0.275 117 E C -0.726 175.797 176.600 -0.129 0.000 1.002 117 E CA -0.861 55.477 56.400 -0.103 0.000 0.841 117 E CB 1.941 31.579 29.700 -0.104 0.000 1.109 117 E HN 0.055 nan 8.360 nan 0.000 0.394 118 V N 4.083 123.906 119.914 -0.151 0.000 2.482 118 V HA 0.280 4.400 4.120 -0.000 0.000 0.295 118 V C -0.235 175.762 176.094 -0.161 0.000 1.026 118 V CA -0.640 61.563 62.300 -0.162 0.000 0.856 118 V CB 1.251 32.946 31.823 -0.212 0.000 1.001 118 V HN 0.584 nan 8.190 nan 0.000 0.424 119 I N 5.035 125.507 120.570 -0.163 0.000 2.416 119 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 119 I C -0.326 175.750 176.117 -0.070 0.000 1.051 119 I CA -0.160 61.069 61.300 -0.118 0.000 1.375 119 I CB 1.260 39.178 38.000 -0.138 0.000 1.407 119 I HN 0.256 nan 8.210 nan 0.000 0.516 120 V N 7.618 127.511 119.914 -0.035 0.000 2.531 120 V HA 0.360 4.480 4.120 -0.000 0.000 0.301 120 V C -0.023 176.172 176.094 0.168 0.000 1.034 120 V CA -0.650 61.660 62.300 0.015 0.000 0.865 120 V CB 2.013 33.765 31.823 -0.118 0.000 0.995 120 V HN 0.460 nan 8.190 nan 0.000 0.424 121 L N 4.866 126.227 121.223 0.229 0.000 2.281 121 L HA 0.497 4.837 4.340 -0.000 0.000 0.285 121 L C 0.621 177.707 176.870 0.360 0.000 1.074 121 L CA 0.057 55.050 54.840 0.256 0.000 0.817 121 L CB 1.304 43.492 42.059 0.216 0.000 1.168 121 L HN 0.775 nan 8.230 nan 0.000 0.434 122 S N 3.292 119.162 115.700 0.284 0.000 2.578 122 S HA 0.608 5.078 4.470 -0.000 0.000 0.283 122 S C -2.607 172.024 174.600 0.051 0.000 1.195 122 S CA -1.731 56.523 58.200 0.090 0.000 1.050 122 S CB 1.545 64.718 63.200 -0.044 0.000 1.012 122 S HN 0.275 nan 8.310 nan 0.000 0.511 123 P HA 0.210 nan 4.420 nan 0.000 0.267 123 P C -1.062 176.197 177.300 -0.068 0.000 1.205 123 P CA 0.045 62.995 63.100 -0.251 0.000 0.765 123 P CB -0.138 31.352 31.700 -0.350 0.000 0.828 124 Y N 0.784 121.200 120.300 0.193 0.000 2.587 124 Y HA 0.618 5.168 4.550 -0.000 0.000 0.337 124 Y C -0.547 175.544 175.900 0.320 0.000 1.065 124 Y CA -2.427 55.855 58.100 0.304 0.000 1.126 124 Y CB 0.195 38.860 38.460 0.342 0.000 1.279 124 Y HN 0.352 nan 8.280 nan 0.000 0.489 125 W N 3.251 124.707 121.300 0.260 0.000 2.308 125 W HA 0.321 4.981 4.660 -0.000 0.000 0.324 125 W C 0.747 177.175 176.519 -0.151 0.000 1.387 125 W CA -0.801 56.517 57.345 -0.044 0.000 1.250 125 W CB 0.775 29.988 29.460 -0.412 0.000 1.257 125 W HN 0.609 nan 8.180 nan 0.000 0.554 126 V N 4.496 124.071 119.914 -0.564 0.000 2.313 126 V HA -0.440 3.680 4.120 -0.000 0.000 0.261 126 V C 2.168 177.819 176.094 -0.738 0.000 1.096 126 V CA 2.836 64.698 62.300 -0.731 0.000 1.090 126 V CB -1.078 30.235 31.823 -0.850 0.000 0.683 126 V HN 0.770 nan 8.190 nan 0.000 0.452 127 S N -2.279 112.647 115.700 -1.290 0.000 2.461 127 S HA -0.057 4.413 4.470 -0.000 0.000 0.228 127 S C 1.673 175.994 174.600 -0.466 0.000 1.005 127 S CA 0.670 58.281 58.200 -0.982 0.000 0.942 127 S CB -0.262 62.075 63.200 -1.438 0.000 0.776 127 S HN 0.624 nan 8.310 nan 0.000 0.514 128 Y N 1.668 121.796 120.300 -0.287 0.000 2.081 128 Y HA -0.066 4.484 4.550 -0.000 0.000 0.280 128 Y C -0.444 175.292 175.900 -0.273 0.000 1.163 128 Y CA 0.533 58.567 58.100 -0.110 0.000 1.135 128 Y CB -2.322 36.127 38.460 -0.017 0.000 0.970 128 Y HN 0.260 nan 8.280 nan 0.000 0.498 129 P HA -0.114 nan 4.420 nan 0.000 0.216 129 P C 1.496 178.684 177.300 -0.187 0.000 1.153 129 P CA 1.768 64.701 63.100 -0.279 0.000 0.848 129 P CB 0.087 31.578 31.700 -0.348 0.000 0.787 130 E N -0.821 119.280 120.200 -0.165 0.000 2.077 130 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 130 E C 2.029 178.609 176.600 -0.034 0.000 0.989 130 E CA 1.297 57.635 56.400 -0.102 0.000 0.800 130 E CB -0.825 28.788 29.700 -0.145 0.000 0.746 130 E HN 0.355 nan 8.360 nan 0.000 0.452 131 M N 0.162 119.745 119.600 -0.028 0.000 2.175 131 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 131 M C 2.402 178.643 176.300 -0.098 0.000 1.063 131 M CA 0.871 56.219 55.300 0.080 0.000 1.119 131 M CB -0.198 32.588 32.600 0.310 0.000 1.377 131 M HN -0.074 nan 8.290 nan 0.000 0.415 132 V N 0.527 120.221 119.914 -0.367 0.000 2.287 132 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 132 V C 2.319 178.268 176.094 -0.242 0.000 1.053 132 V CA 1.930 63.911 62.300 -0.532 0.000 1.027 132 V CB -0.718 30.770 31.823 -0.558 0.000 0.646 132 V HN 0.443 nan 8.190 nan 0.000 0.447 133 R N -1.296 119.121 120.500 -0.139 0.000 2.115 133 R HA -0.096 4.244 4.340 -0.000 0.000 0.226 133 R C 2.207 178.503 176.300 -0.007 0.000 1.100 133 R CA 1.435 57.492 56.100 -0.071 0.000 0.980 133 R CB -0.433 29.837 30.300 -0.049 0.000 0.875 133 R HN 0.482 nan 8.270 nan 0.000 0.445 134 F N 1.245 121.139 119.950 -0.093 0.000 2.269 134 F HA -0.096 4.431 4.527 -0.000 0.000 0.301 134 F C 1.996 177.748 175.800 -0.080 0.000 1.082 134 F CA 1.173 59.143 58.000 -0.050 0.000 1.360 134 F CB 0.044 39.054 39.000 0.017 0.000 1.041 134 F HN -0.042 nan 8.300 nan 0.000 0.512 135 A N -0.886 121.917 122.820 -0.028 0.000 2.275 135 A HA 0.439 4.759 4.320 -0.000 0.000 0.212 135 A C 1.816 179.331 177.584 -0.113 0.000 1.201 135 A CA 0.717 52.694 52.037 -0.099 0.000 0.843 135 A CB -0.954 18.001 19.000 -0.075 0.000 0.873 135 A HN 0.788 nan 8.150 nan 0.000 0.492 136 G N -2.002 106.728 108.800 -0.118 0.000 2.176 136 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.232 136 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.232 136 G C 0.731 175.575 174.900 -0.093 0.000 0.986 136 G CA 0.201 45.239 45.100 -0.104 0.000 0.643 136 G HN 1.302 nan 8.290 nan 0.000 0.522 137 G N -1.111 107.621 108.800 -0.113 0.000 2.588 137 G HA2 0.642 4.602 3.960 -0.000 0.000 0.281 137 G HA3 0.642 4.602 3.960 -0.000 0.000 0.281 137 G C -0.317 174.510 174.900 -0.121 0.000 1.236 137 G CA 0.087 45.115 45.100 -0.120 0.000 0.969 137 G HN 0.972 nan 8.290 nan 0.000 0.504 138 V N -0.110 119.734 119.914 -0.117 0.000 2.495 138 V HA 0.318 4.438 4.120 -0.000 0.000 0.298 138 V C -0.046 175.973 176.094 -0.125 0.000 1.031 138 V CA -0.683 61.555 62.300 -0.104 0.000 0.871 138 V CB 1.714 33.491 31.823 -0.077 0.000 0.988 138 V HN 0.476 nan 8.190 nan 0.000 0.432 139 V N 5.708 125.548 119.914 -0.125 0.000 2.432 139 V HA 0.280 4.400 4.120 -0.000 0.000 0.271 139 V C 0.037 176.077 176.094 -0.090 0.000 1.046 139 V CA -0.275 61.941 62.300 -0.139 0.000 0.945 139 V CB 1.491 33.209 31.823 -0.175 0.000 0.992 139 V HN 0.610 nan 8.190 nan 0.000 0.471 140 V N 5.651 125.513 119.914 -0.087 0.000 2.328 140 V HA 0.329 4.449 4.120 -0.000 0.000 0.278 140 V C 0.214 176.297 176.094 -0.018 0.000 1.021 140 V CA -0.655 61.614 62.300 -0.052 0.000 0.838 140 V CB 1.267 33.046 31.823 -0.073 0.000 0.999 140 V HN 0.885 nan 8.190 nan 0.000 0.447 141 E N 3.441 123.662 120.200 0.035 0.000 2.227 141 E HA 0.515 4.865 4.350 -0.000 0.000 0.282 141 E C -1.073 175.582 176.600 0.090 0.000 1.015 141 E CA -0.449 56.014 56.400 0.106 0.000 0.823 141 E CB 2.291 32.106 29.700 0.192 0.000 1.081 141 E HN 0.414 nan 8.360 nan 0.000 0.396 142 V N 3.209 123.185 119.914 0.103 0.000 2.444 142 V HA 0.123 4.243 4.120 -0.000 0.000 0.294 142 V C 0.003 176.161 176.094 0.106 0.000 1.022 142 V CA -0.699 61.648 62.300 0.077 0.000 0.850 142 V CB 1.588 33.441 31.823 0.050 0.000 0.992 142 V HN 0.672 nan 8.190 nan 0.000 0.426 143 E N 2.583 122.838 120.200 0.091 0.000 2.354 143 E HA 0.322 4.671 4.350 -0.000 0.000 0.269 143 E C -0.606 176.046 176.600 0.086 0.000 1.036 143 E CA -0.097 56.363 56.400 0.100 0.000 0.876 143 E CB 0.988 30.742 29.700 0.090 0.000 1.009 143 E HN 0.675 nan 8.360 nan 0.000 0.416 144 T N 4.551 119.176 114.554 0.119 0.000 2.807 144 T HA 0.413 4.762 4.350 -0.000 0.000 0.279 144 T C -0.571 174.207 174.700 0.131 0.000 0.993 144 T CA -0.576 61.599 62.100 0.124 0.000 0.970 144 T CB 0.468 69.451 68.868 0.191 0.000 0.950 144 T HN 0.346 nan 8.240 nan 0.000 0.441 145 L N 6.146 127.362 121.223 -0.013 0.000 2.322 145 L HA 0.415 4.755 4.340 -0.000 0.000 0.279 145 L C -1.229 175.305 176.870 -0.559 0.000 1.036 145 L CA -2.377 52.365 54.840 -0.162 0.000 0.807 145 L CB 1.781 43.776 42.059 -0.107 0.000 1.226 145 L HN 0.400 nan 8.230 nan 0.000 0.433 146 P HA -0.189 nan 4.420 nan 0.000 0.217 146 P C 0.857 177.822 177.300 -0.558 0.000 1.150 146 P CA 1.269 63.596 63.100 -1.288 0.000 0.832 146 P CB 0.140 31.420 31.700 -0.700 0.000 0.787 147 E N 0.779 120.795 120.200 -0.307 0.000 2.409 147 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 147 E C 0.859 177.370 176.600 -0.148 0.000 1.024 147 E CA 0.869 57.169 56.400 -0.166 0.000 0.861 147 E CB -0.531 29.108 29.700 -0.101 0.000 0.788 147 E HN 0.411 nan 8.360 nan 0.000 0.521 148 E N 0.229 120.313 120.200 -0.193 0.000 2.499 148 E HA 0.203 4.553 4.350 -0.000 0.000 0.199 148 E C 0.422 176.949 176.600 -0.121 0.000 1.016 148 E CA 0.087 56.411 56.400 -0.126 0.000 0.933 148 E CB 0.766 30.406 29.700 -0.101 0.000 1.050 148 E HN 0.409 nan 8.360 nan 0.000 0.462 149 G N 1.206 109.895 108.800 -0.185 0.000 2.179 149 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 149 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 149 G C 0.382 175.322 174.900 0.066 0.000 1.010 149 G CA 0.261 45.315 45.100 -0.077 0.000 0.736 149 G HN 0.390 nan 8.290 nan 0.000 0.513 150 F N -3.577 116.384 119.950 0.017 0.000 3.057 150 F HA -0.221 4.306 4.527 -0.000 0.000 0.287 150 F C 1.008 176.816 175.800 0.013 0.000 0.834 150 F CA 0.645 58.660 58.000 0.024 0.000 1.147 150 F CB -1.928 37.101 39.000 0.049 0.000 1.245 150 F HN 