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 1hy0_1_B DATA FIRST_RESID 18 DATA SEQUENCE DPIMQMLSTS ISTEQRLSEV DIQASIAYAK ALEKAGILTK TELEKILSGL DATA SEQUENCE EKISEELSKG VIVVTQSDED IQTANERRLK ELIGDIAGKL HTGRSRNEQV DATA SEQUENCE VTDLKLFMKN SLSIISTHLL QLIKTLVERA AIEIDVILPG YTHLQKAQPI DATA SEQUENCE RWSQFLLSHA VALTRDSERL GEVKKRINVL PLGSGALAGN PLDIDREMLR DATA SEQUENCE SELEFASISL NSMDAISERD FVVEFLSVAT LLLIHLSKMA EDLIIYSTSE DATA SEQUENCE FGFLTLSDAF STGSSLMPQK KNPDSLELIR SKSGRVFGRL ASILMVLKGL DATA SEQUENCE PSTYNKDLQE DKEAVIDVVD TLTAVLQVAT GVISTLQISK ENMEKALTPE DATA SEQUENCE MLATDLALYL VRKGMPFRQA HTASGKAVHL AETKGIAINN LTLEDLKSIS DATA SEQUENCE PLFSSDVSQV FNFVNSVEQY TALGGTAKSS VTTQIEQLRE LMKKQKEQ 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 18 D HA 0.000 nan 4.640 nan 0.000 0.175 18 D C 0.000 176.299 176.300 -0.002 0.000 2.045 18 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 18 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 19 P HA -0.070 nan 4.420 nan 0.000 0.213 19 P C 1.965 179.263 177.300 -0.003 0.000 1.170 19 P CA 0.663 63.762 63.100 -0.003 0.000 0.898 19 P CB 0.159 31.858 31.700 -0.002 0.000 0.787 20 I N -1.775 118.792 120.570 -0.004 0.000 2.236 20 I HA -0.306 3.855 4.170 -0.016 0.000 0.249 20 I C 2.495 178.609 176.117 -0.005 0.000 1.102 20 I CA 1.399 62.697 61.300 -0.005 0.000 1.365 20 I CB -0.611 37.386 38.000 -0.005 0.000 1.051 20 I HN -0.002 nan 8.210 nan 0.000 0.420 21 M N 0.081 119.678 119.600 -0.004 0.000 2.108 21 M HA -0.267 4.203 4.480 -0.016 0.000 0.261 21 M C 2.269 178.566 176.300 -0.004 0.000 1.066 21 M CA 1.997 57.295 55.300 -0.004 0.000 1.107 21 M CB -0.623 31.975 32.600 -0.003 0.000 1.356 21 M HN 0.369 nan 8.290 nan 0.000 0.406 22 Q N -1.045 118.752 119.800 -0.004 0.000 2.369 22 Q HA -0.052 4.278 4.340 -0.016 0.000 0.206 22 Q C 1.821 177.818 176.000 -0.006 0.000 0.963 22 Q CA 0.798 56.599 55.803 -0.004 0.000 0.894 22 Q CB -0.089 28.646 28.738 -0.004 0.000 0.965 22 Q HN 0.547 nan 8.270 nan 0.000 0.475 23 M N 0.020 119.616 119.600 -0.006 0.000 2.460 23 M HA -0.084 4.386 4.480 -0.016 0.000 0.263 23 M C 1.423 177.718 176.300 -0.009 0.000 1.071 23 M CA 1.041 56.337 55.300 -0.007 0.000 1.096 23 M CB 0.176 32.772 32.600 -0.007 0.000 1.408 23 M HN 0.225 nan 8.290 nan 0.000 0.463 24 L N -0.690 120.528 121.223 -0.009 0.000 2.509 24 L HA 0.055 4.385 4.340 -0.016 0.000 0.222 24 L C 1.558 178.422 176.870 -0.010 0.000 1.123 24 L CA -0.352 54.482 54.840 -0.011 0.000 0.856 24 L CB -0.499 41.554 42.059 -0.011 0.000 0.985 24 L HN 0.254 nan 8.230 nan 0.000 0.456 25 S N -0.409 115.287 115.700 -0.008 0.000 2.633 25 S HA 0.150 4.611 4.470 -0.016 0.000 0.257 25 S C 0.634 175.228 174.600 -0.011 0.000 1.265 25 S CA -0.296 57.900 58.200 -0.007 0.000 0.980 25 S CB 0.509 63.706 63.200 -0.005 0.000 1.017 25 S HN 0.275 nan 8.310 nan 0.000 0.577 26 T N -0.572 113.975 114.554 -0.012 0.000 2.788 26 T HA 0.474 4.815 4.350 -0.016 0.000 0.287 26 T C 0.499 175.188 174.700 -0.018 0.000 1.007 26 T CA -0.313 61.776 62.100 -0.018 0.000 1.005 26 T CB 0.203 69.057 68.868 -0.023 0.000 1.012 26 T HN 1.044 nan 8.240 nan 0.000 0.530 27 S N 0.361 116.048 115.700 -0.021 0.000 2.632 27 S HA 0.331 4.792 4.470 -0.016 0.000 0.267 27 S C 1.442 176.029 174.600 -0.020 0.000 1.276 27 S CA -1.004 57.185 58.200 -0.018 0.000 0.998 27 S CB 0.118 63.308 63.200 -0.016 0.000 0.953 27 S HN 0.648 nan 8.310 nan 0.000 0.547 28 I N 1.464 122.024 120.570 -0.015 0.000 2.286 28 I HA -0.212 3.949 4.170 -0.016 0.000 0.248 28 I C 2.807 178.913 176.117 -0.018 0.000 1.115 28 I CA 1.577 62.868 61.300 -0.015 0.000 1.392 28 I CB -0.606 37.389 38.000 -0.009 0.000 1.065 28 I HN 0.910 nan 8.210 nan 0.000 0.418 29 S N -0.311 115.379 115.700 -0.017 0.000 2.368 29 S HA -0.166 4.294 4.470 -0.016 0.000 0.224 29 S C 1.976 176.555 174.600 -0.034 0.000 1.029 29 S CA 1.692 59.882 58.200 -0.017 0.000 0.988 29 S CB -0.902 62.292 63.200 -0.009 0.000 0.838 29 S HN 0.346 nan 8.310 nan 0.000 0.462 30 T N 2.321 116.848 114.554 -0.044 0.000 2.708 30 T HA -0.042 4.298 4.350 -0.016 0.000 0.266 30 T C 1.828 176.471 174.700 -0.096 0.000 1.037 30 T CA 1.514 63.568 62.100 -0.077 0.000 1.146 30 T CB -0.359 68.469 68.868 -0.067 0.000 0.865 30 T HN 0.428 nan 8.240 nan 0.000 0.435 31 E N 1.122 121.283 120.200 -0.064 0.000 2.072 31 E HA -0.087 4.254 4.350 -0.016 0.000 0.191 31 E C 2.476 179.044 176.600 -0.053 0.000 0.985 31 E CA 0.723 57.088 56.400 -0.059 0.000 0.801 31 E CB -0.272 29.405 29.700 -0.038 0.000 0.750 31 E HN 0.406 nan 8.360 nan 0.000 0.452 32 Q N 0.470 120.247 119.800 -0.038 0.000 2.181 32 Q HA -0.109 4.222 4.340 -0.016 0.000 0.205 32 Q C 2.036 178.021 176.000 -0.024 0.000 0.980 32 Q CA 0.829 56.620 55.803 -0.021 0.000 0.862 32 Q CB -0.142 28.590 28.738 -0.010 0.000 0.905 32 Q HN 0.121 nan 8.270 nan 0.000 0.429 33 R N 0.150 120.616 120.500 -0.057 0.000 2.152 33 R HA -0.037 4.294 4.340 -0.016 0.000 0.232 33 R C 1.773 178.017 176.300 -0.093 0.000 1.117 33 R CA 0.699 56.754 56.100 -0.076 0.000 0.981 33 R CB -0.291 29.895 30.300 -0.190 0.000 0.870 33 R HN 0.294 nan 8.270 nan 0.000 0.451 34 L N -0.059 121.098 121.223 -0.110 0.000 2.700 34 L HA 0.167 4.497 4.340 -0.016 0.000 0.234 34 L C 1.944 178.813 176.870 -0.001 0.000 1.156 34 L CA -0.089 54.712 54.840 -0.065 0.000 0.946 34 L CB 0.200 42.196 42.059 -0.106 0.000 1.216 34 L HN 0.011 nan 8.230 nan 0.000 0.493 35 S N 0.696 116.399 115.700 0.005 0.000 2.348 35 S HA -0.189 4.272 4.470 -0.016 0.000 0.221 35 S C 1.814 176.433 174.600 0.031 0.000 1.033 35 S CA 1.684 59.893 58.200 0.015 0.000 1.010 35 S CB 0.098 63.306 63.200 0.013 0.000 0.891 35 S HN 0.503 nan 8.310 nan 0.000 0.442 36 E N 0.379 120.607 120.200 0.046 0.000 2.077 36 E HA -0.130 4.210 4.350 -0.016 0.000 0.193 36 E C 2.194 178.828 176.600 0.056 0.000 0.989 36 E CA 1.650 58.079 56.400 0.050 0.000 0.800 36 E CB -0.341 29.392 29.700 0.055 0.000 0.746 36 E HN 0.645 nan 8.360 nan 0.000 0.452 37 V N -0.422 119.538 119.914 0.076 0.000 2.515 37 V HA -0.198 3.913 4.120 -0.016 0.000 0.250 37 V C 1.872 178.005 176.094 0.064 0.000 1.058 37 V CA 2.124 64.474 62.300 0.082 0.000 1.064 37 V CB -0.491 31.406 31.823 0.123 0.000 0.675 37 V HN 0.059 nan 8.190 nan 0.000 0.461 38 D N 0.381 120.808 120.400 0.045 0.000 2.117 38 D HA -0.136 4.495 4.640 -0.016 0.000 0.198 38 D C 1.994 178.312 176.300 0.031 0.000 0.982 38 D CA 1.499 55.515 54.000 0.026 0.000 0.828 38 D CB -0.090 40.716 40.800 0.009 0.000 0.967 38 D HN 0.351 nan 8.370 nan 0.000 0.464 39 I N 0.819 121.410 120.570 0.035 0.000 2.252 39 I HA -0.197 3.964 4.170 -0.016 0.000 0.245 39 I C 2.394 178.539 176.117 0.046 0.000 1.102 39 I CA 1.123 62.446 61.300 0.038 0.000 1.385 39 I CB -1.292 36.729 38.000 0.034 0.000 1.064 39 I HN 0.331 nan 8.210 nan 0.000 0.414 40 Q N 1.030 120.859 119.800 0.049 0.000 2.096 40 Q HA -0.200 4.131 4.340 -0.016 0.000 0.204 40 Q C 2.236 178.278 176.000 0.070 0.000 0.982 40 Q CA 2.232 58.068 55.803 0.056 0.000 0.850 40 Q CB 0.032 28.803 28.738 0.055 0.000 0.901 40 Q HN 0.470 nan 8.270 nan 0.000 0.422 41 A N -0.131 122.731 122.820 0.070 0.000 1.929 41 A HA -0.086 4.224 4.320 -0.016 0.000 0.216 41 A C 2.206 179.838 177.584 0.080 0.000 1.176 41 A CA 1.474 53.555 52.037 0.073 0.000 0.628 41 A CB -0.393 18.634 19.000 0.045 0.000 0.816 41 A HN 0.406 nan 8.150 nan 0.000 0.444 42 S N -0.315 115.427 115.700 0.069 0.000 2.406 42 S HA -0.016 4.444 4.470 -0.016 0.000 0.228 42 S C 1.754 176.425 174.600 0.117 0.000 1.020 42 S CA 1.043 59.301 58.200 0.096 0.000 0.965 42 S CB -0.384 62.858 63.200 0.071 0.000 0.798 42 S HN 0.541 nan 8.310 nan 0.000 0.488 43 I N 1.526 122.146 120.570 0.084 0.000 2.226 43 I HA -0.213 3.948 4.170 -0.016 0.000 0.245 43 I C 2.652 178.813 176.117 0.073 0.000 1.100 43 I CA 1.076 62.417 61.300 0.068 0.000 1.374 43 I CB -0.414 37.616 38.000 0.050 0.000 1.057 43 I HN 0.272 nan 8.210 nan 0.000 0.413 44 A N 0.048 122.921 122.820 0.089 0.000 1.877 44 A HA -0.294 4.017 4.320 -0.016 0.000 0.216 44 A C 2.272 179.916 177.584 0.101 0.000 1.186 44 A CA 1.542 53.630 52.037 0.085 0.000 0.620 44 A CB -1.100 17.958 19.000 0.097 0.000 0.822 44 A HN 0.481 nan 8.150 nan 0.000 0.443 45 Y N 0.681 120.986 120.300 0.008 0.000 2.224 45 Y HA -0.117 4.422 4.550 -0.018 0.000 0.289 45 Y C 2.670 178.574 175.900 0.007 0.000 1.146 45 Y CA 0.932 59.033 58.100 0.003 0.000 1.182 45 Y CB -0.511 37.951 38.460 0.003 0.000 0.983 45 Y HN 0.333 nan 8.280 nan 0.000 0.524 46 A N 0.327 123.187 122.820 0.066 0.000 1.865 46 A HA -0.244 4.067 4.320 -0.016 0.000 0.217 46 A C 2.236 179.777 177.584 -0.072 0.000 1.191 46 A CA 2.200 54.232 52.037 -0.009 0.000 0.623 46 A CB -0.600 18.423 19.000 0.037 0.000 0.826 46 A HN 0.501 nan 8.150 nan 0.000 0.444 47 K N -0.322 120.053 120.400 -0.041 0.000 2.097 47 K HA -0.048 4.263 4.320 -0.016 0.000 0.206 47 K C 2.154 178.704 176.600 -0.083 0.000 1.049 47 K CA 1.115 57.375 56.287 -0.046 0.000 0.933 47 K CB -0.309 32.180 32.500 -0.018 0.000 0.717 47 K HN 0.451 nan 8.250 nan 0.000 0.442 48 A N 0.812 123.558 122.820 -0.123 0.000 2.014 48 A HA -0.080 4.231 4.320 -0.016 0.000 0.218 48 A C 1.949 179.393 177.584 -0.233 0.000 1.163 48 A CA 0.917 52.858 52.037 -0.159 0.000 0.652 48 A CB -0.201 18.699 19.000 -0.166 0.000 0.808 48 A HN 0.080 nan 8.150 nan 0.000 0.449 49 L N 0.240 121.278 121.223 -0.308 0.000 2.044 49 L HA -0.099 4.232 4.340 -0.016 0.000 0.205 49 L C 2.539 179.318 176.870 -0.152 0.000 1.075 49 L CA 2.393 57.057 54.840 -0.293 0.000 0.747 49 L CB -0.899 40.971 42.059 -0.314 0.000 0.903 49 L HN 0.684 nan 8.230 nan 0.000 0.435 50 E N -0.080 120.053 120.200 -0.112 0.000 2.085 50 E HA -0.292 4.049 4.350 -0.016 0.000 0.194 50 E C 2.148 178.709 176.600 -0.064 0.000 0.994 50 E CA 1.949 58.307 56.400 -0.071 0.000 0.801 50 E CB -0.558 29.111 29.700 -0.052 0.000 0.743 50 E HN 0.367 nan 8.360 nan 0.000 0.453 51 K N -0.017 120.340 120.400 -0.071 0.000 2.211 51 K HA 0.023 4.334 4.320 -0.016 0.000 0.203 51 K C 1.781 178.345 176.600 -0.059 0.000 1.050 51 K CA 1.078 57.331 56.287 -0.057 0.000 0.945 51 K CB -0.251 32.217 32.500 -0.054 0.000 0.732 51 K HN 0.259 nan 8.250 nan 0.000 0.451 52 A N 0.005 122.777 122.820 -0.080 0.000 2.238 52 A HA 0.209 4.520 4.320 -0.016 0.000 0.208 52 A C 1.274 178.825 177.584 -0.056 0.000 1.177 52 A CA 0.698 52.693 52.037 -0.071 0.000 0.804 52 A CB -0.393 18.548 19.000 -0.097 0.000 0.823 52 A HN 0.516 nan 8.150 nan 0.000 0.482 53 G N -1.139 107.629 108.800 -0.053 0.000 2.162 53 G HA2 -0.280 3.671 3.960 -0.016 0.000 0.260 53 G HA3 -0.280 3.671 3.960 -0.016 0.000 0.260 53 G C 0.607 175.483 174.900 -0.040 0.000 0.976 53 G CA 0.625 45.700 45.100 -0.040 0.000 0.655 53 G HN 0.387 nan 8.290 nan 0.000 0.533 54 I N 0.023 120.561 120.570 -0.053 0.000 2.716 54 I HA 0.300 4.461 4.170 -0.016 0.000 0.259 54 I C 1.381 177.473 176.117 -0.042 0.000 1.172 54 I CA 0.887 62.160 61.300 -0.045 0.000 1.478 54 I CB 0.027 37.994 38.000 -0.056 0.000 1.104 54 I HN 0.254 nan 8.210 nan 0.000 0.439 55 L N 0.308 121.502 121.223 -0.049 0.000 2.362 55 L HA 0.367 4.698 4.340 -0.016 0.000 0.275 55 L C 0.330 177.180 176.870 -0.033 0.000 0.998 55 L CA -0.806 54.010 54.840 -0.040 0.000 0.820 55 L CB 1.681 43.713 42.059 -0.045 0.000 1.270 55 L HN 0.071 nan 8.230 nan 0.000 0.415 56 T N -1.606 112.932 114.554 -0.026 0.000 2.856 56 T HA 0.131 4.471 4.350 -0.016 0.000 0.306 56 T C 1.090 175.777 174.700 -0.021 0.000 1.062 56 T CA -0.676 61.411 62.100 -0.022 0.000 1.083 56 T CB 1.032 69.889 68.868 -0.018 0.000 0.984 56 T HN 0.447 nan 8.240 nan 0.000 0.542 57 K N 1.125 121.514 120.400 -0.018 0.000 2.281 57 K HA -0.070 4.241 4.320 -0.016 0.000 0.203 57 K C 2.226 178.818 176.600 -0.014 0.000 1.046 57 K CA 1.261 57.539 56.287 -0.016 0.000 0.938 57 K CB -0.842 31.650 32.500 -0.014 0.000 0.737 57 K HN 0.744 nan 8.250 nan 0.000 0.458 58 T N 0.711 115.257 114.554 -0.013 0.000 2.937 58 T HA -0.009 4.331 4.350 -0.016 0.000 0.260 58 T C 1.642 176.335 174.700 -0.011 0.000 1.051 58 T CA 0.698 62.791 62.100 -0.011 0.000 1.141 58 T CB 0.114 68.976 68.868 -0.010 0.000 0.879 58 T HN 0.317 nan 8.240 nan 0.000 0.459 59 E N 0.706 120.898 120.200 -0.014 0.000 2.150 59 E HA -0.050 4.291 4.350 -0.016 0.000 0.193 59 E C 2.026 178.618 176.600 -0.013 0.000 0.985 59 E CA 0.530 56.921 56.400 -0.015 0.000 0.814 59 E CB -0.141 29.547 29.700 -0.019 0.000 0.752 59 E HN 0.204 nan 8.360 nan 0.000 0.466 60 L N 1.624 122.838 121.223 -0.015 0.000 1.976 60 L HA -0.190 4.141 4.340 -0.016 0.000 0.209 60 L C 1.946 178.813 176.870 -0.006 0.000 1.071 60 L CA 1.852 56.684 54.840 -0.013 0.000 0.746 60 L CB -0.330 41.719 42.059 -0.017 0.000 0.890 60 L HN -0.069 nan 8.230 nan 0.000 0.432 61 E N 0.369 120.566 120.200 -0.006 0.000 2.130 61 E HA -0.239 4.102 4.350 -0.016 0.000 0.196 61 E C 2.100 178.700 176.600 -0.001 0.000 0.998 61 E CA 1.383 57.781 56.400 -0.003 0.000 0.806 61 E CB -0.309 29.389 29.700 -0.004 0.000 0.738 61 E HN 0.608 nan 8.360 nan 0.000 0.459 62 K N 0.254 120.652 120.400 -0.003 0.000 1.991 62 K HA -0.009 4.302 4.320 -0.016 0.000 0.207 62 K C 2.480 179.081 176.600 0.002 0.000 1.045 62 K CA 0.784 57.071 56.287 -0.002 0.000 0.937 62 K CB -0.358 32.139 32.500 -0.005 0.000 0.720 62 K HN 0.107 nan 8.250 nan 0.000 0.438 63 I N 1.283 121.854 120.570 0.002 0.000 2.118 63 I HA -0.324 3.837 4.170 -0.016 0.000 0.241 63 I C 2.388 178.514 176.117 0.015 0.000 1.070 63 I CA 1.053 62.359 61.300 0.009 0.000 1.327 63 I CB -0.260 37.746 38.000 0.010 0.000 1.034 63 I HN 0.072 nan 8.210 nan 0.000 0.405 64 L N 0.096 121.327 121.223 0.013 0.000 2.083 64 L HA -0.214 4.116 4.340 -0.016 0.000 0.209 64 L C 2.709 179.587 176.870 0.014 0.000 1.083 64 L CA 1.726 56.575 54.840 0.016 0.000 0.752 64 L CB -0.840 41.225 42.059 0.011 0.000 0.899 64 L HN 0.182 nan 8.230 nan 0.000 0.433 65 S N -0.914 114.792 115.700 0.010 0.000 2.356 65 S HA -0.143 4.317 4.470 -0.016 0.000 0.223 65 S C 2.066 176.673 174.600 0.011 0.000 1.032 65 S CA 1.339 59.544 58.200 0.009 0.000 1.005 65 S CB -0.561 62.642 63.200 0.005 0.000 0.867 65 S HN 0.560 nan 8.310 nan 0.000 0.449 66 G N 1.236 110.043 108.800 0.012 0.000 2.408 66 G HA2 -0.093 3.858 3.960 -0.016 0.000 0.217 66 G HA3 -0.093 3.858 3.960 -0.016 0.000 0.217 66 G C 1.323 176.234 174.900 0.018 0.000 1.150 66 G CA 0.820 45.928 45.100 0.014 0.000 0.776 66 G HN 0.446 nan 8.290 nan 0.000 0.542 67 L N 0.750 121.987 121.223 0.022 0.000 2.042 67 L HA -0.034 4.296 4.340 -0.016 0.000 0.210 67 L C 2.640 179.524 176.870 0.023 0.000 1.076 67 L CA 1.940 56.796 54.840 0.027 0.000 0.749 67 L CB -0.762 41.317 42.059 0.033 0.000 0.893 67 L HN 0.298 nan 8.230 nan 0.000 0.432 68 E N -0.262 119.950 120.200 0.019 0.000 2.153 68 E HA -0.198 4.143 4.350 -0.016 0.000 0.194 68 E C 2.089 178.699 176.600 0.015 0.000 0.988 68 E CA 1.330 57.740 56.400 0.017 0.000 0.811 68 E CB 0.020 29.728 29.700 0.014 0.000 0.746 68 E HN 0.380 nan 8.360 nan 0.000 0.466 69 K N 0.039 120.448 120.400 0.014 0.000 2.001 69 K HA -0.082 4.229 4.320 -0.016 0.000 0.208 69 K C 2.254 178.862 176.600 0.014 0.000 1.048 69 K CA 1.588 57.883 56.287 0.013 0.000 0.932 69 K CB -0.298 32.209 32.500 0.012 0.000 0.715 69 K HN 0.216 nan 8.250 nan 0.000 0.437 70 I N 0.969 121.549 120.570 0.017 0.000 2.264 70 I HA -0.296 3.865 4.170 -0.016 0.000 0.248 70 I C 2.566 178.694 176.117 0.018 0.000 1.111 70 I CA 0.950 62.261 61.300 0.017 0.000 1.382 70 I CB -0.314 37.698 38.000 0.020 0.000 1.060 70 I HN 0.155 nan 8.210 nan 0.000 0.418 71 S N 0.165 115.877 115.700 0.019 0.000 2.382 71 S HA -0.163 4.297 4.470 -0.016 0.000 0.228 71 S C 1.912 176.523 174.600 0.017 0.000 1.027 71 S CA 1.250 59.461 58.200 0.020 0.000 0.991 71 S CB -0.105 63.107 63.200 0.020 0.000 0.823 71 S HN 0.369 nan 8.310 nan 0.000 0.469 72 E N 1.117 121.326 120.200 0.015 0.000 2.106 72 E HA -0.085 4.255 4.350 -0.016 0.000 0.192 72 E C 2.012 178.620 176.600 0.013 0.000 0.984 72 E CA 0.833 57.241 56.400 0.013 