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 2x24_1_A DATA FIRST_RESID 27 DATA SEQUENCE LQAKRFQAQS LGTTYVYDFP EMFRQALFKM WPSPDKYPKD ILTYTELVLD DATA SEQUENCE PQGQLVEMNR LPGGNEVGMV AFKMTLKTLE YPEGRDIILI SNDITFRIGS DATA SEQUENCE FGPGEDLLYL RASELARAEG IPRVYLAANS GARIGLAEEI KHMFQVAWVD DATA SEQUENCE PEDPHKGIKY LYLTPQDYTR ISSLNSVHCK HVEEDGESRY VITDIIGKEE DATA SEQUENCE GLGVENLRGS GMIAGETSQD YDEIVTISMV SCRALGIGAY LVRLGQRVIQ DATA SEQUENCE VENSHIILTG ATALNKVLGR DVYTSNNQLG GVQIMHHNGV SHVTVPDDFE DATA SEQUENCE GVCTILEWLS YMPKDNRSPV PVVTPKDPID REIEFQPSRG PYDPRWLLAG DATA SEQUENCE RPHPTLKGSW QSGFFDQGSF KEIMVPWAQT VVTGRARLGG IPVGVIAAET DATA SEQUENCE RTVELVVPAD PANLDSEAKI IQQAGQVWFP DSAYKTAQAI KDFNREKLPL DATA SEQUENCE MIFANWRGFS GGMKDMYDQV LKFGAYIVDG LRKYRQPVLI YIPPYAEVRG DATA SEQUENCE GSWAVMDTSI NPLCIEMYAD RESRASVLEP EGTVEIKYQK KDLVKTIRRL DATA SEQUENCE DPISKXXXXX XXXXXXXXXX XXXXXXQLKA REDLLLPMYH QVALHFADLH DATA SEQUENCE DTAGRMLEKG VIYDILEWKT ARSFLYWRLR RLLLESQVKQ XXXXXXXXXX DATA SEQUENCE XXXVQSMLRR WFVETEGAVK AYLWDNNQTV VQWLEAHG 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.806 176.870 -0.106 0.000 1.165 27 L CA 0.000 54.799 54.840 -0.068 0.000 0.813 27 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 28 Q N 0.584 120.347 119.800 -0.063 0.000 2.432 28 Q HA 0.372 4.714 4.340 0.002 0.000 0.205 28 Q C 1.785 177.768 176.000 -0.029 0.000 0.945 28 Q CA 1.358 57.136 55.803 -0.042 0.000 0.924 28 Q CB 0.240 28.960 28.738 -0.030 0.000 1.016 28 Q HN 0.640 nan 8.270 nan 0.000 0.503 29 A N 0.398 123.188 122.820 -0.051 0.000 1.874 29 A HA -0.101 4.221 4.320 0.002 0.000 0.214 29 A C 1.827 179.396 177.584 -0.024 0.000 1.189 29 A CA 1.122 53.150 52.037 -0.016 0.000 0.615 29 A CB -0.203 18.780 19.000 -0.028 0.000 0.830 29 A HN 0.194 nan 8.150 nan 0.000 0.443 30 K N -0.466 119.835 120.400 -0.166 0.000 2.097 30 K HA -0.044 4.277 4.320 0.002 0.000 0.205 30 K C 2.115 178.479 176.600 -0.393 0.000 1.050 30 K CA 0.882 56.973 56.287 -0.327 0.000 0.938 30 K CB -0.197 31.929 32.500 -0.625 0.000 0.718 30 K HN 0.328 nan 8.250 nan 0.000 0.442 31 R N -0.316 119.974 120.500 -0.349 0.000 2.189 31 R HA -0.091 4.250 4.340 0.002 0.000 0.223 31 R C 1.996 178.312 176.300 0.028 0.000 1.092 31 R CA 0.868 56.889 56.100 -0.133 0.000 0.989 31 R CB -0.080 30.188 30.300 -0.054 0.000 0.876 31 R HN 0.133 nan 8.270 nan 0.000 0.457 32 F N 0.791 120.687 119.950 -0.090 0.000 2.262 32 F HA -0.053 4.476 4.527 0.002 0.000 0.292 32 F C 2.410 178.192 175.800 -0.030 0.000 1.081 32 F CA 0.912 58.883 58.000 -0.048 0.000 1.355 32 F CB -0.106 38.867 39.000 -0.044 0.000 1.069 32 F HN -0.153 nan 8.300 nan 0.000 0.506 33 Q N 0.857 120.649 119.800 -0.014 0.000 2.135 33 Q HA -0.129 4.213 4.340 0.002 0.000 0.204 33 Q C 2.087 178.036 176.000 -0.085 0.000 0.981 33 Q CA 2.049 57.817 55.803 -0.059 0.000 0.856 33 Q CB -0.539 28.211 28.738 0.020 0.000 0.902 33 Q HN 0.459 nan 8.270 nan 0.000 0.425 34 A N 0.194 122.989 122.820 -0.041 0.000 1.854 34 A HA -0.216 4.105 4.320 0.002 0.000 0.214 34 A C 2.004 179.542 177.584 -0.077 0.000 1.192 34 A CA 1.551 53.585 52.037 -0.005 0.000 0.611 34 A CB -0.813 18.244 19.000 0.095 0.000 0.832 34 A HN 0.600 nan 8.150 nan 0.000 0.442 35 Q N 0.700 120.427 119.800 -0.121 0.000 2.226 35 Q HA -0.130 4.212 4.340 0.002 0.000 0.204 35 Q C 1.737 177.602 176.000 -0.226 0.000 0.975 35 Q CA 2.338 58.051 55.803 -0.149 0.000 0.866 35 Q CB -0.791 27.877 28.738 -0.116 0.000 0.915 35 Q HN 0.620 nan 8.270 nan 0.000 0.440 36 S N 0.063 115.545 115.700 -0.362 0.000 2.428 36 S HA 0.007 4.478 4.470 0.002 0.000 0.230 36 S C 1.679 176.176 174.600 -0.172 0.000 1.014 36 S CA 0.589 58.575 58.200 -0.358 0.000 0.957 36 S CB -0.250 62.635 63.200 -0.526 0.000 0.784 36 S HN 0.419 nan 8.310 nan 0.000 0.499 37 L N 0.996 122.145 121.223 -0.123 0.000 2.592 37 L HA 0.346 4.687 4.340 0.002 0.000 0.227 37 L C 1.916 178.757 176.870 -0.048 0.000 1.127 37 L CA 0.437 55.241 54.840 -0.060 0.000 0.884 37 L CB -0.242 41.797 42.059 -0.033 0.000 1.065 37 L HN 0.590 nan 8.230 nan 0.000 0.457 38 G N -0.497 108.265 108.800 -0.065 0.000 2.205 38 G HA2 -0.324 3.637 3.960 0.002 0.000 0.261 38 G HA3 -0.324 3.637 3.960 0.002 0.000 0.261 38 G C 0.566 175.441 174.900 -0.042 0.000 0.980 38 G CA 0.608 45.679 45.100 -0.048 0.000 0.632 38 G HN 0.315 nan 8.290 nan 0.000 0.533 39 T N -0.223 114.306 114.554 -0.041 0.000 2.867 39 T HA 0.614 4.966 4.350 0.002 0.000 0.286 39 T C 0.416 175.068 174.700 -0.080 0.000 1.022 39 T CA 0.875 62.954 62.100 -0.035 0.000 0.933 39 T CB 0.884 69.749 68.868 -0.005 0.000 1.280 39 T HN 0.211 nan 8.240 nan 0.000 0.566 40 T N 2.026 116.476 114.554 -0.173 0.000 2.771 40 T HA 0.321 4.673 4.350 0.002 0.000 0.281 40 T C -1.163 173.318 174.700 -0.364 0.000 0.982 40 T CA -0.210 61.654 62.100 -0.394 0.000 0.978 40 T CB 0.364 68.713 68.868 -0.866 0.000 0.930 40 T HN 0.497 nan 8.240 nan 0.000 0.447 41 Y N 4.444 124.587 120.300 -0.261 0.000 2.650 41 Y HA 0.104 4.655 4.550 0.002 0.000 0.331 41 Y C 1.528 177.355 175.900 -0.122 0.000 1.165 41 Y CA -0.237 57.797 58.100 -0.109 0.000 1.473 41 Y CB 0.161 38.620 38.460 -0.001 0.000 1.224 41 Y HN 0.458 nan 8.280 nan 0.000 0.533 42 V N 7.575 127.143 119.914 -0.577 0.000 2.311 42 V HA -0.407 3.714 4.120 0.002 0.000 0.256 42 V C 1.303 177.199 176.094 -0.331 0.000 1.077 42 V CA 2.486 64.578 62.300 -0.347 0.000 1.067 42 V CB -0.722 30.884 31.823 -0.361 0.000 0.659 42 V HN 0.934 nan 8.190 nan 0.000 0.451 43 Y N 0.001 120.000 120.300 -0.503 0.000 2.583 43 Y HA 0.014 4.566 4.550 0.002 0.000 0.293 43 Y C 2.218 178.143 175.900 0.042 0.000 1.157 43 Y CA 1.056 59.129 58.100 -0.046 0.000 1.315 43 Y CB -0.115 38.385 38.460 0.066 0.000 1.021 43 Y HN 0.421 nan 8.280 nan 0.000 0.536 44 D N -1.345 119.104 120.400 0.082 0.000 2.346 44 D HA -0.058 4.583 4.640 0.002 0.000 0.206 44 D C 1.583 177.890 176.300 0.012 0.000 1.001 44 D CA 0.422 54.460 54.000 0.063 0.000 0.871 44 D CB -0.108 40.717 40.800 0.042 0.000 0.943 44 D HN 0.247 nan 8.370 nan 0.000 0.518 45 F N 1.445 121.384 119.950 -0.017 0.000 2.126 45 F HA -0.086 4.442 4.527 0.002 0.000 0.299 45 F C -0.529 175.281 175.800 0.016 0.000 1.096 45 F CA 0.785 58.782 58.000 -0.006 0.000 1.255 45 F CB -1.645 37.366 39.000 0.018 0.000 0.997 45 F HN 0.072 nan 8.300 nan 0.000 0.479 46 P HA -0.147 nan 4.420 nan 0.000 0.220 46 P C 1.401 178.693 177.300 -0.013 0.000 1.148 46 P CA 1.197 64.123 63.100 -0.291 0.000 0.803 46 P CB 0.055 31.059 31.700 -1.159 0.000 0.782 47 E N -0.991 119.243 120.200 0.056 0.000 2.274 47 E HA -0.038 4.313 4.350 0.002 0.000 0.194 47 E C 1.875 178.541 176.600 0.110 0.000 0.996 47 E CA 0.920 57.379 56.400 0.099 0.000 0.840 47 E CB -0.793 28.969 29.700 0.104 0.000 0.772 47 E HN 0.187 nan 8.360 nan 0.000 0.491 48 M N -1.187 118.486 119.600 0.122 0.000 2.200 48 M HA -0.042 4.439 4.480 0.002 0.000 0.265 48 M C 1.367 177.681 176.300 0.023 0.000 1.066 48 M CA 0.919 56.295 55.300 0.126 0.000 1.127 48 M CB -0.140 32.528 32.600 0.114 0.000 1.379 48 M HN 0.109 nan 8.290 nan 0.000 0.420 49 F N -0.123 119.819 119.950 -0.013 0.000 2.113 49 F HA -0.127 4.401 4.527 0.002 0.000 0.297 49 F C 2.647 178.362 175.800 -0.141 0.000 1.103 49 F CA 1.423 59.364 58.000 -0.098 0.000 1.248 49 F CB -0.496 38.403 39.000 -0.167 0.000 0.999 49 F HN 0.037 nan 8.300 nan 0.000 0.475 50 R N 0.090 120.602 120.500 0.021 0.000 2.091 50 R HA -0.179 4.162 4.340 0.002 0.000 0.238 50 R C 2.254 178.271 176.300 -0.471 0.000 1.136 50 R CA 1.405 57.376 56.100 -0.214 0.000 0.959 50 R CB -0.156 30.092 30.300 -0.087 0.000 0.856 50 R HN 0.237 nan 8.270 nan 0.000 0.437 51 Q N -0.585 119.174 119.800 -0.069 0.000 2.123 51 Q HA -0.044 4.297 4.340 0.002 0.000 0.199 51 Q C 1.891 178.026 176.000 0.224 0.000 0.966 51 Q CA 1.493 57.413 55.803 0.195 0.000 0.845 51 Q CB -0.007 28.883 28.738 0.253 0.000 0.907 51 Q HN 0.391 nan 8.270 nan 0.000 0.439 52 A N 0.272 123.186 122.820 0.156 0.000 2.067 52 A HA -0.010 4.311 4.320 0.002 0.000 0.217 52 A C 2.119 179.701 177.584 -0.004 0.000 1.156 52 A CA 0.427 52.517 52.037 0.089 0.000 0.683 52 A CB -0.379 18.509 19.000 -0.186 0.000 0.808 52 A HN 0.269 nan 8.150 nan 0.000 0.455 53 L N -1.698 119.456 121.223 -0.115 0.000 2.156 53 L HA -0.108 4.234 4.340 0.002 0.000 0.208 53 L C 2.169 178.967 176.870 -0.121 0.000 1.095 53 L CA 0.809 55.562 54.840 -0.144 0.000 0.770 53 L CB -0.453 41.453 42.059 -0.256 0.000 0.914 53 L HN 0.359 nan 8.230 nan 0.000 0.439 54 F N 0.316 120.219 119.950 -0.079 0.000 2.146 54 F HA -0.188 4.340 4.527 0.002 0.000 0.298 54 F C 2.588 178.373 175.800 -0.026 0.000 1.096 54 F CA 1.192 59.048 58.000 -0.239 0.000 1.275 54 F CB -0.661 38.281 39.000 -0.096 0.000 1.008 54 F HN -0.029 nan 8.300 nan 0.000 0.480 55 K N -0.123 120.433 120.400 0.259 0.000 2.026 55 K HA -0.198 4.123 4.320 0.002 0.000 0.208 55 K C 1.999 178.687 176.600 0.146 0.000 1.048 55 K CA 1.552 57.968 56.287 0.214 0.000 0.929 55 K CB -0.206 32.424 32.500 0.217 0.000 0.713 55 K HN 0.082 nan 8.250 nan 0.000 0.439 56 M N 0.121 119.783 119.600 0.103 0.000 2.374 56 M HA -0.077 4.404 4.480 0.002 0.000 0.264 56 M C 0.417 176.761 176.300 0.073 0.000 1.067 56 M CA 0.661 55.996 55.300 0.058 0.000 1.103 56 M CB -0.065 32.553 32.600 0.030 0.000 1.402 56 M HN 0.235 nan 8.290 nan 0.000 0.444 57 W N 3.590 124.863 121.300 -0.044 0.000 2.251 57 W HA 0.172 4.835 4.660 0.004 0.000 0.327 57 W C -2.341 174.209 176.519 0.051 0.000 1.361 57 W CA -1.376 55.946 57.345 -0.039 0.000 1.234 57 W CB 0.483 29.840 29.460 -0.172 0.000 1.212 57 W HN -0.009 nan 8.180 nan 0.000 0.557 58 P HA 0.107 nan 4.420 nan 0.000 0.296 58 P C -0.668 176.566 177.300 -0.110 0.000 1.306 58 P CA 0.006 62.919 63.100 -0.311 0.000 0.818 58 P