0.343 nan 8.300 nan 0.000 0.509 151 V N 2.093 122.030 119.914 0.038 0.000 2.439 151 V HA 0.426 4.546 4.120 -0.000 0.000 0.282 151 V C -1.422 174.511 176.094 -0.268 0.000 1.039 151 V CA -1.638 60.535 62.300 -0.211 0.000 0.913 151 V CB 1.605 33.377 31.823 -0.086 0.000 0.983 151 V HN -0.096 nan 8.190 nan 0.000 0.460 152 P HA 0.119 nan 4.420 nan 0.000 0.271 152 P C -1.006 176.208 177.300 -0.143 0.000 1.216 152 P CA -0.149 62.809 63.100 -0.237 0.000 0.776 152 P CB 0.959 32.510 31.700 -0.250 0.000 0.881 153 D N 4.378 124.734 120.400 -0.074 0.000 2.396 153 D HA 0.123 4.763 4.640 -0.000 0.000 0.225 153 D C -1.290 174.996 176.300 -0.024 0.000 1.121 153 D CA -2.605 51.368 54.000 -0.045 0.000 0.853 153 D CB 0.764 41.546 40.800 -0.030 0.000 1.043 153 D HN 0.162 nan 8.370 nan 0.000 0.500 154 P HA -0.165 nan 4.420 nan 0.000 0.224 154 P C 0.839 178.148 177.300 0.015 0.000 1.142 154 P CA 0.694 63.799 63.100 0.008 0.000 0.778 154 P CB 0.672 32.380 31.700 0.013 0.000 0.764 155 E N 0.507 120.711 120.200 0.006 0.000 2.122 155 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 155 E C 2.233 178.836 176.600 0.006 0.000 0.977 155 E CA 0.856 57.262 56.400 0.009 0.000 0.820 155 E CB -0.389 29.314 29.700 0.005 0.000 0.770 155 E HN 0.108 nan 8.360 nan 0.000 0.462 156 R N -0.409 120.093 120.500 0.002 0.000 2.115 156 R HA -0.047 4.293 4.340 -0.000 0.000 0.230 156 R C 2.214 178.516 176.300 0.003 0.000 1.111 156 R CA 1.177 57.279 56.100 0.003 0.000 0.976 156 R CB -0.178 30.125 30.300 0.006 0.000 0.870 156 R HN 0.098 nan 8.270 nan 0.000 0.445 157 V N 0.784 120.702 119.914 0.007 0.000 2.379 157 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 157 V C 2.382 178.471 176.094 -0.009 0.000 1.044 157 V CA 1.746 64.051 62.300 0.008 0.000 1.036 157 V CB -0.508 31.335 31.823 0.033 0.000 0.664 157 V HN 0.275 nan 8.190 nan 0.000 0.453 158 R N 0.542 121.040 120.500 -0.003 0.000 2.096 158 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 158 R C 2.305 178.571 176.300 -0.056 0.000 1.127 158 R CA 1.438 57.517 56.100 -0.035 0.000 0.968 158 R CB -0.208 30.098 30.300 0.011 0.000 0.861 158 R HN 0.394 nan 8.270 nan 0.000 0.440 159 R N -0.534 119.951 120.500 -0.026 0.000 2.339 159 R HA 0.033 4.373 4.340 -0.000 0.000 0.199 159 R C 1.297 177.577 176.300 -0.034 0.000 1.018 159 R CA 0.720 56.806 56.100 -0.023 0.000 1.036 159 R CB 0.232 30.528 30.300 -0.008 0.000 0.899 159 R HN 0.245 nan 8.270 nan 0.000 0.473 160 A N 0.400 123.190 122.820 -0.049 0.000 2.390 160 A HA 0.230 4.550 4.320 -0.000 0.000 0.232 160 A C 0.706 178.232 177.584 -0.096 0.000 1.233 160 A CA -0.325 51.677 52.037 -0.058 0.000 0.907 160 A CB 0.385 19.356 19.000 -0.047 0.000 0.967 160 A HN 0.054 nan 8.150 nan 0.000 0.512 161 I N 1.855 122.351 120.570 -0.123 0.000 2.529 161 I HA 0.252 4.422 4.170 -0.000 0.000 0.284 161 I C 0.887 176.943 176.117 -0.101 0.000 1.082 161 I CA 0.326 61.528 61.300 -0.164 0.000 1.406 161 I CB 1.307 39.153 38.000 -0.256 0.000 1.405 161 I HN 0.378 nan 8.210 nan 0.000 0.548 162 T N 2.229 116.735 114.554 -0.080 0.000 2.778 162 T HA 0.425 4.775 4.350 -0.000 0.000 0.293 162 T C -2.376 172.322 174.700 -0.003 0.000 1.144 162 T CA -1.522 60.558 62.100 -0.033 0.000 1.010 162 T CB 1.674 70.519 68.868 -0.039 0.000 1.325 162 T HN 0.205 nan 8.240 nan 0.000 0.515 163 P HA 0.184 nan 4.420 nan 0.000 0.226 163 P C 1.154 178.464 177.300 0.016 0.000 1.153 163 P CA 0.548 63.666 63.100 0.029 0.000 0.777 163 P CB 0.081 31.795 31.700 0.022 0.000 0.794 164 R N -1.566 118.928 120.500 -0.010 0.000 2.276 164 R HA 0.104 4.444 4.340 -0.000 0.000 0.196 164 R C 0.291 176.565 176.300 -0.043 0.000 0.961 164 R CA 0.291 56.378 56.100 -0.022 0.000 1.024 164 R CB -0.448 29.832 30.300 -0.032 0.000 0.940 164 R HN 0.078 nan 8.270 nan 0.000 0.480 165 T N 1.239 115.748 114.554 -0.075 0.000 2.792 165 T HA -0.026 4.324 4.350 -0.000 0.000 0.286 165 T C 0.883 175.523 174.700 -0.100 0.000 0.970 165 T CA 0.542 62.536 62.100 -0.176 0.000 1.187 165 T CB 0.963 69.617 68.868 -0.358 0.000 0.915 165 T HN 0.002 nan 8.240 nan 0.000 0.529 166 K N 1.993 122.351 120.400 -0.069 0.000 2.313 166 K HA 0.520 4.840 4.320 -0.000 0.000 0.197 166 K C 0.393 177.094 176.600 0.169 0.000 1.061 166 K CA 0.247 56.578 56.287 0.073 0.000 0.980 166 K CB 0.647 33.204 32.500 0.095 0.000 0.888 166 K HN 0.717 nan 8.250 nan 0.000 0.502 167 A N 0.001 122.840 122.820 0.032 0.000 2.609 167 A HA 0.665 4.985 4.320 -0.000 0.000 0.291 167 A C -2.101 175.447 177.584 -0.059 0.000 1.096 167 A CA -0.718 51.407 52.037 0.146 0.000 0.684 167 A CB 1.155 20.315 19.000 0.268 0.000 1.282 167 A HN 0.100 nan 8.150 nan 0.000 0.412 168 L N 0.768 122.051 121.223 0.100 0.000 2.438 168 L HA 0.757 5.097 4.340 -0.000 0.000 0.270 168 L C -1.524 175.410 176.870 0.107 0.000 0.972 168 L CA -0.382 54.491 54.840 0.054 0.000 0.831 168 L CB 2.078 44.242 42.059 0.175 0.000 1.273 168 L HN 0.486 nan 8.230 nan 0.000 0.405 169 V N 5.646 125.579 119.914 0.031 0.000 2.350 169 V HA 0.583 4.703 4.120 -0.000 0.000 0.276 169 V C -0.154 175.953 176.094 0.022 0.000 1.028 169 V CA -0.525 61.757 62.300 -0.030 0.000 0.860 169 V CB 1.463 33.131 31.823 -0.258 0.000 0.990 169 V HN 0.637 nan 8.190 nan 0.000 0.453 170 V N 2.155 122.118 119.914 0.081 0.000 2.581 170 V HA 0.634 4.754 4.120 -0.000 0.000 0.303 170 V C -0.179 176.001 176.094 0.144 0.000 1.041 170 V CA -0.709 61.699 62.300 0.179 0.000 0.907 170 V CB 1.787 33.742 31.823 0.221 0.000 0.994 170 V HN 0.897 nan 8.190 nan 0.000 0.442 171 N N 2.137 120.940 118.700 0.172 0.000 2.577 171 N HA 0.430 5.170 4.740 -0.000 0.000 0.275 171 N C -1.460 173.973 175.510 -0.129 0.000 1.091 171 N CA 0.004 53.125 53.050 0.117 0.000 0.843 171 N CB 1.598 40.267 38.487 0.304 0.000 1.295 171 N HN 0.825 nan 8.380 nan 0.000 0.530 172 S N 3.702 119.311 115.700 -0.152 0.000 2.677 172 S HA 0.491 4.961 4.470 -0.000 0.000 0.283 172 S C -2.835 171.774 174.600 0.016 0.000 1.159 172 S CA -1.023 57.007 58.200 -0.283 0.000 1.001 172 S CB 1.418 64.303 63.200 -0.524 0.000 1.032 172 S HN 0.361 nan 8.310 nan 0.000 0.487 173 P HA 0.109 nan 4.420 nan 0.000 0.267 173 P C -0.704 176.528 177.300 -0.113 0.000 1.200 173 P CA -0.188 62.849 63.100 -0.104 0.000 0.772 173 P CB 0.392 32.024 31.700 -0.112 0.000 0.855 174 N N 2.725 121.320 118.700 -0.176 0.000 2.498 174 N HA 0.121 4.861 4.740 -0.000 0.000 0.287 174 N C -0.826 174.580 175.510 -0.174 0.000 1.097 174 N CA -0.178 52.800 53.050 -0.121 0.000 0.973 174 N CB 0.394 38.839 38.487 -0.069 0.000 1.153 174 N HN 0.294 nan 8.380 nan 0.000 0.472 175 N N 3.074 121.685 118.700 -0.149 0.000 2.354 175 N HA 0.358 5.098 4.740 -0.000 0.000 0.287 175 N C -2.202 173.209 175.510 -0.165 0.000 1.016 175 N CA -2.018 50.833 53.050 -0.332 0.000 0.871 175 N CB 2.024 40.276 38.487 -0.392 0.000 1.299 175 N HN 0.354 nan 8.380 nan 0.000 0.482 176 P HA 0.063 nan 4.420 nan 0.000 0.255 176 P C 0.785 177.839 177.300 -0.410 0.000 1.248 176 P CA 0.497 63.235 63.100 -0.603 0.000 0.807 176 P CB 0.214 31.317 31.700 -0.994 0.000 1.150 177 T N -4.222 110.119 114.554 -0.354 0.000 2.985 177 T HA 0.138 4.488 4.350 -0.000 0.000 0.266 177 T C 1.738 176.377 174.700 -0.103 0.000 1.076 177 T CA 1.234 63.126 62.100 -0.347 0.000 1.135 177 T CB -1.274 67.298 68.868 -0.494 0.000 0.890 177 T HN 0.191 nan 8.240 nan 0.000 0.480 178 G N 1.402 110.161 108.800 -0.069 0.000 2.162 178 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.260 178 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.260 178 G C 0.302 175.220 174.900 0.030 0.000 0.976 178 G CA 0.133 45.224 45.100 -0.015 0.000 0.655 178 G HN 1.246 nan 8.290 nan 0.000 0.533 179 A N -0.617 122.243 122.820 0.066 0.000 2.407 179 A HA 0.686 5.006 4.320 -0.000 0.000 0.248 179 A C 0.296 177.910 177.584 0.050 0.000 1.082 179 A CA 0.395 52.525 52.037 0.155 0.000 0.785 179 A CB 1.173 20.382 19.000 0.349 0.000 1.020 179 A HN 1.163 nan 8.150 nan 0.000 0.489 180 V N 3.573 123.552 119.914 0.109 0.000 2.376 180 V HA 0.264 4.384 4.120 -0.000 0.000 0.287 180 V C -1.145 175.078 176.094 0.215 0.000 1.015 180 V CA -0.621 61.708 62.300 0.048 0.000 0.834 180 V CB 0.649 32.505 31.823 0.056 0.000 1.001 180 V HN 0.696 nan 8.190 nan 0.000 0.428 181 Y N 4.934 125.286 120.300 0.086 0.000 2.359 181 Y HA 0.400 4.949 4.550 -0.000 0.000 0.330 181 Y C -1.814 174.118 175.900 0.053 0.000 1.143 181 Y CA -3.429 54.714 58.100 0.072 0.000 1.318 181 Y CB -0.172 38.336 38.460 0.079 0.000 1.234 181 Y HN 0.439 nan 8.280 nan 0.000 0.522 182 P HA 0.079 nan 4.420 nan 0.000 0.272 182 P C 0.900 178.203 177.300 0.005 0.000 1.223 182 P CA -0.416 62.727 63.100 0.071 0.000 0.784 182 P CB 0.871 32.591 31.700 0.033 0.000 0.923 183 K N 1.931 122.261 120.400 -0.116 0.000 2.089 183 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 183 K C 1.213 177.584 176.600 -0.382 0.000 1.048 183 K CA 1.939 57.962 56.287 -0.438 0.000 0.926 183 K CB -0.102 32.027 32.500 -0.618 0.000 0.714 183 K HN 0.303 nan 8.250 nan 0.000 0.448 184 E N 0.362 120.435 120.200 -0.212 0.000 2.058 184 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 184 E C 1.986 178.540 176.600 -0.077 0.000 0.997 184 E CA 1.511 57.827 56.400 -0.141 0.000 0.801 184 E CB -0.210 29.437 29.700 -0.088 0.000 0.746 184 E HN 0.126 nan 8.360 nan 0.000 0.450 185 V N 0.533 120.425 119.914 -0.036 0.000 2.407 185 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 185 V C 2.029 178.148 176.094 0.043 0.000 1.055 185 V CA 1.144 63.443 