0.000 0.806 72 E CB -0.318 29.388 29.700 0.011 0.000 0.750 72 E HN 0.660 nan 8.360 nan 0.000 0.458 73 E N 0.713 120.921 120.200 0.013 0.000 2.047 73 E HA -0.095 4.246 4.350 -0.016 0.000 0.191 73 E C 2.357 178.965 176.600 0.014 0.000 0.987 73 E CA 0.550 56.958 56.400 0.012 0.000 0.799 73 E CB -0.132 29.576 29.700 0.012 0.000 0.752 73 E HN 0.158 nan 8.360 nan 0.000 0.449 74 L N 1.196 122.429 121.223 0.016 0.000 2.042 74 L HA -0.217 4.113 4.340 -0.016 0.000 0.210 74 L C 2.727 179.608 176.870 0.019 0.000 1.076 74 L CA 1.515 56.366 54.840 0.018 0.000 0.749 74 L CB -0.588 41.484 42.059 0.021 0.000 0.893 74 L HN 0.223 nan 8.230 nan 0.000 0.432 75 S N -0.746 114.964 115.700 0.018 0.000 2.474 75 S HA -0.149 4.312 4.470 -0.016 0.000 0.235 75 S C 1.563 176.172 174.600 0.015 0.000 0.997 75 S CA 0.699 58.909 58.200 0.017 0.000 0.949 75 S CB -0.247 62.963 63.200 0.016 0.000 0.766 75 S HN 0.406 nan 8.310 nan 0.000 0.517 76 K N 0.701 121.110 120.400 0.014 0.000 2.446 76 K HA 0.313 4.624 4.320 -0.016 0.000 0.203 76 K C 1.225 177.832 176.600 0.012 0.000 1.027 76 K CA 0.295 56.589 56.287 0.012 0.000 1.166 76 K CB -0.059 32.447 32.500 0.011 0.000 0.869 76 K HN 0.516 nan 8.250 nan 0.000 0.504 77 G N 1.017 109.825 108.800 0.014 0.000 2.212 77 G HA2 -0.279 3.672 3.960 -0.016 0.000 0.266 77 G HA3 -0.279 3.672 3.960 -0.016 0.000 0.266 77 G C 0.378 175.285 174.900 0.012 0.000 0.978 77 G CA 0.152 45.260 45.100 0.014 0.000 0.632 77 G HN 0.177 nan 8.290 nan 0.000 0.537 78 V N 1.969 121.890 119.914 0.012 0.000 2.584 78 V HA 0.175 4.286 4.120 -0.016 0.000 0.303 78 V C 1.167 177.267 176.094 0.010 0.000 1.035 78 V CA 0.933 63.239 62.300 0.010 0.000 1.172 78 V CB 1.182 33.011 31.823 0.010 0.000 0.896 78 V HN 0.472 nan 8.190 nan 0.000 0.486 79 I N 6.065 126.640 120.570 0.008 0.000 2.307 79 I HA 0.248 4.408 4.170 -0.016 0.000 0.289 79 I C 0.734 176.854 176.117 0.005 0.000 1.021 79 I CA -0.218 61.086 61.300 0.006 0.000 1.224 79 I CB 1.390 39.393 38.000 0.005 0.000 1.376 79 I HN 0.443 nan 8.210 nan 0.000 0.470 80 V N 7.775 127.692 119.914 0.005 0.000 2.599 80 V HA -0.035 4.076 4.120 -0.016 0.000 0.245 80 V C 1.071 177.166 176.094 0.002 0.000 1.046 80 V CA 0.571 62.874 62.300 0.005 0.000 1.065 80 V CB 0.227 32.055 31.823 0.008 0.000 0.703 80 V HN 0.635 nan 8.190 nan 0.000 0.464 81 V N 2.554 122.468 119.914 -0.001 0.000 2.572 81 V HA 0.370 4.480 4.120 -0.016 0.000 0.291 81 V C 0.390 176.482 176.094 -0.003 0.000 1.039 81 V CA 0.683 62.980 62.300 -0.004 0.000 1.055 81 V CB 0.966 32.783 31.823 -0.009 0.000 0.969 81 V HN 0.699 nan 8.190 nan 0.000 0.482 82 T N 2.819 117.371 114.554 -0.003 0.000 2.883 82 T HA 0.353 4.694 4.350 -0.016 0.000 0.284 82 T C 0.562 175.259 174.700 -0.004 0.000 1.041 82 T CA -0.152 61.947 62.100 -0.003 0.000 1.007 82 T CB 1.435 70.303 68.868 -0.001 0.000 1.220 82 T HN 0.506 nan 8.240 nan 0.000 0.552 83 Q N 0.743 120.541 119.800 -0.003 0.000 2.226 83 Q HA -0.065 4.266 4.340 -0.016 0.000 0.204 83 Q C 2.247 178.245 176.000 -0.004 0.000 0.975 83 Q CA 2.319 58.120 55.803 -0.004 0.000 0.866 83 Q CB -0.858 27.878 28.738 -0.003 0.000 0.915 83 Q HN 0.825 nan 8.270 nan 0.000 0.440 84 S N -0.785 114.913 115.700 -0.003 0.000 2.428 84 S HA -0.020 4.441 4.470 -0.016 0.000 0.230 84 S C 0.352 174.950 174.600 -0.004 0.000 1.014 84 S CA 0.373 58.572 58.200 -0.002 0.000 0.957 84 S CB -0.159 63.041 63.200 -0.001 0.000 0.784 84 S HN 0.240 nan 8.310 nan 0.000 0.499 85 D N 2.197 122.594 120.400 -0.005 0.000 2.350 85 D HA 0.185 4.816 4.640 -0.016 0.000 0.249 85 D C 0.904 177.198 176.300 -0.011 0.000 1.119 85 D CA 0.006 54.001 54.000 -0.008 0.000 0.886 85 D CB 1.102 41.897 40.800 -0.009 0.000 1.195 85 D HN 0.442 nan 8.370 nan 0.000 0.437 86 E N 1.210 121.402 120.200 -0.014 0.000 2.017 86 E HA -0.132 4.209 4.350 -0.016 0.000 0.193 86 E C 0.580 177.171 176.600 -0.016 0.000 0.997 86 E CA 1.082 57.473 56.400 -0.014 0.000 0.804 86 E CB 0.159 29.848 29.700 -0.018 0.000 0.757 86 E HN 0.613 nan 8.360 nan 0.000 0.448 87 D N -1.153 119.233 120.400 -0.023 0.000 2.798 87 D HA 0.028 4.659 4.640 -0.016 0.000 0.308 87 D C 0.793 177.076 176.300 -0.028 0.000 1.187 87 D CA -0.659 53.326 54.000 -0.025 0.000 1.033 87 D CB 0.733 41.516 40.800 -0.028 0.000 1.445 87 D HN -0.042 nan 8.370 nan 0.000 0.550 88 I N 0.284 120.837 120.570 -0.030 0.000 2.394 88 I HA -0.187 3.973 4.170 -0.016 0.000 0.251 88 I C 2.488 178.588 176.117 -0.028 0.000 1.136 88 I CA 1.625 62.909 61.300 -0.026 0.000 1.425 88 I CB -0.470 37.513 38.000 -0.028 0.000 1.079 88 I HN 0.540 nan 8.210 nan 0.000 0.425 89 Q N -0.081 119.693 119.800 -0.042 0.000 2.020 89 Q HA -0.258 4.073 4.340 -0.016 0.000 0.202 89 Q C 2.171 178.135 176.000 -0.060 0.000 0.982 89 Q CA 2.955 58.723 55.803 -0.058 0.000 0.838 89 Q CB -0.354 28.331 28.738 -0.088 0.000 0.899 89 Q HN 0.673 nan 8.270 nan 0.000 0.423 90 T N -1.837 112.680 114.554 -0.062 0.000 2.833 90 T HA -0.011 4.330 4.350 -0.016 0.000 0.269 90 T C 1.844 176.531 174.700 -0.020 0.000 1.054 90 T CA 1.112 63.180 62.100 -0.053 0.000 1.135 90 T CB -0.432 68.407 68.868 -0.047 0.000 0.869 90 T HN 0.380 nan 8.240 nan 0.000 0.466 91 A N 2.447 125.258 122.820 -0.016 0.000 1.858 91 A HA -0.110 4.200 4.320 -0.016 0.000 0.216 91 A C 2.333 179.921 177.584 0.007 0.000 1.190 91 A CA 1.810 53.845 52.037 -0.003 0.000 0.617 91 A CB -1.162 17.835 19.000 -0.006 0.000 0.827 91 A HN 0.701 nan 8.150 nan 0.000 0.443 92 N N -0.730 117.973 118.700 0.006 0.000 2.120 92 N HA -0.164 4.567 4.740 -0.016 0.000 0.188 92 N C 1.795 177.328 175.510 0.038 0.000 1.024 92 N CA 1.375 54.436 53.050 0.018 0.000 0.852 92 N CB -0.159 38.337 38.487 0.015 0.000 1.003 92 N HN 0.636 nan 8.380 nan 0.000 0.424 93 E N 0.678 120.905 120.200 0.045 0.000 2.031 93 E HA -0.158 4.183 4.350 -0.016 0.000 0.193 93 E C 2.078 178.734 176.600 0.093 0.000 0.994 93 E CA 0.643 57.111 56.400 0.113 0.000 0.800 93 E CB 0.033 29.809 29.700 0.126 0.000 0.752 93 E HN 0.182 nan 8.360 nan 0.000 0.447 94 R N 1.166 121.701 120.500 0.058 0.000 2.091 94 R HA -0.165 4.166 4.340 -0.016 0.000 0.238 94 R C 2.225 178.544 176.300 0.033 0.000 1.136 94 R CA 1.459 57.584 56.100 0.043 0.000 0.959 94 R CB -0.135 30.180 30.300 0.026 0.000 0.856 94 R HN -0.029 nan 8.270 nan 0.000 0.437 95 R N 0.865 121.382 120.500 0.028 0.000 2.066 95 R HA -0.093 4.238 4.340 -0.016 0.000 0.232 95 R C 2.287 178.601 176.300 0.024 0.000 1.131 95 R CA 1.311 57.424 56.100 0.022 0.000 0.955 95 R CB -1.111 29.200 30.300 0.019 0.000 0.851 95 R HN 0.275 nan 8.270 nan 0.000 0.432 96 L N 1.108 122.351 121.223 0.032 0.000 2.131 96 L HA -0.089 4.242 4.340 -0.016 0.000 0.210 96 L C 2.120 179.003 176.870 0.022 0.000 1.092 96 L CA 1.931 56.790 54.840 0.030 0.000 0.759 96 L CB -0.499 41.586 42.059 0.043 0.000 0.903 96 L HN 0.238 nan 8.230 nan 0.000 0.435 97 K N -0.454 119.962 120.400 0.026 0.000 2.097 97 K HA -0.168 4.143 4.320 -0.016 0.000 0.205 97 K C 1.840 178.446 176.600 0.010 0.000 1.050 97 K CA 1.503 57.798 56.287 0.013 0.000 0.938 97 K CB -0.041 32.472 32.500 0.020 0.000 0.718 97 K HN 0.490 nan 8.250 nan 0.000 0.442 98 E N 0.362 120.570 120.200 0.013 0.000 2.268 98 E HA -0.132 4.209 4.350 -0.016 0.000 0.195 98 E C 1.827 178.432 176.600 0.008 0.000 0.995 98 E CA 0.690 57.096 56.400 0.010 0.000 0.836 98 E CB 0.126 29.833 29.700 0.011 0.000 0.763 98 E HN 0.322 nan 8.360 nan 0.000 0.491 99 L N 0.082 121.310 121.223 0.009 0.000 2.298 99 L HA 0.102 4.432 4.340 -0.016 0.000 0.209 99 L C 2.132 179.004 176.870 0.004 0.000 1.084 99 L CA 0.616 55.461 54.840 0.007 0.000 0.816 99 L CB 0.131 42.197 42.059 0.010 0.000 0.967 99 L HN 0.198 nan 8.230 nan 0.000 0.460 100 I N -4.670 115.902 120.570 0.002 0.000 4.442 100 I HA 0.529 4.690 4.170 -0.016 0.000 0.331 100 I C 0.833 176.945 176.117 -0.007 0.000 1.364 100 I CA -0.050 61.248 61.300 -0.002 0.000 1.207 100 I CB 0.444 38.442 38.000 -0.002 0.000 1.298 100 I HN 0.120 nan 8.210 nan 0.000 0.463 101 G N 2.351 111.147 108.800 -0.007 0.000 2.593 101 G HA2 -0.295 3.656 3.960 -0.016 0.000 0.237 101 G HA3 -0.295 3.656 3.960 -0.016 0.000 0.237 101 G C 0.001 174.888 174.900 -0.022 0.000 1.312 101 G CA 0.453 45.546 45.100 -0.011 0.000 0.896 101 G HN 0.279 nan 8.290 nan 0.000 0.574 102 D N -0.473 119.911 120.400 -0.026 0.000 2.172 102 D HA -0.125 4.506 4.640 -0.016 0.000 0.196 102 D C 2.368 178.632 176.300 -0.060 0.000 0.999 102 D CA 1.529 55.504 54.000 -0.041 0.000 0.856 102 D CB -0.160 40.621 40.800 -0.032 0.000 0.934 102 D HN 0.556 nan 8.370 nan 0.000 0.453 103 I N 0.781 121.323 120.570 -0.045 0.000 2.315 103 I HA -0.268 3.893 4.170 -0.016 0.000 0.251 103 I C 1.949 178.026 176.117 -0.067 0.000 1.125 103 I CA 1.080 62.352 61.300 -0.048 0.000 1.392 103 I CB -0.389 37.593 38.000 -0.030 0.000 1.065 103 I HN -0.024 nan 8.210 nan 0.000 0.424 104 A N 0.160 122.940 122.820 -0.067 0.000 2.070 104 A HA -0.048 4.263 4.320 -0.016 0.000 0.220 104 A C 2.403 179.863 177.584 -0.208 0.000 1.159 104 A CA 1.363 53.355 52.037 -0.073 0.000 0.656 104 A CB -1.645 17.337 19.000 -0.029 0.000 0.800 104 A HN 0.520 nan 8.150 nan 0.000 0.453 105 G N -0.342 108.287 108.800 -0.285 0.000 2.470 105 G HA2 -0.196 3.755 3.960 -0.016 0.000 0.220 105 G HA3 -0.196 3.755 3.960 -0.016 0.000 0.220 105 G C 1.554 176.186 174.900 -0.446 0.000 1.121 105 G CA 0.908 45.669 45.100 -0.566 0.000 0.766 105 G HN 0.587 nan 8.290 nan 0.000 0.553 106 K N -0.272 120.011 120.400 -0.195 0.000 2.283 106 K HA 0.156 4.467 4.320 -0.016 0.000 0.202 106 K C 2.232 178.829 176.600 -0.004 0.000 1.048 106 K CA 0.136 56.375 56.287 -0.080 0.000 0.948 106 K CB -0.178 32.294 32.500 -0.047 0.000 0.742 106 K HN 0.275 nan 8.250 nan 0.000 0.458 107 L N 0.685 121.912 121.223 0.005 0.000 2.191 107 L HA -0.215 4.116 4.340 -0.016 0.000 0.212 107 L C 1.861 178.933 176.870 0.337 0.000 1.103 107 L CA 1.508 56.457 54.840 0.181 0.000 0.769 107 L CB -0.294 41.881 42.059 0.193 0.000 0.908 107 L HN 0.424 nan 8.230 nan 0.000 0.438 108 H N -1.487 117.638 119.070 0.091 0.000 2.491 108 H HA -0.040 4.506 4.556 -0.016 0.000 0.290 108 H C 0.480 175.861 175.328 0.088 0.000 1.050 108 H CA 0.042 56.123 56.048 0.056 0.000 1.309 108 H CB -0.232 29.540 29.762 0.017 0.000 1.392 108 H HN 0.262 nan 8.280 nan 0.000 0.554 109 T N 0.772 115.465 114.554 0.233 0.000 2.800 109 T HA 0.069 4.410 4.350 -0.016 0.000 0.283 109 T C 1.438 176.278 174.700 0.233 0.000 0.999 109 T CA 0.829 63.032 62.100 0.172 0.000 1.176 109 T CB 0.362 69.293 68.868 0.105 0.000 0.973 109 T HN 0.689 nan 8.240 nan 0.000 0.519 110 G N 2.918 111.803 108.800 0.143 0.000 2.196 110 G HA2 -0.323 3.628 3.960 -0.016 0.000 0.268 110 G HA3 -0.323 3.628 3.960 -0.016 0.000 0.268 110 G C 0.238 175.180 174.900 0.070 0.000 0.975 110 G CA 0.648 45.826 45.100 0.130 0.000 0.648 110 G HN 0.846 nan 8.290 nan 0.000 0.538 111 R N 0.159 120.655 120.500 -0.005 0.000 2.474 111 R HA 0.638 4.969 4.340 -0.016 0.000 0.295 111 R C -0.284 175.913 176.300 -0.173 0.000 0.980 111 R CA 0.213 56.182 56.100 -0.220 0.000 0.934 111 R CB 1.236 31.267 30.300 -0.449 0.000 1.101 111 R HN 0.229 nan 8.270 nan 0.000 0.469 112 S N 1.571 117.149 115.700 -0.204 0.000 2.542 112 S HA 0.321 4.782 4.470 -0.016 0.000 0.293 112 S C 0.736 175.202 174.600 -0.224 0.000 1.089 112 S CA -0.822 57.263 58.200 -0.192 0.000 0.961 112 S CB 1.546 64.645 63.200 -0.169 0.000 1.062 112 S HN 0.777 nan 8.310 nan 0.000 0.483 113 R N 2.670 123.029 120.500 -0.234 0.000 2.120 113 R HA -0.095 4.236 4.340 -0.016 0.000 0.234 113 R C 1.597 177.736 176.300 -0.269 0.000 1.123 113 R CA 1.854 57.816 56.100 -0.232 0.000 0.975 113 R CB -0.585 29.583 30.300 -0.220 0.000 0.866 113 R HN 0.716 nan 8.270 nan 0.000 0.446 114 N N 1.002 119.476 118.700 -0.377 0.000 2.149 114 N HA -0.221 4.510 4.740 -0.016 0.000 0.188 114 N C 1.736 177.142 175.510 -0.173 0.000 1.019 114 N CA 1.492 54.293 53.050 -0.415 0.000 0.857 114 N CB -0.071 38.142 38.487 -0.456 0.000 0.997 114 N HN 0.529 nan 8.380 nan 0.000 0.426 115 E N 0.784 120.887 120.200 -0.162 0.000 2.190 115 E HA -0.141 4.199 4.350 -0.016 0.000 0.191 115 E C 1.882 178.406 176.600 -0.126 0.000 0.978 115 E CA 0.440 56.765 56.400 -0.126 0.000 0.839 115 E CB -0.067 29.547 29.700 -0.143 0.000 0.787 115 E HN 0.191 nan 8.360 nan 0.000 0.473 116 Q N 1.747 121.459 119.800 -0.147 0.000 2.079 116 Q HA -0.131 4.200 4.340 -0.016 0.000 0.200 116 Q C 2.396 178.358 176.000 -0.063 0.000 0.974 116 Q CA 2.274 58.005 55.803 -0.121 0.000 0.840 116 Q CB -0.156 28.498 28.738 -0.139 0.000 0.898 116 Q HN 0.364 nan 8.270 nan 0.000 0.430 117 V N -1.490 118.395 119.914 -0.048 0.000 2.295 117 V HA -0.192 3.918 4.120 -0.016 0.000 0.246 117 V C 2.167 178.300 176.094 0.064 0.000 1.049 117 V CA 1.800 64.107 62.300 0.012 0.000 1.024 117 V CB -1.768 30.079 31.823 0.041 0.000 0.648 117 V HN 0.345 nan 8.190 nan 0.000 0.447 118 V N -1.413 118.542 119.914 0.068 0.000 2.515 118 V HA -0.150 3.961 4.120 -0.016 0.000 0.250 118 V C 2.399 178.479 176.094 -0.024 0.000 1.058 118 V CA 2.381 64.740 62.300 0.098 0.000 1.064 118 V CB -1.825 30.055 31.823 0.096 0.000 0.675 118 V HN 0.540 nan 8.190 nan 0.000 0.461 119 T N 0.670 115.193 114.554 -0.052 0.000 2.701 119 T HA -0.147 4.193 4.350 -0.016 0.000 0.263 119 T C 1.667 176.395 174.700 0.047 0.000 1.040 119 T CA 2.023 64.085 62.100 -0.064 0.000 1.147 119 T CB -0.475 68.336 68.868 -0.095 0.000 0.865 119 T HN 0.555 nan 8.240 nan 0.000 0.426 120 D N 0.941 121.367 120.400 0.044 0.000 2.084 120 D HA -0.046 4.585 4.640 -0.016 0.000 0.194 120 D C 2.035 178.411 176.300 0.126 0.000 0.990 120 D CA 0.646 54.692 54.000 0.077 0.000 0.826 120 D CB -0.583 40.238 40.800 0.035 0.000 0.971 120 D HN 0.126 nan 8.370 nan 0.000 0.453 121 L N 1.082 122.382 121.223 0.128 0.000 2.079 121 L HA -0.152 4.179 4.340 -0.016 0.000 0.210 121 L C 1.957 178.973 176.870 0.242 0.000 1.081 121 L CA 1.753 56.716 54.840 0.206 0.000 0.752 121 L CB -0.246 41.976 42.059 0.271 0.000 0.896 121 L HN -0.096 nan 8.230 nan 0.000 0.433 122 K N -1.001 119.465 120.400 0.110 0.000 2.057 122 K HA -0.138 4.173 4.320 -0.016 0.000 0.207 122 K C 2.092 178.755 176.600 0.105 0.000 1.049 122 K CA 1.459 57.764 56.287 0.030 0.000 0.931 122 K CB -0.268 32.192 32.500 -0.066 0.000 0.714 122 K HN 0.305 nan 8.250 nan 0.000 0.440 123 L N -0.007 121.322 121.223 0.176 0.000 2.012 123 L HA -0.217 4.113 4.340 -0.016 0.000 0.210 123 L C 2.363 179.261 176.870 0.046 0.000 1.073 123 L CA 1.268 56.159 54.840 0.085 0.000 0.748 123 L CB -0.412 41.731 42.059 0.140 0.000 0.891 123 L HN 0.152 nan 8.230 nan 0.000 0.431 124 F N 0.439 120.381 119.950 -0.012 0.000 2.126 124 F HA -0.276 4.244 4.527 -0.012 0.000 0.299 124 F C 2.431 178.192 175.800 -0.066 0.000 1.096 124 F CA 1.681 59.665 58.000 -0.027 0.000 1.255 124 F CB -0.160 38.839 39.000 -0.002 0.000 0.997 124 F HN -0.038 nan 8.300 nan 0.000 0.479 125 M N -0.189 119.400 119.600 -0.018 0.000 2.229 125 M HA -0.170 4.301 4.480 -0.016 0.000 0.264 125 M C 2.044 178.189 176.300 -0.259 0.000 1.063 125 M CA 1.477 56.654 55.300 -0.204 0.000 1.114 125 M CB -0.354 32.205 32.600 -0.069 0.000 1.387 125 M HN 0.036 nan 8.290 nan 0.000 0.420 126 K N 0.321 120.601 120.400 -0.200 0.000 2.026 126 K HA -0.099 4.212 4.320 -0.016 0.000 0.208 126 K C 1.763 178.224 176.600 -0.231 0.000 1.048 126 K CA 1.269 57.426 56.287 -0.217 0.000 0.929 126 K CB -0.149 32.187 32.500 -0.274 0.000 0.713 126 K HN 0.283 nan 8.250 nan 0.000 0.439 127 N N 0.297 118.843 118.700 -0.256 0.000 2.188 127 N HA -0.092 4.639 4.740 -0.016 0.000 0.184 127 N C 1.783 177.113 175.510 -0.299 0.000 1.018 127 N CA 1.200 54.099 53.050 -0.251 0.000 0.858 127 N CB -0.191 38.158 38.487 -0.231 0.000 0.989 127 N HN 0.035 nan 8.380 nan 0.000 0.426 128 S N 0.933 116.364 115.700 -0.449 0.000 2.371 128 S HA 0.027 4.488 4.470 -0.016 0.000 0.224 128 S C 1.967 176.423 174.600 -0.240 0.000 1.029 128 S CA 0.382 58.333 58.200 -0.415 0.000 0.978 128 S CB -0.125 62.692 63.200 -0.637 0.000 