CB 1.413 32.886 31.700 -0.379 0.000 0.969 59 S N 2.144 117.895 115.700 0.084 0.000 3.516 59 S HA -0.064 4.407 4.470 0.002 0.000 0.562 59 S C -2.577 172.155 174.600 0.220 0.000 0.655 59 S CA -0.858 57.418 58.200 0.127 0.000 1.400 59 S CB -2.383 60.846 63.200 0.048 0.000 0.946 59 S HN 0.494 nan 8.310 nan 0.000 0.871 60 P HA 0.618 nan 4.420 nan 0.000 0.290 60 P C -0.635 176.617 177.300 -0.079 0.000 1.275 60 P CA -0.352 62.696 63.100 -0.087 0.000 0.841 60 P CB 0.849 32.262 31.700 -0.479 0.000 1.042 61 D N 1.384 121.733 120.400 -0.086 0.000 2.277 61 D HA 0.299 4.941 4.640 0.002 0.000 0.249 61 D C 0.003 176.319 176.300 0.027 0.000 1.134 61 D CA 0.136 54.077 54.000 -0.099 0.000 0.863 61 D CB 0.308 41.047 40.800 -0.101 0.000 1.143 61 D HN 0.273 nan 8.370 nan 0.000 0.458 62 K N 2.249 122.715 120.400 0.111 0.000 3.181 62 K HA -0.026 4.295 4.320 0.002 0.000 0.093 62 K C -1.038 175.790 176.600 0.380 0.000 0.990 62 K CA -0.476 55.945 56.287 0.223 0.000 0.961 62 K CB -0.626 32.014 32.500 0.232 0.000 0.962 62 K HN 0.295 nan 8.250 nan 0.000 0.338 63 Y N 2.067 122.409 120.300 0.071 0.000 2.597 63 Y HA 0.110 4.661 4.550 0.002 0.000 0.336 63 Y C -1.815 173.918 175.900 -0.278 0.000 1.216 63 Y CA -1.814 56.170 58.100 -0.194 0.000 1.463 63 Y CB -0.166 38.249 38.460 -0.075 0.000 1.303 63 Y HN 0.069 nan 8.280 nan 0.000 0.576 64 P HA 0.203 nan 4.420 nan 0.000 0.276 64 P C -1.089 176.124 177.300 -0.144 0.000 1.244 64 P CA -0.759 62.161 63.100 -0.299 0.000 0.801 64 P CB 0.808 32.202 31.700 -0.509 0.000 1.006 65 K N 1.105 121.461 120.400 -0.074 0.000 2.322 65 K HA 0.198 4.520 4.320 0.002 0.000 0.283 65 K C -0.353 176.216 176.600 -0.052 0.000 1.042 65 K CA 0.262 56.530 56.287 -0.032 0.000 0.958 65 K CB -0.577 31.915 32.500 -0.014 0.000 0.984 65 K HN 0.420 nan 8.250 nan 0.000 0.473 66 D N 1.858 122.237 120.400 -0.034 0.000 2.718 66 D HA -0.208 4.433 4.640 0.002 0.000 0.242 66 D C 0.453 176.701 176.300 -0.086 0.000 1.123 66 D CA 0.319 54.292 54.000 -0.045 0.000 0.690 66 D CB -1.340 39.436 40.800 -0.039 0.000 1.059 66 D HN 0.607 nan 8.370 nan 0.000 0.429 67 I N -0.649 119.843 120.570 -0.130 0.000 2.248 67 I HA -0.175 3.997 4.170 0.002 0.000 0.248 67 I C 0.755 176.775 176.117 -0.162 0.000 1.107 67 I CA 1.277 62.444 61.300 -0.223 0.000 1.373 67 I CB 0.216 37.992 38.000 -0.373 0.000 1.055 67 I HN 0.266 nan 8.210 nan 0.000 0.418 68 L N -0.148 121.007 121.223 -0.114 0.000 2.404 68 L HA 0.438 4.780 4.340 0.002 0.000 0.272 68 L C -0.793 176.086 176.870 0.016 0.000 0.980 68 L CA 0.016 54.832 54.840 -0.040 0.000 0.836 68 L CB 1.823 43.866 42.059 -0.027 0.000 1.238 68 L HN -0.256 nan 8.230 nan 0.000 0.408 69 T N 4.451 119.018 114.554 0.022 0.000 2.841 69 T HA 0.743 5.094 4.350 0.002 0.000 0.283 69 T C -1.531 173.216 174.700 0.078 0.000 1.000 69 T CA -0.187 61.904 62.100 -0.014 0.000 0.977 69 T CB 1.000 69.842 68.868 -0.043 0.000 0.979 69 T HN 0.524 nan 8.240 nan 0.000 0.446 70 Y N -0.594 119.676 120.300 -0.050 0.000 2.638 70 Y HA 0.764 5.315 4.550 0.002 0.000 0.335 70 Y C -0.737 175.189 175.900 0.044 0.000 1.155 70 Y CA -1.310 56.773 58.100 -0.027 0.000 1.046 70 Y CB 1.078 39.482 38.460 -0.092 0.000 1.303 70 Y HN 0.563 nan 8.280 nan 0.000 0.460 71 T N -0.844 113.872 114.554 0.269 0.000 2.949 71 T HA 0.314 4.665 4.350 0.002 0.000 0.300 71 T C -0.988 173.895 174.700 0.306 0.000 0.988 71 T CA -0.784 61.435 62.100 0.198 0.000 0.993 71 T CB 1.604 70.521 68.868 0.082 0.000 0.984 71 T HN 0.903 nan 8.240 nan 0.000 0.442 72 E N 3.013 123.416 120.200 0.339 0.000 2.415 72 E HA 0.167 4.519 4.350 0.002 0.000 0.263 72 E C -0.683 175.905 176.600 -0.020 0.000 0.995 72 E CA -0.242 56.231 56.400 0.122 0.000 0.915 72 E CB 0.411 30.166 29.700 0.092 0.000 0.951 72 E HN 0.606 nan 8.360 nan 0.000 0.449 73 L N 5.188 126.333 121.223 -0.131 0.000 2.264 73 L HA 0.346 4.687 4.340 0.002 0.000 0.289 73 L C -0.521 176.273 176.870 -0.127 0.000 1.044 73 L CA -0.620 54.160 54.840 -0.101 0.000 0.807 73 L CB 1.316 43.319 42.059 -0.093 0.000 1.192 73 L HN 0.279 nan 8.230 nan 0.000 0.425 74 V N 4.057 123.925 119.914 -0.077 0.000 3.001 74 V HA 0.504 4.626 4.120 0.002 0.000 0.314 74 V C -0.135 175.931 176.094 -0.047 0.000 1.099 74 V CA -0.766 61.496 62.300 -0.064 0.000 0.989 74 V CB 2.559 34.361 31.823 -0.036 0.000 1.040 74 V HN 0.480 nan 8.190 nan 0.000 0.434 75 L N 2.311 123.509 121.223 -0.042 0.000 2.322 75 L HA 0.554 4.895 4.340 0.002 0.000 0.279 75 L C -0.430 176.429 176.870 -0.018 0.000 1.036 75 L CA -0.637 54.185 54.840 -0.030 0.000 0.807 75 L CB 1.627 43.669 42.059 -0.030 0.000 1.226 75 L HN 0.847 nan 8.230 nan 0.000 0.433 76 D N 1.651 122.043 120.400 -0.013 0.000 2.348 76 D HA 0.261 4.902 4.640 0.002 0.000 0.249 76 D C -2.093 174.205 176.300 -0.004 0.000 1.110 76 D CA -2.039 51.956 54.000 -0.007 0.000 0.967 76 D CB 0.380 41.176 40.800 -0.006 0.000 1.139 76 D HN 0.159 nan 8.370 nan 0.000 0.466 77 P HA -0.148 nan 4.420 nan 0.000 0.222 77 P C 0.904 178.205 177.300 0.001 0.000 1.142 77 P CA 0.966 64.067 63.100 0.003 0.000 0.788 77 P CB 0.083 31.786 31.700 0.005 0.000 0.767 78 Q N -1.550 118.249 119.800 -0.001 0.000 2.444 78 Q HA 0.122 4.463 4.340 0.002 0.000 0.206 78 Q C 1.429 177.427 176.000 -0.003 0.000 0.948 78 Q CA 0.916 56.718 55.803 -0.002 0.000 0.946 78 Q CB -0.566 28.170 28.738 -0.003 0.000 1.027 78 Q HN 0.289 nan 8.270 nan 0.000 0.513 79 G N 1.106 109.903 108.800 -0.004 0.000 2.147 79 G HA2 -0.211 3.751 3.960 0.002 0.000 0.244 79 G HA3 -0.211 3.751 3.960 0.002 0.000 0.244 79 G C -0.016 174.879 174.900 -0.009 0.000 1.005 79 G CA 0.078 45.175 45.100 -0.005 0.000 0.713 79 G HN 0.196 nan 8.290 nan 0.000 0.515 80 Q N -0.980 118.814 119.800 -0.011 0.000 2.345 80 Q HA 0.674 5.016 4.340 0.002 0.000 0.268 80 Q C 0.122 176.111 176.000 -0.019 0.000 1.054 80 Q CA -1.078 54.717 55.803 -0.014 0.000 0.835 80 Q CB 2.142 30.873 28.738 -0.012 0.000 1.339 80 Q HN 0.295 nan 8.270 nan 0.000 0.447 81 L N 1.248 122.456 121.223 -0.024 0.000 2.439 81 L HA 0.358 4.700 4.340 0.002 0.000 0.269 81 L C -0.614 176.242 176.870 -0.024 0.000 1.179 81 L CA 0.106 54.928 54.840 -0.030 0.000 0.828 81 L CB 1.000 43.037 42.059 -0.037 0.000 1.106 81 L HN 0.418 nan 8.230 nan 0.000 0.467 82 V N 4.284 124.183 119.914 -0.024 0.000 2.777 82 V HA 0.283 4.404 4.120 0.002 0.000 0.306 82 V C 0.203 176.289 176.094 -0.014 0.000 1.112 82 V CA -0.495 61.795 62.300 -0.016 0.000 0.917 82 V CB 2.139 33.955 31.823 -0.011 0.000 1.018 82 V HN 0.899 nan 8.190 nan 0.000 0.426 83 E N 4.741 124.937 120.200 -0.006 0.000 2.405 83 E HA 0.044 4.395 4.350 0.002 0.000 0.194 83 E C 0.524 177.133 176.600 0.016 0.000 1.149 83 E CA -0.037 56.367 56.400 0.006 0.000 0.933 83 E CB -0.115 29.589 29.700 0.007 0.000 1.028 83 E HN 0.739 nan 8.360 nan 0.000 0.487 84 M N -0.133 119.474 119.600 0.010 0.000 2.260 84 M HA 0.074 4.556 4.480 0.002 0.000 0.348 84 M C -0.536 175.785 176.300 0.034 0.000 1.342 84 M CA 0.482 55.791 55.300 0.016 0.000 1.040 84 M CB 0.276 32.881 32.600 0.009 0.000 1.810 84 M HN -0.250 nan 8.290 nan 0.000 0.453 85 N N 3.236 121.957 118.700 0.035 0.000 2.444 85 N HA 0.506 5.247 4.740 0.002 0.000 0.262 85 N C -0.783 174.753 175.510 0.043 0.000 0.974 85 N CA -0.832 52.251 53.050 0.055 0.000 0.933 85 N CB 1.125 39.630 38.487 0.030 0.000 1.137 85 N HN 0.742 nan 8.380 nan 0.000 0.498 86 R N 1.276 121.812 120.500 0.060 0.000 3.084 86 R HA 0.617 4.959 4.340 0.002 0.000 0.234 86 R C -1.108 175.207 176.300 0.025 0.000 1.433 86 R CA -0.931 55.188 56.100 0.032 0.000 1.053 86 R CB 0.476 30.788 30.300 0.019 0.000 1.449 86 R HN 0.145 nan 8.270 nan 0.000 0.505 87 L N 2.089 123.303 121.223 -0.015 0.000 2.312 87 L HA 0.424 4.765 4.340 0.002 0.000 0.281 87 L C -1.997 174.779 176.870 -0.156 0.000 1.070 87 L CA -1.882 52.934 54.840 -0.040 0.000 0.805 87 L CB 1.150 43.193 42.059 -0.027 0.000 1.174 87 L HN 0.605 nan 8.230 nan 0.000 0.434 88 P HA 0.130 nan 4.420 nan 0.000 0.265 88 P C 0.623 177.672 177.300 -0.419 0.000 1.193 88 P CA 0.592 63.349 63.100 -0.571 0.000 0.765 88 P CB 0.955 32.563 31.700 -0.152 0.000 0.823 89 G N 2.167 110.594 108.800 -0.622 0.000 2.259 89 G HA2 -0.183 3.778 3.960 0.002 0.000 0.217 89 G HA3 -0.183 3.778 3.960 0.002 0.000 0.217 89 G C 0.764 175.674 174.900 0.017 0.000 1.001 89 G CA -0.096 44.977 45.100 -0.045 0.000 0.627 89 G HN 0.859 nan 8.290 nan 0.000 0.501 90 G N 1.722 110.475 108.800 -0.079 0.000 3.353 90 G HA2 0.428 4.389 3.960 0.002 0.000 0.247 90 G HA3 0.428 4.389 3.960 0.002 0.000 0.247 90 G C 0.286 175.236 174.900 0.083 0.000 1.025 90 G CA 0.328 45.437 45.100 0.015 0.000 1.863 90 G HN 0.939 nan 8.290 nan 0.000 0.635 91 N N 0.159 118.965 118.700 0.176 0.000 2.421 91 N HA 0.187 4.928 4.740 0.002 0.000 0.285 91 N C 0.346 175.974 175.510 0.197 0.000 1.027 91 N CA -0.708 52.452 53.050 0.183 0.000 0.918 91 N CB 1.703 40.332 38.487 0.238 0.000 1.152 91 N HN 0.240 nan 8.380 nan 0.000 0.485 92 E N 1.018 121.279 120.200 0.102 0.000 2.476 92 E HA 0.023 4.374 4.350 0.002 0.000 0.199 92 E C 0.609 177.200 176.600 -0.015 0.000 1.021 92 E CA 0.021 56.518 56.400 0.161 0.000 0.907 92 E CB 0.106 29.867 29.700 0.102 0.000 0.974 92 E HN 0.489 nan 8.360 nan 0.000 0.489 93 V N -3.100 116.557 119.914 -0.428 0.000 2.962 93 V HA 0.820 4.941 4.120 0.002 0.000 0.313 93 V C 0.502 175.887 176.094 -1.181 0.000 1.099 93 V CA -0.547 61.241 62.300 -0.854 0.000 0.971 93 V CB 1.690 33.292 31.823 -0.370 0.000 1.028 93 V HN -0.061 nan 8.190 nan 0.000 0.430 94 G N 2.210 110.244 108.800 -1.277 0.000 3.574 94 G HA2 0.511 4.472 3.960 0.002 0.000 0.262 94 G HA3 0.511 4.472 3.960 0.002 0.000 0.262 94 G C -0.397 174.291 174.900 -0.354 0.000 1.231 94 G CA -0.004 44.700 45.100 -0.660 0.000 1.608 94 G HN 