62.300 -0.002 0.000 1.049 185 V CB -0.378 31.442 31.823 -0.005 0.000 0.662 185 V HN 0.209 nan 8.190 nan 0.000 0.455 186 L N -0.075 121.197 121.223 0.080 0.000 2.093 186 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 186 L C 2.449 179.405 176.870 0.144 0.000 1.085 186 L CA 1.634 56.575 54.840 0.168 0.000 0.755 186 L CB -1.099 41.138 42.059 0.297 0.000 0.904 186 L HN 0.414 nan 8.230 nan 0.000 0.435 187 E N -0.805 119.425 120.200 0.050 0.000 2.106 187 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 187 E C 2.233 178.852 176.600 0.031 0.000 0.984 187 E CA 1.073 57.502 56.400 0.049 0.000 0.806 187 E CB -0.138 29.528 29.700 -0.057 0.000 0.750 187 E HN 0.491 nan 8.360 nan 0.000 0.458 188 A N 1.379 124.208 122.820 0.015 0.000 1.877 188 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 188 A C 2.210 179.817 177.584 0.038 0.000 1.186 188 A CA 1.074 53.121 52.037 0.016 0.000 0.620 188 A CB -0.649 18.357 19.000 0.009 0.000 0.822 188 A HN 0.124 nan 8.150 nan 0.000 0.443 189 L N -0.860 120.401 121.223 0.063 0.000 2.093 189 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 189 L C 3.063 179.976 176.870 0.072 0.000 1.085 189 L CA 0.981 55.877 54.840 0.093 0.000 0.755 189 L CB -0.580 41.553 42.059 0.124 0.000 0.904 189 L HN 0.443 nan 8.230 nan 0.000 0.435 190 A N -0.094 122.760 122.820 0.057 0.000 1.972 190 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 190 A C 2.374 179.907 177.584 -0.085 0.000 1.169 190 A CA 1.130 53.172 52.037 0.010 0.000 0.635 190 A CB -0.334 18.697 19.000 0.052 0.000 0.810 190 A HN 0.268 nan 8.150 nan 0.000 0.446 191 R N -0.413 120.052 120.500 -0.058 0.000 2.092 191 R HA 0.025 4.365 4.340 -0.000 0.000 0.231 191 R C 2.006 178.233 176.300 -0.122 0.000 1.119 191 R CA 0.951 56.992 56.100 -0.098 0.000 0.970 191 R CB -0.827 29.443 30.300 -0.050 0.000 0.864 191 R HN 0.555 nan 8.270 nan 0.000 0.440 192 L N 0.430 121.627 121.223 -0.044 0.000 2.083 192 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 192 L C 2.630 179.345 176.870 -0.258 0.000 1.083 192 L CA 1.308 56.182 54.840 0.057 0.000 0.752 192 L CB -0.592 41.573 42.059 0.177 0.000 0.899 192 L HN 0.160 nan 8.230 nan 0.000 0.433 193 A N -0.539 121.941 122.820 -0.566 0.000 1.930 193 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 193 A C 2.277 179.370 177.584 -0.818 0.000 1.175 193 A CA 1.605 52.925 52.037 -1.194 0.000 0.627 193 A CB -0.624 18.022 19.000 -0.590 0.000 0.815 193 A HN 0.211 nan 8.150 nan 0.000 0.443 194 V N -0.136 119.372 119.914 -0.677 0.000 2.323 194 V HA -0.223 3.897 4.120 -0.000 0.000 0.244 194 V C 2.490 178.345 176.094 -0.398 0.000 1.041 194 V CA 2.109 63.953 62.300 -0.760 0.000 1.025 194 V CB -0.719 30.763 31.823 -0.569 0.000 0.656 194 V HN 0.770 nan 8.190 nan 0.000 0.451 195 E N 0.064 120.060 120.200 -0.339 0.000 2.077 195 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 195 E C 1.850 178.185 176.600 -0.442 0.000 0.989 195 E CA 1.790 57.974 56.400 -0.361 0.000 0.800 195 E CB -0.069 29.398 29.700 -0.388 0.000 0.746 195 E HN 0.816 nan 8.360 nan 0.000 0.452 196 H N -0.526 118.440 119.070 -0.173 0.000 2.551 196 H HA 0.148 4.704 4.556 -0.000 0.000 0.271 196 H C -0.465 174.851 175.328 -0.019 0.000 0.984 196 H CA 0.508 56.533 56.048 -0.037 0.000 1.164 196 H CB 0.504 30.352 29.762 0.145 0.000 1.437 196 H HN 0.149 nan 8.280 nan 0.000 0.550 197 D N 0.226 120.583 120.400 -0.072 0.000 2.956 197 D HA -0.194 4.446 4.640 -0.000 0.000 0.240 197 D C -1.003 175.339 176.300 0.070 0.000 1.141 197 D CA 0.771 54.778 54.000 0.012 0.000 0.820 197 D CB -1.157 39.663 40.800 0.034 0.000 0.988 197 D HN 0.401 nan 8.370 nan 0.000 0.417 198 F N -1.137 118.852 119.950 0.064 0.000 2.715 198 F HA 0.703 5.230 4.527 -0.000 0.000 0.318 198 F C -1.071 174.720 175.800 -0.014 0.000 1.141 198 F CA -1.585 56.385 58.000 -0.049 0.000 0.950 198 F CB 0.638 39.652 39.000 0.024 0.000 1.374 198 F HN -0.173 nan 8.300 nan 0.000 0.477 199 Y N 1.934 122.513 120.300 0.465 0.000 2.304 199 Y HA 0.496 5.046 4.550 -0.000 0.000 0.328 199 Y C 0.037 176.147 175.900 0.350 0.000 1.123 199 Y CA -0.886 57.393 58.100 0.299 0.000 1.218 199 Y CB 1.080 39.646 38.460 0.177 0.000 1.207 199 Y HN 0.550 nan 8.280 nan 0.000 0.495 200 L N 4.373 125.843 121.223 0.411 0.000 2.272 200 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 200 L C -1.227 175.756 176.870 0.189 0.000 1.032 200 L CA -0.831 54.181 54.840 0.286 0.000 0.810 200 L CB 1.012 43.188 42.059 0.196 0.000 1.205 200 L HN 0.389 nan 8.230 nan 0.000 0.422 201 V N 3.951 123.950 119.914 0.141 0.000 2.313 201 V HA 0.204 4.324 4.120 -0.000 0.000 0.278 201 V C 0.274 176.391 176.094 0.039 0.000 1.017 201 V CA -0.290 62.038 62.300 0.048 0.000 0.823 201 V CB 1.391 33.225 31.823 0.018 0.000 1.010 201 V HN 0.787 nan 8.190 nan 0.000 0.443 202 S N 3.450 119.168 115.700 0.029 0.000 2.420 202 S HA 0.269 4.739 4.470 -0.000 0.000 0.313 202 S C -0.418 174.205 174.600 0.039 0.000 1.079 202 S CA -0.590 57.635 58.200 0.041 0.000 1.104 202 S CB 0.458 63.677 63.200 0.032 0.000 0.969 202 S HN 0.781 nan 8.310 nan 0.000 0.471 203 D N 3.965 124.405 120.400 0.067 0.000 2.411 203 D HA 0.194 4.834 4.640 -0.000 0.000 0.225 203 D C 0.324 176.658 176.300 0.058 0.000 1.156 203 D CA -0.163 53.884 54.000 0.078 0.000 0.874 203 D CB 0.705 41.620 40.800 0.191 0.000 1.034 203 D HN 0.655 nan 8.370 nan 0.000 0.502 204 E N 2.770 122.988 120.200 0.030 0.000 2.496 204 E HA 0.052 4.402 4.350 -0.000 0.000 0.200 204 E C 1.512 178.018 176.600 -0.156 0.000 1.016 204 E CA -0.081 56.334 56.400 0.025 0.000 0.962 204 E CB 0.235 30.034 29.700 0.164 0.000 1.071 204 E HN 0.507 nan 8.360 nan 0.000 0.457 205 I N -1.039 119.372 120.570 -0.264 0.000 2.381 205 I HA -0.294 3.876 4.170 -0.000 0.000 0.255 205 I C 1.339 177.076 176.117 -0.634 0.000 1.140 205 I CA 1.515 62.524 61.300 -0.485 0.000 1.404 205 I CB -0.986 36.621 38.000 -0.654 0.000 1.075 205 I HN 0.115 nan 8.210 nan 0.000 0.433 206 Y N 1.850 121.969 120.300 -0.301 0.000 2.495 206 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 206 Y C 2.162 177.814 175.900 -0.414 0.000 1.186 206 Y CA 0.025 57.908 58.100 -0.361 0.000 1.266 206 Y CB -1.071 37.173 38.460 -0.360 0.000 1.101 206 Y HN 0.419 nan 8.280 nan 0.000 0.517 207 E N -0.429 119.484 120.200 -0.478 0.000 2.171 207 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 207 E C 0.734 176.974 176.600 -0.601 0.000 0.997 207 E CA 2.120 58.014 56.400 -0.844 0.000 0.810 207 E CB -0.444 28.519 29.700 -1.230 0.000 0.738 207 E HN 0.648 nan 8.360 nan 0.000 0.467 208 H N -0.073 118.829 119.070 -0.281 0.000 2.551 208 H HA 0.232 4.788 4.556 -0.000 0.000 0.266 208 H C 0.297 175.536 175.328 -0.149 0.000 0.964 208 H CA -0.048 55.886 56.048 -0.190 0.000 1.180 208 H CB 0.393 30.054 29.762 -0.169 0.000 1.408 208 H HN 0.092 nan 8.280 nan 0.000 0.563 209 L N 2.014 123.182 121.223 -0.091 0.000 2.598 209 L HA 0.255 4.595 4.340 -0.000 0.000 0.241 209 L C -0.979 175.579 176.870 -0.520 0.000 1.244 209 L CA -0.338 54.412 54.840 -0.149 0.000 1.198 209 L CB 0.082 42.070 42.059 -0.119 0.000 1.448 209 L HN 0.122 nan 8.230 nan 0.000 0.406 210 L N 0.244 121.164 121.223 -0.505 0.000 2.341 210 L HA 0.384 4.724 4.340 -0.000 0.000 0.278 210 L C -0.093 176.453 176.870 -0.540 0.000 1.005 210 L CA -0.135 54.388 54.840 -0.528 0.000 0.818 210 L CB 1.673 43.617 42.059 -0.191 0.000 1.259 210 L HN 0.120 nan 8.230 nan 0.000 0.418 211 Y N 1.198 121.546 120.300 0.079 0.000 2.558 211 Y HA 0.380 4.930 4.550 -0.000 0.000 0.273 211 Y C 0.117 176.054 175.900 0.062 0.000 1.100 211 Y CA -0.520 57.625 58.100 0.074 0.000 1.276 211 Y CB 0.283 38.791 38.460 0.079 0.000 1.196 211 Y HN 0.412 nan 8.280 nan 0.000 0.527 212 E N 0.195 120.478 120.200 0.139 0.000 2.293 212 E HA 0.541 4.891 4.350 -0.000 0.000 0.270 212 E C 0.252 176.897 176.600 0.075 0.000 0.879 212 E CA -0.239 56.226 56.400 0.108 0.000 0.756 212 E CB 2.584 32.354 29.700 0.116 0.000 1.208 212 E HN 0.246 nan 8.360 nan 0.000 0.428 213 G N 2.130 110.973 108.800 0.071 0.000 2.660 213 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 213 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 213 G C -0.922 174.022 174.900 0.075 0.000 1.345 213 G CA -0.540 44.601 45.100 0.069 0.000 0.877 213 G HN 0.548 nan 8.290 nan 0.000 0.549 214 E N -0.782 119.471 120.200 0.089 0.000 2.343 214 E HA 0.451 4.801 4.350 -0.000 0.000 0.270 214 E C -1.116 175.579 176.600 0.159 0.000 0.895 214 E CA -0.864 55.606 56.400 0.117 0.000 0.767 214 E CB 2.116 31.883 29.700 0.113 0.000 1.248 214 E HN 0.616 nan 8.360 nan 0.000 0.440 215 H N 1.616 120.728 119.070 0.070 0.000 2.723 215 H HA 0.270 4.825 4.556 -0.000 0.000 0.294 215 H C -1.561 173.848 175.328 0.135 0.000 1.079 215 H CA -0.217 55.870 56.048 0.065 0.000 1.411 215 H CB 0.084 29.840 29.762 -0.010 0.000 1.439 215 H HN 0.274 nan 8.280 nan 0.000 0.474 216 F N 3.639 123.367 119.950 -0.370 0.000 2.436 216 F HA 0.422 4.949 4.527 -0.000 0.000 0.340 216 F C -0.470 175.110 175.800 -0.366 0.000 1.113 216 F CA -0.553 57.294 58.000 -0.256 0.000 1.022 216 F CB 1.429 40.363 39.000 -0.110 0.000 1.128 216 F HN 0.427 nan 8.300 nan 0.000 0.466 217 S N 7.974 123.113 115.700 -0.936 0.000 2.410 217 S HA 0.251 4.721 4.470 -0.000 0.000 0.304 217 S C -1.894 172.293 174.600 -0.688 0.000 1.095 217 S CA -1.009 56.826 58.200 -0.609 0.000 1.089 217 S CB 1.420 64.410 63.200 -0.350 0.000 0.968 217 S HN 0.497 nan 8.310 nan 0.000 0.480 218 P HA -0.057 nan 4.420 