0.833 128 S HN 0.093 nan 8.310 nan 0.000 0.466 129 L N 1.588 122.665 121.223 -0.243 0.000 2.083 129 L HA -0.017 4.314 4.340 -0.016 0.000 0.209 129 L C 2.577 179.392 176.870 -0.093 0.000 1.083 129 L CA 1.287 56.049 54.840 -0.131 0.000 0.752 129 L CB -0.981 41.001 42.059 -0.129 0.000 0.899 129 L HN 0.267 nan 8.230 nan 0.000 0.433 130 S N -0.683 114.940 115.700 -0.129 0.000 2.368 130 S HA -0.150 4.310 4.470 -0.016 0.000 0.225 130 S C 2.058 176.583 174.600 -0.124 0.000 1.030 130 S CA 1.287 59.418 58.200 -0.114 0.000 0.999 130 S CB -0.211 62.913 63.200 -0.126 0.000 0.844 130 S HN 0.369 nan 8.310 nan 0.000 0.459 131 I N 0.891 121.375 120.570 -0.142 0.000 2.252 131 I HA -0.142 4.018 4.170 -0.016 0.000 0.245 131 I C 2.100 178.114 176.117 -0.173 0.000 1.102 131 I CA 1.094 62.282 61.300 -0.186 0.000 1.385 131 I CB -0.315 37.606 38.000 -0.132 0.000 1.064 131 I HN 0.318 nan 8.210 nan 0.000 0.414 132 I N -0.096 120.454 120.570 -0.033 0.000 2.226 132 I HA -0.327 3.833 4.170 -0.016 0.000 0.245 132 I C 2.780 178.923 176.117 0.044 0.000 1.100 132 I CA 1.422 62.766 61.300 0.074 0.000 1.374 132 I CB -0.318 37.758 38.000 0.126 0.000 1.057 132 I HN 0.217 nan 8.210 nan 0.000 0.413 133 S N 0.110 115.808 115.700 -0.003 0.000 2.356 133 S HA -0.209 4.251 4.470 -0.016 0.000 0.223 133 S C 2.104 176.687 174.600 -0.028 0.000 1.032 133 S CA 2.295 60.493 58.200 -0.004 0.000 1.005 133 S CB -0.388 62.801 63.200 -0.019 0.000 0.867 133 S HN 0.429 nan 8.310 nan 0.000 0.449 134 T N 1.018 115.513 114.554 -0.100 0.000 2.635 134 T HA -0.157 4.184 4.350 -0.016 0.000 0.267 134 T C 1.461 176.117 174.700 -0.072 0.000 1.040 134 T CA 2.118 64.138 62.100 -0.134 0.000 1.156 134 T CB -0.700 68.014 68.868 -0.256 0.000 0.863 134 T HN 0.690 nan 8.240 nan 0.000 0.430 135 H N -0.119 118.954 119.070 0.004 0.000 2.389 135 H HA 0.044 4.593 4.556 -0.012 0.000 0.299 135 H C 2.215 177.546 175.328 0.004 0.000 1.081 135 H CA 0.825 56.877 56.048 0.007 0.000 1.345 135 H CB -0.134 29.636 29.762 0.013 0.000 1.393 135 H HN 0.084 nan 8.280 nan 0.000 0.520 136 L N 0.847 122.147 121.223 0.129 0.000 1.994 136 L HA -0.153 4.178 4.340 -0.016 0.000 0.208 136 L C 1.946 178.841 176.870 0.041 0.000 1.071 136 L CA 1.483 56.366 54.840 0.071 0.000 0.745 136 L CB -0.683 41.411 42.059 0.059 0.000 0.892 136 L HN 0.264 nan 8.230 nan 0.000 0.431 137 L N -0.779 120.462 121.223 0.030 0.000 2.131 137 L HA -0.224 4.107 4.340 -0.016 0.000 0.210 137 L C 2.609 179.489 176.870 0.017 0.000 1.092 137 L CA 1.348 56.196 54.840 0.013 0.000 0.759 137 L CB -0.500 41.560 42.059 0.002 0.000 0.903 137 L HN 0.433 nan 8.230 nan 0.000 0.435 138 Q N 0.294 120.116 119.800 0.036 0.000 2.119 138 Q HA -0.214 4.117 4.340 -0.016 0.000 0.201 138 Q C 1.991 178.005 176.000 0.024 0.000 0.972 138 Q CA 1.546 57.373 55.803 0.040 0.000 0.847 138 Q CB -0.292 28.494 28.738 0.080 0.000 0.903 138 Q HN 0.370 nan 8.270 nan 0.000 0.433 139 L N -0.150 121.086 121.223 0.022 0.000 2.056 139 L HA -0.041 4.290 4.340 -0.016 0.000 0.207 139 L C 1.992 178.849 176.870 -0.022 0.000 1.078 139 L CA 1.667 56.503 54.840 -0.007 0.000 0.749 139 L CB -0.563 41.489 42.059 -0.010 0.000 0.901 139 L HN 0.378 nan 8.230 nan 0.000 0.433 140 I N -0.319 120.241 120.570 -0.017 0.000 2.226 140 I HA -0.320 3.840 4.170 -0.016 0.000 0.245 140 I C 2.572 178.673 176.117 -0.027 0.000 1.100 140 I CA 1.686 62.968 61.300 -0.030 0.000 1.374 140 I CB -0.486 37.499 38.000 -0.025 0.000 1.057 140 I HN 0.335 nan 8.210 nan 0.000 0.413 141 K N 0.757 121.148 120.400 -0.014 0.000 2.097 141 K HA -0.179 4.132 4.320 -0.016 0.000 0.206 141 K C 2.027 178.622 176.600 -0.008 0.000 1.049 141 K CA 1.913 58.195 56.287 -0.009 0.000 0.933 141 K CB -0.089 32.411 32.500 0.000 0.000 0.717 141 K HN 0.226 nan 8.250 nan 0.000 0.442 142 T N 1.748 116.297 114.554 -0.008 0.000 2.746 142 T HA -0.112 4.229 4.350 -0.016 0.000 0.267 142 T C 1.774 176.466 174.700 -0.013 0.000 1.039 142 T CA 1.311 63.408 62.100 -0.006 0.000 1.142 142 T CB -0.091 68.769 68.868 -0.012 0.000 0.866 142 T HN 0.168 nan 8.240 nan 0.000 0.444 143 L N 0.521 121.723 121.223 -0.035 0.000 2.093 143 L HA -0.052 4.279 4.340 -0.016 0.000 0.208 143 L C 2.624 179.461 176.870 -0.055 0.000 1.085 143 L CA 0.734 55.539 54.840 -0.058 0.000 0.755 143 L CB -0.492 41.514 42.059 -0.089 0.000 0.904 143 L HN 0.146 nan 8.230 nan 0.000 0.435 144 V N -0.603 119.286 119.914 -0.042 0.000 2.307 144 V HA -0.211 3.899 4.120 -0.016 0.000 0.245 144 V C 2.504 178.590 176.094 -0.013 0.000 1.045 144 V CA 1.534 63.814 62.300 -0.034 0.000 1.024 144 V CB -0.442 31.364 31.823 -0.028 0.000 0.651 144 V HN 0.399 nan 8.190 nan 0.000 0.449 145 E N 0.193 120.393 120.200 -0.001 0.000 2.077 145 E HA -0.222 4.119 4.350 -0.016 0.000 0.193 145 E C 2.292 178.910 176.600 0.029 0.000 0.989 145 E CA 1.271 57.680 56.400 0.014 0.000 0.800 145 E CB -0.364 29.346 29.700 0.018 0.000 0.746 145 E HN 0.537 nan 8.360 nan 0.000 0.452 146 R N 0.771 121.291 120.500 0.034 0.000 2.096 146 R HA -0.071 4.260 4.340 -0.016 0.000 0.235 146 R C 2.210 178.555 176.300 0.075 0.000 1.127 146 R CA 1.324 57.467 56.100 0.071 0.000 0.968 146 R CB -0.183 30.172 30.300 0.092 0.000 0.861 146 R HN 0.132 nan 8.270 nan 0.000 0.440 147 A N 0.669 123.501 122.820 0.019 0.000 1.940 147 A HA -0.132 4.178 4.320 -0.016 0.000 0.219 147 A C 2.347 179.954 177.584 0.038 0.000 1.176 147 A CA 1.723 53.760 52.037 0.001 0.000 0.631 147 A CB -0.799 18.170 19.000 -0.051 0.000 0.814 147 A HN 0.551 nan 8.150 nan 0.000 0.446 148 A N -0.051 122.788 122.820 0.033 0.000 1.873 148 A HA -0.039 4.272 4.320 -0.016 0.000 0.215 148 A C 2.005 179.621 177.584 0.054 0.000 1.186 148 A CA 1.568 53.627 52.037 0.036 0.000 0.616 148 A CB -0.453 18.563 19.000 0.026 0.000 0.823 148 A HN 0.403 nan 8.150 nan 0.000 0.442 149 I N 0.229 120.838 120.570 0.065 0.000 2.286 149 I HA -0.166 3.995 4.170 -0.016 0.000 0.248 149 I C 1.400 177.573 176.117 0.093 0.000 1.115 149 I CA 1.344 62.688 61.300 0.072 0.000 1.392 149 I CB -1.344 36.701 38.000 0.075 0.000 1.065 149 I HN 0.464 nan 8.210 nan 0.000 0.418 150 E N 0.349 120.633 120.200 0.139 0.000 2.437 150 E HA 0.109 4.450 4.350 -0.016 0.000 0.195 150 E C 1.867 178.575 176.600 0.181 0.000 1.029 150 E CA -0.196 56.314 56.400 0.182 0.000 0.948 150 E CB 0.176 30.070 29.700 0.324 0.000 1.082 150 E HN 0.384 nan 8.360 nan 0.000 0.456 151 I N 1.289 121.932 120.570 0.121 0.000 2.502 151 I HA -0.276 3.885 4.170 -0.016 0.000 0.258 151 I C 0.866 177.039 176.117 0.093 0.000 1.172 151 I CA 1.330 62.690 61.300 0.099 0.000 1.430 151 I CB 0.266 38.306 38.000 0.066 0.000 1.086 151 I HN 0.042 nan 8.210 nan 0.000 0.440 152 D N 0.222 120.672 120.400 0.083 0.000 2.333 152 D HA 0.075 4.706 4.640 -0.016 0.000 0.208 152 D C 0.682 177.019 176.300 0.061 0.000 0.984 152 D CA 0.312 54.351 54.000 0.064 0.000 0.873 152 D CB 0.127 40.955 40.800 0.046 0.000 0.935 152 D HN 0.128 nan 8.370 nan 0.000 0.521 153 V N 2.248 122.211 119.914 0.081 0.000 2.572 153 V HA 0.090 4.200 4.120 -0.016 0.000 0.291 153 V C 0.633 176.765 176.094 0.064 0.000 1.039 153 V CA 0.116 62.443 62.300 0.045 0.000 1.055 153 V CB 0.876 32.716 31.823 0.029 0.000 0.969 153 V HN -0.046 nan 8.190 nan 0.000 0.482 154 I N 6.175 126.734 120.570 -0.018 0.000 2.569 154 I HA 0.723 4.883 4.170 -0.016 0.000 0.296 154 I C -0.317 175.707 176.117 -0.155 0.000 1.028 154 I CA -0.588 60.693 61.300 -0.032 0.000 1.082 154 I CB 1.836 39.829 38.000 -0.012 0.000 1.264 154 I HN 0.616 nan 8.210 nan 0.000 0.429 155 L N 3.819 124.943 121.223 -0.165 0.000 2.801 155 L HA 0.761 5.092 4.340 -0.016 0.000 0.264 155 L C -3.038 173.685 176.870 -0.245 0.000 1.086 155 L CA -2.091 52.553 54.840 -0.327 0.000 0.920 155 L CB 1.836 43.579 42.059 -0.528 0.000 1.529 155 L HN 0.144 nan 8.230 nan 0.000 0.399 156 P HA 0.267 nan 4.420 nan 0.000 0.268 156 P C -0.610 176.533 177.300 -0.262 0.000 1.205 156 P CA 0.172 63.085 63.100 -0.311 0.000 0.771 156 P CB 0.838 32.287 31.700 -0.418 0.000 0.858 157 G N 1.666 110.318 108.800 -0.246 0.000 2.388 157 G HA2 0.578 4.529 3.960 -0.016 0.000 0.330 157 G HA3 0.578 4.529 3.960 -0.016 0.000 0.330 157 G C -1.699 173.113 174.900 -0.147 0.000 1.142 157 G CA -0.247 44.824 45.100 -0.048 0.000 0.908 157 G HN 0.317 nan 8.290 nan 0.000 0.473 158 Y N -0.030 120.379 120.300 0.181 0.000 2.485 158 Y HA 0.683 5.224 4.550 -0.016 0.000 0.345 158 Y C 0.562 176.550 175.900 0.147 0.000 0.998 158 Y CA -0.778 57.436 58.100 0.189 0.000 1.059 158 Y CB 2.917 41.531 38.460 0.256 0.000 1.234 158 Y HN 0.672 nan 8.280 nan 0.000 0.461 159 T N -1.391 113.351 114.554 0.314 0.000 2.971 159 T HA 0.323 4.664 4.350 -0.016 0.000 0.304 159 T C -0.669 174.200 174.700 0.281 0.000 1.038 159 T CA -0.762 61.446 62.100 0.181 0.000 1.007 159 T CB 0.877 69.847 68.868 0.170 0.000 1.055 159 T HN 0.938 nan 8.240 nan 0.000 0.451 160 H N 1.190 120.348 119.070 0.146 0.000 3.047 160 H HA -0.154 4.392 4.556 -0.015 0.000 0.263 160 H C 0.908 176.330 175.328 0.156 0.000 1.168 160 H CA 0.674 56.797 56.048 0.125 0.000 1.152 160 H CB -1.131 28.698 29.762 0.112 0.000 1.278 160 H HN 0.864 nan 8.280 nan 0.000 0.339 161 L N -1.062 120.336 121.223 0.291 0.000 4.232 161 L HA -0.253 4.077 4.340 -0.016 0.000 0.415 161 L C 0.038 177.175 176.870 0.445 0.000 1.168 161 L CA 1.567 56.583 54.840 0.294 0.000 0.966 161 L CB -0.452 41.701 42.059 0.156 0.000 2.052 161 L HN 0.393 nan 8.230 nan 0.000 0.887 162 Q N 0.345 120.421 119.800 0.460 0.000 2.309 162 Q HA 0.383 4.714 4.340 -0.016 0.000 0.264 162 Q C 0.055 176.235 176.000 0.300 0.000 1.008 162 Q CA -0.731 55.285 55.803 0.356 0.000 0.853 162 Q CB 1.671 30.543 28.738 0.222 0.000 1.314 162 Q HN 0.237 nan 8.270 nan 0.000 0.448 163 K N 1.054 121.531 120.400 0.128 0.000 2.453 163 K HA 0.094 4.404 4.320 -0.016 0.000 0.280 163 K C 0.298 176.879 176.600 -0.033 0.000 1.045 163 K CA 0.130 56.335 56.287 -0.137 0.000 1.059 163 K CB 0.573 33.008 32.500 -0.108 0.000 0.901 163 K HN 0.662 nan 8.250 nan 0.000 0.475 164 A N 4.310 127.092 122.820 -0.064 0.000 2.265 164 A HA 0.093 4.403 4.320 -0.016 0.000 0.226 164 A C -0.015 177.587 177.584 0.031 0.000 1.937 164 A CA 0.470 52.525 52.037 0.030 0.000 0.771 164 A CB 0.319 19.358 19.000 0.065 0.000 1.421 164 A HN 0.709 nan 8.150 nan 0.000 0.570 165 Q N -0.534 119.272 119.800 0.010 0.000 2.389 165 Q HA 0.447 4.778 4.340 -0.016 0.000 0.277 165 Q C -2.876 173.132 176.000 0.013 0.000 1.082 165 Q CA -2.228 53.600 55.803 0.042 0.000 0.810 165 Q CB 2.319 31.081 28.738 0.041 0.000 1.374 165 Q HN 0.174 nan 8.270 nan 0.000 0.422 166 P HA 0.071 nan 4.420 nan 0.000 0.268 166 P C -1.069 176.253 177.300 0.037 0.000 1.204 166 P CA 0.200 63.340 63.100 0.067 0.000 0.768 166 P CB 0.376 32.209 31.700 0.223 0.000 0.842 167 I N -0.741 119.836 120.570 0.013 0.000 3.264 167 I HA 0.628 4.789 4.170 -0.016 0.000 0.315 167 I C -0.483 175.670 176.117 0.059 0.000 1.154 167 I CA -1.517 59.797 61.300 0.025 0.000 0.962 167 I CB 1.766 39.779 38.000 0.021 0.000 1.265 167 I HN 0.007 nan 8.210 nan 0.000 0.463 168 R N 1.414 121.964 120.500 0.083 0.000 2.404 168 R HA 0.177 4.508 4.340 -0.016 0.000 0.291 168 R C 0.476 176.893 176.300 0.196 0.000 1.025 168 R CA -0.515 55.659 56.100 0.122 0.000 0.991 168 R CB 1.158 31.520 30.300 0.104 0.000 1.053 168 R HN 0.897 nan 8.270 nan 0.000 0.479 169 W N 3.045 124.361 121.300 0.027 0.000 2.325 169 W HA -0.246 4.404 4.660 -0.016 0.000 0.299 169 W C 0.551 177.182 176.519 0.186 0.000 1.215 169 W CA 1.741 59.136 57.345 0.082 0.000 1.244 169 W CB 0.098 29.566 29.460 0.014 0.000 1.140 169 W HN 0.506 nan 8.180 nan 0.000 0.523 170 S N 0.480 116.232 115.700 0.088 0.000 2.402 170 S HA -0.269 4.191 4.470 -0.016 0.000 0.229 170 S C 1.527 176.086 174.600 -0.067 0.000 1.021 170 S CA 1.740 59.909 58.200 -0.051 0.000 0.974 170 S CB -0.420 62.802 63.200 0.036 0.000 0.800 170 S HN 0.340 nan 8.310 nan 0.000 0.484 171 Q N 0.996 120.797 119.800 0.003 0.000 2.050 171 Q HA -0.080 4.251 4.340 -0.016 0.000 0.202 171 Q C 1.747 177.711 176.000 -0.060 0.000 0.980 171 Q CA 1.492 57.284 55.803 -0.019 0.000 0.840 171 Q CB -0.566 28.182 28.738 0.016 0.000 0.898 171 Q HN 0.506 nan 8.270 nan 0.000 0.424 172 F N 0.251 120.111 119.950 -0.150 0.000 2.069 172 F HA -0.212 4.306 4.527 -0.015 0.000 0.298 172 F C 1.582 177.223 175.800 -0.263 0.000 1.113 172 F CA 1.720 59.611 58.000 -0.180 0.000 1.214 172 F CB -0.425 38.509 39.000 -0.111 0.000 0.978 172 F HN 0.135 nan 8.300 nan 0.000 0.474 173 L N -0.057 120.873 121.223 -0.489 0.000 2.042 173 L HA -0.259 4.071 4.340 -0.016 0.000 0.210 173 L C 2.537 179.195 176.870 -0.354 0.000 1.076 173 L CA 1.312 55.848 54.840 -0.507 0.000 0.749 173 L CB -0.837 40.961 42.059 -0.436 0.000 0.893 173 L HN 0.277 nan 8.230 nan 0.000 0.432 174 L N -0.500 120.560 121.223 -0.272 0.000 2.141 174 L HA -0.153 4.177 4.340 -0.016 0.000 0.209 174 L C 2.868 179.593 176.870 -0.241 0.000 1.094 174 L CA 1.254 55.973 54.840 -0.202 0.000 0.763 174 L CB -0.544 41.435 42.059 -0.135 0.000 0.908 174 L HN 0.401 nan 8.230 nan 0.000 0.437 175 S N -1.519 113.977 115.700 -0.339 0.000 2.382 175 S HA -0.210 4.250 4.470 -0.016 0.000 0.228 175 S C 1.926 176.267 174.600 -0.433 0.000 1.027 175 S CA 0.864 58.837 58.200 -0.378 0.000 0.991 175 S CB -0.539 62.393 63.200 -0.447 0.000 0.823 175 S HN 0.446 nan 8.310 nan 0.000 0.469 176 H N 1.835 120.669 119.070 -0.393 0.000 2.363 176 H HA 0.238 4.785 4.556 -0.015 0.000 0.301 176 H C 2.688 177.846 175.328 -0.283 0.000 1.074 176 H CA 1.296 57.126 56.048 -0.363 0.000 1.354 176 H CB -0.858 28.649 29.762 -0.425 0.000 1.397 176 H HN 0.590 nan 8.280 nan 0.000 0.516 177 A N 0.762 123.501 122.820 -0.135 0.000 1.933 177 A HA -0.107 4.204 4.320 -0.016 0.000 0.218 177 A C 2.821 180.329 177.584 -0.126 0.000 1.175 177 A CA 1.497 53.463 52.037 -0.117 0.000 0.628 177 A CB -0.809 18.126 19.000 -0.109 0.000 0.814 177 A HN 0.201 nan 8.150 nan 0.000 0.444 178 V N -0.180 119.642 119.914 -0.153 0.000 2.295 178 V HA -0.247 3.863 4.120 -0.016 0.000 0.246 178 V C 3.078 179.068 176.094 -0.173 0.000 1.049 178 V CA 1.944 64.159 62.300 -0.141 0.000 1.024 178 V CB -1.269 30.469 31.823 -0.141 0.000 0.648 178 V HN 0.618 nan 8.190 nan 0.000 0.447 179 A N -0.201 122.455 122.820 -0.272 0.000 1.883 179 A HA -0.198 4.113 4.320 -0.016 0.000 0.217 179 A C 2.196 179.565 177.584 -0.359 0.000 1.186 179 A CA 1.993 53.748 52.037 -0.470 0.000 0.624 179 A CB -0.623 17.858 19.000 -0.864 0.000 0.822 179 A HN 0.516 nan 8.150 nan 0.000 0.444 180 L N -0.948 120.141 121.223 -0.223 0.000 2.201 180 L HA -0.129 4.202 4.340 -0.016 0.000 0.212 180 L C 2.677 179.528 176.870 -0.033 0.000 1.105 180 L CA 1.507 56.306 54.840 -0.068 0.000 0.775 180 L CB -0.669 41.359 42.059 -0.051 0.000 0.913 180 L HN 0.331 nan 8.230 nan 0.000 0.440 181 T N -0.757 113.763 114.554 -0.058 0.000 2.821 181 T HA -0.124 4.217 4.350 -0.016 0.000 0.267 181 T C 2.051 176.742 174.700 -0.015 0.000 1.046 181 T CA 1.022 63.102 62.100 -0.033 0.000 1.139 181 T CB -0.068 68.773 68.868 -0.045 0.000 0.871 181 T HN 0.278 nan 8.240 nan 0.000 0.454 182 R N 0.957 121.444 120.500 -0.022 0.000 2.096 182 R HA -0.073 4.258 4.340 -0.016 0.000 0.235 182 R C 2.126 178.451 176.300 0.042 0.000 1.127 182 R CA 1.334 57.439 56.100 0.009 0.000 0.968 182 R CB -0.280 30.028 30.300 0.013 0.000 0.861 182 R HN 0.383 nan 8.270 nan 0.000 0.440 183 D N 0.055 120.495 120.400 0.066 0.000 2.123 183 D HA -0.149 4.481 4.640 -0.016 0.000 0.196 183 D C 1.837 178.171 176.300 0.056 0.000 0.992 183 D CA 1.298 55.349 54.000 0.084 0.000 0.833 183 D CB -0.278 40.593 40.800 0.119 0.000 0.954 183 D HN 0.049 nan 8.370 nan 0.000 0.455 184 S N 0.152 115.876 115.700 0.041 0.000 2.368 184 S HA -0.205 4.256 4.470 -0.016 0.000 0.225 184 S C 1.843 176.462 174.600 0.031 0.000 1.030 184 S CA 1.517 59.737 58.200 0.034 0.000 0.999 184 S CB -0.059 63.153 63.200 0.019 0.000 0.844 184 S HN 0.265 nan 8.310 nan 0.000 0.459 185 E N 0.322 120.537 120.200 0.025 0.000 2.051 