0.892 nan 8.290 nan 0.000 0.628 95 M N 0.618 120.025 119.600 -0.322 0.000 2.325 95 M HA 0.508 4.990 4.480 0.002 0.000 0.285 95 M C -1.757 174.404 176.300 -0.231 0.000 1.119 95 M CA -0.412 54.753 55.300 -0.226 0.000 0.959 95 M CB 2.420 34.910 32.600 -0.182 0.000 1.737 95 M HN -0.141 nan 8.290 nan 0.000 0.486 96 V N 3.471 123.239 119.914 -0.244 0.000 2.588 96 V HA 1.006 5.128 4.120 0.002 0.000 0.304 96 V C -0.533 175.353 176.094 -0.348 0.000 1.042 96 V CA -0.578 61.491 62.300 -0.384 0.000 0.877 96 V CB 1.482 32.935 31.823 -0.616 0.000 0.996 96 V HN 0.991 nan 8.190 nan 0.000 0.425 97 A N 4.263 126.833 122.820 -0.417 0.000 2.380 97 A HA 1.007 5.328 4.320 0.002 0.000 0.315 97 A C -1.449 175.860 177.584 -0.458 0.000 1.101 97 A CA -0.425 51.430 52.037 -0.304 0.000 0.771 97 A CB 1.382 20.266 19.000 -0.193 0.000 1.287 97 A HN 0.632 nan 8.150 nan 0.000 0.436 98 F N 0.279 120.156 119.950 -0.121 0.000 2.596 98 F HA 0.464 4.993 4.527 0.003 0.000 0.311 98 F C 0.054 175.791 175.800 -0.105 0.000 1.116 98 F CA -0.480 57.465 58.000 -0.092 0.000 0.957 98 F CB 2.485 41.376 39.000 -0.181 0.000 1.250 98 F HN 0.570 nan 8.300 nan 0.000 0.444 99 K N 4.925 125.413 120.400 0.146 0.000 2.211 99 K HA 0.723 5.044 4.320 0.002 0.000 0.275 99 K C -1.100 175.549 176.600 0.082 0.000 1.024 99 K CA -0.324 55.994 56.287 0.053 0.000 0.887 99 K CB 0.773 33.290 32.500 0.029 0.000 1.084 99 K HN 0.754 nan 8.250 nan 0.000 0.463 100 M N 1.853 121.447 119.600 -0.010 0.000 2.716 100 M HA 0.372 4.853 4.480 0.002 0.000 0.307 100 M C -0.734 175.541 176.300 -0.042 0.000 1.223 100 M CA -1.004 54.285 55.300 -0.017 0.000 0.871 100 M CB 2.301 34.791 32.600 -0.183 0.000 1.739 100 M HN 0.383 nan 8.290 nan 0.000 0.475 101 T N 2.570 117.110 114.554 -0.023 0.000 2.840 101 T HA 0.695 5.047 4.350 0.002 0.000 0.287 101 T C -0.712 173.965 174.700 -0.037 0.000 0.991 101 T CA -0.584 61.495 62.100 -0.035 0.000 0.964 101 T CB 0.991 69.845 68.868 -0.024 0.000 0.954 101 T HN 0.413 nan 8.240 nan 0.000 0.438 102 L N 2.925 124.124 121.223 -0.039 0.000 2.334 102 L HA 0.583 4.925 4.340 0.002 0.000 0.276 102 L C 0.237 177.111 176.870 0.007 0.000 1.014 102 L CA -0.886 53.939 54.840 -0.026 0.000 0.815 102 L CB 1.470 43.523 42.059 -0.011 0.000 1.268 102 L HN 0.313 nan 8.230 nan 0.000 0.428 103 K N 1.803 122.198 120.400 -0.009 0.000 2.235 103 K HA 0.647 4.968 4.320 0.002 0.000 0.266 103 K C -0.623 176.066 176.600 0.149 0.000 0.980 103 K CA -0.532 55.773 56.287 0.030 0.000 0.849 103 K CB 1.897 34.335 32.500 -0.103 0.000 1.098 103 K HN 0.769 nan 8.250 nan 0.000 0.445 104 T N -1.031 113.703 114.554 0.299 0.000 2.883 104 T HA 0.205 4.557 4.350 0.002 0.000 0.296 104 T C 0.666 175.571 174.700 0.343 0.000 1.117 104 T CA -0.952 61.352 62.100 0.340 0.000 1.006 104 T CB 1.060 70.049 68.868 0.201 0.000 1.191 104 T HN 0.379 nan 8.240 nan 0.000 0.508 105 L N 0.493 121.746 121.223 0.050 0.000 2.191 105 L HA 0.080 4.422 4.340 0.002 0.000 0.212 105 L C 2.118 178.906 176.870 -0.135 0.000 1.103 105 L CA 1.948 56.663 54.840 -0.209 0.000 0.769 105 L CB -0.934 40.922 42.059 -0.338 0.000 0.908 105 L HN 0.776 nan 8.230 nan 0.000 0.438 106 E N -1.012 119.116 120.200 -0.119 0.000 2.076 106 E HA -0.053 4.298 4.350 0.002 0.000 0.190 106 E C -0.179 176.107 176.600 -0.524 0.000 0.979 106 E CA 1.261 57.479 56.400 -0.304 0.000 0.807 106 E CB -0.026 29.535 29.700 -0.233 0.000 0.761 106 E HN 0.577 nan 8.360 nan 0.000 0.454 107 Y N -1.045 119.286 120.300 0.052 0.000 2.662 107 Y HA 0.281 4.833 4.550 0.003 0.000 0.358 107 Y C -2.052 173.911 175.900 0.104 0.000 1.041 107 Y CA -2.240 55.897 58.100 0.061 0.000 1.184 107 Y CB 1.503 39.986 38.460 0.039 0.000 1.114 107 Y HN 0.042 nan 8.280 nan 0.000 0.650 108 P HA -0.115 nan 4.420 nan 0.000 0.225 108 P C 1.029 178.424 177.300 0.158 0.000 1.148 108 P CA 1.356 64.617 63.100 0.268 0.000 0.779 108 P CB 0.546 32.431 31.700 0.308 0.000 0.780 109 E N -0.720 119.564 120.200 0.140 0.000 2.385 109 E HA 0.226 4.577 4.350 0.002 0.000 0.194 109 E C 1.120 177.760 176.600 0.066 0.000 1.013 109 E CA 0.633 57.085 56.400 0.087 0.000 0.866 109 E CB 0.030 29.780 29.700 0.083 0.000 0.832 109 E HN 0.172 nan 8.360 nan 0.000 0.500 110 G N 1.687 110.546 108.800 0.098 0.000 2.453 110 G HA2 -0.020 3.942 3.960 0.002 0.000 0.665 110 G HA3 -0.020 3.942 3.960 0.002 0.000 0.665 110 G C -0.947 173.955 174.900 0.004 0.000 1.411 110 G CA -0.696 44.433 45.100 0.049 0.000 0.889 110 G HN 0.155 nan 8.290 nan 0.000 0.651 111 R N 0.561 121.034 120.500 -0.044 0.000 2.621 111 R HA 0.749 5.090 4.340 0.002 0.000 0.292 111 R C -1.603 174.627 176.300 -0.116 0.000 0.969 111 R CA -1.003 54.996 56.100 -0.169 0.000 0.887 111 R CB 2.223 32.379 30.300 -0.240 0.000 1.180 111 R HN 0.300 nan 8.270 nan 0.000 0.450 112 D N 3.376 123.697 120.400 -0.132 0.000 2.193 112 D HA 0.516 5.157 4.640 0.002 0.000 0.249 112 D C 0.044 176.286 176.300 -0.098 0.000 1.034 112 D CA -0.282 53.659 54.000 -0.098 0.000 0.902 112 D CB 1.741 42.492 40.800 -0.083 0.000 1.182 112 D HN 0.623 nan 8.370 nan 0.000 0.436 113 I N -2.297 118.215 120.570 -0.097 0.000 3.102 113 I HA 0.522 4.694 4.170 0.002 0.000 0.310 113 I C -1.467 174.587 176.117 -0.104 0.000 1.246 113 I CA -1.010 60.230 61.300 -0.100 0.000 0.979 113 I CB 2.166 40.095 38.000 -0.119 0.000 1.267 113 I HN 0.005 nan 8.210 nan 0.000 0.451 114 I N 4.829 125.340 120.570 -0.098 0.000 2.362 114 I HA 0.364 4.535 4.170 0.002 0.000 0.289 114 I C -0.694 175.357 176.117 -0.111 0.000 0.994 114 I CA -0.549 60.694 61.300 -0.095 0.000 1.158 114 I CB 1.608 39.550 38.000 -0.097 0.000 1.315 114 I HN 0.559 nan 8.210 nan 0.000 0.451 115 L N 8.049 129.207 121.223 -0.108 0.000 2.297 115 L HA 0.508 4.850 4.340 0.002 0.000 0.277 115 L C -0.374 176.474 176.870 -0.036 0.000 1.040 115 L CA -0.414 54.357 54.840 -0.115 0.000 0.867 115 L CB 0.673 42.582 42.059 -0.249 0.000 1.244 115 L HN 0.455 nan 8.230 nan 0.000 0.433 116 I N 2.853 123.406 120.570 -0.029 0.000 2.440 116 I HA 0.359 4.531 4.170 0.002 0.000 0.294 116 I C 0.290 176.470 176.117 0.106 0.000 0.995 116 I CA -0.113 61.192 61.300 0.009 0.000 1.306 116 I CB 1.865 39.832 38.000 -0.055 0.000 1.407 116 I HN 0.482 nan 8.210 nan 0.000 0.501 117 S N 4.274 120.014 115.700 0.067 0.000 2.537 117 S HA 0.396 4.868 4.470 0.002 0.000 0.270 117 S C -1.178 173.429 174.600 0.012 0.000 1.142 117 S CA -0.912 57.302 58.200 0.023 0.000 0.870 117 S CB 1.252 64.420 63.200 -0.053 0.000 1.112 117 S HN 0.575 nan 8.310 nan 0.000 0.466 118 N N 2.826 121.530 118.700 0.007 0.000 2.514 118 N HA 0.184 4.925 4.740 0.002 0.000 0.277 118 N C -1.171 174.307 175.510 -0.052 0.000 1.126 118 N CA -0.202 52.813 53.050 -0.059 0.000 0.978 118 N CB 1.108 39.553 38.487 -0.069 0.000 1.106 118 N HN 0.639 nan 8.380 nan 0.000 0.461 119 D N 1.721 122.076 120.400 -0.076 0.000 2.365 119 D HA 0.113 4.754 4.640 0.002 0.000 0.237 119 D C 0.882 177.226 176.300 0.074 0.000 1.190 119 D CA -0.443 53.560 54.000 0.005 0.000 0.867 119 D CB 0.463 41.277 40.800 0.024 0.000 1.050 119 D HN 0.382 nan 8.370 nan 0.000 0.491 120 I N 3.146 123.773 120.570 0.095 0.000 3.001 120 I HA -0.137 4.034 4.170 0.002 0.000 0.268 120 I C 1.851 178.044 176.117 0.128 0.000 1.267 120 I CA 1.196 62.552 61.300 0.093 0.000 1.472 120 I CB 0.005 38.048 38.000 0.072 0.000 1.089 120 I HN 0.524 nan 8.210 nan 0.000 0.468 121 T N -1.851 112.820 114.554 0.194 0.000 2.901 121 T HA -0.031 4.320 4.350 0.002 0.000 0.252 121 T C 0.844 175.656 174.700 0.187 0.000 1.035 121 T CA 0.060 62.272 62.100 0.186 0.000 1.142 121 T CB -0.804 68.205 68.868 0.235 0.000 0.869 121 T HN 0.121 nan 8.240 nan 0.000 0.442 122 F N 4.787 124.788 119.950 0.085 0.000 2.506 122 F HA 0.327 4.855 4.527 0.002 0.000 0.369 122 F C 0.768 176.587 175.800 0.031 0.000 1.114 122 F CA -1.127 56.908 58.000 0.059 0.000 1.121 122 F CB -0.324 38.711 39.000 0.059 0.000 1.104 122 F HN 0.111 nan 8.300 nan 0.000 0.564 123 R N 6.003 126.531 120.500 0.047 0.000 3.516 123 R HA -0.261 4.080 4.340 0.002 0.000 0.271 123 R C 0.794 177.158 176.300 0.107 0.000 1.098 123 R CA 0.969 57.109 56.100 0.068 0.000 0.732 123 R CB -2.581 27.800 30.300 0.135 0.000 1.152 123 R HN 1.119 nan 8.270 nan 0.000 0.455 124 I N -5.808 114.818 120.570 0.094 0.000 6.133 124 I HA -0.304 3.867 4.170 0.002 0.000 0.126 124 I C 0.628 176.792 176.117 0.079 0.000 1.819 124 I CA 1.523 62.871 61.300 0.080 0.000 2.061 124 I CB -1.864 36.172 38.000 0.061 0.000 3.437 124 I HN 0.554 nan 8.210 nan 0.000 0.177 125 G N 0.881 109.732 108.800 0.085 0.000 2.160 125 G HA2 -0.239 3.722 3.960 0.002 0.000 0.251 125 G HA3 -0.239 3.722 3.960 0.002 0.000 0.251 125 G C 0.364 175.252 174.900 -0.020 0.000 1.008 125 G CA 0.835 45.944 45.100 0.015 0.000 0.724 125 G HN 1.946 nan 8.290 nan 0.000 0.514 126 S N -0.933 114.796 115.700 0.049 0.000 2.608 126 S HA 0.684 5.155 4.470 0.002 0.000 0.261 126 S C -0.078 174.531 174.600 0.014 0.000 1.314 126 S CA -0.401 57.857 58.200 0.097 0.000 0.992 126 S CB 0.998 64.274 63.200 0.126 0.000 0.935 126 S HN 0.483 nan 8.310 nan 0.000 0.564 127 F N 0.822 120.796 119.950 0.039 0.000 2.361 127 F HA 0.624 5.152 4.527 0.002 0.000 0.364 127 F C 1.024 176.834 175.800 0.017 0.000 1.117 127 F CA -0.087 57.920 58.000 0.012 0.000 1.071 127 F CB 1.331 40.319 39.000 -0.021 0.000 1.188 127 F HN 0.947 nan 8.300 nan 0.000 0.464 128 G N 3.413 112.302 108.800 0.148 0.000 2.753 128 G HA2 0.418 4.379 3.960 0.002 0.000 0.285 128 G HA3 0.418 4.379 3.960 0.002 0.000 0.285 128 G C -2.005 172.947 174.900 0.088 0.000 1.344 128 G CA -1.311 43.854 45.100 0.108 0.000 1.050 128 G HN 0.308 nan 8.290 nan 0.000 0.532 129 P HA -0.065 nan 4.420 nan 0.000 0.216 129 P C 1.860 179.180 177.300 0.034 0.000 1.153 129 P CA 