nan 0.000 0.221 218 P C 1.559 178.817 177.300 -0.071 0.000 1.145 218 P CA 0.599 63.682 63.100 -0.029 0.000 0.795 218 P CB 0.022 31.765 31.700 0.073 0.000 0.775 219 G N -0.293 108.434 108.800 -0.123 0.000 2.527 219 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 219 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 219 G C 1.578 176.425 174.900 -0.089 0.000 1.117 219 G CA 0.413 45.460 45.100 -0.089 0.000 0.759 219 G HN 0.260 nan 8.290 nan 0.000 0.556 220 R N -0.642 119.766 120.500 -0.153 0.000 2.090 220 R HA 0.068 4.408 4.340 -0.000 0.000 0.228 220 R C 2.599 178.899 176.300 0.000 0.000 1.110 220 R CA 0.931 56.973 56.100 -0.097 0.000 0.973 220 R CB -0.249 29.945 30.300 -0.177 0.000 0.869 220 R HN 0.305 nan 8.270 nan 0.000 0.440 221 V N -0.003 119.937 119.914 0.044 0.000 2.346 221 V HA 0.034 4.154 4.120 -0.000 0.000 0.244 221 V C 1.004 177.114 176.094 0.025 0.000 1.037 221 V CA 1.457 63.801 62.300 0.074 0.000 1.029 221 V CB -0.066 31.839 31.823 0.137 0.000 0.663 221 V HN 0.305 nan 8.190 nan 0.000 0.454 222 A N 0.703 123.534 122.820 0.017 0.000 3.064 222 A HA 0.510 4.830 4.320 -0.000 0.000 0.339 222 A C -1.232 176.397 177.584 0.075 0.000 1.078 222 A CA -1.004 51.042 52.037 0.015 0.000 0.869 222 A CB 0.260 19.227 19.000 -0.054 0.000 1.067 222 A HN 0.317 nan 8.150 nan 0.000 0.480 223 P HA -0.183 nan 4.420 nan 0.000 0.218 223 P C 0.698 178.035 177.300 0.062 0.000 1.148 223 P CA 1.315 64.440 63.100 0.041 0.000 0.822 223 P CB 0.416 32.126 31.700 0.018 0.000 0.784 224 E N -1.999 118.269 120.200 0.114 0.000 2.479 224 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 224 E C 0.881 177.471 176.600 -0.015 0.000 1.049 224 E CA 0.112 56.538 56.400 0.043 0.000 0.870 224 E CB -0.091 29.602 29.700 -0.012 0.000 0.944 224 E HN 0.470 nan 8.360 nan 0.000 0.492 225 H N -1.625 117.475 119.070 0.050 0.000 2.874 225 H HA 0.170 4.726 4.556 -0.000 0.000 0.264 225 H C -0.138 175.297 175.328 0.178 0.000 1.007 225 H CA 0.272 56.377 56.048 0.096 0.000 1.207 225 H CB 0.977 30.725 29.762 -0.023 0.000 1.487 225 H HN -0.135 nan 8.280 nan 0.000 0.505 226 T N 1.394 116.067 114.554 0.199 0.000 2.829 226 T HA 0.508 4.858 4.350 -0.000 0.000 0.282 226 T C -0.283 174.431 174.700 0.023 0.000 0.990 226 T CA -0.564 61.603 62.100 0.112 0.000 1.028 226 T CB 1.502 70.400 68.868 0.050 0.000 0.951 226 T HN 0.031 nan 8.240 nan 0.000 0.460 227 L N 3.051 124.268 121.223 -0.011 0.000 2.342 227 L HA 0.374 4.714 4.340 -0.000 0.000 0.276 227 L C 0.124 176.935 176.870 -0.098 0.000 0.997 227 L CA -0.583 54.200 54.840 -0.095 0.000 0.838 227 L CB 1.581 43.554 42.059 -0.143 0.000 1.224 227 L HN 0.643 nan 8.230 nan 0.000 0.416 228 T N 2.680 117.140 114.554 -0.156 0.000 2.743 228 T HA 0.486 4.836 4.350 -0.000 0.000 0.293 228 T C -0.041 174.596 174.700 -0.105 0.000 0.945 228 T CA -0.364 61.652 62.100 -0.141 0.000 1.030 228 T CB 1.509 70.236 68.868 -0.234 0.000 0.912 228 T HN 0.117 nan 8.240 nan 0.000 0.483 229 V N 4.885 124.785 119.914 -0.023 0.000 2.513 229 V HA 0.622 4.742 4.120 -0.000 0.000 0.299 229 V C 0.131 176.244 176.094 0.032 0.000 1.035 229 V CA -0.727 61.576 62.300 0.004 0.000 0.889 229 V CB 1.820 33.632 31.823 -0.018 0.000 0.988 229 V HN 0.817 nan 8.190 nan 0.000 0.440 230 N N 1.383 120.095 118.700 0.021 0.000 3.344 230 N HA 0.786 5.526 4.740 -0.000 0.000 0.296 230 N C -0.628 174.608 175.510 -0.457 0.000 1.571 230 N CA 0.297 53.293 53.050 -0.091 0.000 0.844 230 N CB 2.505 41.112 38.487 0.199 0.000 1.718 230 N HN 0.918 nan 8.380 nan 0.000 0.589 231 G N -1.605 106.780 108.800 -0.692 0.000 2.466 231 G HA2 0.521 4.481 3.960 -0.000 0.000 0.291 231 G HA3 0.521 4.481 3.960 -0.000 0.000 0.291 231 G C -0.552 174.024 174.900 -0.540 0.000 1.460 231 G CA 0.219 44.751 45.100 -0.948 0.000 0.791 231 G HN 0.572 nan 8.290 nan 0.000 0.505 232 A N -0.420 122.230 122.820 -0.283 0.000 2.178 232 A HA 0.544 4.864 4.320 -0.000 0.000 0.211 232 A C 2.538 180.107 177.584 -0.025 0.000 1.157 232 A CA 1.883 53.961 52.037 0.068 0.000 0.780 232 A CB -0.562 18.604 19.000 0.277 0.000 0.828 232 A HN 1.950 nan 8.150 nan 0.000 0.476 233 A N 0.952 123.719 122.820 -0.088 0.000 1.869 233 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 233 A C 2.084 179.662 177.584 -0.010 0.000 1.203 233 A CA 2.109 54.127 52.037 -0.032 0.000 0.638 233 A CB -0.341 18.614 19.000 -0.075 0.000 0.831 233 A HN 0.365 nan 8.150 nan 0.000 0.450 234 K N -0.681 119.635 120.400 -0.139 0.000 2.098 234 K HA 0.226 4.546 4.320 -0.000 0.000 0.203 234 K C 2.302 178.894 176.600 -0.014 0.000 1.051 234 K CA 1.160 57.407 56.287 -0.067 0.000 0.957 234 K CB -1.075 31.238 32.500 -0.311 0.000 0.738 234 K HN 0.433 nan 8.250 nan 0.000 0.447 235 A N 1.007 123.685 122.820 -0.236 0.000 1.883 235 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 235 A C 1.325 178.753 177.584 -0.260 0.000 1.186 235 A CA 1.442 53.244 52.037 -0.391 0.000 0.624 235 A CB -0.530 17.970 19.000 -0.833 0.000 0.822 235 A HN 0.243 nan 8.150 nan 0.000 0.444 236 F N -1.535 118.554 119.950 0.230 0.000 2.639 236 F HA 0.584 5.111 4.527 -0.000 0.000 0.302 236 F C 1.259 177.125 175.800 0.109 0.000 1.097 236 F CA -0.673 57.424 58.000 0.163 0.000 1.294 236 F CB -0.572 38.383 39.000 -0.075 0.000 1.027 236 F HN 0.337 nan 8.300 nan 0.000 0.550 237 A N 0.733 123.785 122.820 0.386 0.000 2.739 237 A HA -0.266 4.054 4.320 -0.000 0.000 0.296 237 A C 0.619 178.360 177.584 0.261 0.000 1.488 237 A CA 1.022 53.278 52.037 0.365 0.000 0.746 237 A CB -2.245 17.049 19.000 0.490 0.000 1.047 237 A HN 0.449 nan 8.150 nan 0.000 0.477 238 M N 0.355 120.083 119.600 0.214 0.000 2.959 238 M HA 0.069 4.549 4.480 -0.000 0.000 0.337 238 M C 1.683 178.184 176.300 0.334 0.000 1.220 238 M CA 0.549 55.995 55.300 0.244 0.000 0.893 238 M CB 0.025 32.556 32.600 -0.116 0.000 1.322 238 M HN 0.711 nan 8.290 nan 0.000 0.519 239 T N -2.502 112.217 114.554 0.276 0.000 2.746 239 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 239 T C 1.836 176.653 174.700 0.196 0.000 1.039 239 T CA 1.770 63.988 62.100 0.197 0.000 1.142 239 T CB -0.555 68.412 68.868 0.165 0.000 0.866 239 T HN 0.592 nan 8.240 nan 0.000 0.444 240 G N -0.731 108.193 108.800 0.207 0.000 2.848 240 G HA2 0.086 4.046 3.960 -0.000 0.000 0.208 240 G HA3 0.086 4.046 3.960 -0.000 0.000 0.208 240 G C 0.839 175.784 174.900 0.074 0.000 1.152 240 G CA -0.270 44.885 45.100 0.092 0.000 0.789 240 G HN 0.605 nan 8.290 nan 0.000 0.531 241 W N 0.020 121.339 121.300 0.033 0.000 2.770 241 W HA 0.274 4.934 4.660 -0.000 0.000 0.256 241 W C 0.640 177.176 176.519 0.028 0.000 1.291 241 W CA -0.354 57.009 57.345 0.031 0.000 1.396 241 W CB 0.411 29.893 29.460 0.037 0.000 1.114 241 W HN -0.038 nan 8.180 nan 0.000 0.637 242 R N 0.368 121.009 120.500 0.235 0.000 3.152 242 R HA -0.174 4.166 4.340 -0.000 0.000 0.252 242 R C -0.991 175.381 176.300 0.120 0.000 0.930 242 R CA 0.598 56.777 56.100 0.132 0.000 0.642 242 R CB -3.016 27.337 30.300 0.089 0.000 1.205 242 R HN 0.127 nan 8.270 nan 0.000 0.452 243 I N 0.035 120.667 120.570 0.103 0.000 2.468 243 I HA 0.523 4.693 4.170 -0.000 0.000 0.285 243 I C 1.038 177.128 176.117 -0.045 0.000 1.039 243 I CA -0.319 61.026 61.300 0.076 0.000 1.074 243 I CB 1.983 40.059 38.000 0.125 0.000 1.228 243 I HN 0.361 nan 8.210 nan 0.000 0.436 244 G N 5.943 114.700 108.800 -0.073 0.000 2.630 244 G HA2 0.812 4.772 3.960 -0.000 0.000 0.296 244 G HA3 0.812 4.772 3.960 -0.000 0.000 0.296 244 G C -1.857 172.962 174.900 -0.135 0.000 1.285 244 G CA -0.391 44.539 45.100 -0.283 0.000 0.958 244 G HN 0.471 nan 8.290 nan 0.000 0.479 245 Y N -2.456 117.883 120.300 0.065 0.000 2.609 245 Y HA 0.847 5.397 4.550 -0.000 0.000 0.336 245 Y C -0.128 175.869 175.900 0.161 0.000 1.129 245 Y CA -1.525 56.643 58.100 0.113 0.000 1.040 245 Y CB 1.452 39.992 38.460 0.133 0.000 1.310 245 Y HN 1.012 nan 8.280 nan 0.000 0.460 246 A N 0.397 123.409 122.820 0.320 0.000 2.606 246 A HA 0.871 5.191 4.320 -0.000 0.000 0.293 246 A C -1.117 176.439 177.584 -0.047 0.000 1.082 246 A CA -0.360 51.738 52.037 0.103 0.000 0.685 246 A CB 0.898 19.899 19.000 0.001 0.000 1.284 246 A HN 1.718 nan 8.150 nan 0.000 0.408 247 C N -0.605 118.500 119.300 -0.325 0.000 3.080 247 C HA 1.098 5.558 4.460 -0.000 0.000 0.307 247 C C 0.420 175.252 174.990 -0.263 0.000 1.311 247 C CA 0.170 58.985 59.018 -0.339 0.000 1.533 247 C CB 1.107 28.477 27.740 -0.618 0.000 1.970 247 C HN 2.717 nan 8.230 nan 0.000 0.467 248 G N 0.576 109.272 108.800 -0.173 0.000 2.344 248 G HA2 0.530 4.490 3.960 -0.000 0.000 0.282 248 G HA3 0.530 4.490 3.960 -0.000 0.000 0.282 248 G C -3.568 171.288 174.900 -0.074 0.000 1.281 248 G CA -0.722 44.306 45.100 -0.121 0.000 0.877 248 G HN 0.587 nan 8.290 nan 0.000 0.494 249 P HA 0.127 nan 4.420 nan 0.000 0.261 249 P C 0.790 178.071 177.300 -0.032 0.000 1.183 249 P CA 0.221 63.309 63.100 -0.021 0.000 0.761 249 P CB 0.961 32.672 31.700 0.018 0.000 0.785 250 K N 3.847 124.233 120.400 -0.024 0.000 2.127 250 K HA -0.256 4.063 4.320 -0.000 0.000 0.208 250 K C 1.232 177.821 176.600 -0.019 0.000 1.047 250 K CA 1.538 57.813 56.287 -0.021 0.000 0.927 250 K CB 0.057 32.548 32.500 -0.014 0.000 0.716 250 K HN 0.350 nan 8.250 nan 0.000 0.450 251 E N 0.225 120.417 120.200 -0.012 0.000 2.107 251 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 251 E C 2.124 178.712 176.600 -0.021 0.000 0.982 251 E CA 0.921 57.317 56.400 -0.008 0.000 0.809 251 E CB -0.136 29.569 29.700 0.007 0.000 0.756 251 