185 E HA -0.159 4.181 4.350 -0.016 0.000 0.192 185 E C 2.418 179.038 176.600 0.033 0.000 0.991 185 E CA 0.943 57.357 56.400 0.023 0.000 0.799 185 E CB -0.096 29.614 29.700 0.017 0.000 0.748 185 E HN 0.451 nan 8.360 nan 0.000 0.449 186 R N -0.002 120.522 120.500 0.040 0.000 2.096 186 R HA -0.150 4.181 4.340 -0.016 0.000 0.235 186 R C 2.551 178.889 176.300 0.063 0.000 1.127 186 R CA 1.046 57.174 56.100 0.048 0.000 0.968 186 R CB -0.341 29.987 30.300 0.046 0.000 0.861 186 R HN 0.219 nan 8.270 nan 0.000 0.440 187 L N 0.177 121.442 121.223 0.069 0.000 2.083 187 L HA -0.077 4.254 4.340 -0.016 0.000 0.209 187 L C 2.149 179.065 176.870 0.077 0.000 1.083 187 L CA 2.020 56.917 54.840 0.095 0.000 0.752 187 L CB -0.731 41.384 42.059 0.095 0.000 0.899 187 L HN 0.198 nan 8.230 nan 0.000 0.433 188 G N -1.589 107.241 108.800 0.050 0.000 2.403 188 G HA2 -0.203 3.747 3.960 -0.016 0.000 0.216 188 G HA3 -0.203 3.747 3.960 -0.016 0.000 0.216 188 G C 1.424 176.347 174.900 0.038 0.000 1.154 188 G CA 0.630 45.750 45.100 0.034 0.000 0.784 188 G HN 0.490 nan 8.290 nan 0.000 0.538 189 E N -0.018 120.209 120.200 0.044 0.000 2.077 189 E HA -0.091 4.249 4.350 -0.016 0.000 0.193 189 E C 2.673 179.311 176.600 0.062 0.000 0.989 189 E CA 0.963 57.391 56.400 0.046 0.000 0.800 189 E CB -0.087 29.640 29.700 0.044 0.000 0.746 189 E HN 0.304 nan 8.360 nan 0.000 0.452 190 V N 1.494 121.457 119.914 0.082 0.000 2.427 190 V HA -0.206 3.905 4.120 -0.016 0.000 0.248 190 V C 2.270 178.423 176.094 0.099 0.000 1.051 190 V CA 1.258 63.625 62.300 0.112 0.000 1.048 190 V CB -0.385 31.534 31.823 0.161 0.000 0.666 190 V HN 0.148 nan 8.190 nan 0.000 0.456 191 K N 0.465 120.906 120.400 0.069 0.000 2.074 191 K HA -0.193 4.118 4.320 -0.016 0.000 0.209 191 K C 2.219 178.835 176.600 0.025 0.000 1.048 191 K CA 1.388 57.694 56.287 0.032 0.000 0.926 191 K CB -0.285 32.221 32.500 0.009 0.000 0.713 191 K HN 0.356 nan 8.250 nan 0.000 0.444 192 K N 0.381 120.801 120.400 0.033 0.000 2.032 192 K HA -0.138 4.173 4.320 -0.016 0.000 0.209 192 K C 2.212 178.841 176.600 0.049 0.000 1.048 192 K CA 1.261 57.567 56.287 0.033 0.000 0.927 192 K CB -0.316 32.204 32.500 0.033 0.000 0.712 192 K HN 0.196 nan 8.250 nan 0.000 0.441 193 R N 0.333 120.873 120.500 0.066 0.000 2.148 193 R HA 0.100 4.430 4.340 -0.016 0.000 0.223 193 R C 2.412 178.759 176.300 0.079 0.000 1.088 193 R CA 0.592 56.740 56.100 0.080 0.000 0.985 193 R CB -0.173 30.189 30.300 0.103 0.000 0.880 193 R HN 0.160 nan 8.270 nan 0.000 0.451 194 I N 0.752 121.369 120.570 0.078 0.000 2.546 194 I HA -0.177 3.984 4.170 -0.016 0.000 0.255 194 I C 1.145 177.288 176.117 0.042 0.000 1.163 194 I CA 0.645 61.963 61.300 0.031 0.000 1.457 194 I CB -0.098 37.929 38.000 0.046 0.000 1.092 194 I HN 0.050 nan 8.210 nan 0.000 0.434 195 N N 0.972 119.709 118.700 0.062 0.000 2.482 195 N HA 0.042 4.772 4.740 -0.016 0.000 0.220 195 N C -0.762 174.924 175.510 0.295 0.000 1.255 195 N CA 0.180 53.300 53.050 0.116 0.000 0.850 195 N CB -0.081 38.405 38.487 -0.002 0.000 1.127 195 N HN -0.068 nan 8.380 nan 0.000 0.475 196 V N 1.550 121.608 119.914 0.241 0.000 2.448 196 V HA 0.301 4.412 4.120 -0.016 0.000 0.295 196 V C -0.023 175.994 176.094 -0.128 0.000 1.025 196 V CA -1.168 61.190 62.300 0.096 0.000 0.859 196 V CB 1.703 33.533 31.823 0.012 0.000 0.988 196 V HN 0.065 nan 8.190 nan 0.000 0.431 197 L N 9.261 130.255 121.223 -0.382 0.000 2.367 197 L HA 0.468 4.799 4.340 -0.016 0.000 0.275 197 L C -1.567 175.038 176.870 -0.442 0.000 1.129 197 L CA -0.712 53.608 54.840 -0.865 0.000 0.839 197 L CB 1.080 42.662 42.059 -0.794 0.000 1.133 197 L HN 0.414 nan 8.230 nan 0.000 0.453 198 P HA 0.044 nan 4.420 nan 0.000 0.268 198 P C 0.081 177.267 177.300 -0.190 0.000 1.248 198 P CA -0.252 62.709 63.100 -0.233 0.000 0.851 198 P CB 0.387 31.969 31.700 -0.198 0.000 1.238 199 L N 1.534 122.618 121.223 -0.232 0.000 2.513 199 L HA 0.351 4.682 4.340 -0.016 0.000 0.272 199 L C 1.267 178.087 176.870 -0.084 0.000 1.187 199 L CA 1.867 56.615 54.840 -0.154 0.000 0.895 199 L CB -0.836 41.140 42.059 -0.139 0.000 1.147 199 L HN 0.394 nan 8.230 nan 0.000 0.483 200 G N 2.184 110.954 108.800 -0.050 0.000 2.192 200 G HA2 -0.237 3.714 3.960 -0.016 0.000 0.193 200 G HA3 -0.237 3.714 3.960 -0.016 0.000 0.193 200 G C 0.825 175.714 174.900 -0.018 0.000 0.999 200 G CA 0.226 45.329 45.100 0.004 0.000 0.659 200 G HN 0.644 nan 8.290 nan 0.000 0.503 201 S N 0.475 116.148 115.700 -0.046 0.000 2.558 201 S HA 0.443 4.904 4.470 -0.016 0.000 0.217 201 S C 1.972 176.550 174.600 -0.037 0.000 0.975 201 S CA 1.233 59.411 58.200 -0.036 0.000 0.912 201 S CB 0.100 63.276 63.200 -0.041 0.000 0.776 201 S HN 2.168 nan 8.310 nan 0.000 0.526 202 G N 1.846 110.614 108.800 -0.053 0.000 2.574 202 G HA2 -0.243 3.707 3.960 -0.016 0.000 0.282 202 G HA3 -0.243 3.707 3.960 -0.016 0.000 0.282 202 G C 0.902 175.756 174.900 -0.076 0.000 1.257 202 G CA 0.036 45.100 45.100 -0.061 0.000 0.956 202 G HN 0.714 nan 8.290 nan 0.000 0.560 203 A N -0.911 121.869 122.820 -0.066 0.000 2.066 203 A HA 0.480 4.790 4.320 -0.016 0.000 0.218 203 A C 2.072 179.635 177.584 -0.036 0.000 1.157 203 A CA 2.903 54.894 52.037 -0.076 0.000 0.670 203 A CB -0.420 18.543 19.000 -0.063 0.000 0.804 203 A HN 2.211 nan 8.150 nan 0.000 0.453 204 L N -7.231 113.982 121.223 -0.017 0.000 2.579 204 L HA 0.263 4.593 4.340 -0.016 0.000 0.301 204 L C 1.553 178.426 176.870 0.004 0.000 1.133 204 L CA 0.592 55.435 54.840 0.006 0.000 1.545 204 L CB -0.815 41.258 42.059 0.023 0.000 2.643 204 L HN -0.008 nan 8.230 nan 0.000 0.517 205 A N 0.972 123.792 122.820 0.000 0.000 2.132 205 A HA 0.700 5.011 4.320 -0.016 0.000 0.213 205 A C 1.379 178.964 177.584 0.001 0.000 1.154 205 A CA 1.409 53.448 52.037 0.003 0.000 0.753 205 A CB -0.351 18.651 19.000 0.003 0.000 0.826 205 A HN 1.437 nan 8.150 nan 0.000 0.469 206 G N -0.826 107.972 108.800 -0.003 0.000 2.342 206 G HA2 0.012 3.962 3.960 -0.016 0.000 0.220 206 G HA3 0.012 3.962 3.960 -0.016 0.000 0.220 206 G C -0.758 174.146 174.900 0.006 0.000 1.243 206 G CA -0.227 44.873 45.100 -0.001 0.000 1.083 206 G HN 0.721 nan 8.290 nan 0.000 0.500 207 N N 1.134 119.844 118.700 0.017 0.000 2.372 207 N HA 0.724 5.455 4.740 -0.016 0.000 0.291 207 N C -1.191 174.336 175.510 0.028 0.000 1.024 207 N CA -1.338 51.734 53.050 0.037 0.000 0.873 207 N CB 2.228 40.753 38.487 0.064 0.000 1.206 207 N HN 0.401 nan 8.380 nan 0.000 0.486 208 P HA 0.188 nan 4.420 nan 0.000 0.266 208 P C -0.176 177.134 177.300 0.016 0.000 1.381 208 P CA 0.257 63.369 63.100 0.020 0.000 0.940 208 P CB 0.287 31.998 31.700 0.019 0.000 1.435 209 L N -0.863 120.371 121.223 0.019 0.000 2.808 209 L HA 0.253 4.583 4.340 -0.016 0.000 0.246 209 L C 0.326 177.190 176.870 -0.009 0.000 1.153 209 L CA -0.102 54.740 54.840 0.003 0.000 0.956 209 L CB -0.542 41.515 42.059 -0.002 0.000 1.270 209 L HN -0.055 nan 8.230 nan 0.000 0.528 210 D N 1.312 121.711 120.400 -0.002 0.000 2.723 210 D HA -0.244 4.386 4.640 -0.016 0.000 0.236 210 D C 0.045 176.335 176.300 -0.016 0.000 1.138 210 D CA 0.298 54.294 54.000 -0.007 0.000 0.676 210 D CB -0.797 39.997 40.800 -0.010 0.000 1.069 210 D HN 0.207 nan 8.370 nan 0.000 0.430 211 I N 0.876 121.438 120.570 -0.013 0.000 2.752 211 I HA 0.075 4.236 4.170 -0.016 0.000 0.287 211 I C 0.454 176.560 176.117 -0.019 0.000 1.188 211 I CA 0.118 61.399 61.300 -0.032 0.000 1.427 211 I CB 0.607 38.604 38.000 -0.005 0.000 1.365 211 I HN 0.113 nan 8.210 nan 0.000 0.585 212 D N 6.994 127.376 120.400 -0.031 0.000 2.402 212 D HA 0.103 4.733 4.640 -0.016 0.000 0.235 212 D C 1.009 177.305 176.300 -0.007 0.000 1.226 212 D CA 0.108 54.097 54.000 -0.018 0.000 0.918 212 D CB 0.461 41.248 40.800 -0.022 0.000 1.043 212 D HN 0.409 nan 8.370 nan 0.000 0.506 213 R N 2.522 123.020 120.500 -0.003 0.000 2.115 213 R HA -0.131 4.200 4.340 -0.016 0.000 0.230 213 R C 1.392 177.690 176.300 -0.002 0.000 1.111 213 R CA 0.743 56.840 56.100 -0.004 0.000 0.976 213 R CB 0.011 30.303 30.300 -0.013 0.000 0.870 213 R HN 0.412 nan 8.270 nan 0.000 0.445 214 E N 1.328 121.528 120.200 0.001 0.000 2.150 214 E HA -0.146 4.194 4.350 -0.016 0.000 0.193 214 E C 1.846 178.455 176.600 0.015 0.000 0.985 214 E CA 1.123 57.528 56.400 0.008 0.000 0.814 214 E CB -0.148 29.555 29.700 0.006 0.000 0.752 214 E HN 0.225 nan 8.360 nan 0.000 0.466 215 M N -0.474 119.131 119.600 0.009 0.000 2.123 215 M HA -0.082 4.389 4.480 -0.016 0.000 0.263 215 M C 1.901 178.216 176.300 0.026 0.000 1.069 215 M CA 1.253 56.560 55.300 0.012 0.000 1.133 215 M CB -0.068 32.531 32.600 -0.002 0.000 1.356 215 M HN 0.203 nan 8.290 nan 0.000 0.415 216 L N -0.240 120.998 121.223 0.026 0.000 2.012 216 L HA -0.261 4.070 4.340 -0.016 0.000 0.210 216 L C 2.845 179.755 176.870 0.066 0.000 1.073 216 L CA 1.579 56.445 54.840 0.043 0.000 0.748 216 L CB -0.999 41.079 42.059 0.031 0.000 0.891 216 L HN 0.415 nan 8.230 nan 0.000 0.431 217 R N -0.051 120.479 120.500 0.049 0.000 2.097 217 R HA -0.233 4.098 4.340 -0.016 0.000 0.236 217 R C 2.539 178.923 176.300 0.139 0.000 1.135 217 R CA 2.292 58.455 56.100 0.104 0.000 0.934 217 R CB -0.586 29.753 30.300 0.065 0.000 0.846 217 R HN 0.243 nan 8.270 nan 0.000 0.431 218 S N 0.250 115.997 115.700 0.079 0.000 2.365 218 S HA -0.204 4.257 4.470 -0.016 0.000 0.225 218 S C 1.886 176.523 174.600 0.062 0.000 1.039 218 S CA 1.792 60.028 58.200 0.060 0.000 1.033 218 S CB -0.274 62.947 63.200 0.035 0.000 0.887 218 S HN 0.472 nan 8.310 nan 0.000 0.447 219 E N 0.007 120.247 120.200 0.066 0.000 2.107 219 E HA -0.031 4.310 4.350 -0.016 0.000 0.191 219 E C 1.713 178.362 176.600 0.083 0.000 0.982 219 E CA 0.823 57.259 56.400 0.061 0.000 0.809 219 E CB -0.076 29.656 29.700 0.054 0.000 0.756 219 E HN 0.533 nan 8.360 nan 0.000 0.459 220 L N 0.410 121.724 121.223 0.152 0.000 2.591 220 L HA 0.080 4.411 4.340 -0.016 0.000 0.228 220 L C 0.088 177.020 176.870 0.103 0.000 1.133 220 L CA 0.283 55.250 54.840 0.213 0.000 0.880 220 L CB -0.109 42.212 42.059 0.437 0.000 1.033 220 L HN 0.098 nan 8.230 nan 0.000 0.450 221 E N -0.458 119.789 120.200 0.077 0.000 2.416 221 E HA -0.221 4.120 4.350 -0.016 0.000 0.249 221 E C -0.487 176.023 176.600 -0.149 0.000 1.124 221 E CA 0.169 56.545 56.400 -0.041 0.000 0.732 221 E CB -1.432 28.203 29.700 -0.109 0.000 1.286 221 E HN 0.231 nan 8.360 nan 0.000 0.394 222 F N -0.331 119.604 119.950 -0.025 0.000 2.399 222 F HA 0.452 4.976 4.527 -0.006 0.000 0.328 222 F C 1.524 177.310 175.800 -0.024 0.000 1.084 222 F CA 0.133 58.114 58.000 -0.031 0.000 1.053 222 F CB 0.899 39.877 39.000 -0.037 0.000 1.209 222 F HN 0.033 nan 8.300 nan 0.000 0.502 223 A N 0.986 123.889 122.820 0.139 0.000 2.067 223 A HA 0.243 4.554 4.320 -0.016 0.000 0.217 223 A C 0.585 178.217 177.584 0.081 0.000 1.156 223 A CA 1.300 53.383 52.037 0.076 0.000 0.683 223 A CB -0.478 18.547 19.000 0.043 0.000 0.808 223 A HN 0.744 nan 8.150 nan 0.000 0.455 224 S N -1.914 113.851 115.700 0.109 0.000 2.669 224 S HA 0.545 5.006 4.470 -0.016 0.000 0.266 224 S C -0.766 173.853 174.600 0.031 0.000 1.149 224 S CA -0.314 57.921 58.200 0.058 0.000 0.842 224 S CB 0.066 63.289 63.200 0.039 0.000 1.160 224 S HN 0.988 nan 8.310 nan 0.000 0.487 225 I N -0.175 120.391 120.570 -0.006 0.000 2.797 225 I HA 0.788 4.949 4.170 -0.016 0.000 0.307 225 I C 0.124 176.214 176.117 -0.044 0.000 1.033 225 I CA -0.840 60.428 61.300 -0.052 0.000 1.071 225 I CB 2.113 40.082 38.000 -0.051 0.000 1.255 225 I HN 0.868 nan 8.210 nan 0.000 0.445 226 S N 4.312 119.969 115.700 -0.071 0.000 2.549 226 S HA 0.208 4.669 4.470 -0.016 0.000 0.286 226 S C 0.811 175.396 174.600 -0.025 0.000 1.314 226 S CA -0.578 57.594 58.200 -0.047 0.000 1.062 226 S CB 0.816 63.978 63.200 -0.063 0.000 0.865 226 S HN 0.706 nan 8.310 nan 0.000 0.498 227 L N 1.305 122.522 121.223 -0.009 0.000 2.240 227 L HA 0.155 4.486 4.340 -0.016 0.000 0.211 227 L C 1.271 178.140 176.870 -0.001 0.000 1.106 227 L CA 0.568 55.406 54.840 -0.002 0.000 0.793 227 L CB -0.469 41.593 42.059 0.005 0.000 0.927 227 L HN 0.763 nan 8.230 nan 0.000 0.446 228 N N -0.694 118.006 118.700 0.001 0.000 2.397 228 N HA 0.039 4.770 4.740 -0.016 0.000 0.291 228 N C 0.624 176.136 175.510 0.003 0.000 1.065 228 N CA 0.348 53.400 53.050 0.004 0.000 0.884 228 N CB 1.915 40.408 38.487 0.010 0.000 1.551 228 N HN -0.069 nan 8.380 nan 0.000 0.487 229 S N 3.699 119.399 115.700 0.001 0.000 2.382 229 S HA -0.136 4.325 4.470 -0.016 0.000 0.228 229 S C 1.897 176.504 174.600 0.011 0.000 1.027 229 S CA 0.832 59.032 58.200 -0.001 0.000 0.991 229 S CB -0.154 63.044 63.200 -0.004 0.000 0.823 229 S HN 0.657 nan 8.310 nan 0.000 0.469 230 M N 1.641 121.251 119.600 0.017 0.000 2.099 230 M HA -0.071 4.399 4.480 -0.016 0.000 0.262 230 M C 2.262 178.584 176.300 0.036 0.000 1.067 230 M CA 2.081 57.397 55.300 0.027 0.000 1.124 230 M CB -0.591 32.023 32.600 0.024 0.000 1.353 230 M HN 0.435 nan 8.290 nan 0.000 0.410 231 D N 0.375 120.794 120.400 0.032 0.000 2.097 231 D HA -0.158 4.473 4.640 -0.016 0.000 0.195 231 D C 1.867 178.200 176.300 0.055 0.000 0.989 231 D CA 1.869 55.893 54.000 0.041 0.000 0.827 231 D CB 0.039 40.860 40.800 0.035 0.000 0.966 231 D HN 0.275 nan 8.370 nan 0.000 0.456 232 A N 0.078 122.921 122.820 0.039 0.000 1.948 232 A HA -0.133 4.178 4.320 -0.016 0.000 0.220 232 A C 2.112 179.734 177.584 0.063 0.000 1.177 232 A CA 2.058 54.116 52.037 0.036 0.000 0.636 232 A CB -0.915 18.080 19.000 -0.009 0.000 0.815 232 A HN 0.569 nan 8.150 nan 0.000 0.449 233 I N -2.463 118.147 120.570 0.066 0.000 3.956 233 I HA 0.191 4.351 4.170 -0.016 0.000 0.333 233 I C 1.475 177.693 176.117 0.168 0.000 1.302 233 I CA 1.055 62.418 61.300 0.105 0.000 1.122 233 I CB 0.114 38.150 38.000 0.061 0.000 1.013 233 I HN 0.167 nan 8.210 nan 0.000 0.405 234 S N -0.002 115.770 115.700 0.120 0.000 2.505 234 S HA 0.206 4.667 4.470 -0.016 0.000 0.216 234 S C 0.657 175.299 174.600 0.071 0.000 1.018 234 S CA -0.138 58.118 58.200 0.093 0.000 0.911 234 S CB -0.467 62.770 63.200 0.061 0.000 0.818 234 S HN 0.599 nan 8.310 nan 0.000 0.497 235 E N 0.925 121.185 120.200 0.100 0.000 2.248 235 E HA 0.581 4.922 4.350 -0.016 0.000 0.272 235 E C 0.062 176.734 176.600 0.120 0.000 1.008 235 E CA -0.918 55.539 56.400 0.095 0.000 0.856 235 E CB 0.719 30.486 29.700 0.112 0.000 1.120 235 E HN -0.048 nan 8.360 nan 0.000 0.397 236 R N 1.913 122.414 120.500 0.003 0.000 2.615 236 R HA 0.132 4.463 4.340 -0.016 0.000 0.448 236 R C -0.459 175.687 176.300 -0.256 0.000 1.009 236 R CA -0.202 55.760 56.100 -0.231 0.000 1.111 236 R CB 0.056 30.217 30.300 -0.232 0.000 1.461 236 R HN 0.626 nan 8.270 nan 0.000 0.587 237 D N 0.924 121.308 120.400 -0.026 0.000 2.116 237 D HA -0.212 4.418 4.640 -0.016 0.000 0.193 237 D C 1.672 177.988 176.300 0.027 0.000 0.998 237 D CA 1.554 55.569 54.000 0.024 0.000 0.836 237 D CB -0.325 40.538 40.800 0.105 0.000 0.951 237 D HN 0.352 nan 8.370 nan 0.000 0.449 238 F N 0.243 120.235 119.950 0.071 0.000 2.192 238 F HA -0.162 4.356 4.527 -0.016 0.000 0.301 238 F C 2.012 177.887 175.800 0.124 0.000 1.079 238 F CA 0.664 58.717 58.000 0.089 0.000 1.303 238 F CB -0.943 38.103 39.000 0.077 0.000 1.024 238 F HN -0.141 nan 8.300 nan 0.000 0.494 239 V N 0.634 120.169 119.914 -0.633 0.000 2.283 239 V HA -0.210 3.901 4.120 -0.016 0.000 0.243 239 V C 2.587 178.650 176.094 -0.050 0.000 1.039 239 V CA 1.551 63.655 62.300 -0.326 0.000 1.016 239 V CB -0.611 30.927 31.823 -0.474 0.000 0.650 239 V HN 0.349 nan 8.190 nan 0.000 0.449 240 V N 0.212 120.072 119.914 -0.091 0.000 2.282 240 V HA -0.318 3.793 4.120 -0.016 0.000 0.249 240 V C 2.459 178.566 176.094 0.022 0.000 1.057 240 V CA 2.288 64.570 62.300 -0.030 0.000 1.032 240 V CB -0.756 31.047 31.823 -0.034 0.000 0.645 240 V HN 0.638 nan 8.190 nan 0.000 0.447 241 E N -0.571 119.667 120.200 0.063 0.000 2.038 241 E HA -0.257 4.084 4.350 -0.016 0.000 0.195 241 E C 2.114 178.792 176.600 0.129 0.000 1.000 241 E CA 1.706 58.164 