1.802 64.929 63.100 0.045 0.000 0.848 129 P CB -0.103 31.617 31.700 0.034 0.000 0.787 130 G N -0.190 108.620 108.800 0.017 0.000 2.471 130 G HA2 -0.197 3.764 3.960 0.002 0.000 0.219 130 G HA3 -0.197 3.764 3.960 0.002 0.000 0.219 130 G C 1.373 176.246 174.900 -0.044 0.000 1.125 130 G CA 0.551 45.641 45.100 -0.016 0.000 0.775 130 G HN 0.248 nan 8.290 nan 0.000 0.548 131 E N 0.656 120.833 120.200 -0.038 0.000 2.102 131 E HA 0.040 4.392 4.350 0.002 0.000 0.190 131 E C 2.094 178.736 176.600 0.069 0.000 0.971 131 E CA 0.694 57.053 56.400 -0.069 0.000 0.821 131 E CB -0.046 29.548 29.700 -0.176 0.000 0.777 131 E HN 0.191 nan 8.360 nan 0.000 0.460 132 D N 0.355 120.841 120.400 0.144 0.000 2.097 132 D HA -0.146 4.496 4.640 0.002 0.000 0.195 132 D C 1.952 178.326 176.300 0.123 0.000 0.989 132 D CA 0.706 54.803 54.000 0.162 0.000 0.827 132 D CB -0.273 40.585 40.800 0.097 0.000 0.966 132 D HN 0.064 nan 8.370 nan 0.000 0.456 133 L N 0.566 121.831 121.223 0.070 0.000 2.046 133 L HA -0.122 4.219 4.340 0.002 0.000 0.208 133 L C 2.152 179.044 176.870 0.037 0.000 1.077 133 L CA 1.212 56.078 54.840 0.043 0.000 0.747 133 L CB -0.573 41.497 42.059 0.019 0.000 0.896 133 L HN 0.001 nan 8.230 nan 0.000 0.432 134 L N -1.491 119.746 121.223 0.023 0.000 2.017 134 L HA -0.237 4.104 4.340 0.002 0.000 0.208 134 L C 2.384 179.260 176.870 0.010 0.000 1.073 134 L CA 1.937 56.771 54.840 -0.010 0.000 0.745 134 L CB -1.103 40.925 42.059 -0.052 0.000 0.894 134 L HN 0.453 nan 8.230 nan 0.000 0.432 135 Y N -0.502 119.766 120.300 -0.054 0.000 2.165 135 Y HA -0.297 4.255 4.550 0.002 0.000 0.286 135 Y C 2.391 178.250 175.900 -0.068 0.000 1.155 135 Y CA 2.200 60.262 58.100 -0.064 0.000 1.164 135 Y CB -0.404 38.038 38.460 -0.029 0.000 0.978 135 Y HN 0.299 nan 8.280 nan 0.000 0.513 136 L N 0.326 121.657 121.223 0.180 0.000 1.994 136 L HA -0.199 4.142 4.340 0.002 0.000 0.208 136 L C 2.380 179.240 176.870 -0.016 0.000 1.071 136 L CA 1.733 56.627 54.840 0.090 0.000 0.745 136 L CB -0.537 41.570 42.059 0.080 0.000 0.892 136 L HN 0.025 nan 8.230 nan 0.000 0.431 137 R N -0.043 120.443 120.500 -0.023 0.000 2.115 137 R HA 0.006 4.348 4.340 0.002 0.000 0.230 137 R C 2.118 178.373 176.300 -0.075 0.000 1.111 137 R CA 1.211 57.286 56.100 -0.043 0.000 0.976 137 R CB -1.257 29.023 30.300 -0.034 0.000 0.870 137 R HN 0.563 nan 8.270 nan 0.000 0.445 138 A N 0.064 122.816 122.820 -0.113 0.000 1.903 138 A HA -0.010 4.312 4.320 0.002 0.000 0.213 138 A C 2.334 179.815 177.584 -0.172 0.000 1.185 138 A CA 1.142 53.094 52.037 -0.142 0.000 0.628 138 A CB -0.291 18.606 19.000 -0.171 0.000 0.830 138 A HN 0.211 nan 8.150 nan 0.000 0.446 139 S N -0.068 115.486 115.700 -0.242 0.000 2.368 139 S HA -0.168 4.303 4.470 0.002 0.000 0.225 139 S C 1.825 176.352 174.600 -0.121 0.000 1.030 139 S CA 1.637 59.696 58.200 -0.235 0.000 0.999 139 S CB -0.271 62.745 63.200 -0.307 0.000 0.844 139 S HN 0.694 nan 8.310 nan 0.000 0.459 140 E N 0.508 120.656 120.200 -0.086 0.000 2.150 140 E HA -0.112 4.240 4.350 0.002 0.000 0.193 140 E C 2.034 178.601 176.600 -0.055 0.000 0.985 140 E CA 0.749 57.116 56.400 -0.055 0.000 0.814 140 E CB -0.168 29.509 29.700 -0.038 0.000 0.752 140 E HN 0.302 nan 8.360 nan 0.000 0.466 141 L N 0.603 121.788 121.223 -0.065 0.000 2.056 141 L HA -0.054 4.287 4.340 0.002 0.000 0.207 141 L C 2.135 178.969 176.870 -0.060 0.000 1.078 141 L CA 1.903 56.709 54.840 -0.058 0.000 0.749 141 L CB -0.463 41.561 42.059 -0.059 0.000 0.901 141 L HN 0.016 nan 8.230 nan 0.000 0.433 142 A N -0.436 122.340 122.820 -0.074 0.000 1.898 142 A HA -0.192 4.130 4.320 0.002 0.000 0.216 142 A C 2.530 180.080 177.584 -0.057 0.000 1.181 142 A CA 1.521 53.516 52.037 -0.069 0.000 0.620 142 A CB -0.664 18.286 19.000 -0.083 0.000 0.819 142 A HN 0.465 nan 8.150 nan 0.000 0.442 143 R N -0.486 119.981 120.500 -0.055 0.000 2.105 143 R HA -0.150 4.191 4.340 0.002 0.000 0.239 143 R C 2.308 178.585 176.300 -0.038 0.000 1.135 143 R CA 1.381 57.456 56.100 -0.043 0.000 0.967 143 R CB -0.347 29.930 30.300 -0.038 0.000 0.861 143 R HN 0.509 nan 8.270 nan 0.000 0.442 144 A N 0.762 123.559 122.820 -0.039 0.000 1.897 144 A HA -0.107 4.215 4.320 0.002 0.000 0.215 144 A C 1.862 179.425 177.584 -0.034 0.000 1.181 144 A CA 1.074 53.090 52.037 -0.034 0.000 0.620 144 A CB -0.180 18.801 19.000 -0.032 0.000 0.821 144 A HN 0.210 nan 8.150 nan 0.000 0.443 145 E N -1.223 118.954 120.200 -0.039 0.000 2.158 145 E HA 0.080 4.432 4.350 0.002 0.000 0.191 145 E C 1.439 178.013 176.600 -0.042 0.000 0.982 145 E CA 0.917 57.292 56.400 -0.041 0.000 0.823 145 E CB -0.449 29.224 29.700 -0.045 0.000 0.766 145 E HN 0.850 nan 8.360 nan 0.000 0.468 146 G N 1.811 110.585 108.800 -0.043 0.000 2.137 146 G HA2 -0.271 3.690 3.960 0.002 0.000 0.237 146 G HA3 -0.271 3.690 3.960 0.002 0.000 0.237 146 G C 0.394 175.267 174.900 -0.046 0.000 1.002 146 G CA 0.489 45.564 45.100 -0.042 0.000 0.702 146 G HN 0.342 nan 8.290 nan 0.000 0.515 147 I N -2.096 118.443 120.570 -0.052 0.000 2.566 147 I HA 0.745 4.917 4.170 0.002 0.000 0.303 147 I C -2.113 173.977 176.117 -0.046 0.000 0.983 147 I CA -3.165 58.100 61.300 -0.058 0.000 1.235 147 I CB 1.009 38.967 38.000 -0.070 0.000 1.386 147 I HN -0.149 nan 8.210 nan 0.000 0.494 148 P HA 0.000 nan 4.420 nan 0.000 0.264 148 P C -1.015 176.269 177.300 -0.026 0.000 1.183 148 P CA -0.035 63.058 63.100 -0.012 0.000 0.763 148 P CB 0.353 32.060 31.700 0.012 0.000 0.807 149 R N 3.890 124.382 120.500 -0.013 0.000 2.215 149 R HA 0.332 4.674 4.340 0.002 0.000 0.337 149 R C -1.478 174.830 176.300 0.014 0.000 1.010 149 R CA -0.540 55.540 56.100 -0.033 0.000 0.871 149 R CB 0.435 30.698 30.300 -0.061 0.000 1.134 149 R HN 0.241 nan 8.270 nan 0.000 0.477 150 V N 6.412 126.328 119.914 0.003 0.000 2.347 150 V HA 0.224 4.346 4.120 0.002 0.000 0.280 150 V C -0.737 175.404 176.094 0.079 0.000 1.021 150 V CA -0.794 61.532 62.300 0.043 0.000 0.847 150 V CB 0.986 32.821 31.823 0.020 0.000 0.990 150 V HN 0.555 nan 8.190 nan 0.000 0.444 151 Y N 6.278 126.560 120.300 -0.029 0.000 2.352 151 Y HA 0.680 5.232 4.550 0.002 0.000 0.339 151 Y C -0.656 175.223 175.900 -0.035 0.000 0.992 151 Y CA -1.606 56.489 58.100 -0.009 0.000 1.100 151 Y CB 1.527 40.041 38.460 0.091 0.000 1.192 151 Y HN 0.535 nan 8.280 nan 0.000 0.458 152 L N 6.969 127.982 121.223 -0.349 0.000 2.277 152 L HA 0.697 5.039 4.340 0.002 0.000 0.284 152 L C -0.096 176.408 176.870 -0.611 0.000 1.028 152 L CA -0.975 53.573 54.840 -0.486 0.000 0.835 152 L CB 0.981 42.734 42.059 -0.511 0.000 1.215 152 L HN 0.796 nan 8.230 nan 0.000 0.425 153 A N 3.508 125.925 122.820 -0.673 0.000 2.289 153 A HA 0.821 5.143 4.320 0.002 0.000 0.298 153 A C 0.325 177.802 177.584 -0.178 0.000 1.208 153 A CA -0.159 51.595 52.037 -0.472 0.000 0.845 153 A CB 0.827 19.572 19.000 -0.425 0.000 1.125 153 A HN 0.837 nan 8.150 nan 0.000 0.517 154 A N 4.095 126.869 122.820 -0.078 0.000 2.913 154 A HA 0.492 4.813 4.320 0.002 0.000 0.284 154 A C -0.642 176.945 177.584 0.004 0.000 1.273 154 A CA -0.530 51.488 52.037 -0.031 0.000 0.899 154 A CB 0.047 19.047 19.000 0.001 0.000 1.444 154 A HN 1.077 nan 8.150 nan 0.000 0.586 155 N N -1.109 117.617 118.700 0.044 0.000 2.571 155 N HA 0.448 5.189 4.740 0.002 0.000 0.273 155 N C -0.312 175.272 175.510 0.123 0.000 1.340 155 N CA -0.636 52.474 53.050 0.101 0.000 0.789 155 N CB 1.747 40.383 38.487 0.248 0.000 1.514 155 N HN -0.046 nan 8.380 nan 0.000 0.499 156 S N -0.830 114.959 115.700 0.149 0.000 2.593 156 S HA 0.404 4.876 4.470 0.002 0.000 0.236 156 S C 0.852 175.554 174.600 0.171 0.000 0.991 156 S CA 0.125 58.407 58.200 0.136 0.000 0.963 156 S CB -0.410 62.853 63.200 0.105 0.000 0.865 156 S HN 1.104 nan 8.310 nan 0.000 0.488 157 G N 2.038 110.999 108.800 0.269 0.000 2.645 157 G HA2 0.016 3.977 3.960 0.002 0.000 0.239 157 G HA3 0.016 3.977 3.960 0.002 0.000 0.239 157 G C -0.001 175.056 174.900 0.260 0.000 1.331 157 G CA -0.696 44.536 45.100 0.219 0.000 0.890 157 G HN 0.931 nan 8.290 nan 0.000 0.572 158 A N -0.054 122.833 122.820 0.112 0.000 2.531 158 A HA 0.537 4.858 4.320 0.002 0.000 0.236 158 A C 1.058 178.711 177.584 0.116 0.000 1.062 158 A CA 1.271 53.374 52.037 0.110 0.000 0.760 158 A CB 0.123 19.138 19.000 0.025 0.000 0.995 158 A HN 1.025 nan 8.150 nan 0.000 0.501 159 R N 0.586 121.158 120.500 0.120 0.000 2.643 159 R HA 0.413 4.755 4.340 0.002 0.000 0.270 159 R C -0.875 175.461 176.300 0.061 0.000 1.061 159 R CA 0.218 56.374 56.100 0.094 0.000 1.107 159 R CB 0.177 30.536 30.300 0.098 0.000 0.999 159 R HN 0.646 nan 8.270 nan 0.000 0.460 160 I N 1.412 122.013 120.570 0.051 0.000 2.530 160 I HA 0.553 4.724 4.170 0.002 0.000 0.297 160 I C 0.103 176.235 176.117 0.025 0.000 1.011 160 I CA -0.223 61.096 61.300 0.032 0.000 1.107 160 I CB 2.466 40.485 38.000 0.031 0.000 1.285 160 I HN 0.734 nan 8.210 nan 0.000 0.436 161 G N 5.583 114.389 108.800 0.011 0.000 2.733 161 G HA2 0.639 4.601 3.960 0.002 0.000 0.297 161 G HA3 0.639 4.601 3.960 0.002 0.000 0.297 161 G C -1.763 173.128 174.900 -0.015 0.000 1.452 161 G CA -0.516 44.586 45.100 0.003 0.000 0.940 161 G HN 0.414 nan 8.290 nan 0.000 0.547 162 L N 0.856 122.064 121.223 -0.025 0.000 2.319 162 L HA 0.763 5.104 4.340 0.002 0.000 0.267 162 L C 0.823 177.661 176.870 -0.053 0.000 1.011 162 L CA -1.261 53.550 54.840 -0.049 0.000 0.818 162 L CB 2.269 44.291 42.059 -0.062 0.000 1.316 162 L HN 0.715 nan 8.230 nan 0.000 0.432 163 A N 1.098 123.877 122.820 -0.069 0.000 2.444 163 A HA 0.135 4.457 4.320 0.002 0.000 0.287 163 A C 0.844 178.374 177.584 -0.090 0.000 1.195 163 A CA -0.099 51.901 52.037 -0.062 0.000 0.858 163 A CB -0.112 18.854 19.000 -0.058 0.000 1.117 163 A HN 0.820 nan 8.150 nan 0.000 0.521 