E HN 0.177 nan 8.360 nan 0.000 0.459 252 V N 1.765 121.654 119.914 -0.041 0.000 2.379 252 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 252 V C 2.354 178.398 176.094 -0.084 0.000 1.044 252 V CA 0.967 63.212 62.300 -0.093 0.000 1.036 252 V CB -0.331 31.377 31.823 -0.191 0.000 0.664 252 V HN 0.184 nan 8.190 nan 0.000 0.453 253 I N 0.401 120.930 120.570 -0.068 0.000 2.226 253 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 253 I C 2.435 178.533 176.117 -0.032 0.000 1.100 253 I CA 1.790 63.059 61.300 -0.052 0.000 1.374 253 I CB -1.064 36.911 38.000 -0.042 0.000 1.057 253 I HN 0.367 nan 8.210 nan 0.000 0.413 254 K N 0.862 121.247 120.400 -0.025 0.000 2.148 254 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 254 K C 2.132 178.723 176.600 -0.014 0.000 1.050 254 K CA 1.270 57.548 56.287 -0.015 0.000 0.942 254 K CB 0.083 32.576 32.500 -0.011 0.000 0.724 254 K HN 0.264 nan 8.250 nan 0.000 0.446 255 A N 0.827 123.634 122.820 -0.022 0.000 1.929 255 A HA -0.093 4.226 4.320 -0.000 0.000 0.216 255 A C 2.038 179.612 177.584 -0.017 0.000 1.176 255 A CA 1.148 53.174 52.037 -0.019 0.000 0.628 255 A CB -0.330 18.654 19.000 -0.027 0.000 0.816 255 A HN 0.274 nan 8.150 nan 0.000 0.444 256 M N -0.483 119.101 119.600 -0.027 0.000 2.159 256 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 256 M C 2.424 178.728 176.300 0.007 0.000 1.063 256 M CA 1.408 56.699 55.300 -0.015 0.000 1.110 256 M CB -0.372 32.209 32.600 -0.032 0.000 1.374 256 M HN 0.468 nan 8.290 nan 0.000 0.411 257 A N -1.046 121.775 122.820 0.002 0.000 2.066 257 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 257 A C 2.242 179.831 177.584 0.009 0.000 1.157 257 A CA 1.785 53.827 52.037 0.009 0.000 0.670 257 A CB -0.554 18.448 19.000 0.004 0.000 0.804 257 A HN 0.430 nan 8.150 nan 0.000 0.453 258 S N -0.701 115.003 115.700 0.007 0.000 2.377 258 S HA -0.083 4.387 4.470 -0.000 0.000 0.223 258 S C 1.866 176.478 174.600 0.019 0.000 1.030 258 S CA 1.371 59.576 58.200 0.008 0.000 0.970 258 S CB -0.312 62.891 63.200 0.004 0.000 0.830 258 S HN 0.300 nan 8.310 nan 0.000 0.473 259 V N 1.332 121.264 119.914 0.030 0.000 2.427 259 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 259 V C 2.574 178.708 176.094 0.066 0.000 1.051 259 V CA 1.971 64.304 62.300 0.055 0.000 1.048 259 V CB -0.933 30.933 31.823 0.071 0.000 0.666 259 V HN 0.429 nan 8.190 nan 0.000 0.456 260 S N 0.852 116.584 115.700 0.053 0.000 2.368 260 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 260 S C 2.249 176.864 174.600 0.024 0.000 1.030 260 S CA 1.736 59.963 58.200 0.046 0.000 0.999 260 S CB -0.375 62.847 63.200 0.037 0.000 0.844 260 S HN 0.836 nan 8.310 nan 0.000 0.459 261 S N 1.024 116.729 115.700 0.009 0.000 2.419 261 S HA -0.041 4.429 4.470 -0.000 0.000 0.233 261 S C 1.393 175.986 174.600 -0.012 0.000 1.016 261 S CA 0.673 58.864 58.200 -0.014 0.000 0.974 261 S CB -0.227 62.960 63.200 -0.021 0.000 0.786 261 S HN 0.374 nan 8.310 nan 0.000 0.492 262 Q N 0.798 120.605 119.800 0.012 0.000 2.220 262 Q HA 0.303 4.642 4.340 -0.000 0.000 0.205 262 Q C 1.370 177.392 176.000 0.036 0.000 0.865 262 Q CA 0.649 56.463 55.803 0.019 0.000 0.960 262 Q CB 0.673 29.426 28.738 0.025 0.000 1.097 262 Q HN 0.824 nan 8.270 nan 0.000 0.493 263 S N -1.132 114.592 115.700 0.040 0.000 3.429 263 S HA 0.005 4.475 4.470 -0.000 0.000 0.237 263 S C 1.649 176.267 174.600 0.029 0.000 1.037 263 S CA 0.568 58.797 58.200 0.049 0.000 0.806 263 S CB -0.094 63.157 63.200 0.085 0.000 0.882 263 S HN 0.187 nan 8.310 nan 0.000 0.556 264 T N -1.547 113.023 114.554 0.027 0.000 3.044 264 T HA 0.397 4.747 4.350 -0.000 0.000 0.260 264 T C 0.943 175.660 174.700 0.029 0.000 1.019 264 T CA 0.818 62.934 62.100 0.027 0.000 0.921 264 T CB 0.090 68.973 68.868 0.025 0.000 1.053 264 T HN 0.403 nan 8.240 nan 0.000 0.533 265 T N 0.802 115.356 114.554 0.001 0.000 13.302 265 T HA -0.246 4.104 4.350 -0.000 0.000 0.419 265 T C 0.254 174.953 174.700 -0.002 0.000 1.442 265 T CA 1.741 63.818 62.100 -0.040 0.000 2.360 265 T CB -1.736 67.066 68.868 -0.110 0.000 2.805 265 T HN 0.906 nan 8.240 nan 0.000 0.605 266 S N 0.990 116.716 115.700 0.043 0.000 2.578 266 S HA 0.581 5.051 4.470 -0.000 0.000 0.272 266 S C -3.108 171.540 174.600 0.079 0.000 1.145 266 S CA -1.054 57.181 58.200 0.058 0.000 0.835 266 S CB 1.840 65.080 63.200 0.067 0.000 1.104 266 S HN 0.219 nan 8.310 nan 0.000 0.458 267 P HA 0.198 nan 4.420 nan 0.000 0.273 267 P C -1.015 176.344 177.300 0.098 0.000 1.250 267 P CA -0.357 62.791 63.100 0.080 0.000 0.793 267 P CB 0.288 32.033 31.700 0.077 0.000 1.011 268 D N 0.152 120.614 120.400 0.105 0.000 2.581 268 D HA -0.074 4.566 4.640 -0.000 0.000 0.238 268 D C 0.760 177.143 176.300 0.139 0.000 1.145 268 D CA 0.852 54.922 54.000 0.117 0.000 0.866 268 D CB 0.522 41.396 40.800 0.123 0.000 1.151 268 D HN 0.248 nan 8.370 nan 0.000 0.500 269 T N 4.346 118.990 114.554 0.150 0.000 2.746 269 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 269 T C 1.985 176.871 174.700 0.312 0.000 1.039 269 T CA 0.766 62.989 62.100 0.205 0.000 1.142 269 T CB 0.060 69.061 68.868 0.222 0.000 0.866 269 T HN 0.419 nan 8.240 nan 0.000 0.444 270 I N 1.687 122.415 120.570 0.264 0.000 2.252 270 I HA -0.068 4.102 4.170 -0.000 0.000 0.245 270 I C 2.722 179.051 176.117 0.354 0.000 1.102 270 I CA 1.009 62.489 61.300 0.301 0.000 1.385 270 I CB -0.660 37.459 38.000 0.199 0.000 1.064 270 I HN 0.160 nan 8.210 nan 0.000 0.414 271 A N -0.428 122.596 122.820 0.341 0.000 2.019 271 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 271 A C 2.262 179.961 177.584 0.192 0.000 1.164 271 A CA 1.393 53.683 52.037 0.421 0.000 0.644 271 A CB -0.533 18.729 19.000 0.437 0.000 0.805 271 A HN 0.513 nan 8.150 nan 0.000 0.449 272 Q N -1.646 118.227 119.800 0.122 0.000 2.046 272 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 272 Q C 1.935 177.851 176.000 -0.140 0.000 0.975 272 Q CA 1.577 57.350 55.803 -0.049 0.000 0.836 272 Q CB -0.222 28.430 28.738 -0.144 0.000 0.896 272 Q HN 0.904 nan 8.270 nan 0.000 0.428 273 W N 0.582 121.894 121.300 0.019 0.000 2.388 273 W HA -0.108 4.552 4.660 -0.000 0.000 0.294 273 W C 2.479 178.960 176.519 -0.064 0.000 1.212 273 W CA 0.940 58.277 57.345 -0.014 0.000 1.271 273 W CB -0.242 29.221 29.460 0.006 0.000 1.126 273 W HN 0.165 nan 8.180 nan 0.000 0.535 274 A N -0.099 122.802 122.820 0.136 0.000 1.908 274 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 274 A C 1.873 179.309 177.584 -0.246 0.000 1.181 274 A CA 2.453 54.428 52.037 -0.103 0.000 0.627 274 A CB -1.270 17.561 19.000 -0.281 0.000 0.818 274 A HN 0.240 nan 8.150 nan 0.000 0.445 275 T N 0.217 114.650 114.554 -0.202 0.000 2.821 275 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 275 T C 1.812 176.393 174.700 -0.199 0.000 1.046 275 T CA 1.050 63.027 62.100 -0.204 0.000 1.139 275 T CB -0.338 68.489 68.868 -0.070 0.000 0.871 275 T HN 0.358 nan 8.240 nan 0.000 0.454 276 L N 0.976 122.103 121.223 -0.161 0.000 2.043 276 L HA -0.198 4.141 4.340 -0.000 0.000 0.212 276 L C 2.688 179.485 176.870 -0.121 0.000 1.075 276 L CA 1.937 56.687 54.840 -0.150 0.000 0.752 276 L CB -0.315 41.673 42.059 -0.118 0.000 0.891 276 L HN 0.280 nan 8.230 nan 0.000 0.432 277 E N 0.073 120.208 120.200 -0.108 0.000 2.072 277 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 277 E C 2.002 178.497 176.600 -0.175 0.000 0.985 277 E CA 1.525 57.864 56.400 -0.101 0.000 0.801 277 E CB -0.144 29.500 29.700 -0.093 0.000 0.750 277 E HN 0.476 nan 8.360 nan 0.000 0.452 278 A N 0.433 123.032 122.820 -0.369 0.000 1.933 278 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 278 A C 2.239 179.531 177.584 -0.486 0.000 1.175 278 A CA 1.472 53.130 52.037 -0.631 0.000 0.628 278 A CB -0.583 17.776 19.000 -1.069 0.000 0.814 278 A HN 0.356 nan 8.150 nan 0.000 0.444 279 L N -0.705 120.340 121.223 -0.297 0.000 2.162 279 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 279 L C 2.899 179.695 176.870 -0.123 0.000 1.086 279 L CA 1.635 56.369 54.840 -0.177 0.000 0.778 279 L CB -0.724 41.219 42.059 -0.192 0.000 0.928 279 L HN 0.616 nan 8.230 nan 0.000 0.446 280 T N -3.859 110.628 114.554 -0.111 0.000 2.978 280 T HA -0.062 4.288 4.350 -0.000 0.000 0.262 280 T C 1.221 175.885 174.700 -0.060 0.000 1.063 280 T CA 0.209 62.266 62.100 -0.072 0.000 1.140 280 T CB -0.318 68.518 68.868 -0.053 0.000 0.886 280 T HN 0.035 nan 8.240 nan 0.000 0.470 281 N N 1.989 120.653 118.700 -0.061 0.000 2.968 281 N HA 0.147 4.887 4.740 -0.000 0.000 0.271 281 N C 0.918 176.366 175.510 -0.104 0.000 1.174 281 N CA -0.072 52.936 53.050 -0.069 0.000 1.096 281 N CB 0.452 38.921 38.487 -0.030 0.000 1.403 281 N HN 0.522 nan 8.380 nan 0.000 0.522 282 Q N 0.553 120.305 119.800 -0.080 0.000 2.084 282 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 282 Q C 1.450 177.400 176.000 -0.083 0.000 0.978 282 Q CA 1.353 57.115 55.803 -0.068 0.000 0.844 282 Q CB 0.098 28.808 28.738 -0.045 0.000 0.898 282 Q HN 0.647 nan 8.270 nan 0.000 0.426 283 E N 0.300 120.442 120.200 -0.097 0.000 2.051 283 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 283 E C 1.880 178.393 176.600 -0.145 0.000 0.991 283 E CA 1.115 57.456 56.400 -0.100 0.000 0.799 283 E CB -0.069 29.578 29.700 -0.089 0.000 0.748 283 E HN 0.357 nan 8.360 nan 0.000 0.449 284 A N 0.413 123.077 122.820 -0.259 0.000 1.898 284 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 284 A C 2.370 179.730 177.584 -0.373 0.000 