56.400 0.096 0.000 0.803 241 E CB -0.342 29.438 29.700 0.135 0.000 0.750 241 E HN 0.589 nan 8.360 nan 0.000 0.448 242 F N 2.069 122.043 119.950 0.040 0.000 2.065 242 F HA -0.224 4.297 4.527 -0.010 0.000 0.298 242 F C 2.039 177.858 175.800 0.032 0.000 1.112 242 F CA 1.475 59.504 58.000 0.048 0.000 1.212 242 F CB -0.446 38.597 39.000 0.071 0.000 0.975 242 F HN -0.091 nan 8.300 nan 0.000 0.476 243 L N -0.639 120.497 121.223 -0.145 0.000 2.079 243 L HA -0.241 4.090 4.340 -0.016 0.000 0.210 243 L C 2.507 179.272 176.870 -0.175 0.000 1.081 243 L CA 1.416 56.108 54.840 -0.247 0.000 0.752 243 L CB -1.023 40.986 42.059 -0.083 0.000 0.896 243 L HN 0.143 nan 8.230 nan 0.000 0.433 244 S N -0.432 115.216 115.700 -0.086 0.000 2.345 244 S HA -0.130 4.331 4.470 -0.016 0.000 0.220 244 S C 2.064 176.618 174.600 -0.077 0.000 1.031 244 S CA 1.117 59.288 58.200 -0.048 0.000 0.996 244 S CB -0.222 62.972 63.200 -0.010 0.000 0.882 244 S HN 0.140 nan 8.310 nan 0.000 0.445 245 V N 2.193 122.062 119.914 -0.076 0.000 2.332 245 V HA -0.231 3.879 4.120 -0.016 0.000 0.248 245 V C 2.644 178.659 176.094 -0.131 0.000 1.055 245 V CA 1.795 64.055 62.300 -0.067 0.000 1.038 245 V CB -1.209 30.615 31.823 0.001 0.000 0.651 245 V HN 0.538 nan 8.190 nan 0.000 0.450 246 A N -0.506 122.153 122.820 -0.268 0.000 1.877 246 A HA -0.228 4.083 4.320 -0.016 0.000 0.216 246 A C 2.402 179.880 177.584 -0.177 0.000 1.186 246 A CA 2.516 54.376 52.037 -0.294 0.000 0.620 246 A CB -1.018 17.639 19.000 -0.571 0.000 0.822 246 A HN 0.499 nan 8.150 nan 0.000 0.443 247 T N 0.182 114.646 114.554 -0.151 0.000 2.652 247 T HA -0.168 4.172 4.350 -0.016 0.000 0.267 247 T C 1.844 176.468 174.700 -0.127 0.000 1.039 247 T CA 1.653 63.703 62.100 -0.083 0.000 1.153 247 T CB -0.428 68.439 68.868 -0.001 0.000 0.863 247 T HN 0.306 nan 8.240 nan 0.000 0.428 248 L N 1.093 122.224 121.223 -0.153 0.000 2.083 248 L HA 0.068 4.399 4.340 -0.016 0.000 0.209 248 L C 2.178 178.840 176.870 -0.347 0.000 1.083 248 L CA 1.424 56.111 54.840 -0.256 0.000 0.752 248 L CB -0.954 40.981 42.059 -0.206 0.000 0.899 248 L HN 0.282 nan 8.230 nan 0.000 0.433 249 L N -1.390 119.729 121.223 -0.173 0.000 2.012 249 L HA -0.244 4.087 4.340 -0.016 0.000 0.210 249 L C 2.416 179.247 176.870 -0.065 0.000 1.073 249 L CA 1.580 56.383 54.840 -0.063 0.000 0.748 249 L CB -0.166 41.881 42.059 -0.020 0.000 0.891 249 L HN 0.305 nan 8.230 nan 0.000 0.431 250 L N -0.581 120.590 121.223 -0.087 0.000 2.201 250 L HA -0.217 4.113 4.340 -0.016 0.000 0.212 250 L C 2.382 179.203 176.870 -0.082 0.000 1.105 250 L CA 0.429 55.230 54.840 -0.064 0.000 0.775 250 L CB -0.262 41.765 42.059 -0.054 0.000 0.913 250 L HN 0.294 nan 8.230 nan 0.000 0.440 251 I N -0.799 119.680 120.570 -0.152 0.000 2.252 251 I HA -0.274 3.887 4.170 -0.016 0.000 0.245 251 I C 2.619 178.685 176.117 -0.085 0.000 1.102 251 I CA 1.450 62.654 61.300 -0.160 0.000 1.385 251 I CB -1.263 36.590 38.000 -0.245 0.000 1.064 251 I HN 0.329 nan 8.210 nan 0.000 0.414 252 H N 0.796 119.841 119.070 -0.042 0.000 2.319 252 H HA -0.089 4.457 4.556 -0.016 0.000 0.299 252 H C 2.425 177.723 175.328 -0.049 0.000 1.092 252 H CA 1.223 57.256 56.048 -0.025 0.000 1.302 252 H CB -0.513 29.237 29.762 -0.020 0.000 1.373 252 H HN 0.277 nan 8.280 nan 0.000 0.497 253 L N 0.685 121.942 121.223 0.056 0.000 2.141 253 L HA -0.145 4.185 4.340 -0.016 0.000 0.209 253 L C 2.627 179.464 176.870 -0.055 0.000 1.094 253 L CA 1.374 56.194 54.840 -0.032 0.000 0.763 253 L CB -0.489 41.550 42.059 -0.033 0.000 0.908 253 L HN 0.316 nan 8.230 nan 0.000 0.437 254 S N -0.326 115.350 115.700 -0.039 0.000 2.402 254 S HA -0.150 4.311 4.470 -0.016 0.000 0.229 254 S C 1.879 176.451 174.600 -0.046 0.000 1.021 254 S CA 0.654 58.825 58.200 -0.047 0.000 0.974 254 S CB -0.125 63.045 63.200 -0.050 0.000 0.800 254 S HN 0.406 nan 8.310 nan 0.000 0.484 255 K N 0.633 121.024 120.400 -0.016 0.000 2.076 255 K HA 0.136 4.447 4.320 -0.016 0.000 0.204 255 K C 2.337 178.929 176.600 -0.013 0.000 1.051 255 K CA 1.268 57.565 56.287 0.016 0.000 0.949 255 K CB -0.327 32.228 32.500 0.092 0.000 0.726 255 K HN 0.388 nan 8.250 nan 0.000 0.443 256 M N 0.962 120.480 119.600 -0.137 0.000 2.159 256 M HA -0.158 4.313 4.480 -0.016 0.000 0.263 256 M C 2.165 178.333 176.300 -0.220 0.000 1.063 256 M CA 1.574 56.609 55.300 -0.442 0.000 1.110 256 M CB -0.087 32.064 32.600 -0.749 0.000 1.374 256 M HN 0.197 nan 8.290 nan 0.000 0.411 257 A N 0.014 122.744 122.820 -0.151 0.000 1.877 257 A HA -0.238 4.073 4.320 -0.016 0.000 0.216 257 A C 1.827 179.340 177.584 -0.119 0.000 1.186 257 A CA 2.121 54.091 52.037 -0.111 0.000 0.620 257 A CB -0.892 18.059 19.000 -0.081 0.000 0.822 257 A HN 0.641 nan 8.150 nan 0.000 0.443 258 E N 0.524 120.655 120.200 -0.113 0.000 2.070 258 E HA -0.232 4.109 4.350 -0.016 0.000 0.197 258 E C 1.464 177.926 176.600 -0.230 0.000 1.004 258 E CA 1.878 58.196 56.400 -0.137 0.000 0.805 258 E CB -0.265 29.374 29.700 -0.102 0.000 0.744 258 E HN 0.548 nan 8.360 nan 0.000 0.451 259 D N 0.069 120.328 120.400 -0.234 0.000 2.087 259 D HA -0.179 4.452 4.640 -0.016 0.000 0.192 259 D C 2.093 177.967 176.300 -0.711 0.000 0.993 259 D CA 1.474 55.178 54.000 -0.492 0.000 0.828 259 D CB -0.379 40.357 40.800 -0.107 0.000 0.968 259 D HN 0.278 nan 8.370 nan 0.000 0.448 260 L N 0.414 121.460 121.223 -0.296 0.000 2.191 260 L HA -0.093 4.238 4.340 -0.016 0.000 0.212 260 L C 2.538 179.342 176.870 -0.111 0.000 1.103 260 L CA 0.450 55.225 54.840 -0.108 0.000 0.769 260 L CB -0.264 41.810 42.059 0.025 0.000 0.908 260 L HN 0.029 nan 8.230 nan 0.000 0.438 261 I N -0.160 120.314 120.570 -0.160 0.000 2.252 261 I HA -0.277 3.883 4.170 -0.016 0.000 0.245 261 I C 2.386 178.388 176.117 -0.193 0.000 1.102 261 I CA 1.427 62.649 61.300 -0.131 0.000 1.385 261 I CB -0.096 37.834 38.000 -0.116 0.000 1.064 261 I HN 0.154 nan 8.210 nan 0.000 0.414 262 I N -0.361 120.010 120.570 -0.332 0.000 2.252 262 I HA -0.287 3.874 4.170 -0.016 0.000 0.245 262 I C 2.235 178.032 176.117 -0.533 0.000 1.102 262 I CA 1.163 62.154 61.300 -0.515 0.000 1.385 262 I CB -0.361 37.212 38.000 -0.711 0.000 1.064 262 I HN 0.179 nan 8.210 nan 0.000 0.414 263 Y N 0.450 120.473 120.300 -0.462 0.000 2.497 263 Y HA -0.093 4.448 4.550 -0.015 0.000 0.292 263 Y C 2.751 178.567 175.900 -0.140 0.000 1.137 263 Y CA 0.306 58.237 58.100 -0.282 0.000 1.285 263 Y CB -1.083 37.399 38.460 0.037 0.000 0.991 263 Y HN 0.123 nan 8.280 nan 0.000 0.556 264 S N -0.685 115.030 115.700 0.025 0.000 2.496 264 S HA -0.036 4.424 4.470 -0.016 0.000 0.224 264 S C 1.086 175.684 174.600 -0.003 0.000 0.996 264 S CA 0.459 58.674 58.200 0.025 0.000 0.927 264 S CB -0.430 62.778 63.200 0.015 0.000 0.774 264 S HN 0.569 nan 8.310 nan 0.000 0.524 265 T N 1.081 115.612 114.554 -0.038 0.000 2.855 265 T HA 0.115 4.455 4.350 -0.016 0.000 0.314 265 T C 1.430 176.144 174.700 0.023 0.000 1.077 265 T CA 0.190 62.285 62.100 -0.009 0.000 1.095 265 T CB 0.971 69.839 68.868 -0.000 0.000 0.987 265 T HN 0.192 nan 8.240 nan 0.000 0.546 266 S N 0.728 116.440 115.700 0.021 0.000 2.402 266 S HA -0.115 4.346 4.470 -0.016 0.000 0.229 266 S C 1.624 176.231 174.600 0.012 0.000 1.021 266 S CA 0.746 58.954 58.200 0.014 0.000 0.974 266 S CB -0.577 62.627 63.200 0.008 0.000 0.800 266 S HN 0.790 nan 8.310 nan 0.000 0.484 267 E N 1.024 121.248 120.200 0.041 0.000 2.085 267 E HA -0.017 4.324 4.350 -0.016 0.000 0.194 267 E C 1.470 178.040 176.600 -0.051 0.000 0.994 267 E CA 1.497 57.912 56.400 0.026 0.000 0.801 267 E CB -0.423 29.335 29.700 0.097 0.000 0.743 267 E HN 0.640 nan 8.360 nan 0.000 0.453 268 F N -0.828 118.960 119.950 -0.269 0.000 2.220 268 F HA 0.209 4.727 4.527 -0.015 0.000 0.290 268 F C 1.878 177.345 175.800 -0.555 0.000 1.080 268 F CA 1.045 58.694 58.000 -0.584 0.000 1.318 268 F CB -0.435 38.097 39.000 -0.780 0.000 1.063 268 F HN 0.141 nan 8.300 nan 0.000 0.498 269 G N -0.072 108.676 108.800 -0.087 0.000 2.283 269 G HA2 -0.325 3.626 3.960 -0.016 0.000 0.280 269 G HA3 -0.325 3.626 3.960 -0.016 0.000 0.280 269 G C 0.774 175.753 174.900 0.131 0.000 1.029 269 G CA 0.569 45.671 45.100 0.004 0.000 0.840 269 G HN 0.245 nan 8.290 nan 0.000 0.505 270 F N -0.774 119.176 119.950 -0.001 0.000 2.293 270 F HA 0.386 4.903 4.527 -0.016 0.000 0.297 270 F C 1.529 177.228 175.800 -0.167 0.000 1.089 270 F CA 0.846 58.763 58.000 -0.138 0.000 1.377 270 F CB -0.363 38.489 39.000 -0.248 0.000 1.051 270 F HN 0.485 nan 8.300 nan 0.000 0.511 271 L N -4.007 117.289 121.223 0.122 0.000 2.720 271 L HA 0.777 5.108 4.340 -0.016 0.000 0.261 271 L C -0.674 176.237 176.870 0.068 0.000 1.046 271 L CA -0.728 54.142 54.840 0.050 0.000 0.886 271 L CB 1.962 44.053 42.059 0.054 0.000 1.493 271 L HN -0.307 nan 8.230 nan 0.000 0.407 272 T N 0.660 115.249 114.554 0.058 0.000 2.971 272 T HA 0.685 5.026 4.350 -0.016 0.000 0.304 272 T C -1.015 173.730 174.700 0.075 0.000 1.038 272 T CA -0.310 61.825 62.100 0.060 0.000 1.007 272 T CB 0.939 69.833 68.868 0.044 0.000 1.055 272 T HN 0.672 nan 8.240 nan 0.000 0.451 273 L N 4.060 125.334 121.223 0.085 0.000 2.464 273 L HA 0.485 4.815 4.340 -0.016 0.000 0.264 273 L C 1.151 178.097 176.870 0.127 0.000 1.199 273 L CA 0.411 55.319 54.840 0.114 0.000 0.818 273 L CB 1.031 43.165 42.059 0.125 0.000 1.102 273 L HN 0.894 nan 8.230 nan 0.000 0.473 274 S N -0.050 115.761 115.700 0.184 0.000 2.624 274 S HA 0.122 4.583 4.470 -0.016 0.000 0.263 274 S C 0.630 175.303 174.600 0.121 0.000 1.287 274 S CA -0.529 57.767 58.200 0.160 0.000 0.990 274 S CB 0.539 63.868 63.200 0.215 0.000 0.950 274 S HN 0.583 nan 8.310 nan 0.000 0.561 275 D N 1.220 121.652 120.400 0.054 0.000 2.218 275 D HA -0.005 4.626 4.640 -0.016 0.000 0.204 275 D C 2.071 178.337 176.300 -0.057 0.000 0.976 275 D CA 1.553 55.557 54.000 0.007 0.000 0.853 275 D CB -0.762 40.035 40.800 -0.006 0.000 0.939 275 D HN 0.710 nan 8.370 nan 0.000 0.481 276 A N -0.348 122.394 122.820 -0.130 0.000 2.015 276 A HA -0.094 4.217 4.320 -0.016 0.000 0.219 276 A C 1.308 178.501 177.584 -0.652 0.000 1.163 276 A CA 0.775 52.566 52.037 -0.410 0.000 0.646 276 A CB -0.505 18.158 19.000 -0.562 0.000 0.806 276 A HN 0.212 nan 8.150 nan 0.000 0.448 277 F N -0.384 119.571 119.950 0.009 0.000 2.668 277 F HA 0.321 4.837 4.527 -0.017 0.000 0.301 277 F C 0.615 176.419 175.800 0.006 0.000 1.106 277 F CA -0.079 57.925 58.000 0.007 0.000 1.289 277 F CB 0.416 39.423 39.000 0.011 0.000 1.006 277 F HN -0.066 nan 8.300 nan 0.000 0.535 278 S N -1.011 114.734 115.700 0.076 0.000 2.709 278 S HA 0.798 5.259 4.470 -0.016 0.000 0.302 278 S C -0.278 174.330 174.600 0.013 0.000 1.127 278 S CA -0.606 57.627 58.200 0.055 0.000 0.905 278 S CB 2.439 65.671 63.200 0.054 0.000 1.151 278 S HN -0.031 nan 8.310 nan 0.000 0.510 279 T N 0.331 114.892 114.554 0.013 0.000 2.889 279 T HA 0.630 4.970 4.350 -0.016 0.000 0.315 279 T C 0.144 174.846 174.700 0.002 0.000 1.291 279 T CA -0.509 61.591 62.100 0.000 0.000 1.028 279 T CB 1.609 70.477 68.868 -0.001 0.000 1.235 279 T HN 0.744 nan 8.240 nan 0.000 0.491 280 G N 0.605 109.404 108.800 -0.002 0.000 2.531 280 G HA2 0.590 4.540 3.960 -0.016 0.000 0.281 280 G HA3 0.590 4.540 3.960 -0.016 0.000 0.281 280 G C -0.704 174.196 174.900 -0.001 0.000 1.382 280 G CA -0.373 44.726 45.100 -0.001 0.000 1.045 280 G HN 0.700 nan 8.290 nan 0.000 0.533 281 S N -1.684 114.015 115.700 -0.001 0.000 2.561 281 S HA 0.393 4.854 4.470 -0.016 0.000 0.303 281 S C 1.108 175.707 174.600 -0.002 0.000 1.110 281 S CA 0.154 58.353 58.200 -0.001 0.000 1.034 281 S CB 1.506 64.706 63.200 -0.001 0.000 1.010 281 S HN 0.986 nan 8.310 nan 0.000 0.482 282 S N 4.331 120.030 115.700 -0.002 0.000 2.603 282 S HA -0.002 4.459 4.470 -0.016 0.000 0.229 282 S C 1.168 175.767 174.600 -0.002 0.000 0.972 282 S CA 0.465 58.664 58.200 -0.002 0.000 0.935 282 S CB -0.222 62.977 63.200 -0.003 0.000 0.769 282 S HN 0.664 nan 8.310 nan 0.000 0.536 283 L N 0.026 121.249 121.223 -0.002 0.000 2.519 283 L HA 0.568 4.899 4.340 -0.016 0.000 0.194 283 L C 0.436 177.305 176.870 -0.001 0.000 1.072 283 L CA 0.741 55.580 54.840 -0.001 0.000 0.845 283 L CB -0.049 42.009 42.059 -0.001 0.000 1.138 283 L HN 0.220 nan 8.230 nan 0.000 0.487 284 M N 2.946 122.545 119.600 -0.001 0.000 2.261 284 M HA 0.278 4.749 4.480 -0.016 0.000 0.349 284 M C -1.538 174.762 176.300 -0.001 0.000 1.305 284 M CA -1.485 53.814 55.300 -0.001 0.000 1.240 284 M CB 0.935 33.535 32.600 -0.000 0.000 1.394 284 M HN 0.010 nan 8.290 nan 0.000 0.438 285 P HA -0.220 nan 4.420 nan 0.000 0.223 285 P C 0.943 178.243 177.300 0.000 0.000 1.144 285 P CA 1.288 64.387 63.100 -0.001 0.000 0.783 285 P CB 0.014 31.714 31.700 -0.001 0.000 0.771 286 Q N -0.639 119.161 119.800 0.000 0.000 2.398 286 Q HA 0.021 4.351 4.340 -0.016 0.000 0.204 286 Q C 0.510 176.511 176.000 0.002 0.000 0.932 286 Q CA 0.655 56.459 55.803 0.001 0.000 0.916 286 Q CB -0.311 28.428 28.738 0.001 0.000 1.024 286 Q HN 0.036 nan 8.270 nan 0.000 0.504 287 K N 2.271 122.673 120.400 0.002 0.000 2.485 287 K HA 0.055 4.365 4.320 -0.016 0.000 0.277 287 K C -0.231 176.371 176.600 0.004 0.000 0.990 287 K CA 0.283 56.572 56.287 0.003 0.000 0.994 287 K CB 0.464 32.965 32.500 0.002 0.000 0.906 287 K HN 0.099 nan 8.250 nan 0.000 0.488 288 K N 3.163 123.567 120.400 0.007 0.000 2.764 288 K HA 0.218 4.529 4.320 -0.016 0.000 0.239 288 K C -1.200 175.408 176.600 0.014 0.000 1.048 288 K CA -0.274 56.020 56.287 0.011 0.000 1.057 288 K CB 0.276 32.785 32.500 0.014 0.000 1.251 288 K HN 0.386 nan 8.250 nan 0.000 0.524 289 N N 4.255 122.963 118.700 0.013 0.000 2.487 289 N HA 0.357 5.088 4.740 -0.016 0.000 0.292 289 N C -2.436 173.089 175.510 0.024 0.000 1.108 289 N CA -1.765 51.294 53.050 0.013 0.000 0.956 289 N CB 1.531 40.023 38.487 0.008 0.000 1.176 289 N HN 0.413 nan 8.380 nan 0.000 0.484 290 P HA 0.162 nan 4.420 nan 0.000 0.218 290 P C -0.348 176.973 177.300 0.035 0.000 1.793 290 P CA -0.154 62.967 63.100 0.036 0.000 0.941 290 P CB 0.163 31.875 31.700 0.019 0.000 1.919 291 D N 1.005 121.428 120.400 0.039 0.000 2.133 291 D HA -0.194 4.437 4.640 -0.016 0.000 0.192 291 D C 2.211 178.540 176.300 0.048 0.000 1.001 291 D CA 2.200 56.221 54.000 0.035 0.000 0.844 291 D CB -0.602 40.216 40.800 0.030 0.000 0.944 291 D HN 0.307 nan 8.370 nan 0.000 0.447 292 S N 0.379 116.133 115.700 0.089 0.000 2.372 292 S HA -0.207 4.253 4.470 -0.016 0.000 0.227 292 S C 2.241 176.870 174.600 0.049 0.000 1.044 292 S CA 1.040 59.307 58.200 0.113 0.000 1.050 292 S CB -0.908 62.433 63.200 0.234 0.000 0.901 292 S HN 0.291 nan 8.310 nan 0.000 0.447 293 L N 1.376 122.616 121.223 0.028 0.000 2.017 293 L HA -0.091 4.240 4.340 -0.016 0.000 0.208 293 L C 3.031 179.892 176.870 -0.015 0.000 1.073 293 L CA 1.793 56.627 54.840 -0.010 0.000 0.745 293 L CB -0.698 41.349 42.059 -0.020 0.000 0.894 293 L HN 0.399 nan 8.230 nan 0.000 0.432 294 E N 0.242 120.438 120.200 -0.006 0.000 2.051 294 E HA -0.230 4.111 4.350 -0.016 0.000 0.192 294 E C 2.349 178.946 176.600 -0.005 0.000 0.991 294 E CA 1.132 57.526 56.400 -0.011 0.000 0.799 294 E CB -0.209 29.487 29.700 -0.006 0.000 0.748 294 E HN 0.413 nan 8.360 nan 0.000 0.449 295 L N 0.724 121.950 121.223 0.007 0.000 2.042 295 L HA -0.228 4.103 4.340 -0.016 0.000 0.210 295 L C 2.467 179.339 176.870 0.003 0.000 1.076 295 L CA 1.050 55.896 54.840 0.009 0.000 0.749 295 L CB -0.346 41.726 42.059 0.021 0.000 0.893 295 L HN 0.171 nan 8.230 nan 0.000 0.432 296 I N -0.689 119.880 120.570 -0.002 0.000 2.179 296 I HA -0.330 3.830 4.170 -0.016 0.000 0.242 296 I C 2.848 178.953 176.117 -0.020 0.000 1.088 296 I CA 1.271 62.563 61.300 -0.013 0.000 1.357 296 I CB -0.306 37.678 38.000 -0.027 0.000 1.051 296 I HN 0.231 nan 8.210 nan 0.000 0.409 297 R N 0.970 121.454 120.500 -0.026 0.000 2.091 297 R HA -0.199 4.131 4.340 -0.016 0.000 0.238 297 R C 2.509 178.798 176.300 -0.019 0.000 1.136 297 R CA 2.046 58.128 56.100 -0.030 0.000 0.959 297 R CB -0.211 30.067 30.300 -0.036 