164 E N 1.705 121.854 120.200 -0.086 0.000 2.285 164 E HA -0.145 4.206 4.350 0.002 0.000 0.194 164 E C 1.656 178.146 176.600 -0.183 0.000 0.997 164 E CA 0.962 57.261 56.400 -0.168 0.000 0.845 164 E CB 0.206 29.858 29.700 -0.081 0.000 0.782 164 E HN 0.972 nan 8.360 nan 0.000 0.491 165 E N 1.292 121.463 120.200 -0.048 0.000 2.047 165 E HA -0.174 4.178 4.350 0.002 0.000 0.191 165 E C 1.949 178.565 176.600 0.026 0.000 0.987 165 E CA 0.882 57.292 56.400 0.017 0.000 0.799 165 E CB -0.409 29.309 29.700 0.030 0.000 0.752 165 E HN 0.181 nan 8.360 nan 0.000 0.449 166 I N 1.575 122.152 120.570 0.011 0.000 2.546 166 I HA -0.089 4.082 4.170 0.002 0.000 0.255 166 I C 2.499 178.691 176.117 0.126 0.000 1.163 166 I CA 0.829 62.164 61.300 0.059 0.000 1.457 166 I CB -0.994 37.014 38.000 0.014 0.000 1.092 166 I HN 0.144 nan 8.210 nan 0.000 0.434 167 K N 0.594 120.991 120.400 -0.005 0.000 2.026 167 K HA -0.169 4.152 4.320 0.002 0.000 0.208 167 K C 1.697 178.398 176.600 0.169 0.000 1.048 167 K CA 1.196 57.514 56.287 0.052 0.000 0.929 167 K CB 0.002 32.351 32.500 -0.251 0.000 0.713 167 K HN 0.371 nan 8.250 nan 0.000 0.439 168 H N -0.334 118.834 119.070 0.163 0.000 2.533 168 H HA 0.032 4.590 4.556 0.002 0.000 0.271 168 H C 1.378 176.733 175.328 0.044 0.000 1.000 168 H CA 0.801 56.896 56.048 0.079 0.000 1.149 168 H CB 0.158 29.952 29.762 0.053 0.000 1.375 168 H HN 0.455 nan 8.280 nan 0.000 0.582 169 M N -1.579 118.118 119.600 0.161 0.000 2.312 169 M HA 0.174 4.655 4.480 0.002 0.000 0.260 169 M C 0.370 176.692 176.300 0.036 0.000 1.253 169 M CA -0.349 55.006 55.300 0.092 0.000 1.114 169 M CB 0.208 32.875 32.600 0.111 0.000 1.660 169 M HN -0.099 nan 8.290 nan 0.000 0.581 170 F N 3.182 123.119 119.950 -0.021 0.000 2.628 170 F HA 0.364 4.893 4.527 0.002 0.000 0.362 170 F C -0.293 175.413 175.800 -0.157 0.000 1.148 170 F CA -0.332 57.625 58.000 -0.071 0.000 1.352 170 F CB 0.230 39.194 39.000 -0.060 0.000 1.081 170 F HN 0.192 nan 8.300 nan 0.000 0.605 171 Q N 2.965 122.556 119.800 -0.349 0.000 2.348 171 Q HA 0.630 4.972 4.340 0.002 0.000 0.271 171 Q C -1.043 174.619 176.000 -0.564 0.000 1.067 171 Q CA -1.070 54.330 55.803 -0.672 0.000 0.839 171 Q CB 2.359 30.378 28.738 -1.199 0.000 1.354 171 Q HN 0.676 nan 8.270 nan 0.000 0.447 172 V N 0.499 120.145 119.914 -0.447 0.000 2.459 172 V HA 0.701 4.822 4.120 0.002 0.000 0.295 172 V C -0.404 175.505 176.094 -0.308 0.000 1.029 172 V CA -0.965 61.085 62.300 -0.416 0.000 0.874 172 V CB 1.514 32.945 31.823 -0.654 0.000 0.985 172 V HN 0.814 nan 8.190 nan 0.000 0.438 173 A N 4.673 127.289 122.820 -0.340 0.000 2.322 173 A HA 0.647 4.968 4.320 0.002 0.000 0.327 173 A C -0.956 176.373 177.584 -0.424 0.000 1.394 173 A CA -0.483 51.373 52.037 -0.302 0.000 0.921 173 A CB 0.060 18.632 19.000 -0.715 0.000 1.153 173 A HN 0.802 nan 8.150 nan 0.000 0.523 174 W N 2.130 123.368 121.300 -0.103 0.000 2.261 174 W HA 0.369 5.031 4.660 0.002 0.000 0.323 174 W C 1.152 177.624 176.519 -0.078 0.000 1.243 174 W CA -0.444 56.852 57.345 -0.082 0.000 1.210 174 W CB 0.845 30.270 29.460 -0.058 0.000 1.149 174 W HN 0.408 nan 8.180 nan 0.000 0.562 175 V N 0.910 120.926 119.914 0.169 0.000 2.568 175 V HA -0.202 3.920 4.120 0.002 0.000 0.253 175 V C 0.243 176.397 176.094 0.100 0.000 1.072 175 V CA 1.756 64.113 62.300 0.096 0.000 1.084 175 V CB -0.676 31.196 31.823 0.081 0.000 0.676 175 V HN 0.517 nan 8.190 nan 0.000 0.469 176 D N -0.326 120.153 120.400 0.133 0.000 2.686 176 D HA 0.248 4.890 4.640 0.002 0.000 0.249 176 D C -2.735 173.596 176.300 0.052 0.000 1.260 176 D CA -1.767 52.275 54.000 0.071 0.000 0.910 176 D CB 2.437 43.259 40.800 0.038 0.000 1.323 176 D HN 0.090 nan 8.370 nan 0.000 0.561 177 P HA 0.190 nan 4.420 nan 0.000 0.225 177 P C 0.164 177.402 177.300 -0.102 0.000 1.768 177 P CA 0.144 63.236 63.100 -0.014 0.000 0.943 177 P CB 0.831 32.558 31.700 0.045 0.000 1.936 178 E N 0.288 120.393 120.200 -0.158 0.000 3.203 178 E HA 0.064 4.415 4.350 0.002 0.000 0.200 178 E C -0.275 176.196 176.600 -0.215 0.000 1.089 178 E CA 0.339 56.649 56.400 -0.151 0.000 1.430 178 E CB 0.305 29.957 29.700 -0.080 0.000 1.328 178 E HN 0.120 nan 8.360 nan 0.000 0.580 179 D N 0.040 120.289 120.400 -0.251 0.000 2.826 179 D HA -0.069 4.572 4.640 0.002 0.000 0.200 179 D C -2.140 173.945 176.300 -0.358 0.000 1.010 179 D CA 0.373 54.240 54.000 -0.222 0.000 0.832 179 D CB -0.616 40.132 40.800 -0.088 0.000 0.953 179 D HN 0.204 nan 8.370 nan 0.000 0.432 180 P HA -0.129 nan 4.420 nan 0.000 0.223 180 P C 0.578 177.737 177.300 -0.234 0.000 1.151 180 P CA 1.003 63.686 63.100 -0.695 0.000 0.787 180 P CB 0.185 31.398 31.700 -0.812 0.000 0.788 181 H N 0.559 119.637 119.070 0.012 0.000 2.607 181 H HA 0.241 4.799 4.556 0.002 0.000 0.367 181 H C 1.107 176.478 175.328 0.073 0.000 1.181 181 H CA 0.123 56.206 56.048 0.057 0.000 1.402 181 H CB 0.647 30.422 29.762 0.022 0.000 1.474 181 H HN 0.002 nan 8.280 nan 0.000 0.596 182 K N -0.838 119.680 120.400 0.197 0.000 3.596 182 K HA -0.140 4.182 4.320 0.002 0.000 0.250 182 K C 0.733 177.406 176.600 0.122 0.000 1.034 182 K CA 0.781 57.145 56.287 0.129 0.000 1.051 182 K CB -1.120 31.441 32.500 0.102 0.000 1.288 182 K HN 1.114 nan 8.250 nan 0.000 0.574 183 G N 0.651 109.548 108.800 0.161 0.000 2.352 183 G HA2 0.066 4.027 3.960 0.002 0.000 0.324 183 G HA3 0.066 4.027 3.960 0.002 0.000 0.324 183 G C -1.595 173.383 174.900 0.130 0.000 1.249 183 G CA -0.384 44.795 45.100 0.132 0.000 1.053 183 G HN 0.399 nan 8.290 nan 0.000 0.492 184 I N -0.301 120.272 120.570 0.005 0.000 2.582 184 I HA 0.637 4.809 4.170 0.002 0.000 0.292 184 I C 0.864 176.913 176.117 -0.114 0.000 1.066 184 I CA -1.129 60.085 61.300 -0.144 0.000 1.053 184 I CB 1.770 39.593 38.000 -0.294 0.000 1.241 184 I HN 0.684 nan 8.210 nan 0.000 0.421 185 K N 5.152 125.433 120.400 -0.199 0.000 2.067 185 K HA 0.104 4.426 4.320 0.002 0.000 0.203 185 K C -0.862 175.726 176.600 -0.019 0.000 1.048 185 K CA 1.420 57.621 56.287 -0.142 0.000 0.954 185 K CB 0.115 32.438 32.500 -0.295 0.000 0.737 185 K HN 0.678 nan 8.250 nan 0.000 0.444 186 Y N -2.747 117.529 120.300 -0.039 0.000 2.891 186 Y HA 0.405 4.957 4.550 0.002 0.000 0.361 186 Y C -1.670 174.228 175.900 -0.003 0.000 1.255 186 Y CA -1.586 56.503 58.100 -0.019 0.000 1.103 186 Y CB 0.628 39.090 38.460 0.004 0.000 1.454 186 Y HN -0.308 nan 8.280 nan 0.000 0.449 187 L N 2.088 123.500 121.223 0.315 0.000 2.334 187 L HA 0.683 5.025 4.340 0.002 0.000 0.273 187 L C -0.986 176.159 176.870 0.457 0.000 1.013 187 L CA -1.116 53.879 54.840 0.258 0.000 0.816 187 L CB 1.908 44.049 42.059 0.138 0.000 1.278 187 L HN 0.847 nan 8.230 nan 0.000 0.431 188 Y N 0.676 121.140 120.300 0.272 0.000 2.669 188 Y HA 0.811 5.362 4.550 0.002 0.000 0.335 188 Y C -1.584 174.441 175.900 0.208 0.000 1.116 188 Y CA -1.389 56.850 58.100 0.231 0.000 1.081 188 Y CB 1.388 40.005 38.460 0.262 0.000 1.297 188 Y HN 0.269 nan 8.280 nan 0.000 0.484 189 L N 2.166 123.636 121.223 0.412 0.000 2.386 189 L HA 0.490 4.831 4.340 0.002 0.000 0.271 189 L C -0.199 176.949 176.870 0.463 0.000 0.993 189 L CA -1.165 53.870 54.840 0.325 0.000 0.819 189 L CB 2.560 44.794 42.059 0.293 0.000 1.294 189 L HN 0.949 nan 8.230 nan 0.000 0.414 190 T N -1.056 113.711 114.554 0.355 0.000 2.916 190 T HA 0.147 4.498 4.350 0.002 0.000 0.303 190 T C -1.856 173.062 174.700 0.363 0.000 1.025 190 T CA -1.241 61.070 62.100 0.351 0.000 1.142 190 T CB 1.009 70.017 68.868 0.233 0.000 0.947 190 T HN 0.356 nan 8.240 nan 0.000 0.544 191 P HA -0.189 nan 4.420 nan 0.000 0.218 191 P C 1.642 179.072 177.300 0.218 0.000 1.146 191 P CA 1.078 64.437 63.100 0.431 0.000 0.820 191 P CB 0.046 32.019 31.700 0.455 0.000 0.778 192 Q N -0.236 119.666 119.800 0.169 0.000 2.050 192 Q HA -0.211 4.131 4.340 0.002 0.000 0.202 192 Q C 1.432 177.480 176.000 0.081 0.000 0.980 192 Q CA 1.757 57.621 55.803 0.101 0.000 0.840 192 Q CB -0.418 28.373 28.738 0.090 0.000 0.898 192 Q HN 0.175 nan 8.270 nan 0.000 0.424 193 D N -0.603 119.867 120.400 0.116 0.000 2.149 193 D HA -0.135 4.506 4.640 0.002 0.000 0.201 193 D C 1.627 177.988 176.300 0.100 0.000 0.972 193 D CA 0.734 54.796 54.000 0.103 0.000 0.835 193 D CB -0.321 40.553 40.800 0.124 0.000 0.966 193 D HN 0.322 nan 8.370 nan 0.000 0.476 194 Y N 1.795 122.077 120.300 -0.028 0.000 2.181 194 Y HA -0.197 4.354 4.550 0.002 0.000 0.288 194 Y C 2.271 178.077 175.900 -0.157 0.000 1.146 194 Y CA 1.485 59.495 58.100 -0.149 0.000 1.164 194 Y CB -0.560 37.626 38.460 -0.456 0.000 0.982 194 Y HN -0.125 nan 8.280 nan 0.000 0.515 195 T N 0.536 114.947 114.554 -0.240 0.000 2.821 195 T HA -0.110 4.241 4.350 0.002 0.000 0.267 195 T C 1.987 176.582 174.700 -0.175 0.000 1.046 195 T CA 1.414 63.362 62.100 -0.253 0.000 1.139 195 T CB -0.130 68.669 68.868 -0.116 0.000 0.871 195 T HN 0.290 nan 8.240 nan 0.000 0.454 196 R N 0.809 121.254 120.500 -0.091 0.000 2.073 196 R HA -0.044 4.298 4.340 0.002 0.000 0.234 196 R C 1.731 177.989 176.300 -0.070 0.000 1.134 196 R CA 1.261 57.328 56.100 -0.055 0.000 0.952 196 R CB -0.518 29.776 30.300 -0.009 0.000 0.850 196 R HN 0.473 nan 8.270 nan 0.000 0.433 197 I N -0.167 120.356 120.570 -0.078 0.000 3.607 197 I HA 0.159 4.330 4.170 0.002 0.000 0.303 197 I C 0.369 176.405 176.117 -0.135 0.000 1.261 197 I CA -0.089 61.169 61.300 -0.070 0.000 1.215 197 I CB -0.360 37.632 38.000 -0.013 0.000 1.043 197 I HN -0.031 nan 8.210 nan 0.000 0.465 198 S N 0.930 116.524 115.700 -0.177 0.000 3.927 198 S HA -0.417 4.055 4.470 0.002 0.000 0.618 198 S C 1.253 175.673 174.600 -0.299 0.000 2.201 198 S CA 1.872 59.952 58.200 -0.200 0.000 4.160 198 S CB -1.472 61.660 63.200 -0.114 0.000 0.266 198 S HN 0.869 nan 8.310 nan 0.000 0.760 199 