1.181 284 A CA 1.702 53.470 52.037 -0.449 0.000 0.620 284 A CB -0.434 18.023 19.000 -0.904 0.000 0.819 284 A HN 0.273 nan 8.150 nan 0.000 0.442 285 S N -0.807 114.739 115.700 -0.257 0.000 2.371 285 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 285 S C 2.087 176.754 174.600 0.112 0.000 1.029 285 S CA 0.991 59.220 58.200 0.049 0.000 0.978 285 S CB -0.348 62.867 63.200 0.025 0.000 0.833 285 S HN 0.614 nan 8.310 nan 0.000 0.466 286 R N 1.426 121.931 120.500 0.008 0.000 2.127 286 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 286 R C 2.239 178.532 176.300 -0.013 0.000 1.134 286 R CA 1.375 57.467 56.100 -0.014 0.000 0.975 286 R CB -0.464 29.814 30.300 -0.037 0.000 0.865 286 R HN 0.402 nan 8.270 nan 0.000 0.447 287 A N 0.414 123.227 122.820 -0.011 0.000 1.898 287 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 287 A C 1.930 179.522 177.584 0.012 0.000 1.181 287 A CA 1.117 53.146 52.037 -0.014 0.000 0.620 287 A CB -0.714 18.269 19.000 -0.028 0.000 0.819 287 A HN 0.482 nan 8.150 nan 0.000 0.442 288 F N 0.849 120.763 119.950 -0.060 0.000 2.075 288 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 288 F C 2.248 177.989 175.800 -0.099 0.000 1.113 288 F CA 1.916 59.878 58.000 -0.064 0.000 1.218 288 F CB -0.472 38.554 39.000 0.044 0.000 0.984 288 F HN 0.017 nan 8.300 nan 0.000 0.472 289 V N 0.912 120.792 119.914 -0.057 0.000 2.332 289 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 289 V C 2.442 178.406 176.094 -0.217 0.000 1.055 289 V CA 2.222 64.417 62.300 -0.175 0.000 1.038 289 V CB -0.733 31.029 31.823 -0.102 0.000 0.651 289 V HN 0.340 nan 8.190 nan 0.000 0.450 290 E N -0.539 119.568 120.200 -0.156 0.000 2.077 290 E HA -0.231 4.118 4.350 -0.000 0.000 0.193 290 E C 2.114 178.603 176.600 -0.185 0.000 0.989 290 E CA 1.415 57.742 56.400 -0.122 0.000 0.800 290 E CB -0.404 29.247 29.700 -0.080 0.000 0.746 290 E HN 0.563 nan 8.360 nan 0.000 0.452 291 M N 0.547 119.982 119.600 -0.275 0.000 2.132 291 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 291 M C 2.164 178.150 176.300 -0.524 0.000 1.065 291 M CA 1.657 56.753 55.300 -0.340 0.000 1.122 291 M CB -0.138 32.257 32.600 -0.342 0.000 1.365 291 M HN 0.060 nan 8.290 nan 0.000 0.411 292 A N 0.601 122.923 122.820 -0.830 0.000 1.898 292 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 292 A C 2.232 179.426 177.584 -0.650 0.000 1.181 292 A CA 1.686 53.080 52.037 -1.072 0.000 0.620 292 A CB -0.812 17.442 19.000 -1.244 0.000 0.819 292 A HN 0.632 nan 8.150 nan 0.000 0.442 293 R N -0.246 120.107 120.500 -0.244 0.000 2.083 293 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 293 R C 1.699 178.070 176.300 0.118 0.000 1.137 293 R CA 1.841 58.023 56.100 0.137 0.000 0.951 293 R CB -0.268 30.125 30.300 0.153 0.000 0.851 293 R HN 0.434 nan 8.270 nan 0.000 0.434 294 E N 0.248 120.435 120.200 -0.023 0.000 2.204 294 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 294 E C 1.793 178.364 176.600 -0.049 0.000 0.989 294 E CA 1.145 57.532 56.400 -0.022 0.000 0.824 294 E CB -0.178 29.497 29.700 -0.040 0.000 0.756 294 E HN 0.501 nan 8.360 nan 0.000 0.477 295 A N 0.497 123.259 122.820 -0.096 0.000 1.897 295 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 295 A C 1.899 179.504 177.584 0.035 0.000 1.181 295 A CA 0.937 52.951 52.037 -0.039 0.000 0.620 295 A CB -0.619 18.399 19.000 0.029 0.000 0.821 295 A HN 0.159 nan 8.150 nan 0.000 0.443 296 Y N -0.231 120.153 120.300 0.141 0.000 2.200 296 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 296 Y C 2.487 178.258 175.900 -0.215 0.000 1.137 296 Y CA 1.070 59.261 58.100 0.152 0.000 1.163 296 Y CB -0.769 37.926 38.460 0.392 0.000 0.988 296 Y HN 0.315 nan 8.280 nan 0.000 0.518 297 R N 0.774 121.127 120.500 -0.244 0.000 2.083 297 R HA -0.225 4.115 4.340 -0.000 0.000 0.237 297 R C 2.455 178.576 176.300 -0.299 0.000 1.137 297 R CA 1.880 57.670 56.100 -0.516 0.000 0.951 297 R CB -0.264 29.878 30.300 -0.263 0.000 0.851 297 R HN 0.278 nan 8.270 nan 0.000 0.434 298 R N 0.280 120.689 120.500 -0.153 0.000 2.120 298 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 298 R C 2.133 178.357 176.300 -0.127 0.000 1.123 298 R CA 1.598 57.633 56.100 -0.109 0.000 0.975 298 R CB -0.009 30.258 30.300 -0.056 0.000 0.866 298 R HN 0.245 nan 8.270 nan 0.000 0.446 299 R N -0.490 119.934 120.500 -0.127 0.000 2.127 299 R HA -0.003 4.337 4.340 -0.000 0.000 0.217 299 R C 2.430 178.507 176.300 -0.371 0.000 1.074 299 R CA 0.964 56.984 56.100 -0.133 0.000 0.991 299 R CB -0.263 30.064 30.300 0.046 0.000 0.895 299 R HN 0.193 nan 8.270 nan 0.000 0.450 300 R N 1.388 121.472 120.500 -0.693 0.000 2.070 300 R HA -0.167 4.173 4.340 -0.000 0.000 0.232 300 R C 1.154 177.197 176.300 -0.429 0.000 1.138 300 R CA 2.220 57.742 56.100 -0.964 0.000 0.936 300 R CB -0.226 29.512 30.300 -0.938 0.000 0.839 300 R HN 0.072 nan 8.270 nan 0.000 0.429 301 D N 0.962 121.185 120.400 -0.295 0.000 2.133 301 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 301 D C 1.904 178.134 176.300 -0.118 0.000 0.997 301 D CA 1.129 55.033 54.000 -0.161 0.000 0.840 301 D CB -0.318 40.408 40.800 -0.123 0.000 0.947 301 D HN 0.283 nan 8.370 nan 0.000 0.452 302 L N 0.127 121.276 121.223 -0.123 0.000 1.994 302 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 302 L C 2.373 179.209 176.870 -0.056 0.000 1.071 302 L CA 1.044 55.839 54.840 -0.076 0.000 0.745 302 L CB -0.201 41.816 42.059 -0.069 0.000 0.892 302 L HN 0.081 nan 8.230 nan 0.000 0.431 303 L N -0.456 120.721 121.223 -0.077 0.000 1.970 303 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 303 L C 2.597 179.472 176.870 0.008 0.000 1.071 303 L CA 1.703 56.533 54.840 -0.017 0.000 0.751 303 L CB -0.319 41.732 42.059 -0.014 0.000 0.889 303 L HN 0.351 nan 8.230 nan 0.000 0.432 304 L N -0.539 120.666 121.223 -0.031 0.000 2.079 304 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 304 L C 2.477 179.352 176.870 0.008 0.000 1.081 304 L CA 1.446 56.284 54.840 -0.002 0.000 0.752 304 L CB -0.542 41.505 42.059 -0.021 0.000 0.896 304 L HN 0.349 nan 8.230 nan 0.000 0.433 305 E N -0.144 120.052 120.200 -0.007 0.000 2.110 305 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 305 E C 2.227 178.838 176.600 0.018 0.000 0.988 305 E CA 0.986 57.388 56.400 0.002 0.000 0.804 305 E CB -0.253 29.442 29.700 -0.009 0.000 0.745 305 E HN 0.574 nan 8.360 nan 0.000 0.458 306 G N 1.106 109.922 108.800 0.028 0.000 2.408 306 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.217 306 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.217 306 G C 1.576 176.523 174.900 0.079 0.000 1.150 306 G CA 0.281 45.411 45.100 0.051 0.000 0.776 306 G HN 0.063 nan 8.290 nan 0.000 0.542 307 L N 0.344 121.618 121.223 0.085 0.000 2.027 307 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 307 L C 3.186 180.083 176.870 0.045 0.000 1.074 307 L CA 1.542 56.430 54.840 0.080 0.000 0.745 307 L CB -0.950 41.152 42.059 0.072 0.000 0.898 307 L HN 0.142 nan 8.230 nan 0.000 0.433 308 T N 0.136 114.712 114.554 0.037 0.000 2.699 308 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 308 T C 1.937 176.651 174.700 0.024 0.000 1.036 308 T CA 1.569 63.684 62.100 0.026 0.000 1.147 308 T CB -0.272 68.608 68.868 0.021 0.000 0.862 308 T HN 0.469 nan 8.240 nan 0.000 0.446 309 A N 0.732 123.568 122.820 0.028 0.000 2.015 309 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 309 A C 2.115 179.717 177.584 0.029 0.000 1.163 309 A CA 1.000 53.053 52.037 0.026 0.000 0.646 309 A CB -0.581 18.434 19.000 0.026 0.000 0.806 309 A HN 0.518 nan 8.150 nan 0.000 0.448 310 L N -1.396 119.850 121.223 0.039 0.000 2.558 310 L HA 0.206 4.546 4.340 -0.000 0.000 0.225 310 L C 1.568 178.449 176.870 0.018 0.000 1.128 310 L CA 0.507 55.370 54.840 0.039 0.000 0.868 310 L CB -0.136 41.962 42.059 0.066 0.000 1.006 310 L HN 0.552 nan 8.230 nan 0.000 0.454 311 G N 0.857 109.665 108.800 0.013 0.000 2.137 311 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.237 311 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.237 311 G C -0.041 174.854 174.900 -0.009 0.000 1.002 311 G CA -0.238 44.864 45.100 0.003 0.000 0.702 311 G HN 0.212 nan 8.290 nan 0.000 0.515 312 L N 0.133 121.348 121.223 -0.013 0.000 2.289 312 L HA 0.492 4.832 4.340 -0.000 0.000 0.285 312 L C 0.804 177.669 176.870 -0.008 0.000 1.049 312 L CA -0.793 54.026 54.840 -0.036 0.000 0.804 312 L CB 1.327 43.337 42.059 -0.082 0.000 1.195 312 L HN 0.023 nan 8.230 nan 0.000 0.428 313 K N 2.538 122.936 120.400 -0.003 0.000 2.185 313 K HA 0.765 5.085 4.320 -0.000 0.000 0.271 313 K C -0.554 176.091 176.600 0.076 0.000 1.013 313 K CA -0.358 55.949 56.287 0.033 0.000 0.943 313 K CB 1.487 34.008 32.500 0.035 0.000 0.998 313 K HN 0.691 nan 8.250 nan 0.000 0.468 314 A N 1.680 124.561 122.820 0.102 0.000 2.530 314 A HA 0.251 4.571 4.320 -0.000 0.000 0.297 314 A C -1.097 176.574 177.584 0.145 0.000 1.059 314 A CA -0.816 51.309 52.037 0.146 0.000 0.782 314 A CB 0.823 19.893 19.000 0.116 0.000 1.301 314 A HN 0.373 nan 8.150 nan 0.000 0.394 315 V N 2.968 123.003 119.914 0.202 0.000 2.521 315 V HA 0.169 4.289 4.120 -0.000 0.000 0.286 315 V C 1.214 177.407 176.094 0.166 0.000 1.034 315 V CA 0.089 62.500 62.300 0.185 0.000 1.045 315 V CB 0.813 32.811 31.823 0.292 0.000 0.974 315 V HN 0.858 nan 8.190 nan 0.000 0.480 316 R N 7.384 127.959 120.500 0.125 0.000 2.404 316 R HA 0.160 4.500 4.340 -0.000 0.000 0.315 316 R C -2.098 174.289 176.300 0.145 