0.000 0.856 297 R HN 0.478 nan 8.270 nan 0.000 0.437 298 S N 0.240 115.933 115.700 -0.011 0.000 2.419 298 S HA -0.058 4.403 4.470 -0.016 0.000 0.233 298 S C 1.469 176.072 174.600 0.006 0.000 1.016 298 S CA 0.744 58.943 58.200 -0.001 0.000 0.974 298 S CB -0.015 63.186 63.200 0.001 0.000 0.786 298 S HN 0.211 nan 8.310 nan 0.000 0.492 299 K N 1.488 121.889 120.400 0.002 0.000 2.504 299 K HA 0.220 4.530 4.320 -0.016 0.000 0.195 299 K C 2.127 178.732 176.600 0.008 0.000 1.036 299 K CA 0.617 56.908 56.287 0.007 0.000 0.984 299 K CB -0.670 31.832 32.500 0.004 0.000 0.788 299 K HN 0.466 nan 8.250 nan 0.000 0.488 300 S N 0.458 116.160 115.700 0.003 0.000 2.371 300 S HA -0.062 4.399 4.470 -0.016 0.000 0.224 300 S C 1.999 176.634 174.600 0.058 0.000 1.029 300 S CA 1.415 59.616 58.200 0.002 0.000 0.978 300 S CB -0.204 62.979 63.200 -0.029 0.000 0.833 300 S HN 0.472 nan 8.310 nan 0.000 0.466 301 G N 1.476 110.313 108.800 0.062 0.000 2.402 301 G HA2 -0.198 3.753 3.960 -0.016 0.000 0.216 301 G HA3 -0.198 3.753 3.960 -0.016 0.000 0.216 301 G C 1.499 176.467 174.900 0.113 0.000 1.162 301 G CA 0.713 45.891 45.100 0.130 0.000 0.777 301 G HN 0.504 nan 8.290 nan 0.000 0.539 302 R N -0.030 120.502 120.500 0.053 0.000 2.083 302 R HA -0.083 4.248 4.340 -0.016 0.000 0.237 302 R C 2.562 178.872 176.300 0.015 0.000 1.137 302 R CA 1.853 57.967 56.100 0.024 0.000 0.951 302 R CB -0.477 29.832 30.300 0.016 0.000 0.851 302 R HN 0.265 nan 8.270 nan 0.000 0.434 303 V N 0.815 120.745 119.914 0.026 0.000 2.453 303 V HA -0.207 3.903 4.120 -0.016 0.000 0.247 303 V C 2.020 178.129 176.094 0.026 0.000 1.048 303 V CA 1.834 64.135 62.300 0.003 0.000 1.049 303 V CB -0.654 31.154 31.823 -0.025 0.000 0.672 303 V HN 0.381 nan 8.190 nan 0.000 0.457 304 F N 1.911 121.821 119.950 -0.066 0.000 2.126 304 F HA -0.142 4.375 4.527 -0.016 0.000 0.299 304 F C 2.213 177.983 175.800 -0.049 0.000 1.096 304 F CA 1.773 59.735 58.000 -0.063 0.000 1.255 304 F CB -0.589 38.377 39.000 -0.057 0.000 0.997 304 F HN 0.186 nan 8.300 nan 0.000 0.479 305 G N 0.887 109.510 108.800 -0.295 0.000 2.469 305 G HA2 -0.281 3.669 3.960 -0.016 0.000 0.219 305 G HA3 -0.281 3.669 3.960 -0.016 0.000 0.219 305 G C 1.694 176.422 174.900 -0.286 0.000 1.150 305 G CA 0.721 45.597 45.100 -0.373 0.000 0.763 305 G HN 0.223 nan 8.290 nan 0.000 0.561 306 R N -0.238 120.161 120.500 -0.168 0.000 2.075 306 R HA 0.031 4.362 4.340 -0.016 0.000 0.232 306 R C 2.488 178.707 176.300 -0.135 0.000 1.126 306 R CA 0.897 56.927 56.100 -0.117 0.000 0.963 306 R CB -1.260 29.006 30.300 -0.057 0.000 0.858 306 R HN 0.467 nan 8.270 nan 0.000 0.435 307 L N 0.977 122.111 121.223 -0.148 0.000 2.017 307 L HA -0.059 4.272 4.340 -0.016 0.000 0.208 307 L C 2.202 178.972 176.870 -0.167 0.000 1.073 307 L CA 2.127 56.897 54.840 -0.116 0.000 0.745 307 L CB -0.825 41.211 42.059 -0.039 0.000 0.894 307 L HN 0.149 nan 8.230 nan 0.000 0.432 308 A N -0.686 121.936 122.820 -0.331 0.000 1.940 308 A HA -0.234 4.076 4.320 -0.016 0.000 0.219 308 A C 2.484 179.948 177.584 -0.201 0.000 1.176 308 A CA 2.295 54.134 52.037 -0.329 0.000 0.631 308 A CB -1.166 17.474 19.000 -0.599 0.000 0.814 308 A HN 0.708 nan 8.150 nan 0.000 0.446 309 S N 0.017 115.606 115.700 -0.185 0.000 2.355 309 S HA -0.106 4.355 4.470 -0.016 0.000 0.222 309 S C 1.803 176.344 174.600 -0.098 0.000 1.031 309 S CA 1.333 59.458 58.200 -0.126 0.000 0.993 309 S CB -0.553 62.581 63.200 -0.110 0.000 0.859 309 S HN 0.335 nan 8.310 nan 0.000 0.453 310 I N 2.349 122.863 120.570 -0.094 0.000 2.226 310 I HA -0.061 4.100 4.170 -0.016 0.000 0.245 310 I C 2.506 178.577 176.117 -0.076 0.000 1.100 310 I CA 0.871 62.122 61.300 -0.081 0.000 1.374 310 I CB -1.585 36.368 38.000 -0.079 0.000 1.057 310 I HN 0.307 nan 8.210 nan 0.000 0.413 311 L N -0.173 121.006 121.223 -0.074 0.000 2.042 311 L HA -0.257 4.074 4.340 -0.016 0.000 0.210 311 L C 2.721 179.558 176.870 -0.055 0.000 1.076 311 L CA 1.615 56.421 54.840 -0.057 0.000 0.749 311 L CB -0.460 41.572 42.059 -0.046 0.000 0.893 311 L HN 0.253 nan 8.230 nan 0.000 0.432 312 M N -0.879 118.682 119.600 -0.065 0.000 2.175 312 M HA -0.149 4.321 4.480 -0.016 0.000 0.264 312 M C 2.127 178.393 176.300 -0.057 0.000 1.063 312 M CA 1.401 56.666 55.300 -0.058 0.000 1.119 312 M CB 0.072 32.634 32.600 -0.064 0.000 1.377 312 M HN -0.015 nan 8.290 nan 0.000 0.415 313 V N 1.026 120.901 119.914 -0.065 0.000 2.287 313 V HA -0.294 3.816 4.120 -0.016 0.000 0.248 313 V C 2.335 178.388 176.094 -0.067 0.000 1.053 313 V CA 1.893 64.152 62.300 -0.067 0.000 1.027 313 V CB -0.691 31.088 31.823 -0.073 0.000 0.646 313 V HN 0.545 nan 8.190 nan 0.000 0.447 314 L N -0.565 120.619 121.223 -0.064 0.000 2.093 314 L HA -0.048 4.282 4.340 -0.016 0.000 0.208 314 L C 1.581 178.423 176.870 -0.047 0.000 1.085 314 L CA 0.732 55.537 54.840 -0.059 0.000 0.755 314 L CB -0.415 41.612 42.059 -0.054 0.000 0.904 314 L HN 0.187 nan 8.230 nan 0.000 0.435 315 K N 1.398 121.773 120.400 -0.041 0.000 2.491 315 K HA -0.077 4.233 4.320 -0.016 0.000 0.279 315 K C 0.990 177.571 176.600 -0.032 0.000 1.026 315 K CA 1.041 57.308 56.287 -0.032 0.000 1.070 315 K CB 0.257 32.740 32.500 -0.029 0.000 0.887 315 K HN 0.348 nan 8.250 nan 0.000 0.481 316 G N 3.083 111.868 108.800 -0.025 0.000 2.175 316 G HA2 -0.283 3.668 3.960 -0.016 0.000 0.265 316 G HA3 -0.283 3.668 3.960 -0.016 0.000 0.265 316 G C 0.017 174.899 174.900 -0.029 0.000 0.979 316 G CA 0.283 45.369 45.100 -0.024 0.000 0.663 316 G HN 0.491 nan 8.290 nan 0.000 0.533 317 L N 2.380 123.581 121.223 -0.037 0.000 2.416 317 L HA 0.475 4.806 4.340 -0.016 0.000 0.272 317 L C -0.557 176.291 176.870 -0.036 0.000 1.161 317 L CA -1.862 52.950 54.840 -0.046 0.000 0.845 317 L CB 0.371 42.391 42.059 -0.065 0.000 1.119 317 L HN 0.150 nan 8.230 nan 0.000 0.464 318 P HA 0.288 nan 4.420 nan 0.000 0.278 318 P C -0.813 176.476 177.300 -0.018 0.000 1.258 318 P CA -0.623 62.465 63.100 -0.021 0.000 0.811 318 P CB 0.913 32.603 31.700 -0.017 0.000 1.063 319 S N -0.245 115.452 115.700 -0.005 0.000 2.585 319 S HA 0.248 4.709 4.470 -0.016 0.000 0.273 319 S C 1.347 175.956 174.600 0.015 0.000 1.339 319 S CA 0.047 58.251 58.200 0.007 0.000 1.028 319 S CB 0.552 63.760 63.200 0.014 0.000 0.906 319 S HN 0.731 nan 8.310 nan 0.000 0.528 320 T N -0.020 114.555 114.554 0.036 0.000 3.587 320 T HA 0.186 4.526 4.350 -0.016 0.000 0.221 320 T C 0.332 175.074 174.700 0.070 0.000 0.921 320 T CA -0.185 61.948 62.100 0.055 0.000 1.426 320 T CB -0.645 68.268 68.868 0.075 0.000 1.340 320 T HN 0.499 nan 8.240 nan 0.000 0.423 321 Y N 3.174 123.473 120.300 -0.001 0.000 2.346 321 Y HA 0.531 5.071 4.550 -0.016 0.000 0.330 321 Y C -0.703 175.193 175.900 -0.006 0.000 1.178 321 Y CA -0.799 57.300 58.100 -0.003 0.000 1.331 321 Y CB 0.335 38.791 38.460 -0.006 0.000 1.253 321 Y HN 0.454 nan 8.280 nan 0.000 0.529 322 N N 3.752 121.889 118.700 -0.938 0.000 2.264 322 N HA 0.194 4.925 4.740 -0.016 0.000 0.288 322 N C -0.266 174.659 175.510 -0.974 0.000 1.094 322 N CA -0.949 51.716 53.050 -0.643 0.000 0.817 322 N CB 1.762 40.064 38.487 -0.308 0.000 1.604 322 N HN 0.425 nan 8.380 nan 0.000 0.473 323 K N 0.824 120.945 120.400 -0.466 0.000 2.218 323 K HA -0.133 4.178 4.320 -0.016 0.000 0.205 323 K C 0.184 176.671 176.600 -0.189 0.000 1.046 323 K CA 1.563 57.725 56.287 -0.208 0.000 0.933 323 K CB -0.231 32.257 32.500 -0.019 0.000 0.728 323 K HN 0.572 nan 8.250 nan 0.000 0.454 324 D N 0.038 120.313 120.400 -0.207 0.000 2.158 324 D HA -0.189 4.442 4.640 -0.016 0.000 0.197 324 D C 1.522 177.742 176.300 -0.133 0.000 0.995 324 D CA 1.201 55.116 54.000 -0.141 0.000 0.846 324 D CB -0.152 40.569 40.800 -0.132 0.000 0.941 324 D HN 0.213 nan 8.370 nan 0.000 0.456 325 L N 0.631 121.734 121.223 -0.199 0.000 2.261 325 L HA -0.219 4.112 4.340 -0.016 0.000 0.216 325 L C 2.350 179.195 176.870 -0.042 0.000 1.114 325 L CA 1.019 55.782 54.840 -0.128 0.000 0.777 325 L CB -0.806 41.157 42.059 -0.160 0.000 0.910 325 L HN 0.224 nan 8.230 nan 0.000 0.440 326 Q N -0.280 119.509 119.800 -0.019 0.000 2.439 326 Q HA -0.183 4.148 4.340 -0.016 0.000 0.211 326 Q C 1.449 177.445 176.000 -0.006 0.000 0.978 326 Q CA 1.016 56.832 55.803 0.021 0.000 0.897 326 Q CB -0.153 28.607 28.738 0.037 0.000 0.956 326 Q HN 0.415 nan 8.270 nan 0.000 0.483 327 E N 1.721 121.904 120.200 -0.028 0.000 2.418 327 E HA -0.141 4.200 4.350 -0.016 0.000 0.197 327 E C 1.180 177.761 176.600 -0.031 0.000 1.026 327 E CA 1.054 57.434 56.400 -0.033 0.000 0.862 327 E CB 0.056 29.729 29.700 -0.045 0.000 0.799 327 E HN 0.737 nan 8.360 nan 0.000 0.518 328 D N 1.198 121.579 120.400 -0.031 0.000 2.117 328 D HA -0.200 4.430 4.640 -0.016 0.000 0.197 328 D C 1.573 177.867 176.300 -0.009 0.000 0.987 328 D CA 1.041 55.021 54.000 -0.034 0.000 0.829 328 D CB -0.393 40.372 40.800 -0.059 0.000 0.961 328 D HN 0.073 nan 8.370 nan 0.000 0.460 329 K N 0.456 120.850 120.400 -0.010 0.000 2.001 329 K HA -0.190 4.121 4.320 -0.016 0.000 0.214 329 K C 2.381 178.959 176.600 -0.037 0.000 1.050 329 K CA 1.795 58.062 56.287 -0.033 0.000 0.934 329 K CB -0.211 32.257 32.500 -0.053 0.000 0.718 329 K HN 0.242 nan 8.250 nan 0.000 0.443 330 E N 0.044 120.227 120.200 -0.029 0.000 2.110 330 E HA -0.189 4.152 4.350 -0.016 0.000 0.193 330 E C 1.987 178.592 176.600 0.009 0.000 0.988 330 E CA 0.987 57.376 56.400 -0.018 0.000 0.804 330 E CB -0.052 29.636 29.700 -0.019 0.000 0.745 330 E HN 0.377 nan 8.360 nan 0.000 0.458 331 A N 0.497 123.325 122.820 0.012 0.000 1.898 331 A HA -0.121 4.189 4.320 -0.016 0.000 0.216 331 A C 2.431 180.073 177.584 0.096 0.000 1.181 331 A CA 1.013 53.068 52.037 0.030 0.000 0.620 331 A CB -0.502 18.500 19.000 0.004 0.000 0.819 331 A HN 0.121 nan 8.150 nan 0.000 0.442 332 V N 0.249 120.235 119.914 0.121 0.000 2.358 332 V HA -0.250 3.861 4.120 -0.016 0.000 0.246 332 V C 2.418 178.676 176.094 0.273 0.000 1.047 332 V CA 1.965 64.410 62.300 0.242 0.000 1.035 332 V CB -0.657 31.284 31.823 0.196 0.000 0.658 332 V HN 0.556 nan 8.190 nan 0.000 0.452 333 I N 0.405 121.063 120.570 0.146 0.000 2.202 333 I HA -0.236 3.925 4.170 -0.016 0.000 0.242 333 I C 2.421 178.642 176.117 0.173 0.000 1.091 333 I CA 2.050 63.443 61.300 0.156 0.000 1.368 333 I CB -0.459 37.527 38.000 -0.022 0.000 1.058 333 I HN 0.391 nan 8.210 nan 0.000 0.410 334 D N 0.875 121.343 120.400 0.114 0.000 2.104 334 D HA -0.168 4.463 4.640 -0.016 0.000 0.194 334 D C 2.094 178.468 176.300 0.124 0.000 0.994 334 D CA 1.461 55.518 54.000 0.095 0.000 0.830 334 D CB -0.011 40.821 40.800 0.054 0.000 0.959 334 D HN 0.092 nan 8.370 nan 0.000 0.452 335 V N -0.226 119.783 119.914 0.159 0.000 2.515 335 V HA -0.168 3.943 4.120 -0.016 0.000 0.250 335 V C 2.642 178.892 176.094 0.260 0.000 1.058 335 V CA 1.088 63.483 62.300 0.158 0.000 1.064 335 V CB -0.244 31.645 31.823 0.111 0.000 0.675 335 V HN 0.151 nan 8.190 nan 0.000 0.461 336 V N 0.374 120.510 119.914 0.369 0.000 2.237 336 V HA -0.259 3.852 4.120 -0.016 0.000 0.245 336 V C 2.316 178.538 176.094 0.214 0.000 1.046 336 V CA 2.380 64.882 62.300 0.338 0.000 1.007 336 V CB -0.619 31.378 31.823 0.289 0.000 0.638 336 V HN 0.569 nan 8.190 nan 0.000 0.445 337 D N -0.540 119.971 120.400 0.186 0.000 2.144 337 D HA -0.132 4.499 4.640 -0.016 0.000 0.199 337 D C 2.217 178.577 176.300 0.100 0.000 0.984 337 D CA 1.733 55.812 54.000 0.132 0.000 0.834 337 D CB -0.399 40.472 40.800 0.117 0.000 0.955 337 D HN 0.406 nan 8.370 nan 0.000 0.465 338 T N 1.292 115.904 114.554 0.097 0.000 2.701 338 T HA -0.122 4.219 4.350 -0.016 0.000 0.263 338 T C 1.887 176.622 174.700 0.058 0.000 1.040 338 T CA 0.433 62.572 62.100 0.064 0.000 1.147 338 T CB -0.333 68.565 68.868 0.050 0.000 0.865 338 T HN 0.009 nan 8.240 nan 0.000 0.426 339 L N 1.170 122.440 121.223 0.079 0.000 2.046 339 L HA -0.077 4.254 4.340 -0.016 0.000 0.208 339 L C 2.571 179.489 176.870 0.081 0.000 1.077 339 L CA 1.862 56.746 54.840 0.073 0.000 0.747 339 L CB -1.368 40.752 42.059 0.101 0.000 0.896 339 L HN 0.242 nan 8.230 nan 0.000 0.432 340 T N -0.356 114.263 114.554 0.109 0.000 2.720 340 T HA -0.192 4.149 4.350 -0.016 0.000 0.268 340 T C 1.855 176.550 174.700 -0.008 0.000 1.037 340 T CA 1.476 63.642 62.100 0.110 0.000 1.144 340 T CB -0.463 68.490 68.868 0.140 0.000 0.864 340 T HN 0.505 nan 8.240 nan 0.000 0.444 341 A N 0.687 123.510 122.820 0.006 0.000 1.897 341 A HA 0.043 4.354 4.320 -0.016 0.000 0.215 341 A C 2.586 180.156 177.584 -0.024 0.000 1.181 341 A CA 0.937 52.963 52.037 -0.020 0.000 0.620 341 A CB -0.931 18.076 19.000 0.013 0.000 0.821 341 A HN 0.325 nan 8.150 nan 0.000 0.443 342 V N 0.342 120.253 119.914 -0.004 0.000 2.332 342 V HA -0.280 3.831 4.120 -0.016 0.000 0.248 342 V C 2.590 178.666 176.094 -0.030 0.000 1.055 342 V CA 2.053 64.348 62.300 -0.009 0.000 1.038 342 V CB -0.725 31.097 31.823 -0.002 0.000 0.651 342 V HN 0.574 nan 8.190 nan 0.000 0.450 343 L N -0.772 120.432 121.223 -0.032 0.000 2.046 343 L HA -0.267 4.064 4.340 -0.016 0.000 0.208 343 L C 2.654 179.470 176.870 -0.089 0.000 1.077 343 L CA 1.783 56.599 54.840 -0.039 0.000 0.747 343 L CB -0.569 41.500 42.059 0.016 0.000 0.896 343 L HN 0.375 nan 8.230 nan 0.000 0.432 344 Q N -0.868 118.833 119.800 -0.166 0.000 2.119 344 Q HA -0.149 4.182 4.340 -0.016 0.000 0.201 344 Q C 2.345 178.310 176.000 -0.058 0.000 0.972 344 Q CA 1.216 56.921 55.803 -0.164 0.000 0.847 344 Q CB -0.072 28.517 28.738 -0.248 0.000 0.903 344 Q HN 0.339 nan 8.270 nan 0.000 0.433 345 V N 0.900 120.800 119.914 -0.023 0.000 2.343 345 V HA -0.275 3.836 4.120 -0.016 0.000 0.247 345 V C 2.240 178.254 176.094 -0.132 0.000 1.051 345 V CA 1.828 64.148 62.300 0.033 0.000 1.036 345 V CB -0.913 30.954 31.823 0.074 0.000 0.654 345 V HN 0.398 nan 8.190 nan 0.000 0.451 346 A N -0.445 122.306 122.820 -0.115 0.000 1.933 346 A HA -0.222 4.088 4.320 -0.016 0.000 0.218 346 A C 2.398 179.873 177.584 -0.181 0.000 1.175 346 A CA 2.463 54.410 52.037 -0.148 0.000 0.628 346 A CB -0.939 18.001 19.000 -0.100 0.000 0.814 346 A HN 0.493 nan 8.150 nan 0.000 0.444 347 T N -0.291 114.181 114.554 -0.137 0.000 2.708 347 T HA -0.055 4.285 4.350 -0.016 0.000 0.266 347 T C 1.962 176.559 174.700 -0.171 0.000 1.037 347 T CA 1.552 63.586 62.100 -0.110 0.000 1.146 347 T CB -0.606 68.231 68.868 -0.051 0.000 0.865 347 T HN 0.589 nan 8.240 nan 0.000 0.435 348 G N 0.828 109.475 108.800 -0.255 0.000 2.402 348 G HA2 -0.150 3.801 3.960 -0.016 0.000 0.216 348 G HA3 -0.150 3.801 3.960 -0.016 0.000 0.216 348 G C 1.712 176.056 174.900 -0.926 0.000 1.162 348 G CA 0.762 45.616 45.100 -0.410 0.000 0.777 348 G HN 0.421 nan 8.290 nan 0.000 0.539 349 V N 1.523 120.790 119.914 -1.078 0.000 2.255 349 V HA -0.163 3.948 4.120 -0.016 0.000 0.247 349 V C 2.783 178.701 176.094 -0.294 0.000 1.051 349 V CA 1.307 63.153 62.300 -0.757 0.000 1.018 349 V CB -0.326 31.233 31.823 -0.441 0.000 0.641 349 V HN 0.268 nan 8.190 nan 0.000 0.445 350 I N -0.104 120.350 120.570 -0.193 0.000 2.315 350 I HA -0.168 3.993 4.170 -0.016 0.000 0.248 350 I C 2.687 178.798 176.117 -0.009 0.000 1.117 350 I CA 1.881 63.151 61.300 -0.051 0.000 1.404 350 I CB -1.294 36.673 38.000 -0.054 0.000 1.071 350 I HN 0.374 nan 8.210 nan 0.000 0.419 351 S N 0.605 116.273 115.700 -0.054 0.000 2.355 351 S HA -0.145 4.315 4.470 -0.016 0.000 0.222 351 S C 1.975 176.596 174.600 0.035 0.000 1.031 351 S CA 2.226 60.426 58.200 0.000 0.000 0.993 351 S CB -0.246 62.951 63.200 -0.004 0.000 0.859 351 S HN 0.634 nan 8.310 nan 0.000 0.453 352 T N 0.459 115.026 114.554 0.022 0.000 3.060 352 T HA 0.321 4.661 4.350 -0.016 0.000 0.249 352 T C 0.581 175.339 174.700 0.096 0.000 1.079 352 T CA -0.144 62.011 62.100 0.092 0.000 1.013 352 T CB -0.671 68.319 68.868 0.202 0.000 0.975 352 T HN 0.360 nan 8.240 nan 0.000 0.518 353 L N 1.395 122.663 121.223 0.074 0.000 2.467 353 L HA 0.468 4.798 4.340 -0.016 0.000 0.270 353 L C -0.088 176.838 176.870 0.094 0.000 1.205 353 L CA -0.518 54.380 54.840 0.097 0.000 