S N -1.009 114.573 115.700 -0.198 0.000 2.769 199 S HA -0.217 4.254 4.470 0.002 0.000 0.264 199 S C 0.738 175.303 174.600 -0.058 0.000 1.288 199 S CA 1.274 59.413 58.200 -0.102 0.000 1.378 199 S CB -1.256 61.891 63.200 -0.089 0.000 1.702 199 S HN 0.549 nan 8.310 nan 0.000 0.656 200 L N 1.405 122.595 121.223 -0.055 0.000 2.492 200 L HA 0.146 4.488 4.340 0.002 0.000 0.223 200 L C 1.440 178.315 176.870 0.007 0.000 1.132 200 L CA 0.744 55.571 54.840 -0.021 0.000 0.850 200 L CB -0.216 41.831 42.059 -0.020 0.000 0.966 200 L HN 0.499 nan 8.230 nan 0.000 0.454 201 N N -0.371 118.343 118.700 0.024 0.000 2.878 201 N HA -0.211 4.530 4.740 0.002 0.000 0.247 201 N C 1.368 176.939 175.510 0.101 0.000 1.021 201 N CA 0.961 54.060 53.050 0.080 0.000 0.873 201 N CB -0.789 37.743 38.487 0.075 0.000 1.128 201 N HN 0.481 nan 8.380 nan 0.000 0.571 202 S N -1.360 114.381 115.700 0.069 0.000 2.447 202 S HA 0.078 4.550 4.470 0.002 0.000 0.233 202 S C 1.020 175.662 174.600 0.070 0.000 1.006 202 S CA 1.207 59.438 58.200 0.052 0.000 0.957 202 S CB 0.023 63.243 63.200 0.034 0.000 0.773 202 S HN 0.449 nan 8.310 nan 0.000 0.507 203 V N -1.929 118.078 119.914 0.154 0.000 3.007 203 V HA 0.592 4.713 4.120 0.002 0.000 0.311 203 V C -1.235 175.084 176.094 0.375 0.000 1.120 203 V CA -1.193 61.222 62.300 0.191 0.000 0.980 203 V CB 1.495 33.430 31.823 0.187 0.000 1.033 203 V HN 0.372 nan 8.190 nan 0.000 0.429 204 H N 1.236 120.355 119.070 0.081 0.000 2.511 204 H HA 0.691 5.248 4.556 0.002 0.000 0.328 204 H C -1.143 174.203 175.328 0.030 0.000 1.044 204 H CA -0.537 55.553 56.048 0.070 0.000 1.212 204 H CB 1.747 31.533 29.762 0.040 0.000 1.428 204 H HN 0.869 nan 8.280 nan 0.000 0.483 205 C N 3.339 122.685 119.300 0.076 0.000 2.634 205 C HA 0.336 4.797 4.460 0.002 0.000 0.313 205 C C -0.303 174.669 174.990 -0.030 0.000 1.198 205 C CA -0.884 58.096 59.018 -0.064 0.000 1.605 205 C CB 1.888 29.392 27.740 -0.393 0.000 2.196 205 C HN 0.693 nan 8.230 nan 0.000 0.486 206 K N 1.548 121.924 120.400 -0.040 0.000 2.307 206 K HA 0.294 4.615 4.320 0.002 0.000 0.263 206 K C -0.705 175.818 176.600 -0.127 0.000 0.973 206 K CA -0.309 55.947 56.287 -0.053 0.000 0.846 206 K CB 1.041 33.483 32.500 -0.097 0.000 1.100 206 K HN 0.925 nan 8.250 nan 0.000 0.438 207 H N 1.786 120.746 119.070 -0.184 0.000 2.886 207 H HA 0.215 4.773 4.556 0.002 0.000 0.329 207 H C -0.983 174.116 175.328 -0.382 0.000 1.044 207 H CA 0.237 55.992 56.048 -0.488 0.000 1.456 207 H CB 0.500 30.045 29.762 -0.362 0.000 1.464 207 H HN 0.112 nan 8.280 nan 0.000 0.573 208 V N 5.243 124.435 119.914 -1.204 0.000 2.638 208 V HA 0.150 4.271 4.120 0.002 0.000 0.306 208 V C -0.540 175.062 176.094 -0.820 0.000 1.052 208 V CA -0.916 60.887 62.300 -0.828 0.000 0.885 208 V CB 1.766 33.249 31.823 -0.567 0.000 0.999 208 V HN 0.889 nan 8.190 nan 0.000 0.424 209 E N 3.969 123.862 120.200 -0.512 0.000 2.035 209 E HA 0.477 4.828 4.350 0.002 0.000 0.271 209 E C -0.719 175.765 176.600 -0.193 0.000 0.953 209 E CA -0.159 56.073 56.400 -0.280 0.000 0.777 209 E CB 0.679 30.295 29.700 -0.140 0.000 1.104 209 E HN 0.527 nan 8.360 nan 0.000 0.408 210 E N 3.534 123.629 120.200 -0.174 0.000 2.272 210 E HA 0.224 4.575 4.350 0.002 0.000 0.269 210 E C -0.276 176.277 176.600 -0.077 0.000 0.877 210 E CA -0.263 56.072 56.400 -0.109 0.000 0.755 210 E CB 1.766 31.416 29.700 -0.084 0.000 1.192 210 E HN 0.723 nan 8.360 nan 0.000 0.422 211 D N 2.708 123.082 120.400 -0.043 0.000 4.493 211 D HA -0.258 4.383 4.640 0.002 0.000 0.184 211 D C 0.797 177.083 176.300 -0.023 0.000 0.799 211 D CA 2.943 56.929 54.000 -0.024 0.000 1.795 211 D CB -1.381 39.409 40.800 -0.017 0.000 1.062 211 D HN 0.697 nan 8.370 nan 0.000 0.445 212 G N 0.225 109.010 108.800 -0.025 0.000 3.934 212 G HA2 0.195 4.157 3.960 0.002 0.000 0.212 212 G HA3 0.195 4.157 3.960 0.002 0.000 0.212 212 G C -0.396 174.495 174.900 -0.015 0.000 1.126 212 G CA 0.462 45.552 45.100 -0.016 0.000 0.877 212 G HN 0.502 nan 8.290 nan 0.000 0.556 213 E N 1.175 121.356 120.200 -0.032 0.000 2.204 213 E HA 0.563 4.915 4.350 0.002 0.000 0.276 213 E C -0.738 175.820 176.600 -0.070 0.000 0.974 213 E CA -0.352 56.032 56.400 -0.027 0.000 0.815 213 E CB 1.458 31.146 29.700 -0.019 0.000 1.119 213 E HN -0.039 nan 8.360 nan 0.000 0.393 214 S N 3.428 119.118 115.700 -0.017 0.000 2.523 214 S HA 0.304 4.776 4.470 0.002 0.000 0.275 214 S C -0.363 174.185 174.600 -0.086 0.000 1.281 214 S CA -0.543 57.649 58.200 -0.014 0.000 1.050 214 S CB 0.317 63.632 63.200 0.192 0.000 0.937 214 S HN 0.388 nan 8.310 nan 0.000 0.492 215 R N 2.208 122.517 120.500 -0.319 0.000 2.740 215 R HA 0.364 4.705 4.340 0.002 0.000 0.273 215 R C -1.961 174.070 176.300 -0.449 0.000 0.998 215 R CA -0.796 55.142 56.100 -0.271 0.000 0.900 215 R CB 0.733 30.734 30.300 -0.500 0.000 1.223 215 R HN 0.503 nan 8.270 nan 0.000 0.466 216 Y N 0.807 121.112 120.300 0.009 0.000 2.717 216 Y HA 0.211 4.763 4.550 0.002 0.000 0.329 216 Y C 0.297 176.153 175.900 -0.072 0.000 1.017 216 Y CA -0.864 57.168 58.100 -0.112 0.000 1.275 216 Y CB 1.586 39.876 38.460 -0.284 0.000 1.109 216 Y HN 0.264 nan 8.280 nan 0.000 0.511 217 V N 5.358 125.197 119.914 -0.126 0.000 2.509 217 V HA -0.116 4.005 4.120 0.002 0.000 0.297 217 V C 0.570 176.652 176.094 -0.020 0.000 1.014 217 V CA 0.115 62.323 62.300 -0.153 0.000 1.127 217 V CB -0.343 31.202 31.823 -0.463 0.000 0.925 217 V HN 0.533 nan 8.190 nan 0.000 0.480 218 I N 5.753 126.366 120.570 0.070 0.000 2.389 218 I HA 0.047 4.219 4.170 0.002 0.000 0.295 218 I C 1.722 177.857 176.117 0.031 0.000 1.117 218 I CA 0.264 61.599 61.300 0.059 0.000 1.317 218 I CB 0.692 38.733 38.000 0.068 0.000 1.431 218 I HN 0.885 nan 8.210 nan 0.000 0.521 219 T N 0.682 115.253 114.554 0.028 0.000 2.937 219 T HA 0.064 4.415 4.350 0.002 0.000 0.260 219 T C 0.214 174.926 174.700 0.020 0.000 1.051 219 T CA 0.491 62.606 62.100 0.025 0.000 1.141 219 T CB -0.149 68.741 68.868 0.036 0.000 0.879 219 T HN 0.516 nan 8.240 nan 0.000 0.459 220 D N -0.019 120.394 120.400 0.022 0.000 2.947 220 D HA 0.544 5.186 4.640 0.002 0.000 0.224 220 D C -1.343 174.913 176.300 -0.073 0.000 1.230 220 D CA -0.493 53.475 54.000 -0.053 0.000 0.871 220 D CB 1.744 42.461 40.800 -0.138 0.000 1.671 220 D HN 0.275 nan 8.370 nan 0.000 0.507 221 I N 2.730 123.246 120.570 -0.090 0.000 2.321 221 I HA 0.258 4.430 4.170 0.002 0.000 0.291 221 I C 0.480 176.531 176.117 -0.111 0.000 0.998 221 I CA -0.616 60.635 61.300 -0.083 0.000 1.227 221 I CB 1.054 39.002 38.000 -0.088 0.000 1.368 221 I HN 0.374 nan 8.210 nan 0.000 0.466 222 I N 3.419 123.924 120.570 -0.108 0.000 2.900 222 I HA 0.354 4.525 4.170 0.002 0.000 0.251 222 I C 1.123 177.209 176.117 -0.052 0.000 1.102 222 I CA 0.571 61.807 61.300 -0.107 0.000 1.457 222 I CB -1.204 36.719 38.000 -0.128 0.000 1.285 222 I HN 0.777 nan 8.210 nan 0.000 0.459 223 G N 2.881 111.665 108.800 -0.027 0.000 2.777 223 G HA2 -0.200 3.761 3.960 0.002 0.000 0.686 223 G HA3 -0.200 3.761 3.960 0.002 0.000 0.686 223 G C 0.081 174.980 174.900 -0.002 0.000 1.177 223 G CA -0.083 45.009 45.100 -0.013 0.000 0.775 223 G HN 0.590 nan 8.290 nan 0.000 0.613 224 K N 0.394 120.797 120.400 0.005 0.000 3.041 224 K HA 0.507 4.829 4.320 0.002 0.000 0.243 224 K C 0.313 176.919 176.600 0.011 0.000 1.167 224 K CA 0.132 56.425 56.287 0.010 0.000 1.235 224 K CB 0.871 33.378 32.500 0.011 0.000 1.205 224 K HN 0.628 nan 8.250 nan 0.000 0.448 225 E N 0.857 121.063 120.200 0.008 0.000 2.413 225 E HA 0.194 4.545 4.350 0.002 0.000 0.277 225 E C -1.597 175.011 176.600 0.013 0.000 0.958 225 E CA -0.782 55.626 56.400 0.013 0.000 0.779 225 E CB 2.021 31.729 29.700 0.013 0.000 1.278 225 E HN 0.239 nan 8.360 nan 0.000 0.456 226 E N -0.144 120.068 120.200 0.020 0.000 2.191 226 E HA 0.534 4.885 4.350 0.002 0.000 0.274 226 E C -0.497 176.120 176.600 0.028 0.000 0.948 226 E CA 0.573 56.986 56.400 0.021 0.000 0.802 226 E CB 1.637 31.352 29.700 0.024 0.000 1.137 226 E HN 0.682 nan 8.360 nan 0.000 0.397 227 G N 3.539 112.354 108.800 0.025 0.000 2.401 227 G HA2 -0.190 3.771 3.960 0.002 0.000 0.283 227 G HA3 -0.190 3.771 3.960 0.002 0.000 0.283 227 G C 0.191 175.107 174.900 0.027 0.000 1.117 227 G CA 0.353 45.472 45.100 0.032 0.000 1.051 227 G HN 0.454 nan 8.290 nan 0.000 0.510 228 L N -1.310 119.920 121.223 0.012 0.000 2.609 228 L HA 0.471 4.812 4.340 0.002 0.000 0.230 228 L C 1.742 178.611 176.870 -0.003 0.000 1.064 228 L CA 1.025 55.867 54.840 0.003 0.000 0.873 228 L CB 0.390 42.443 42.059 -0.010 0.000 1.139 228 L HN 0.627 nan 8.230 nan 0.000 0.490 229 G N -1.071 107.726 108.800 -0.005 0.000 3.319 229 G HA2 0.085 4.047 3.960 0.002 0.000 0.158 229 G HA3 0.085 4.047 3.960 0.002 0.000 0.158 229 G C 0.386 175.280 174.900 -0.010 0.000 1.205 229 G CA 0.391 45.485 45.100 -0.009 0.000 1.252 229 G HN -0.329 nan 8.290 nan 0.000 0.668 230 V N 2.077 121.981 119.914 -0.017 0.000 2.313 230 V HA -0.221 3.900 4.120 0.002 0.000 0.253 230 V C 2.873 178.957 176.094 -0.017 0.000 1.070 230 V CA 3.386 65.675 62.300 -0.019 0.000 1.057 230 V CB -0.432 31.378 31.823 -0.023 0.000 0.653 230 V HN 0.778 nan 8.190 nan 0.000 0.450 231 E N -0.410 119.783 120.200 -0.012 0.000 2.265 231 E HA -0.277 4.075 4.350 0.002 0.000 0.196 231 E C 1.610 178.208 176.600 -0.005 0.000 0.996 231 E CA 2.029 58.424 56.400 -0.008 0.000 0.832 231 E CB -1.046 28.652 29.700 -0.003 0.000 0.756 231 E HN 0.845 nan 8.360 nan 0.000 0.491 232 N N 0.261 118.961 118.700 -0.001 0.000 2.494 232 N HA 0.057 4.799 4.740 0.002 0.000 0.182 232 N C 1.742 177.240 175.510 -0.020 0.000 1.076 232 N CA 0.301 53.354 53.050 0.006 0.000 0.908 232 N CB 0.090 38.591 38.487 0.023 0.000 0.967 232 N HN 0.174 nan 8.380 nan 0.000 0.449 