0.000 1.032 316 R CA -1.072 55.096 56.100 0.115 0.000 0.992 316 R CB 0.487 30.837 30.300 0.083 0.000 0.959 316 R HN 0.561 nan 8.270 nan 0.000 0.428 317 P HA 0.089 nan 4.420 nan 0.000 0.275 317 P C -0.735 176.703 177.300 0.230 0.000 1.228 317 P CA -0.257 62.962 63.100 0.198 0.000 0.786 317 P CB 1.682 33.532 31.700 0.250 0.000 0.927 318 S N 0.091 115.908 115.700 0.195 0.000 2.603 318 S HA 0.422 4.892 4.470 -0.000 0.000 0.232 318 S C 0.638 175.262 174.600 0.039 0.000 1.016 318 S CA -0.004 58.308 58.200 0.186 0.000 0.976 318 S CB 0.512 63.783 63.200 0.119 0.000 0.921 318 S HN 0.843 nan 8.310 nan 0.000 0.516 319 G N 0.107 108.905 108.800 -0.002 0.000 2.600 319 G HA2 0.695 4.655 3.960 -0.000 0.000 0.293 319 G HA3 0.695 4.655 3.960 -0.000 0.000 0.293 319 G C -0.492 174.284 174.900 -0.207 0.000 1.408 319 G CA 0.094 45.036 45.100 -0.263 0.000 0.782 319 G HN 0.756 nan 8.290 nan 0.000 0.482 320 A N -1.300 121.279 122.820 -0.402 0.000 6.359 320 A HA 0.232 4.552 4.320 -0.000 0.000 0.256 320 A C 0.145 177.307 177.584 -0.704 0.000 2.122 320 A CA 1.633 53.191 52.037 -0.799 0.000 0.707 320 A CB -1.421 16.988 19.000 -0.984 0.000 1.048 320 A HN 2.356 nan 8.150 nan 0.000 0.373 321 F N -3.091 116.212 119.950 -1.079 0.000 2.688 321 F HA 0.722 5.249 4.527 -0.000 0.000 0.376 321 F C -0.554 174.255 175.800 -1.652 0.000 1.428 321 F CA -1.187 55.919 58.000 -1.489 0.000 1.156 321 F CB -0.826 37.314 39.000 -1.434 0.000 1.141 321 F HN 0.501 nan 8.300 nan 0.000 0.521 322 Y N -0.977 119.085 120.300 -0.397 0.000 2.576 322 Y HA 0.812 5.361 4.550 -0.000 0.000 0.346 322 Y C -0.585 175.296 175.900 -0.032 0.000 1.018 322 Y CA -2.045 55.926 58.100 -0.216 0.000 1.050 322 Y CB 2.335 40.647 38.460 -0.247 0.000 1.280 322 Y HN -0.096 nan 8.280 nan 0.000 0.474 323 V N 2.860 122.877 119.914 0.172 0.000 2.733 323 V HA 0.331 4.451 4.120 -0.000 0.000 0.306 323 V C -0.878 175.242 176.094 0.043 0.000 1.084 323 V CA -0.917 61.468 62.300 0.143 0.000 0.905 323 V CB 2.281 34.230 31.823 0.211 0.000 1.010 323 V HN 0.601 nan 8.190 nan 0.000 0.424 324 L N 5.158 126.372 121.223 -0.015 0.000 2.260 324 L HA 0.544 4.884 4.340 -0.000 0.000 0.289 324 L C -0.087 176.864 176.870 0.135 0.000 1.057 324 L CA 0.011 54.821 54.840 -0.050 0.000 0.811 324 L CB 1.152 43.043 42.059 -0.280 0.000 1.184 324 L HN 0.657 nan 8.230 nan 0.000 0.429 325 M N 4.479 124.161 119.600 0.137 0.000 2.180 325 M HA 0.213 4.693 4.480 -0.000 0.000 0.350 325 M C -0.330 176.028 176.300 0.097 0.000 1.125 325 M CA -0.529 54.841 55.300 0.116 0.000 1.031 325 M CB 1.310 33.910 32.600 0.000 0.000 1.623 325 M HN 0.441 nan 8.290 nan 0.000 0.451 326 D N 3.631 124.049 120.400 0.031 0.000 2.358 326 D HA 0.012 4.652 4.640 -0.000 0.000 0.258 326 D C 0.489 176.683 176.300 -0.177 0.000 1.223 326 D CA 0.266 54.116 54.000 -0.251 0.000 0.886 326 D CB 1.067 41.768 40.800 -0.165 0.000 1.120 326 D HN 0.789 nan 8.370 nan 0.000 0.482 327 T N 0.112 114.552 114.554 -0.189 0.000 3.235 327 T HA 0.048 4.398 4.350 -0.000 0.000 0.251 327 T C 1.641 176.280 174.700 -0.102 0.000 1.060 327 T CA -0.309 61.713 62.100 -0.130 0.000 0.949 327 T CB 0.192 69.004 68.868 -0.092 0.000 1.020 327 T HN 0.146 nan 8.240 nan 0.000 0.564 328 S N 3.022 118.657 115.700 -0.109 0.000 2.374 328 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 328 S C -0.495 174.072 174.600 -0.054 0.000 1.037 328 S CA 1.359 59.516 58.200 -0.072 0.000 1.024 328 S CB -1.247 61.913 63.200 -0.068 0.000 0.861 328 S HN 0.502 nan 8.310 nan 0.000 0.456 329 P HA 0.024 nan 4.420 nan 0.000 0.220 329 P C 1.025 178.301 177.300 -0.042 0.000 1.148 329 P CA 0.874 63.947 63.100 -0.045 0.000 0.803 329 P CB -0.036 31.633 31.700 -0.051 0.000 0.782 330 I N -2.419 118.119 120.570 -0.054 0.000 2.494 330 I HA 0.112 4.282 4.170 -0.000 0.000 0.250 330 I C 1.103 177.206 176.117 -0.024 0.000 1.112 330 I CA 0.260 61.535 61.300 -0.042 0.000 1.438 330 I CB -0.056 37.906 38.000 -0.063 0.000 1.111 330 I HN -0.119 nan 8.210 nan 0.000 0.431 331 A N 0.079 122.884 122.820 -0.026 0.000 2.564 331 A HA 0.473 4.793 4.320 -0.000 0.000 0.291 331 A C -2.209 175.366 177.584 -0.014 0.000 1.102 331 A CA -0.632 51.397 52.037 -0.013 0.000 0.660 331 A CB 0.110 19.108 19.000 -0.004 0.000 1.283 331 A HN -0.130 nan 8.150 nan 0.000 0.430 332 P HA 0.074 nan 4.420 nan 0.000 0.231 332 P C -0.435 176.869 177.300 0.005 0.000 1.168 332 P CA 1.272 64.369 63.100 -0.004 0.000 0.779 332 P CB 0.055 31.754 31.700 -0.001 0.000 0.844 333 D N -1.140 119.269 120.400 0.015 0.000 2.609 333 D HA 0.054 4.694 4.640 -0.000 0.000 0.239 333 D C 0.085 176.411 176.300 0.043 0.000 1.229 333 D CA -0.481 53.543 54.000 0.040 0.000 0.808 333 D CB 1.312 42.144 40.800 0.053 0.000 1.448 333 D HN -0.316 nan 8.370 nan 0.000 0.433 334 E N 0.271 120.514 120.200 0.071 0.000 2.160 334 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 334 E C 1.930 178.565 176.600 0.058 0.000 0.991 334 E CA 1.133 57.570 56.400 0.062 0.000 0.810 334 E CB -0.342 29.409 29.700 0.084 0.000 0.742 334 E HN 0.349 nan 8.360 nan 0.000 0.466 335 V N 0.830 120.785 119.914 0.068 0.000 2.307 335 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 335 V C 2.398 178.518 176.094 0.043 0.000 1.045 335 V CA 1.877 64.212 62.300 0.057 0.000 1.024 335 V CB -0.440 31.420 31.823 0.061 0.000 0.651 335 V HN 0.141 nan 8.190 nan 0.000 0.449 336 R N 1.114 121.636 120.500 0.037 0.000 2.092 336 R HA -0.020 4.320 4.340 -0.000 0.000 0.231 336 R C 2.093 178.407 176.300 0.024 0.000 1.119 336 R CA 1.788 57.904 56.100 0.027 0.000 0.970 336 R CB -0.952 29.360 30.300 0.022 0.000 0.864 336 R HN 0.438 nan 8.270 nan 0.000 0.440 337 A N 0.180 123.011 122.820 0.020 0.000 1.898 337 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 337 A C 2.332 179.928 177.584 0.021 0.000 1.181 337 A CA 1.636 53.679 52.037 0.009 0.000 0.620 337 A CB -0.966 18.029 19.000 -0.008 0.000 0.819 337 A HN 0.450 nan 8.150 nan 0.000 0.442 338 A N -0.486 122.354 122.820 0.033 0.000 2.015 338 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 338 A C 1.902 179.515 177.584 0.049 0.000 1.163 338 A CA 1.539 53.604 52.037 0.047 0.000 0.646 338 A CB -0.405 18.627 19.000 0.053 0.000 0.806 338 A HN 0.637 nan 8.150 nan 0.000 0.448 339 E N -0.429 119.795 120.200 0.040 0.000 2.047 339 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 339 E C 2.350 178.973 176.600 0.039 0.000 0.987 339 E CA 0.882 57.304 56.400 0.037 0.000 0.799 339 E CB -0.118 29.600 29.700 0.031 0.000 0.752 339 E HN 0.522 nan 8.360 nan 0.000 0.449 340 R N 0.402 120.924 120.500 0.037 0.000 2.081 340 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 340 R C 2.507 178.842 176.300 0.058 0.000 1.131 340 R CA 0.959 57.083 56.100 0.040 0.000 0.960 340 R CB -0.400 29.919 30.300 0.031 0.000 0.856 340 R HN 0.208 nan 8.270 nan 0.000 0.436 341 L N 0.684 121.951 121.223 0.074 0.000 2.046 341 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 341 L C 2.574 179.504 176.870 0.100 0.000 1.077 341 L CA 0.978 55.890 54.840 0.120 0.000 0.747 341 L CB -0.431 41.720 42.059 0.155 0.000 0.896 341 L HN 0.246 nan 8.230 nan 0.000 0.432 342 L N -0.057 121.210 121.223 0.074 0.000 2.083 342 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 342 L C 2.376 179.273 176.870 0.045 0.000 1.083 342 L CA 1.601 56.475 54.840 0.056 0.000 0.752 342 L CB -0.201 41.886 42.059 0.046 0.000 0.899 342 L HN 0.365 nan 8.230 nan 0.000 0.433 343 E N -0.563 119.664 120.200 0.044 0.000 2.338 343 E HA -0.137 4.213 4.350 -0.000 0.000 0.197 343 E C 1.644 178.266 176.600 0.037 0.000 1.007 343 E CA 0.852 57.273 56.400 0.035 0.000 0.849 343 E CB 0.014 29.733 29.700 0.032 0.000 0.774 343 E HN 0.502 nan 8.360 nan 0.000 0.506 344 A N -0.207 122.643 122.820 0.050 0.000 2.308 344 A HA 0.389 4.709 4.320 -0.000 0.000 0.217 344 A C 1.460 179.065 177.584 0.035 0.000 1.216 344 A CA 0.526 52.593 52.037 0.051 0.000 0.864 344 A CB 0.085 19.134 19.000 0.081 0.000 0.902 344 A HN 0.259 nan 8.150 nan 0.000 0.499 345 G N -1.493 107.325 108.800 0.030 0.000 2.131 345 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.223 345 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.223 345 G C -0.113 174.790 174.900 0.005 0.000 0.990 345 G CA 0.082 45.188 45.100 0.011 0.000 0.671 345 G HN 0.956 nan 8.290 nan 0.000 0.521 346 V N 0.329 120.264 119.914 0.035 0.000 2.483 346 V HA 0.805 4.925 4.120 -0.000 0.000 0.297 346 V C 0.410 176.554 176.094 0.083 0.000 1.027 346 V CA -0.451 61.874 62.300 0.041 0.000 0.855 346 V CB 1.654 33.505 31.823 0.046 0.000 0.995 346 V HN 1.215 nan 8.190 nan 0.000 0.424 347 A N 5.191 128.048 122.820 0.063 0.000 2.260 347 A HA 0.852 5.172 4.320 -0.000 0.000 0.308 347 A C -0.192 177.446 177.584 0.090 0.000 1.254 347 A CA -0.382 51.697 52.037 0.070 0.000 0.874 347 A CB 0.924 19.953 19.000 0.049 0.000 1.153 347 A HN 1.336 nan 8.150 nan 0.000 0.527 348 V N 0.548 120.523 119.914 0.102 0.000 3.113 348 V HA 0.821 4.941 4.120 -0.000 0.000 0.316 348 V C -0.325 175.824 176.094 0.093 0.000 1.125 348 V CA -0.888 61.475 62.300 0.106 0.000 1.026 348 V CB 1.635 33.529 31.823 0.119 0.000 1.080 348 V HN 0.541 nan 8.190 nan 0.000 0.444 349 V N 3.097 123.068 119.914 0.095 0.000 2.350 349 V HA 0.417 4.537 4.120 -0.000 0.000 0.276 349 V C -2.113 174.054 176.094 0.122 0.000 1.028 349 V CA -1.572 60.805 62.300 0.128 0.000 0.860 349 V CB 1.018 32.960 31.823 0.198 0.000 0.990 349 V HN 0.898 nan 8.190 nan 0.000 0.453 350 P HA 0.074 nan 4.420 nan 