0.828 353 L CB 0.178 42.307 42.059 0.116 0.000 1.101 353 L HN 0.168 nan 8.230 nan 0.000 0.479 354 Q N 3.696 123.538 119.800 0.070 0.000 2.340 354 Q HA 0.595 4.925 4.340 -0.016 0.000 0.268 354 Q C -0.647 175.347 176.000 -0.011 0.000 1.031 354 Q CA -0.712 55.111 55.803 0.035 0.000 0.804 354 Q CB 2.205 30.961 28.738 0.029 0.000 1.286 354 Q HN 0.886 nan 8.270 nan 0.000 0.448 355 I N -1.123 119.398 120.570 -0.081 0.000 2.664 355 I HA 0.570 4.730 4.170 -0.016 0.000 0.308 355 I C -0.065 175.951 176.117 -0.168 0.000 0.984 355 I CA -0.757 60.416 61.300 -0.213 0.000 1.213 355 I CB 1.949 39.641 38.000 -0.512 0.000 1.379 355 I HN 0.543 nan 8.210 nan 0.000 0.501 356 S N 3.015 118.612 115.700 -0.171 0.000 2.488 356 S HA 0.329 4.790 4.470 -0.016 0.000 0.310 356 S C 0.732 175.227 174.600 -0.174 0.000 1.093 356 S CA -0.757 57.372 58.200 -0.118 0.000 1.129 356 S CB 0.405 63.576 63.200 -0.048 0.000 0.989 356 S HN 0.779 nan 8.310 nan 0.000 0.479 357 K N 2.786 123.084 120.400 -0.170 0.000 2.113 357 K HA -0.188 4.123 4.320 -0.016 0.000 0.208 357 K C 1.877 178.388 176.600 -0.148 0.000 1.047 357 K CA 1.687 57.868 56.287 -0.177 0.000 0.928 357 K CB -0.048 32.380 32.500 -0.120 0.000 0.716 357 K HN 0.773 nan 8.250 nan 0.000 0.446 358 E N 1.115 121.253 120.200 -0.103 0.000 2.038 358 E HA -0.218 4.123 4.350 -0.016 0.000 0.195 358 E C 1.730 178.281 176.600 -0.082 0.000 1.000 358 E CA 1.304 57.657 56.400 -0.079 0.000 0.803 358 E CB 0.087 29.757 29.700 -0.051 0.000 0.750 358 E HN 0.242 nan 8.360 nan 0.000 0.448 359 N N 0.159 118.824 118.700 -0.058 0.000 2.188 359 N HA -0.127 4.604 4.740 -0.016 0.000 0.184 359 N C 1.891 177.364 175.510 -0.062 0.000 1.018 359 N CA 1.236 54.285 53.050 -0.001 0.000 0.858 359 N CB -0.241 38.303 38.487 0.095 0.000 0.989 359 N HN 0.297 nan 8.380 nan 0.000 0.426 360 M N 0.334 119.791 119.600 -0.239 0.000 2.159 360 M HA -0.159 4.312 4.480 -0.016 0.000 0.263 360 M C 2.037 178.108 176.300 -0.381 0.000 1.063 360 M CA 1.341 56.323 55.300 -0.530 0.000 1.110 360 M CB -0.168 32.071 32.600 -0.601 0.000 1.374 360 M HN 0.038 nan 8.290 nan 0.000 0.411 361 E N 0.833 120.876 120.200 -0.262 0.000 2.046 361 E HA -0.159 4.181 4.350 -0.016 0.000 0.190 361 E C 1.861 178.320 176.600 -0.236 0.000 0.982 361 E CA 1.406 57.661 56.400 -0.242 0.000 0.800 361 E CB -0.019 29.585 29.700 -0.159 0.000 0.756 361 E HN 0.250 nan 8.360 nan 0.000 0.449 362 K N -0.394 119.913 120.400 -0.155 0.000 2.103 362 K HA -0.133 4.178 4.320 -0.016 0.000 0.207 362 K C 1.949 178.474 176.600 -0.124 0.000 1.048 362 K CA 1.137 57.356 56.287 -0.112 0.000 0.930 362 K CB -0.243 32.221 32.500 -0.061 0.000 0.716 362 K HN 0.220 nan 8.250 nan 0.000 0.444 363 A N 1.027 123.775 122.820 -0.121 0.000 2.070 363 A HA -0.048 4.263 4.320 -0.016 0.000 0.220 363 A C 0.842 178.307 177.584 -0.198 0.000 1.159 363 A CA 0.615 52.601 52.037 -0.085 0.000 0.656 363 A CB -0.416 18.601 19.000 0.029 0.000 0.800 363 A HN 0.241 nan 8.150 nan 0.000 0.453 364 L N 2.491 123.489 121.223 -0.375 0.000 2.565 364 L HA 0.104 4.435 4.340 -0.016 0.000 0.275 364 L C 0.030 176.674 176.870 -0.375 0.000 1.137 364 L CA -0.172 54.271 54.840 -0.662 0.000 0.915 364 L CB -0.241 40.964 42.059 -1.424 0.000 1.232 364 L HN 0.315 nan 8.230 nan 0.000 0.473 365 T N 0.526 115.041 114.554 -0.065 0.000 2.855 365 T HA 0.338 4.679 4.350 -0.016 0.000 0.281 365 T C -1.948 172.954 174.700 0.338 0.000 1.007 365 T CA -2.081 60.097 62.100 0.129 0.000 1.009 365 T CB 2.001 70.893 68.868 0.040 0.000 0.983 365 T HN 0.177 nan 8.240 nan 0.000 0.455 366 P HA -0.243 nan 4.420 nan 0.000 0.216 366 P C 1.825 179.226 177.300 0.169 0.000 1.154 366 P CA 1.182 64.411 63.100 0.214 0.000 0.865 366 P CB 0.102 31.837 31.700 0.058 0.000 0.789 367 E N 0.067 120.334 120.200 0.112 0.000 2.273 367 E HA -0.208 4.133 4.350 -0.016 0.000 0.198 367 E C 1.615 178.273 176.600 0.097 0.000 1.002 367 E CA 1.390 57.840 56.400 0.084 0.000 0.828 367 E CB -1.278 28.451 29.700 0.048 0.000 0.747 367 E HN 0.331 nan 8.360 nan 0.000 0.491 368 M N 0.215 119.894 119.600 0.131 0.000 2.549 368 M HA 0.021 4.491 4.480 -0.016 0.000 0.260 368 M C 1.615 177.995 176.300 0.134 0.000 1.076 368 M CA 0.836 56.214 55.300 0.130 0.000 1.090 368 M CB -0.060 32.636 32.600 0.159 0.000 1.418 368 M HN 0.052 nan 8.290 nan 0.000 0.486 369 L N -1.034 120.258 121.223 0.115 0.000 2.667 369 L HA 0.223 4.554 4.340 -0.016 0.000 0.232 369 L C 2.359 179.246 176.870 0.029 0.000 1.138 369 L CA -0.380 54.485 54.840 0.043 0.000 0.921 369 L CB -0.464 41.560 42.059 -0.058 0.000 1.180 369 L HN 0.177 nan 8.230 nan 0.000 0.487 370 A N 0.377 123.232 122.820 0.059 0.000 1.978 370 A HA -0.187 4.124 4.320 -0.016 0.000 0.220 370 A C 2.322 179.926 177.584 0.033 0.000 1.170 370 A CA 2.377 54.437 52.037 0.037 0.000 0.636 370 A CB -0.593 18.419 19.000 0.020 0.000 0.810 370 A HN 0.374 nan 8.150 nan 0.000 0.448 371 T N 0.253 114.851 114.554 0.073 0.000 2.737 371 T HA -0.120 4.221 4.350 -0.016 0.000 0.265 371 T C 1.491 176.256 174.700 0.109 0.000 1.038 371 T CA 1.378 63.552 62.100 0.124 0.000 1.144 371 T CB -0.430 68.552 68.868 0.189 0.000 0.866 371 T HN 0.473 nan 8.240 nan 0.000 0.434 372 D N 1.075 121.517 120.400 0.072 0.000 2.149 372 D HA -0.063 4.567 4.640 -0.016 0.000 0.198 372 D C 2.030 178.342 176.300 0.020 0.000 0.990 372 D CA 0.611 54.628 54.000 0.027 0.000 0.839 372 D CB -0.443 40.332 40.800 -0.042 0.000 0.948 372 D HN 0.163 nan 8.370 nan 0.000 0.460 373 L N 0.784 121.999 121.223 -0.014 0.000 2.083 373 L HA -0.089 4.242 4.340 -0.016 0.000 0.209 373 L C 2.134 179.096 176.870 0.154 0.000 1.083 373 L CA 1.608 56.463 54.840 0.025 0.000 0.752 373 L CB -0.574 41.488 42.059 0.006 0.000 0.899 373 L HN -0.030 nan 8.230 nan 0.000 0.433 374 A N -1.122 121.748 122.820 0.083 0.000 1.929 374 A HA -0.140 4.171 4.320 -0.016 0.000 0.216 374 A C 2.172 179.791 177.584 0.059 0.000 1.176 374 A CA 1.541 53.595 52.037 0.028 0.000 0.628 374 A CB -0.835 18.110 19.000 -0.093 0.000 0.816 374 A HN 0.416 nan 8.150 nan 0.000 0.444 375 L N -1.294 119.996 121.223 0.111 0.000 2.083 375 L HA -0.131 4.199 4.340 -0.016 0.000 0.209 375 L C 2.265 179.181 176.870 0.076 0.000 1.083 375 L CA 2.197 57.106 54.840 0.115 0.000 0.752 375 L CB -0.996 41.128 42.059 0.108 0.000 0.899 375 L HN 0.573 nan 8.230 nan 0.000 0.433 376 Y N -0.376 119.912 120.300 -0.021 0.000 2.151 376 Y HA -0.263 4.277 4.550 -0.016 0.000 0.284 376 Y C 2.070 177.935 175.900 -0.058 0.000 1.166 376 Y CA 2.041 60.120 58.100 -0.034 0.000 1.163 376 Y CB -0.294 38.157 38.460 -0.015 0.000 0.974 376 Y HN 0.212 nan 8.280 nan 0.000 0.511 377 L N -1.189 119.994 121.223 -0.065 0.000 2.240 377 L HA -0.123 4.208 4.340 -0.016 0.000 0.211 377 L C 2.267 179.027 176.870 -0.184 0.000 1.106 377 L CA 0.456 55.157 54.840 -0.232 0.000 0.793 377 L CB -0.471 41.474 42.059 -0.191 0.000 0.927 377 L HN 0.121 nan 8.230 nan 0.000 0.446 378 V N -0.239 119.623 119.914 -0.085 0.000 2.427 378 V HA -0.178 3.933 4.120 -0.016 0.000 0.248 378 V C 2.611 178.660 176.094 -0.075 0.000 1.051 378 V CA 1.358 63.640 62.300 -0.031 0.000 1.048 378 V CB -0.552 31.316 31.823 0.076 0.000 0.666 378 V HN 0.420 nan 8.190 nan 0.000 0.456 379 R N 0.388 120.814 120.500 -0.122 0.000 2.148 379 R HA -0.041 4.290 4.340 -0.016 0.000 0.227 379 R C 1.802 177.995 176.300 -0.177 0.000 1.103 379 R CA 0.707 56.724 56.100 -0.138 0.000 0.983 379 R CB -0.335 29.870 30.300 -0.157 0.000 0.874 379 R HN 0.404 nan 8.270 nan 0.000 0.451 380 K N -0.329 119.920 120.400 -0.252 0.000 2.444 380 K HA 0.121 4.432 4.320 -0.016 0.000 0.193 380 K C 1.081 177.586 176.600 -0.157 0.000 1.024 380 K CA 0.672 56.816 56.287 -0.239 0.000 1.077 380 K CB 0.635 32.929 32.500 -0.344 0.000 0.833 380 K HN 0.418 nan 8.250 nan 0.000 0.517 381 G N 1.375 110.103 108.800 -0.121 0.000 2.259 381 G HA2 -0.269 3.681 3.960 -0.016 0.000 0.217 381 G HA3 -0.269 3.681 3.960 -0.016 0.000 0.217 381 G C 0.219 175.078 174.900 -0.068 0.000 1.001 381 G CA 0.080 45.131 45.100 -0.081 0.000 0.627 381 G HN 0.346 nan 8.290 nan 0.000 0.501 382 M N 2.803 122.348 119.600 -0.092 0.000 2.252 382 M HA 0.408 4.878 4.480 -0.016 0.000 0.348 382 M C -2.073 174.208 176.300 -0.032 0.000 1.334 382 M CA -1.103 54.153 55.300 -0.074 0.000 1.071 382 M CB 0.502 33.033 32.600 -0.114 0.000 1.763 382 M HN 0.014 nan 8.290 nan 0.000 0.452 383 P HA -0.041 nan 4.420 nan 0.000 0.265 383 P C -0.110 177.231 177.300 0.069 0.000 1.193 383 P CA 0.117 63.242 63.100 0.043 0.000 0.765 383 P CB 0.231 31.951 31.700 0.033 0.000 0.823 384 F N 4.427 124.377 119.950 0.001 0.000 2.085 384 F HA -0.343 4.175 4.527 -0.015 0.000 0.299 384 F C 2.098 177.929 175.800 0.052 0.000 1.096 384 F CA 1.783 59.799 58.000 0.026 0.000 1.227 384 F CB -0.042 38.968 39.000 0.017 0.000 0.983 384 F HN 0.224 nan 8.300 nan 0.000 0.482 385 R N 0.488 121.050 120.500 0.103 0.000 2.094 385 R HA -0.212 4.118 4.340 -0.016 0.000 0.239 385 R C 2.151 178.425 176.300 -0.044 0.000 1.137 385 R CA 2.235 58.346 56.100 0.019 0.000 0.943 385 R CB -1.277 29.067 30.300 0.073 0.000 0.850 385 R HN 0.542 nan 8.270 nan 0.000 0.433 386 Q N -0.102 119.680 119.800 -0.031 0.000 2.119 386 Q HA -0.012 4.319 4.340 -0.016 0.000 0.201 386 Q C 2.178 178.138 176.000 -0.067 0.000 0.972 386 Q CA 1.366 57.149 55.803 -0.034 0.000 0.847 386 Q CB -0.220 28.501 28.738 -0.028 0.000 0.903 386 Q HN 0.346 nan 8.270 nan 0.000 0.433 387 A N 1.013 123.762 122.820 -0.118 0.000 1.902 387 A HA -0.268 4.043 4.320 -0.016 0.000 0.217 387 A C 1.838 179.328 177.584 -0.158 0.000 1.181 387 A CA 1.922 53.874 52.037 -0.142 0.000 0.623 387 A CB -0.856 18.048 19.000 -0.161 0.000 0.818 387 A HN 0.477 nan 8.150 nan 0.000 0.443 388 H N -0.136 118.693 119.070 -0.402 0.000 2.319 388 H HA -0.110 4.437 4.556 -0.016 0.000 0.299 388 H C 2.146 177.388 175.328 -0.143 0.000 1.092 388 H CA 2.501 58.332 56.048 -0.361 0.000 1.302 388 H CB -0.263 29.205 29.762 -0.491 0.000 1.373 388 H HN 0.406 nan 8.280 nan 0.000 0.497 389 T N 0.168 114.727 114.554 0.007 0.000 2.788 389 T HA -0.134 4.207 4.350 -0.016 0.000 0.268 389 T C 2.222 176.913 174.700 -0.015 0.000 1.044 389 T CA 1.176 63.280 62.100 0.007 0.000 1.139 389 T CB -0.633 68.252 68.868 0.027 0.000 0.867 389 T HN 0.550 nan 8.240 nan 0.000 0.454 390 A N 1.106 123.925 122.820 -0.002 0.000 1.877 390 A HA -0.077 4.233 4.320 -0.016 0.000 0.216 390 A C 2.587 180.233 177.584 0.103 0.000 1.186 390 A CA 2.013 54.091 52.037 0.069 0.000 0.620 390 A CB -1.145 17.898 19.000 0.071 0.000 0.822 390 A HN 0.433 nan 8.150 nan 0.000 0.443 391 S N -0.569 115.159 115.700 0.047 0.000 2.370 391 S HA -0.079 4.382 4.470 -0.016 0.000 0.226 391 S C 2.070 176.658 174.600 -0.020 0.000 1.033 391 S CA 1.834 60.056 58.200 0.036 0.000 1.011 391 S CB -0.786 62.387 63.200 -0.045 0.000 0.852 391 S HN 0.737 nan 8.310 nan 0.000 0.457 392 G N 1.211 109.953 108.800 -0.096 0.000 2.469 392 G HA2 -0.240 3.710 3.960 -0.016 0.000 0.219 392 G HA3 -0.240 3.710 3.960 -0.016 0.000 0.219 392 G C 1.519 176.427 174.900 0.014 0.000 1.150 392 G CA 0.977 46.036 45.100 -0.068 0.000 0.763 392 G HN 0.574 nan 8.290 nan 0.000 0.561 393 K N 0.574 120.987 120.400 0.021 0.000 2.148 393 K HA 0.127 4.438 4.320 -0.016 0.000 0.204 393 K C 2.935 179.573 176.600 0.063 0.000 1.050 393 K CA 0.787 57.098 56.287 0.040 0.000 0.942 393 K CB -0.170 32.348 32.500 0.030 0.000 0.724 393 K HN 0.280 nan 8.250 nan 0.000 0.446 394 A N 1.509 124.358 122.820 0.048 0.000 1.902 394 A HA -0.146 4.165 4.320 -0.016 0.000 0.217 394 A C 2.423 180.012 177.584 0.009 0.000 1.181 394 A CA 1.895 53.936 52.037 0.007 0.000 0.623 394 A CB -0.853 18.134 19.000 -0.021 0.000 0.818 394 A HN 0.215 nan 8.150 nan 0.000 0.443 395 V N -2.993 116.937 119.914 0.028 0.000 2.453 395 V HA -0.213 3.898 4.120 -0.016 0.000 0.247 395 V C 2.307 178.419 176.094 0.030 0.000 1.048 395 V CA 2.453 64.765 62.300 0.019 0.000 1.049 395 V CB -1.168 30.667 31.823 0.021 0.000 0.672 395 V HN 0.708 nan 8.190 nan 0.000 0.457 396 H N 0.248 119.306 119.070 -0.020 0.000 2.389 396 H HA -0.061 4.486 4.556 -0.016 0.000 0.299 396 H C 2.148 177.464 175.328 -0.021 0.000 1.081 396 H CA 2.208 58.246 56.048 -0.016 0.000 1.345 396 H CB 0.137 29.893 29.762 -0.010 0.000 1.393 396 H HN 0.492 nan 8.280 nan 0.000 0.520 397 L N 1.076 122.393 121.223 0.156 0.000 2.083 397 L HA -0.063 4.268 4.340 -0.016 0.000 0.209 397 L C 2.571 179.439 176.870 -0.002 0.000 1.083 397 L CA 1.928 56.819 54.840 0.085 0.000 0.752 397 L CB -1.004 41.080 42.059 0.041 0.000 0.899 397 L HN 0.272 nan 8.230 nan 0.000 0.433 398 A N 0.181 122.981 122.820 -0.033 0.000 1.841 398 A HA -0.231 4.080 4.320 -0.016 0.000 0.214 398 A C 2.111 179.647 177.584 -0.080 0.000 1.195 398 A CA 1.644 53.641 52.037 -0.067 0.000 0.611 398 A CB -0.876 18.077 19.000 -0.077 0.000 0.835 398 A HN 0.695 nan 8.150 nan 0.000 0.443 399 E N 0.131 120.270 120.200 -0.102 0.000 2.033 399 E HA -0.251 4.089 4.350 -0.016 0.000 0.199 399 E C 1.778 178.299 176.600 -0.132 0.000 1.011 399 E CA 1.985 58.309 56.400 -0.126 0.000 0.815 399 E CB -1.323 28.276 29.700 -0.168 0.000 0.755 399 E HN 0.608 nan 8.360 nan 0.000 0.451 400 T N -1.203 113.247 114.554 -0.174 0.000 3.077 400 T HA -0.107 4.234 4.350 -0.016 0.000 0.269 400 T C 1.567 176.232 174.700 -0.059 0.000 1.146 400 T CA 1.411 63.440 62.100 -0.118 0.000 1.091 400 T CB -0.114 68.707 68.868 -0.079 0.000 0.892 400 T HN 0.179 nan 8.240 nan 0.000 0.533 401 K N -0.167 120.197 120.400 -0.059 0.000 2.387 401 K HA 0.384 4.695 4.320 -0.016 0.000 0.203 401 K C 1.659 178.228 176.600 -0.052 0.000 1.030 401 K CA 0.429 56.688 56.287 -0.046 0.000 1.099 401 K CB -0.188 32.286 32.500 -0.043 0.000 0.863 401 K HN 0.423 nan 8.250 nan 0.000 0.529 402 G N 1.566 110.331 108.800 -0.059 0.000 2.417 402 G HA2 -0.323 3.628 3.960 -0.016 0.000 0.233 402 G HA3 -0.323 3.628 3.960 -0.016 0.000 0.233 402 G C 0.369 175.233 174.900 -0.061 0.000 1.103 402 G CA 0.607 45.673 45.100 -0.055 0.000 0.647 402 G HN 0.424 nan 8.290 nan 0.000 0.512 403 I N -0.614 119.915 120.570 -0.069 0.000 3.223 403 I HA 0.827 4.988 4.170 -0.016 0.000 0.317 403 I C 0.556 176.617 176.117 -0.092 0.000 1.050 403 I CA -0.697 60.553 61.300 -0.082 0.000 1.069 403 I CB 1.402 39.345 38.000 -0.094 0.000 1.406 403 I HN 0.612 nan 8.210 nan 0.000 0.596 404 A N 1.412 124.165 122.820 -0.113 0.000 2.320 404 A HA 0.523 4.833 4.320 -0.016 0.000 0.334 404 A C 0.957 178.429 177.584 -0.188 0.000 1.147 404 A CA -0.796 51.169 52.037 -0.120 0.000 0.820 404 A CB 0.786 19.726 19.000 -0.099 0.000 1.218 404 A HN 0.948 nan 8.150 nan 0.000 0.482 405 I N -0.304 120.167 120.570 -0.166 0.000 2.462 405 I HA -0.321 3.840 4.170 -0.016 0.000 0.259 405 I C 1.564 177.337 176.117 -0.572 0.000 1.156 405 I CA 2.405 63.575 61.300 -0.216 0.000 1.417 405 I CB -0.526 37.453 38.000 -0.036 0.000 1.088 405 I HN 0.860 nan 8.210 nan 0.000 0.442 406 N N 1.625 119.918 118.700 -0.679 0.000 2.166 406 N HA -0.182 4.548 4.740 -0.016 0.000 0.186 406 N C 1.413 176.501 175.510 -0.703 0.000 1.019 406 N CA 1.384 53.800 53.050 -1.058 0.000 0.856 406 N CB -0.012 38.153 38.487 -0.537 0.000 0.993 406 N HN 0.514 nan 8.380 nan 0.000 0.426 407 N N 0.522 118.980 118.700 -0.405 0.000 2.353 407 N HA 0.067 4.797 4.740 -0.016 0.000 0.185 407 N C -0.122 175.254 175.510 -0.224 0.000 1.098 407 N CA -0.006 52.885 53.050 -0.266 0.000 0.872 407 N CB 0.462 38.843 38.487 -0.177 0.000 0.970 407 N HN 0.242 nan 8.380 nan 0.000 0.467 408 L N 2.297 123.369 121.223 -0.251 0.000 2.578 408 L HA -0.032 4.298 4.340 -0.016 0.000 0.279 408 L C 1.312 178.084 176.870 -0.163 0.000 1.227 408 L CA 0.104 54.832 54.840 -0.187 0.000 0.900 408 L CB -0.091 41.850 42.059 -0.198 0.000 1.144 408 L HN 0.137 nan 8.230 nan 0.000 0.496 409 T N 0.337 114.823 114.554 -0.114 0.000 2.856 409 T HA 0.067 4.407 4.350 -0.016 0.000 0.306 409 T C 0.998 175.649 174.700 -0.081 0.000 1.062 409 T CA -0.721 61.329 62.100 -0.084 0.000 1.083 409 T CB 1.027 69.861 68.868 -0.056 0.000 