233 L N -0.049 121.155 121.223 -0.031 0.000 2.298 233 L HA 0.096 4.437 4.340 0.002 0.000 0.209 233 L C 2.448 179.283 176.870 -0.058 0.000 1.084 233 L CA 0.287 55.096 54.840 -0.052 0.000 0.816 233 L CB -0.197 41.836 42.059 -0.044 0.000 0.967 233 L HN 0.124 nan 8.230 nan 0.000 0.460 234 R N 1.062 121.537 120.500 -0.042 0.000 2.115 234 R HA -0.084 4.257 4.340 0.002 0.000 0.226 234 R C 1.956 178.232 176.300 -0.039 0.000 1.100 234 R CA 1.412 57.489 56.100 -0.038 0.000 0.980 234 R CB -0.171 30.114 30.300 -0.025 0.000 0.875 234 R HN 0.348 nan 8.270 nan 0.000 0.445 235 G N -0.960 107.819 108.800 -0.034 0.000 2.712 235 G HA2 -0.075 3.886 3.960 0.002 0.000 0.212 235 G HA3 -0.075 3.886 3.960 0.002 0.000 0.212 235 G C 1.173 176.030 174.900 -0.070 0.000 1.142 235 G CA 0.086 45.169 45.100 -0.029 0.000 0.789 235 G HN 0.250 nan 8.290 nan 0.000 0.535 236 S N 0.192 115.828 115.700 -0.108 0.000 2.404 236 S HA 0.073 4.544 4.470 0.002 0.000 0.223 236 S C 2.487 176.986 174.600 -0.168 0.000 1.040 236 S CA 0.779 58.868 58.200 -0.186 0.000 0.957 236 S CB -0.127 62.965 63.200 -0.179 0.000 0.826 236 S HN 0.431 nan 8.310 nan 0.000 0.491 237 G N 1.372 110.099 108.800 -0.123 0.000 2.408 237 G HA2 -0.183 3.779 3.960 0.002 0.000 0.217 237 G HA3 -0.183 3.779 3.960 0.002 0.000 0.217 237 G C 1.394 176.241 174.900 -0.088 0.000 1.150 237 G CA 0.586 45.620 45.100 -0.111 0.000 0.776 237 G HN 0.359 nan 8.290 nan 0.000 0.542 238 M N 0.676 120.235 119.600 -0.069 0.000 2.065 238 M HA -0.069 4.413 4.480 0.002 0.000 0.259 238 M C 2.561 178.841 176.300 -0.034 0.000 1.069 238 M CA 1.809 57.084 55.300 -0.040 0.000 1.110 238 M CB -0.228 32.356 32.600 -0.026 0.000 1.328 238 M HN 0.448 nan 8.290 nan 0.000 0.405 239 I N -2.705 117.824 120.570 -0.069 0.000 2.761 239 I HA 0.029 4.200 4.170 0.002 0.000 0.261 239 I C 2.235 178.299 176.117 -0.089 0.000 1.198 239 I CA 0.976 62.234 61.300 -0.070 0.000 1.482 239 I CB -0.810 37.066 38.000 -0.207 0.000 1.100 239 I HN 0.143 nan 8.210 nan 0.000 0.445 240 A N 2.255 124.999 122.820 -0.125 0.000 1.873 240 A HA 0.062 4.383 4.320 0.002 0.000 0.215 240 A C 2.420 179.974 177.584 -0.050 0.000 1.186 240 A CA 1.593 53.566 52.037 -0.106 0.000 0.616 240 A CB -1.510 17.397 19.000 -0.154 0.000 0.823 240 A HN 0.487 nan 8.150 nan 0.000 0.442 241 G N -0.419 108.354 108.800 -0.046 0.000 2.418 241 G HA2 -0.238 3.723 3.960 0.002 0.000 0.217 241 G HA3 -0.238 3.723 3.960 0.002 0.000 0.217 241 G C 1.484 176.387 174.900 0.004 0.000 1.158 241 G CA 1.412 46.498 45.100 -0.023 0.000 0.771 241 G HN 0.531 nan 8.290 nan 0.000 0.545 242 E N 0.668 120.879 120.200 0.018 0.000 2.051 242 E HA -0.081 4.271 4.350 0.002 0.000 0.192 242 E C 2.710 179.345 176.600 0.058 0.000 0.991 242 E CA 1.761 58.183 56.400 0.038 0.000 0.799 242 E CB -0.742 28.994 29.700 0.060 0.000 0.748 242 E HN 0.336 nan 8.360 nan 0.000 0.449 243 T N -0.353 114.254 114.554 0.087 0.000 2.684 243 T HA -0.209 4.143 4.350 0.002 0.000 0.267 243 T C 2.018 176.772 174.700 0.089 0.000 1.036 243 T CA 1.608 63.768 62.100 0.100 0.000 1.148 243 T CB -0.805 68.127 68.868 0.108 0.000 0.863 243 T HN 0.206 nan 8.240 nan 0.000 0.436 244 S N 0.713 116.450 115.700 0.062 0.000 2.372 244 S HA -0.272 4.199 4.470 0.002 0.000 0.227 244 S C 2.229 176.890 174.600 0.102 0.000 1.044 244 S CA 1.982 60.227 58.200 0.075 0.000 1.050 244 S CB -0.430 62.789 63.200 0.031 0.000 0.901 244 S HN 0.585 nan 8.310 nan 0.000 0.447 245 Q N -0.299 119.537 119.800 0.060 0.000 2.123 245 Q HA -0.114 4.227 4.340 0.002 0.000 0.199 245 Q C 1.457 177.479 176.000 0.035 0.000 0.966 245 Q CA 1.514 57.340 55.803 0.038 0.000 0.845 245 Q CB -0.195 28.552 28.738 0.014 0.000 0.907 245 Q HN 0.558 nan 8.270 nan 0.000 0.439 246 D N -0.154 120.276 120.400 0.050 0.000 2.117 246 D HA -0.191 4.450 4.640 0.002 0.000 0.197 246 D C 1.610 177.943 176.300 0.055 0.000 0.987 246 D CA 1.015 55.038 54.000 0.037 0.000 0.829 246 D CB -0.485 40.336 40.800 0.034 0.000 0.961 246 D HN 0.339 nan 8.370 nan 0.000 0.460 247 Y N 1.796 122.094 120.300 -0.003 0.000 2.256 247 Y HA -0.201 4.351 4.550 0.002 0.000 0.288 247 Y C 1.439 177.335 175.900 -0.006 0.000 1.155 247 Y CA 1.405 59.504 58.100 -0.001 0.000 1.203 247 Y CB -0.075 38.388 38.460 0.004 0.000 0.980 247 Y HN -0.158 nan 8.280 nan 0.000 0.530 248 D N -0.474 119.811 120.400 -0.191 0.000 2.323 248 D HA -0.032 4.609 4.640 0.002 0.000 0.209 248 D C 1.386 177.583 176.300 -0.170 0.000 0.973 248 D CA 1.069 54.926 54.000 -0.239 0.000 0.874 248 D CB 0.192 40.933 40.800 -0.098 0.000 0.930 248 D HN 0.635 nan 8.370 nan 0.000 0.521 249 E N -0.668 119.464 120.200 -0.113 0.000 2.467 249 E HA 0.194 4.546 4.350 0.002 0.000 0.213 249 E C 0.807 177.366 176.600 -0.068 0.000 0.823 249 E CA 0.021 56.373 56.400 -0.080 0.000 1.233 249 E CB 1.452 31.121 29.700 -0.052 0.000 1.233 249 E HN 0.241 nan 8.360 nan 0.000 0.585 250 I N -2.733 117.802 120.570 -0.057 0.000 3.294 250 I HA 0.509 4.681 4.170 0.002 0.000 0.311 250 I C -0.373 175.733 176.117 -0.018 0.000 1.111 250 I CA -1.425 59.854 61.300 -0.035 0.000 0.976 250 I CB 1.628 39.612 38.000 -0.027 0.000 1.260 250 I HN -0.379 nan 8.210 nan 0.000 0.474 251 V N 1.824 121.742 119.914 0.007 0.000 2.432 251 V HA 0.357 4.479 4.120 0.002 0.000 0.271 251 V C 0.241 176.377 176.094 0.069 0.000 1.046 251 V CA -0.015 62.312 62.300 0.046 0.000 0.945 251 V CB 0.849 32.706 31.823 0.058 0.000 0.992 251 V HN 0.920 nan 8.190 nan 0.000 0.471 252 T N 3.990 118.612 114.554 0.114 0.000 2.829 252 T HA 0.830 5.182 4.350 0.002 0.000 0.280 252 T C -0.739 174.046 174.700 0.142 0.000 0.999 252 T CA -0.598 61.576 62.100 0.123 0.000 0.983 252 T CB 1.647 70.606 68.868 0.151 0.000 0.968 252 T HN 0.335 nan 8.240 nan 0.000 0.446 253 I N 1.730 122.390 120.570 0.151 0.000 2.619 253 I HA 0.514 4.685 4.170 0.002 0.000 0.292 253 I C -0.497 175.716 176.117 0.159 0.000 1.100 253 I CA -0.849 60.568 61.300 0.194 0.000 1.043 253 I CB 2.595 40.743 38.000 0.246 0.000 1.239 253 I HN 0.677 nan 8.210 nan 0.000 0.420 254 S N 6.241 122.020 115.700 0.133 0.000 2.536 254 S HA 0.639 5.110 4.470 0.002 0.000 0.287 254 S C -0.776 173.810 174.600 -0.022 0.000 1.101 254 S CA -0.664 57.586 58.200 0.082 0.000 0.950 254 S CB 2.286 65.566 63.200 0.133 0.000 1.056 254 S HN 0.582 nan 8.310 nan 0.000 0.481 255 M N 3.252 122.771 119.600 -0.135 0.000 2.253 255 M HA 0.512 4.993 4.480 0.002 0.000 0.314 255 M C -1.796 174.384 176.300 -0.201 0.000 1.019 255 M CA -0.677 54.522 55.300 -0.169 0.000 0.932 255 M CB 1.088 33.564 32.600 -0.206 0.000 1.606 255 M HN 0.429 nan 8.290 nan 0.000 0.430 256 V N 3.518 123.345 119.914 -0.145 0.000 2.364 256 V HA 0.439 4.561 4.120 0.002 0.000 0.272 256 V C -0.168 175.858 176.094 -0.112 0.000 1.036 256 V CA -0.340 61.879 62.300 -0.136 0.000 0.880 256 V CB 1.174 32.934 31.823 -0.104 0.000 0.991 256 V HN 0.866 nan 8.190 nan 0.000 0.460 257 S N 3.368 119.007 115.700 -0.101 0.000 2.502 257 S HA 0.513 4.985 4.470 0.002 0.000 0.304 257 S C 0.358 174.907 174.600 -0.084 0.000 1.097 257 S CA 0.340 58.506 58.200 -0.057 0.000 1.045 257 S CB 1.198 64.415 63.200 0.028 0.000 1.019 257 S HN 1.273 nan 8.310 nan 0.000 0.481 258 C N 4.046 123.285 119.300 -0.101 0.000 5.885 258 C HA -0.265 4.196 4.460 0.002 0.000 0.328 258 C C 0.117 174.904 174.990 -0.339 0.000 2.433 258 C CA 2.027 60.955 59.018 -0.151 0.000 2.197 258 C CB -2.061 25.628 27.740 -0.084 0.000 3.236 258 C HN 1.208 nan 8.230 nan 0.000 0.260 259 R N 0.796 121.130 120.500 -0.276 0.000 2.692 259 R HA 0.718 5.060 4.340 0.002 0.000 0.269 259 R C -1.129 175.098 176.300 -0.121 0.000 1.030 259 R CA 0.103 56.007 56.100 -0.326 0.000 0.882 259 R CB 1.338 31.363 30.300 -0.459 0.000 1.250 259 R HN 1.874 nan 8.270 nan 0.000 0.465 260 A N 2.449 125.226 122.820 -0.073 0.000 2.411 260 A HA 0.598 4.920 4.320 0.002 0.000 0.285 260 A C -1.496 176.099 177.584 0.019 0.000 1.129 260 A CA -0.685 51.352 52.037 -0.000 0.000 0.736 260 A CB 1.118 20.105 19.000 -0.022 0.000 1.186 260 A HN 0.608 nan 8.150 nan 0.000 0.445 261 L N 2.982 124.240 121.223 0.058 0.000 2.365 261 L HA 0.631 4.972 4.340 0.002 0.000 0.273 261 L C 1.251 178.141 176.870 0.033 0.000 1.000 261 L CA 0.617 55.488 54.840 0.052 0.000 0.819 261 L CB 1.792 43.900 42.059 0.082 0.000 1.284 261 L HN 1.242 nan 8.230 nan 0.000 0.418 262 G N 3.734 112.541 108.800 0.011 0.000 2.774 262 G HA2 -0.450 3.511 3.960 0.002 0.000 0.342 262 G HA3 -0.450 3.511 3.960 0.002 0.000 0.342 262 G C 0.826 175.741 174.900 0.026 0.000 1.185 262 G CA 1.074 46.188 45.100 0.024 0.000 0.956 262 G HN 0.681 nan 8.290 nan 0.000 0.561 263 I N 2.428 122.954 120.570 -0.074 0.000 2.286 263 I HA 0.082 4.253 4.170 0.002 0.000 0.248 263 I C 2.887 178.851 176.117 -0.255 0.000 1.115 263 I CA 2.723 63.889 61.300 -0.224 0.000 1.392 263 I CB -0.948 36.765 38.000 -0.478 0.000 1.065 263 I HN 0.623 nan 8.210 nan 0.000 0.418 264 G N -0.255 108.445 108.800 -0.166 0.000 2.422 264 G HA2 -0.227 3.735 3.960 0.002 0.000 0.218 264 G HA3 -0.227 3.735 3.960 0.002 0.000 0.218 264 G C 1.720 176.662 174.900 0.070 0.000 1.146 264 G CA 0.753 45.892 45.100 0.066 0.000 0.769 264 G HN 0.595 nan 8.290 nan 0.000 0.547 265 A N -0.197 122.618 122.820 -0.009 0.000 1.897 265 A HA 0.107 4.429 4.320 0.002 0.000 0.215 265 A C 2.216 179.725 177.584 -0.126 0.000 1.181 265 A CA 1.230 53.216 52.037 -0.085 0.000 0.620 265 A CB -0.531 18.373 19.000 -0.160 0.000 0.821 265 A HN 0.343 nan 8.150 nan 0.000 0.443 266 Y N 0.249 120.510 120.300 -0.065 0.000 2.293 266 Y HA -0.067 4.484 4.550 0.002 0.000 0.291 266 Y C 2.156 178.012 175.900 -0.073 0.000 1.137 266 Y CA 1.122 59.175 58.100 -0.079 0.000 1.202 266 Y CB -0.300 38.098 38.460 -0.104 0.000 0.990 266 Y HN 0.185 nan 8.280 nan 0.000 