0.000 0.269 350 P C 0.939 178.329 177.300 0.149 0.000 1.209 350 P CA 0.145 63.304 63.100 0.099 0.000 0.776 350 P CB 1.026 32.774 31.700 0.080 0.000 0.876 351 G N 1.845 110.700 108.800 0.091 0.000 2.848 351 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.208 351 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.208 351 G C 1.221 176.104 174.900 -0.028 0.000 1.152 351 G CA 0.287 45.441 45.100 0.090 0.000 0.789 351 G HN 0.414 nan 8.290 nan 0.000 0.531 352 T N 1.430 115.946 114.554 -0.063 0.000 2.570 352 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 352 T C 1.803 176.335 174.700 -0.279 0.000 1.071 352 T CA 1.726 63.705 62.100 -0.202 0.000 1.172 352 T CB -0.259 68.619 68.868 0.017 0.000 0.864 352 T HN 0.220 nan 8.240 nan 0.000 0.421 353 D N 0.208 120.508 120.400 -0.167 0.000 2.350 353 D HA 0.034 4.673 4.640 -0.000 0.000 0.216 353 D C 1.258 177.362 176.300 -0.327 0.000 0.968 353 D CA 0.478 54.337 54.000 -0.234 0.000 0.894 353 D CB -0.309 40.324 40.800 -0.279 0.000 0.909 353 D HN 0.428 nan 8.370 nan 0.000 0.520 354 F N 0.024 119.804 119.950 -0.283 0.000 2.765 354 F HA 0.312 4.839 4.527 -0.000 0.000 0.302 354 F C 1.612 176.971 175.800 -0.735 0.000 1.111 354 F CA 0.264 58.031 58.000 -0.387 0.000 1.359 354 F CB 0.129 38.942 39.000 -0.311 0.000 1.097 354 F HN -0.105 nan 8.300 nan 0.000 0.577 355 A N 0.294 122.777 122.820 -0.562 0.000 2.945 355 A HA -0.136 4.184 4.320 -0.000 0.000 0.251 355 A C 0.902 178.121 177.584 -0.609 0.000 1.355 355 A CA 0.614 52.221 52.037 -0.717 0.000 0.905 355 A CB -2.120 16.539 19.000 -0.569 0.000 1.104 355 A HN 0.598 nan 8.150 nan 0.000 0.733 356 A N -0.006 122.517 122.820 -0.494 0.000 3.175 356 A HA 0.632 4.952 4.320 -0.000 0.000 0.289 356 A C 0.022 177.531 177.584 -0.126 0.000 1.429 356 A CA -0.423 51.465 52.037 -0.249 0.000 1.155 356 A CB -0.675 18.164 19.000 -0.268 0.000 1.169 356 A HN 0.778 nan 8.150 nan 0.000 0.574 357 F N 0.289 120.318 119.950 0.132 0.000 2.506 357 F HA 0.405 4.932 4.527 0.000 0.000 0.351 357 F C 1.698 177.606 175.800 0.180 0.000 1.136 357 F CA 1.374 59.452 58.000 0.129 0.000 1.298 357 F CB 0.562 39.613 39.000 0.085 0.000 1.145 357 F HN 0.649 nan 8.300 nan 0.000 0.593 358 G N 0.628 109.584 108.800 0.260 0.000 2.184 358 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 358 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 358 G C -0.204 174.596 174.900 -0.167 0.000 0.975 358 G CA 0.304 45.429 45.100 0.042 0.000 0.642 358 G HN 0.825 nan 8.290 nan 0.000 0.536 359 H N -2.004 117.092 119.070 0.044 0.000 2.855 359 H HA 0.811 5.367 4.556 -0.000 0.000 0.363 359 H C -0.537 174.772 175.328 -0.031 0.000 1.185 359 H CA -0.539 55.507 56.048 -0.002 0.000 1.174 359 H CB 2.426 32.177 29.762 -0.018 0.000 1.857 359 H HN 0.262 nan 8.280 nan 0.000 0.565 360 V N 0.897 120.864 119.914 0.089 0.000 2.925 360 V HA 0.378 4.498 4.120 -0.000 0.000 0.311 360 V C -0.796 175.285 176.094 -0.022 0.000 1.104 360 V CA -0.833 61.480 62.300 0.022 0.000 0.954 360 V CB 2.259 34.089 31.823 0.012 0.000 1.022 360 V HN 0.647 nan 8.190 nan 0.000 0.427 361 R N 4.639 125.093 120.500 -0.076 0.000 2.294 361 R HA 0.675 5.015 4.340 -0.000 0.000 0.319 361 R C -1.448 174.859 176.300 0.010 0.000 0.984 361 R CA -0.455 55.569 56.100 -0.127 0.000 0.861 361 R CB 0.845 30.914 30.300 -0.384 0.000 1.104 361 R HN 0.652 nan 8.270 nan 0.000 0.451 362 L N 2.270 123.535 121.223 0.070 0.000 2.334 362 L HA 0.502 4.842 4.340 -0.000 0.000 0.272 362 L C -0.281 176.670 176.870 0.135 0.000 1.020 362 L CA -0.939 53.980 54.840 0.132 0.000 0.812 362 L CB 2.169 44.339 42.059 0.185 0.000 1.264 362 L HN 0.597 nan 8.230 nan 0.000 0.439 363 S N 0.144 115.893 115.700 0.082 0.000 2.519 363 S HA 0.388 4.858 4.470 -0.000 0.000 0.309 363 S C -0.540 173.999 174.600 -0.102 0.000 1.100 363 S CA -0.496 57.653 58.200 -0.086 0.000 1.059 363 S CB 1.036 64.170 63.200 -0.110 0.000 1.008 363 S HN 0.537 nan 8.310 nan 0.000 0.478 364 Y N -0.294 119.935 120.300 -0.119 0.000 2.867 364 Y HA 0.687 5.237 4.550 -0.000 0.000 0.351 364 Y C 0.690 176.484 175.900 -0.177 0.000 1.046 364 Y CA -1.109 56.930 58.100 -0.101 0.000 1.520 364 Y CB -0.498 37.941 38.460 -0.036 0.000 1.337 364 Y HN 0.603 nan 8.280 nan 0.000 0.525 365 A N 0.828 123.424 122.820 -0.373 0.000 3.012 365 A HA 0.494 4.814 4.320 -0.000 0.000 0.295 365 A C 0.439 177.872 177.584 -0.253 0.000 1.338 365 A CA 0.206 51.945 52.037 -0.497 0.000 0.981 365 A CB -0.940 17.335 19.000 -1.208 0.000 1.091 365 A HN 0.489 nan 8.150 nan 0.000 0.602 366 T N -2.912 111.570 114.554 -0.120 0.000 2.838 366 T HA 0.597 4.947 4.350 -0.000 0.000 0.292 366 T C 0.198 174.856 174.700 -0.071 0.000 1.113 366 T CA -0.061 61.974 62.100 -0.107 0.000 1.008 366 T CB 0.800 69.618 68.868 -0.083 0.000 1.259 366 T HN 0.627 nan 8.240 nan 0.000 0.520 367 S N -0.027 115.625 115.700 -0.079 0.000 2.566 367 S HA 0.085 4.555 4.470 -0.000 0.000 0.280 367 S C 0.968 175.546 174.600 -0.037 0.000 1.343 367 S CA -0.426 57.737 58.200 -0.061 0.000 1.036 367 S CB 0.113 63.279 63.200 -0.058 0.000 0.866 367 S HN 0.768 nan 8.310 nan 0.000 0.526 368 E N 0.745 120.927 120.200 -0.029 0.000 2.204 368 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 368 E C 1.922 178.503 176.600 -0.032 0.000 0.990 368 E CA 1.228 57.613 56.400 -0.025 0.000 0.821 368 E CB -0.085 29.602 29.700 -0.022 0.000 0.750 368 E HN 0.911 nan 8.360 nan 0.000 0.477 369 E N 0.940 121.119 120.200 -0.034 0.000 2.077 369 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 369 E C 1.783 178.355 176.600 -0.048 0.000 0.989 369 E CA 0.876 57.254 56.400 -0.037 0.000 0.800 369 E CB 0.121 29.802 29.700 -0.033 0.000 0.746 369 E HN 0.123 nan 8.360 nan 0.000 0.452 370 N N 0.751 119.421 118.700 -0.050 0.000 2.120 370 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 370 N C 2.082 177.546 175.510 -0.077 0.000 1.024 370 N CA 0.882 53.895 53.050 -0.061 0.000 0.852 370 N CB -0.329 38.124 38.487 -0.056 0.000 1.003 370 N HN 0.230 nan 8.380 nan 0.000 0.424 371 L N 0.796 121.983 121.223 -0.059 0.000 2.017 371 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 371 L C 2.490 179.307 176.870 -0.088 0.000 1.073 371 L CA 1.186 55.990 54.840 -0.061 0.000 0.745 371 L CB -0.309 41.737 42.059 -0.023 0.000 0.894 371 L HN 0.134 nan 8.230 nan 0.000 0.432 372 R N 0.040 120.499 120.500 -0.068 0.000 2.081 372 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 372 R C 2.352 178.598 176.300 -0.091 0.000 1.131 372 R CA 1.413 57.474 56.100 -0.065 0.000 0.960 372 R CB -0.258 30.015 30.300 -0.045 0.000 0.856 372 R HN 0.286 nan 8.270 nan 0.000 0.436 373 K N 0.584 120.927 120.400 -0.095 0.000 2.057 373 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 373 K C 2.033 178.529 176.600 -0.173 0.000 1.049 373 K CA 1.391 57.616 56.287 -0.105 0.000 0.931 373 K CB -0.061 32.389 32.500 -0.084 0.000 0.714 373 K HN 0.150 nan 8.250 nan 0.000 0.440 374 A N 1.205 123.877 122.820 -0.246 0.000 1.898 374 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 374 A C 2.064 179.222 177.584 -0.709 0.000 1.181 374 A CA 1.108 52.860 52.037 -0.476 0.000 0.620 374 A CB -0.569 18.135 19.000 -0.493 0.000 0.819 374 A HN 0.322 nan 8.150 nan 0.000 0.442 375 L N -0.663 120.302 121.223 -0.431 0.000 2.191 375 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 375 L C 2.496 179.309 176.870 -0.095 0.000 1.103 375 L CA 1.361 56.068 54.840 -0.223 0.000 0.769 375 L CB -0.452 41.576 42.059 -0.052 0.000 0.908 375 L HN 0.510 nan 8.230 nan 0.000 0.438 376 E N -0.215 119.918 120.200 -0.113 0.000 2.072 376 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 376 E C 2.302 178.886 176.600 -0.026 0.000 0.982 376 E CA 0.683 57.055 56.400 -0.046 0.000 0.803 376 E CB 0.088 29.759 29.700 -0.048 0.000 0.755 376 E HN 0.451 nan 8.360 nan 0.000 0.453 377 R N -0.024 120.427 120.500 -0.082 0.000 2.115 377 R HA -0.073 4.267 4.340 -0.000 0.000 0.230 377 R C 2.088 178.456 176.300 0.113 0.000 1.111 377 R CA 0.776 56.864 56.100 -0.021 0.000 0.976 377 R CB -0.214 30.045 30.300 -0.068 0.000 0.870 377 R HN 0.128 nan 8.270 nan 0.000 0.445 378 F N 1.454 121.409 119.950 0.009 0.000 2.134 378 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 378 F C 2.662 178.467 175.800 0.008 0.000 1.097 378 F CA 0.613 58.619 58.000 0.010 0.000 1.264 378 F CB -1.201 37.806 39.000 0.012 0.000 1.001 378 F HN 0.031 nan 8.300 nan 0.000 0.479 379 A N 1.275 124.221 122.820 0.210 0.000 1.859 379 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 379 A C 2.396 180.030 177.584 0.083 0.000 1.198 379 A CA 2.495 54.601 52.037 0.114 0.000 0.629 379 A CB -1.004 18.040 19.000 0.073 0.000 0.830 379 A HN 0.467 nan 8.150 nan 0.000 0.446 380 R N -0.592 119.950 120.500 0.070 0.000 2.127 380 R HA -0.070 4.270 4.340 -0.000 0.000 0.238 380 R C 1.672 178.005 176.300 0.056 0.000 1.134 380 R CA 1.658 57.789 56.100 0.051 0.000 0.975 380 R CB -1.041 29.281 30.300 0.037 0.000 0.865 380 R HN 0.269 nan 8.270 nan 0.000 0.447 381 V N 2.018 121.981 119.914 0.082 0.000 2.407 381 V HA -0.102 4.017 4.120 -0.000 0.000 0.248 381 V C 1.800 177.921 176.094 0.046 0.000 1.055 381 V CA 1.282 63.624 62.300 0.070 0.000 1.049 381 V CB -0.375 31.508 31.823 0.100 0.000 0.662 381 V HN 0.183 nan 8.190 nan 0.000 0.455 382 L N 0.000 121.252 121.223 0.049 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.857 54.840 0.028 0.000 0.813 382 L CB 0.000 42.074 42.059 0.026 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502