0.984 409 T HN 0.506 nan 8.240 nan 0.000 0.542 410 L N 1.191 122.383 121.223 -0.052 0.000 2.079 410 L HA -0.041 4.290 4.340 -0.016 0.000 0.210 410 L C 2.575 179.439 176.870 -0.010 0.000 1.081 410 L CA 1.799 56.622 54.840 -0.029 0.000 0.752 410 L CB -0.992 41.071 42.059 0.007 0.000 0.896 410 L HN 0.873 nan 8.230 nan 0.000 0.433 411 E N -0.551 119.644 120.200 -0.010 0.000 2.051 411 E HA -0.229 4.112 4.350 -0.016 0.000 0.192 411 E C 1.789 178.388 176.600 -0.002 0.000 0.991 411 E CA 1.393 57.795 56.400 0.004 0.000 0.799 411 E CB -0.327 29.372 29.700 -0.001 0.000 0.748 411 E HN 0.608 nan 8.360 nan 0.000 0.449 412 D N 1.131 121.513 120.400 -0.030 0.000 2.116 412 D HA -0.177 4.454 4.640 -0.016 0.000 0.193 412 D C 2.207 178.480 176.300 -0.045 0.000 0.998 412 D CA 1.023 54.999 54.000 -0.039 0.000 0.836 412 D CB -0.301 40.459 40.800 -0.067 0.000 0.951 412 D HN 0.194 nan 8.370 nan 0.000 0.449 413 L N 0.666 121.824 121.223 -0.110 0.000 2.083 413 L HA -0.140 4.191 4.340 -0.016 0.000 0.209 413 L C 2.434 179.390 176.870 0.144 0.000 1.083 413 L CA 0.897 55.613 54.840 -0.206 0.000 0.752 413 L CB -0.407 41.319 42.059 -0.555 0.000 0.899 413 L HN -0.087 nan 8.230 nan 0.000 0.433 414 K N 0.333 120.812 120.400 0.132 0.000 2.152 414 K HA -0.148 4.162 4.320 -0.016 0.000 0.206 414 K C 2.371 179.052 176.600 0.136 0.000 1.048 414 K CA 1.706 58.095 56.287 0.171 0.000 0.933 414 K CB -0.496 32.065 32.500 0.101 0.000 0.721 414 K HN 0.429 nan 8.250 nan 0.000 0.447 415 S N 0.589 116.343 115.700 0.090 0.000 2.419 415 S HA -0.082 4.378 4.470 -0.016 0.000 0.233 415 S C 2.031 176.685 174.600 0.089 0.000 1.016 415 S CA 0.820 59.060 58.200 0.067 0.000 0.974 415 S CB -0.278 62.945 63.200 0.038 0.000 0.786 415 S HN 0.249 nan 8.310 nan 0.000 0.492 416 I N 0.240 120.896 120.570 0.144 0.000 2.585 416 I HA 0.178 4.339 4.170 -0.016 0.000 0.254 416 I C 0.985 177.214 176.117 0.186 0.000 1.129 416 I CA 0.481 61.886 61.300 0.175 0.000 1.455 416 I CB 0.352 38.495 38.000 0.238 0.000 1.111 416 I HN 0.357 nan 8.210 nan 0.000 0.433 417 S N -0.254 115.597 115.700 0.251 0.000 2.563 417 S HA 0.287 4.748 4.470 -0.016 0.000 0.279 417 S C -2.279 172.383 174.600 0.104 0.000 1.155 417 S CA -0.978 57.273 58.200 0.086 0.000 0.928 417 S CB 1.655 64.771 63.200 -0.140 0.000 1.107 417 S HN -0.153 nan 8.310 nan 0.000 0.462 418 P HA 0.016 nan 4.420 nan 0.000 0.230 418 P C 1.356 178.671 177.300 0.025 0.000 1.158 418 P CA 0.292 63.420 63.100 0.047 0.000 0.769 418 P CB 0.075 31.786 31.700 0.019 0.000 0.807 419 L N -1.550 119.631 121.223 -0.070 0.000 2.291 419 L HA 0.020 4.351 4.340 -0.016 0.000 0.214 419 L C 1.021 177.888 176.870 -0.005 0.000 1.120 419 L CA 0.780 55.551 54.840 -0.116 0.000 0.799 419 L CB -1.525 40.380 42.059 -0.256 0.000 0.925 419 L HN -0.088 nan 8.230 nan 0.000 0.446 420 F N 0.484 120.529 119.950 0.158 0.000 2.519 420 F HA 0.086 4.603 4.527 -0.016 0.000 0.375 420 F C 1.208 177.099 175.800 0.153 0.000 1.084 420 F CA 0.202 58.333 58.000 0.218 0.000 1.147 420 F CB 0.046 39.114 39.000 0.113 0.000 1.088 420 F HN -0.130 nan 8.300 nan 0.000 0.555 421 S N 0.600 116.545 115.700 0.408 0.000 2.768 421 S HA 0.243 4.704 4.470 -0.016 0.000 0.300 421 S C 1.052 175.758 174.600 0.178 0.000 1.122 421 S CA -0.253 58.090 58.200 0.238 0.000 0.995 421 S CB 1.460 64.781 63.200 0.202 0.000 1.195 421 S HN 0.604 nan 8.310 nan 0.000 0.547 422 S N 0.891 116.659 115.700 0.113 0.000 2.515 422 S HA -0.103 4.358 4.470 -0.016 0.000 0.231 422 S C 1.063 175.701 174.600 0.062 0.000 0.987 422 S CA 0.934 59.175 58.200 0.069 0.000 0.936 422 S CB -0.526 62.703 63.200 0.049 0.000 0.766 422 S HN 0.798 nan 8.310 nan 0.000 0.528 423 D N 1.375 121.836 120.400 0.103 0.000 2.363 423 D HA 0.014 4.645 4.640 -0.016 0.000 0.226 423 D C 1.635 177.961 176.300 0.043 0.000 1.020 423 D CA 0.180 54.238 54.000 0.096 0.000 0.892 423 D CB -0.367 40.519 40.800 0.143 0.000 0.900 423 D HN 0.368 nan 8.370 nan 0.000 0.531 424 V N 1.510 121.378 119.914 -0.077 0.000 2.594 424 V HA -0.252 3.859 4.120 -0.016 0.000 0.253 424 V C 2.421 178.349 176.094 -0.277 0.000 1.069 424 V CA 2.218 64.231 62.300 -0.478 0.000 1.082 424 V CB -0.700 30.805 31.823 -0.529 0.000 0.680 424 V HN 0.419 nan 8.190 nan 0.000 0.469 425 S N -0.492 115.180 115.700 -0.047 0.000 2.420 425 S HA -0.299 4.162 4.470 -0.016 0.000 0.237 425 S C 1.755 176.359 174.600 0.007 0.000 1.023 425 S CA 1.463 59.716 58.200 0.088 0.000 0.991 425 S CB -0.546 62.690 63.200 0.060 0.000 0.792 425 S HN 0.670 nan 8.310 nan 0.000 0.488 426 Q N 0.768 120.526 119.800 -0.069 0.000 2.364 426 Q HA 0.145 4.476 4.340 -0.016 0.000 0.207 426 Q C 2.306 178.201 176.000 -0.175 0.000 0.970 426 Q CA 0.703 56.460 55.803 -0.077 0.000 0.888 426 Q CB -0.835 27.884 28.738 -0.031 0.000 0.951 426 Q HN 0.591 nan 8.270 nan 0.000 0.469 427 V N -0.035 119.657 119.914 -0.370 0.000 2.548 427 V HA -0.129 3.982 4.120 -0.016 0.000 0.249 427 V C 0.904 176.628 176.094 -0.617 0.000 1.055 427 V CA 0.899 62.874 62.300 -0.542 0.000 1.065 427 V CB -0.460 30.866 31.823 -0.829 0.000 0.681 427 V HN 0.201 nan 8.190 nan 0.000 0.462 428 F N 1.605 121.427 119.950 -0.212 0.000 2.666 428 F HA 0.288 4.806 4.527 -0.016 0.000 0.362 428 F C 0.535 176.142 175.800 -0.321 0.000 1.190 428 F CA 0.115 57.940 58.000 -0.293 0.000 1.328 428 F CB -0.619 38.245 39.000 -0.227 0.000 1.682 428 F HN 0.150 nan 8.300 nan 0.000 0.623 429 N N -0.167 118.368 118.700 -0.276 0.000 2.425 429 N HA 0.283 5.013 4.740 -0.016 0.000 0.289 429 N C 0.136 175.496 175.510 -0.250 0.000 1.074 429 N CA -0.560 52.375 53.050 -0.192 0.000 0.905 429 N CB 0.836 39.281 38.487 -0.071 0.000 1.586 429 N HN 0.051 nan 8.380 nan 0.000 0.490 430 F N 1.611 121.584 119.950 0.038 0.000 2.293 430 F HA -0.027 4.491 4.527 -0.015 0.000 0.297 430 F C 2.037 177.859 175.800 0.036 0.000 1.089 430 F CA 0.403 58.423 58.000 0.034 0.000 1.377 430 F CB 0.153 39.166 39.000 0.021 0.000 1.051 430 F HN 0.342 nan 8.300 nan 0.000 0.511 431 V N 0.202 120.226 119.914 0.184 0.000 2.358 431 V HA -0.290 3.821 4.120 -0.016 0.000 0.246 431 V C 1.863 178.008 176.094 0.085 0.000 1.047 431 V CA 2.051 64.424 62.300 0.122 0.000 1.035 431 V CB -0.783 31.093 31.823 0.087 0.000 0.658 431 V HN 0.280 nan 8.190 nan 0.000 0.452 432 N N 0.048 118.775 118.700 0.046 0.000 2.120 432 N HA -0.163 4.568 4.740 -0.016 0.000 0.188 432 N C 2.116 177.637 175.510 0.018 0.000 1.024 432 N CA 1.648 54.706 53.050 0.012 0.000 0.852 432 N CB -0.500 37.972 38.487 -0.026 0.000 1.003 432 N HN 0.364 nan 8.380 nan 0.000 0.424 433 S N -0.198 115.520 115.700 0.031 0.000 2.359 433 S HA -0.128 4.333 4.470 -0.016 0.000 0.222 433 S C 1.973 176.683 174.600 0.183 0.000 1.038 433 S CA 1.329 59.575 58.200 0.078 0.000 1.051 433 S CB -0.506 62.758 63.200 0.106 0.000 0.944 433 S HN 0.119 nan 8.310 nan 0.000 0.433 434 V N 2.183 122.222 119.914 0.209 0.000 2.295 434 V HA -0.093 4.018 4.120 -0.016 0.000 0.246 434 V C 2.454 178.681 176.094 0.223 0.000 1.049 434 V CA 1.828 64.281 62.300 0.254 0.000 1.024 434 V CB -0.678 31.249 31.823 0.174 0.000 0.648 434 V HN 0.441 nan 8.190 nan 0.000 0.447 435 E N -0.328 119.944 120.200 0.119 0.000 2.515 435 E HA -0.209 4.132 4.350 -0.016 0.000 0.201 435 E C 2.047 178.656 176.600 0.015 0.000 1.071 435 E CA 0.594 57.036 56.400 0.070 0.000 0.880 435 E CB -0.184 29.541 29.700 0.043 0.000 0.828 435 E HN 0.686 nan 8.360 nan 0.000 0.540 436 Q N -0.602 119.170 119.800 -0.047 0.000 2.230 436 Q HA -0.101 4.229 4.340 -0.016 0.000 0.202 436 Q C 0.025 175.819 176.000 -0.342 0.000 0.963 436 Q CA 0.622 56.276 55.803 -0.249 0.000 0.866 436 Q CB 0.160 28.645 28.738 -0.421 0.000 0.931 436 Q HN 0.276 nan 8.270 nan 0.000 0.452 437 Y N 0.445 120.759 120.300 0.024 0.000 2.736 437 Y HA 0.083 4.624 4.550 -0.015 0.000 0.339 437 Y C 1.259 177.169 175.900 0.016 0.000 1.301 437 Y CA 0.100 58.213 58.100 0.021 0.000 1.676 437 Y CB 0.044 38.519 38.460 0.026 0.000 1.725 437 Y HN 0.120 nan 8.280 nan 0.000 0.466 438 T N -2.438 112.161 114.554 0.075 0.000 3.054 438 T HA 0.233 4.573 4.350 -0.016 0.000 0.259 438 T C 1.187 175.919 174.700 0.052 0.000 1.092 438 T CA 0.147 62.280 62.100 0.055 0.000 1.121 438 T CB -0.031 68.850 68.868 0.021 0.000 0.912 438 T HN 0.441 nan 8.240 nan 0.000 0.489 439 A N 3.203 126.057 122.820 0.056 0.000 2.561 439 A HA 0.407 4.717 4.320 -0.016 0.000 0.234 439 A C 0.657 178.271 177.584 0.051 0.000 1.055 439 A CA -0.514 51.551 52.037 0.046 0.000 0.756 439 A CB -0.306 18.724 19.000 0.051 0.000 0.986 439 A HN 0.439 nan 8.150 nan 0.000 0.505 440 L N 1.839 123.080 121.223 0.031 0.000 2.653 440 L HA 0.020 4.351 4.340 -0.016 0.000 0.288 440 L C 1.686 178.570 176.870 0.023 0.000 1.243 440 L CA 2.461 57.315 54.840 0.022 0.000 0.906 440 L CB -1.215 40.851 42.059 0.012 0.000 1.154 440 L HN 1.491 nan 8.230 nan 0.000 0.498 441 G N 2.405 111.214 108.800 0.015 0.000 2.225 441 G HA2 -0.212 3.739 3.960 -0.016 0.000 0.254 441 G HA3 -0.212 3.739 3.960 -0.016 0.000 0.254 441 G C 0.668 175.574 174.900 0.010 0.000 0.988 441 G CA 0.202 45.304 45.100 0.003 0.000 0.625 441 G HN 1.066 nan 8.290 nan 0.000 0.527 442 G N -1.101 107.727 108.800 0.046 0.000 2.653 442 G HA2 0.435 4.385 3.960 -0.016 0.000 0.265 442 G HA3 0.435 4.385 3.960 -0.016 0.000 0.265 442 G C 0.955 175.888 174.900 0.055 0.000 1.237 442 G CA 1.016 46.162 45.100 0.076 0.000 0.946 442 G HN 0.706 nan 8.290 nan 0.000 0.522 443 T N -0.456 114.130 114.554 0.054 0.000 3.129 443 T HA 0.414 4.755 4.350 -0.016 0.000 0.251 443 T C 1.283 176.047 174.700 0.107 0.000 1.117 443 T CA 0.582 62.711 62.100 0.047 0.000 1.034 443 T CB -0.812 68.047 68.868 -0.015 0.000 0.968 443 T HN 0.808 nan 8.240 nan 0.000 0.526 444 A N 1.000 123.909 122.820 0.148 0.000 2.466 444 A HA 0.321 4.632 4.320 -0.016 0.000 0.238 444 A C 1.565 179.195 177.584 0.078 0.000 1.074 444 A CA -0.119 51.990 52.037 0.120 0.000 0.774 444 A CB 0.180 19.245 19.000 0.107 0.000 1.015 444 A HN 0.517 nan 8.150 nan 0.000 0.498 445 K N 0.897 121.337 120.400 0.067 0.000 2.020 445 K HA -0.210 4.101 4.320 -0.016 0.000 0.212 445 K C 2.260 178.884 176.600 0.041 0.000 1.050 445 K CA 2.295 58.613 56.287 0.052 0.000 0.929 445 K CB -0.263 32.266 32.500 0.048 0.000 0.714 445 K HN 0.900 nan 8.250 nan 0.000 0.443 446 S N -0.157 115.565 115.700 0.038 0.000 2.387 446 S HA -0.200 4.261 4.470 -0.016 0.000 0.230 446 S C 2.153 176.769 174.600 0.027 0.000 1.035 446 S CA 1.815 60.032 58.200 0.029 0.000 1.014 446 S CB -0.601 62.615 63.200 0.026 0.000 0.836 446 S HN 0.373 nan 8.310 nan 0.000 0.466 447 S N 0.708 116.429 115.700 0.035 0.000 2.368 447 S HA -0.019 4.442 4.470 -0.016 0.000 0.224 447 S C 1.861 176.472 174.600 0.019 0.000 1.029 447 S CA 1.089 59.307 58.200 0.030 0.000 0.988 447 S CB -0.645 62.582 63.200 0.045 0.000 0.838 447 S HN 0.411 nan 8.310 nan 0.000 0.462 448 V N 1.584 121.512 119.914 0.024 0.000 2.295 448 V HA -0.150 3.961 4.120 -0.016 0.000 0.246 448 V C 2.678 178.777 176.094 0.008 0.000 1.049 448 V CA 2.348 64.656 62.300 0.013 0.000 1.024 448 V CB -1.350 30.486 31.823 0.023 0.000 0.648 448 V HN 0.559 nan 8.190 nan 0.000 0.447 449 T N -0.589 113.974 114.554 0.016 0.000 2.720 449 T HA -0.221 4.120 4.350 -0.016 0.000 0.268 449 T C 1.933 176.637 174.700 0.007 0.000 1.037 449 T CA 2.160 64.267 62.100 0.013 0.000 1.144 449 T CB -0.396 68.482 68.868 0.017 0.000 0.864 449 T HN 0.544 nan 8.240 nan 0.000 0.444 450 T N 2.105 116.663 114.554 0.007 0.000 2.788 450 T HA -0.109 4.232 4.350 -0.016 0.000 0.268 450 T C 2.164 176.861 174.700 -0.004 0.000 1.044 450 T CA 1.121 63.222 62.100 0.003 0.000 1.139 450 T CB -0.262 68.609 68.868 0.005 0.000 0.867 450 T HN 0.493 nan 8.240 nan 0.000 0.454 451 Q N 0.235 120.030 119.800 -0.008 0.000 2.050 451 Q HA -0.024 4.306 4.340 -0.016 0.000 0.202 451 Q C 2.354 178.341 176.000 -0.021 0.000 0.980 451 Q CA 1.267 57.059 55.803 -0.020 0.000 0.840 451 Q CB -0.387 28.334 28.738 -0.028 0.000 0.898 451 Q HN 0.506 nan 8.270 nan 0.000 0.424 452 I N 0.828 121.388 120.570 -0.016 0.000 2.264 452 I HA -0.305 3.856 4.170 -0.016 0.000 0.248 452 I C 1.952 178.062 176.117 -0.011 0.000 1.111 452 I CA 1.388 62.679 61.300 -0.015 0.000 1.382 452 I CB -0.170 37.826 38.000 -0.006 0.000 1.060 452 I HN 0.250 nan 8.210 nan 0.000 0.418 453 E N 0.106 120.302 120.200 -0.007 0.000 2.107 453 E HA -0.215 4.126 4.350 -0.016 0.000 0.191 453 E C 2.227 178.822 176.600 -0.008 0.000 0.982 453 E CA 0.792 57.189 56.400 -0.005 0.000 0.809 453 E CB -0.040 29.659 29.700 -0.002 0.000 0.756 453 E HN 0.521 nan 8.360 nan 0.000 0.459 454 Q N 0.416 120.209 119.800 -0.011 0.000 2.084 454 Q HA -0.111 4.220 4.340 -0.016 0.000 0.202 454 Q C 2.253 178.243 176.000 -0.017 0.000 0.978 454 Q CA 0.994 56.789 55.803 -0.013 0.000 0.844 454 Q CB -0.003 28.726 28.738 -0.015 0.000 0.898 454 Q HN 0.298 nan 8.270 nan 0.000 0.426 455 L N -0.196 121.014 121.223 -0.021 0.000 2.141 455 L HA -0.140 4.191 4.340 -0.016 0.000 0.209 455 L C 2.467 179.326 176.870 -0.018 0.000 1.094 455 L CA 0.741 55.566 54.840 -0.025 0.000 0.763 455 L CB -0.202 41.837 42.059 -0.034 0.000 0.908 455 L HN 0.107 nan 8.230 nan 0.000 0.437 456 R N 0.353 120.845 120.500 -0.014 0.000 2.081 456 R HA -0.205 4.125 4.340 -0.016 0.000 0.235 456 R C 2.231 178.526 176.300 -0.009 0.000 1.131 456 R CA 1.396 57.491 56.100 -0.010 0.000 0.960 456 R CB -0.112 30.184 30.300 -0.006 0.000 0.856 456 R HN 0.171 nan 8.270 nan 0.000 0.436 457 E N -0.160 120.035 120.200 -0.009 0.000 2.072 457 E HA -0.130 4.211 4.350 -0.016 0.000 0.191 457 E C 1.611 178.206 176.600 -0.008 0.000 0.985 457 E CA 0.957 57.353 56.400 -0.007 0.000 0.801 457 E CB -0.340 29.357 29.700 -0.007 0.000 0.750 457 E HN 0.184 nan 8.360 nan 0.000 0.452 458 L N 0.093 121.310 121.223 -0.011 0.000 2.083 458 L HA -0.067 4.264 4.340 -0.016 0.000 0.209 458 L C 2.265 179.129 176.870 -0.010 0.000 1.083 458 L CA 1.718 56.551 54.840 -0.011 0.000 0.752 458 L CB -0.460 41.590 42.059 -0.015 0.000 0.899 458 L HN 0.301 nan 8.230 nan 0.000 0.433 459 M N -1.534 118.059 119.600 -0.011 0.000 2.254 459 M HA -0.193 4.278 4.480 -0.016 0.000 0.265 459 M C 2.221 178.516 176.300 -0.008 0.000 1.066 459 M CA 1.293 56.587 55.300 -0.010 0.000 1.123 459 M CB -0.284 32.310 32.600 -0.010 0.000 1.388 459 M HN 0.139 nan 8.290 nan 0.000 0.425 460 K N 1.185 121.581 120.400 -0.008 0.000 2.025 460 K HA -0.198 4.113 4.320 -0.016 0.000 0.207 460 K C 2.064 178.660 176.600 -0.007 0.000 1.049 460 K CA 1.496 57.779 56.287 -0.007 0.000 0.933 460 K CB -0.032 32.465 32.500 -0.006 0.000 0.714 460 K HN 0.106 nan 8.250 nan 0.000 0.438 461 K N 0.560 120.956 120.400 -0.006 0.000 2.097 461 K HA -0.190 4.120 4.320 -0.016 0.000 0.206 461 K C 1.992 178.588 176.600 -0.006 0.000 1.049 461 K CA 1.668 57.951 56.287 -0.006 0.000 0.933 461 K CB 0.074 32.571 32.500 -0.005 0.000 0.717 461 K HN 0.274 nan 8.250 nan 0.000 0.442 462 Q N -0.088 119.709 119.800 -0.006 0.000 2.230 462 Q HA -0.074 4.257 4.340 -0.016 0.000 0.202 462 Q C 1.757 177.752 176.000 -0.008 0.000 0.963 462 Q CA 1.054 56.854 55.803 -0.005 0.000 0.866 462 Q CB 0.206 28.942 28.738 -0.003 0.000 0.931 462 Q HN 0.269 nan 8.270 nan 0.000 0.452 463 K N 1.196 121.590 120.400 -0.010 0.000 2.103 463 K HA -0.120 4.191 4.320 -0.016 0.000 0.204 463 K C 1.188 177.779 176.600 -0.015 0.000 1.052 463 K CA 1.019 57.297 56.287 -0.014 0.000 0.945 463 K CB 0.045 32.536 32.500 -0.014 0.000 0.722 463 K HN 0.309 nan 8.250 nan 0.000 0.443 464 E N 2.370 122.563 120.200 -0.012 0.000 2.441 464 E HA -0.094 4.246 4.350 -0.016 0.000 0.210 464 E C -0.333 176.260 176.600 -0.012 0.000 1.306 464 E CA -0.008 56.385 56.400 -0.012 0.000 1.307 464 E CB -0.428 29.267 29.700 -0.009 0.000 1.297 464 E HN 0.289 nan 8.360 nan 0.000 0.440 465 Q N 0.000 119.791 119.800 -0.014 0.000 2.315 465 Q HA 0.000 4.331 4.340 -0.016 0.000 0.214 465 Q CA 0.000 55.794 55.803 -0.014 0.000 1.022 465 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 465 Q HN 0.000 nan 8.270 nan 0.000 0.481