0.537 267 L N -0.727 120.535 121.223 0.065 0.000 2.083 267 L HA -0.191 4.150 4.340 0.002 0.000 0.209 267 L C 2.488 179.446 176.870 0.147 0.000 1.083 267 L CA 1.455 56.320 54.840 0.042 0.000 0.752 267 L CB -0.944 41.064 42.059 -0.084 0.000 0.899 267 L HN 0.240 nan 8.230 nan 0.000 0.433 268 V N -1.755 118.255 119.914 0.159 0.000 2.427 268 V HA -0.202 3.920 4.120 0.002 0.000 0.248 268 V C 2.711 178.815 176.094 0.017 0.000 1.051 268 V CA 1.566 63.938 62.300 0.121 0.000 1.048 268 V CB -0.615 31.248 31.823 0.065 0.000 0.666 268 V HN 0.330 nan 8.190 nan 0.000 0.456 269 R N 1.052 121.540 120.500 -0.020 0.000 2.070 269 R HA 0.025 4.366 4.340 0.002 0.000 0.232 269 R C 2.131 178.379 176.300 -0.087 0.000 1.138 269 R CA 2.268 58.329 56.100 -0.065 0.000 0.936 269 R CB -1.371 28.886 30.300 -0.070 0.000 0.839 269 R HN 0.592 nan 8.270 nan 0.000 0.429 270 L N -0.381 120.828 121.223 -0.023 0.000 2.187 270 L HA -0.065 4.276 4.340 0.002 0.000 0.213 270 L C 2.247 179.051 176.870 -0.111 0.000 1.100 270 L CA 1.556 56.363 54.840 -0.054 0.000 0.765 270 L CB -0.628 41.443 42.059 0.019 0.000 0.904 270 L HN 0.470 nan 8.230 nan 0.000 0.437 271 G N -2.497 106.276 108.800 -0.045 0.000 2.813 271 G HA2 -0.074 3.888 3.960 0.002 0.000 0.209 271 G HA3 -0.074 3.888 3.960 0.002 0.000 0.209 271 G C 0.927 175.749 174.900 -0.131 0.000 1.150 271 G CA 0.113 45.211 45.100 -0.003 0.000 0.785 271 G HN 0.396 nan 8.290 nan 0.000 0.535 272 Q N -0.962 118.669 119.800 -0.281 0.000 2.108 272 Q HA -0.274 4.068 4.340 0.002 0.000 0.173 272 Q C 0.659 176.381 176.000 -0.464 0.000 2.879 272 Q CA 1.950 57.539 55.803 -0.357 0.000 0.364 272 Q CB -0.990 27.402 28.738 -0.577 0.000 0.359 272 Q HN 0.619 nan 8.270 nan 0.000 0.457 273 R N 1.467 121.731 120.500 -0.394 0.000 2.296 273 R HA 0.455 4.796 4.340 0.002 0.000 0.327 273 R C -0.432 175.785 176.300 -0.139 0.000 1.137 273 R CA -0.180 55.589 56.100 -0.552 0.000 1.020 273 R CB 0.814 30.957 30.300 -0.262 0.000 1.110 273 R HN -0.090 nan 8.270 nan 0.000 0.499 274 V N 5.141 124.941 119.914 -0.189 0.000 2.435 274 V HA 0.415 4.537 4.120 0.002 0.000 0.290 274 V C 0.142 176.331 176.094 0.158 0.000 1.030 274 V CA -0.794 61.518 62.300 0.021 0.000 0.881 274 V CB 1.880 33.689 31.823 -0.023 0.000 0.983 274 V HN 0.577 nan 8.190 nan 0.000 0.445 275 I N 4.073 124.669 120.570 0.043 0.000 2.355 275 I HA 0.407 4.579 4.170 0.002 0.000 0.288 275 I C -0.080 175.985 176.117 -0.088 0.000 0.999 275 I CA -0.112 61.149 61.300 -0.065 0.000 1.163 275 I CB 1.550 39.398 38.000 -0.254 0.000 1.316 275 I HN 0.644 nan 8.210 nan 0.000 0.454 276 Q N 5.919 125.665 119.800 -0.090 0.000 2.314 276 Q HA 0.487 4.828 4.340 0.002 0.000 0.259 276 Q C -1.090 174.847 176.000 -0.104 0.000 0.951 276 Q CA -0.699 55.050 55.803 -0.089 0.000 0.909 276 Q CB 1.564 30.264 28.738 -0.065 0.000 1.236 276 Q HN 0.503 nan 8.270 nan 0.000 0.444 277 V N 3.749 123.611 119.914 -0.086 0.000 2.775 277 V HA 0.058 4.179 4.120 0.002 0.000 0.299 277 V C 0.320 176.386 176.094 -0.046 0.000 1.062 277 V CA -0.272 61.986 62.300 -0.069 0.000 1.063 277 V CB 1.146 32.937 31.823 -0.054 0.000 0.994 277 V HN 0.861 nan 8.190 nan 0.000 0.483 278 E N 2.586 122.768 120.200 -0.031 0.000 2.436 278 E HA 0.028 4.380 4.350 0.002 0.000 0.262 278 E C 0.552 177.156 176.600 0.006 0.000 1.063 278 E CA 0.712 57.109 56.400 -0.004 0.000 0.944 278 E CB -0.096 29.607 29.700 0.005 0.000 0.950 278 E HN 0.803 nan 8.360 nan 0.000 0.444 279 N N -0.299 118.419 118.700 0.029 0.000 2.741 279 N HA -0.223 4.519 4.740 0.002 0.000 0.251 279 N C -1.109 174.435 175.510 0.057 0.000 1.112 279 N CA 0.713 53.793 53.050 0.049 0.000 0.750 279 N CB -1.042 37.466 38.487 0.035 0.000 1.119 279 N HN 0.404 nan 8.380 nan 0.000 0.561 280 S N -0.462 115.256 115.700 0.029 0.000 2.648 280 S HA 0.760 5.232 4.470 0.002 0.000 0.305 280 S C -0.544 174.072 174.600 0.027 0.000 1.094 280 S CA -0.907 57.259 58.200 -0.057 0.000 0.983 280 S CB 1.719 64.856 63.200 -0.104 0.000 1.101 280 S HN 0.369 nan 8.310 nan 0.000 0.514 281 H N -1.006 118.052 119.070 -0.019 0.000 2.717 281 H HA 0.703 5.260 4.556 0.002 0.000 0.366 281 H C -1.265 174.042 175.328 -0.034 0.000 1.132 281 H CA -1.093 54.939 56.048 -0.027 0.000 1.180 281 H CB 0.982 30.727 29.762 -0.027 0.000 1.678 281 H HN 0.554 nan 8.280 nan 0.000 0.537 282 I N 4.181 124.782 120.570 0.051 0.000 2.405 282 I HA 0.287 4.458 4.170 0.002 0.000 0.280 282 I C -0.374 175.734 176.117 -0.015 0.000 1.027 282 I CA -0.500 60.792 61.300 -0.014 0.000 1.161 282 I CB 0.466 38.437 38.000 -0.049 0.000 1.300 282 I HN 0.550 nan 8.210 nan 0.000 0.463 283 I N 2.391 122.961 120.570 -0.000 0.000 2.957 283 I HA 0.500 4.671 4.170 0.002 0.000 0.310 283 I C -0.199 175.887 176.117 -0.051 0.000 1.063 283 I CA -0.836 60.451 61.300 -0.022 0.000 1.033 283 I CB 2.385 40.401 38.000 0.027 0.000 1.230 283 I HN 0.434 nan 8.210 nan 0.000 0.447 284 L N 0.581 121.767 121.223 -0.063 0.000 2.445 284 L HA 0.309 4.651 4.340 0.002 0.000 0.207 284 L C 0.331 177.195 176.870 -0.010 0.000 1.053 284 L CA 0.895 55.708 54.840 -0.044 0.000 0.841 284 L CB 0.611 42.640 42.059 -0.051 0.000 1.074 284 L HN 0.763 nan 8.230 nan 0.000 0.479 285 T N -0.773 113.769 114.554 -0.021 0.000 2.909 285 T HA 0.531 4.882 4.350 0.002 0.000 0.299 285 T C -0.072 174.614 174.700 -0.023 0.000 1.073 285 T CA -0.470 61.625 62.100 -0.008 0.000 0.999 285 T CB 2.226 71.092 68.868 -0.003 0.000 1.098 285 T HN 0.157 nan 8.240 nan 0.000 0.477 286 G N 0.048 108.846 108.800 -0.003 0.000 2.562 286 G HA2 0.513 4.475 3.960 0.002 0.000 0.275 286 G HA3 0.513 4.475 3.960 0.002 0.000 0.275 286 G C 1.112 176.007 174.900 -0.008 0.000 1.196 286 G CA -0.165 44.929 45.100 -0.011 0.000 0.908 286 G HN 0.854 nan 8.290 nan 0.000 0.524 287 A N -0.117 122.695 122.820 -0.013 0.000 1.877 287 A HA -0.083 4.239 4.320 0.002 0.000 0.216 287 A C 2.648 180.288 177.584 0.094 0.000 1.186 287 A CA 2.907 54.978 52.037 0.057 0.000 0.620 287 A CB -1.251 17.776 19.000 0.045 0.000 0.822 287 A HN 1.126 nan 8.150 nan 0.000 0.443 288 T N -1.861 112.724 114.554 0.052 0.000 2.746 288 T HA -0.002 4.349 4.350 0.002 0.000 0.267 288 T C 1.948 176.680 174.700 0.052 0.000 1.039 288 T CA 2.035 64.164 62.100 0.049 0.000 1.142 288 T CB -0.668 68.220 68.868 0.033 0.000 0.866 288 T HN 0.636 nan 8.240 nan 0.000 0.444 289 A N 1.555 124.404 122.820 0.048 0.000 1.908 289 A HA 0.127 4.448 4.320 0.002 0.000 0.218 289 A C 2.504 180.124 177.584 0.060 0.000 1.181 289 A CA 1.613 53.677 52.037 0.045 0.000 0.627 289 A CB -0.993 18.029 19.000 0.036 0.000 0.818 289 A HN 0.567 nan 8.150 nan 0.000 0.445 290 L N -0.327 120.948 121.223 0.088 0.000 2.141 290 L HA -0.168 4.174 4.340 0.002 0.000 0.209 290 L C 2.221 179.171 176.870 0.133 0.000 1.094 290 L CA 0.983 55.904 54.840 0.135 0.000 0.763 290 L CB -0.472 41.719 42.059 0.220 0.000 0.908 290 L HN 0.376 nan 8.230 nan 0.000 0.437 291 N N 0.160 118.928 118.700 0.113 0.000 2.171 291 N HA -0.139 4.603 4.740 0.002 0.000 0.184 291 N C 1.752 177.281 175.510 0.031 0.000 1.021 291 N CA 1.056 54.135 53.050 0.047 0.000 0.854 291 N CB -0.116 38.391 38.487 0.032 0.000 0.994 291 N HN 0.233 nan 8.380 nan 0.000 0.426 292 K N 0.687 121.110 120.400 0.038 0.000 2.103 292 K HA -0.115 4.207 4.320 0.002 0.000 0.207 292 K C 2.062 178.679 176.600 0.028 0.000 1.048 292 K CA 1.289 57.594 56.287 0.030 0.000 0.930 292 K CB -0.171 32.347 32.500 0.030 0.000 0.716 292 K HN 0.186 nan 8.250 nan 0.000 0.444 293 V N -0.951 118.985 119.914 0.037 0.000 2.255 293 V HA -0.148 3.973 4.120 0.002 0.000 0.243 293 V C 1.877 177.988 176.094 0.028 0.000 1.038 293 V CA 1.346 63.666 62.300 0.034 0.000 1.008 293 V CB -0.699 31.147 31.823 0.039 0.000 0.645 293 V HN 0.183 nan 8.190 nan 0.000 0.449 294 L N 0.961 122.203 121.223 0.032 0.000 2.265 294 L HA 0.230 4.572 4.340 0.002 0.000 0.215 294 L C 2.224 179.095 176.870 0.001 0.000 1.117 294 L CA 1.403 56.253 54.840 0.017 0.000 0.782 294 L CB -0.841 41.226 42.059 0.013 0.000 0.914 294 L HN 0.796 nan 8.230 nan 0.000 0.441 295 G N 0.199 109.000 108.800 0.002 0.000 4.391 295 G HA2 -0.313 3.648 3.960 0.002 0.000 0.210 295 G HA3 -0.313 3.648 3.960 0.002 0.000 0.210 295 G C 0.468 175.360 174.900 -0.013 0.000 1.547 295 G CA 0.048 45.146 45.100 -0.003 0.000 1.103 295 G HN 0.441 nan 8.290 nan 0.000 0.637 296 R N 1.685 122.168 120.500 -0.029 0.000 2.707 296 R HA 0.554 4.896 4.340 0.002 0.000 0.270 296 R C -1.021 175.242 176.300 -0.063 0.000 1.083 296 R CA 0.278 56.353 56.100 -0.043 0.000 1.182 296 R CB 0.282 30.551 30.300 -0.051 0.000 1.084 296 R HN 0.172 nan 8.270 nan 0.000 0.528 297 D N 1.918 122.280 120.400 -0.062 0.000 2.416 297 D HA 0.078 4.719 4.640 0.002 0.000 0.240 297 D C 0.536 176.752 176.300 -0.139 0.000 1.250 297 D CA -0.043 53.914 54.000 -0.072 0.000 0.967 297 D CB 1.127 41.902 40.800 -0.041 0.000 1.059 297 D HN 0.437 nan 8.370 nan 0.000 0.512 298 V N 1.945 121.705 119.914 -0.255 0.000 2.341 298 V HA -0.055 4.067 4.120 0.002 0.000 0.240 298 V C 0.402 176.189 176.094 -0.512 0.000 1.035 298 V CA 0.770 62.769 62.300 -0.502 0.000 1.033 298 V CB -0.555 30.741 31.823 -0.878 0.000 0.678 298 V HN 0.338 nan 8.190 nan 0.000 0.464 299 Y N 0.602 120.895 120.300 -0.012 0.000 2.334 299 Y HA 0.464 5.015 4.550 0.002 0.000 0.328 299 Y C 1.520 177.406 175.900 -0.023 0.000 1.130 299 Y CA -0.538 57.551 58.100 -0.020 0.000 1.163 299 Y CB 0.819 39.264 38.460 -0.024 0.000 1.207 299 Y HN -0.140 nan 8.280 nan 0.000 0.471 300 T N 0.237 114.865 114.554 0.123 0.000 2.901 300 T HA 0.057 4.409 4.350 0.002 0.000 0.252 300 T C 0.208 174.928 174.700 0.033 0.000 1.035 300 T CA 1.013 63.145 62.100 0.054 0.000 1.142 300 T CB -0.021 68.867 68.868 0.034 0.000 0.869 300 T HN 0.637 nan 8.240 nan 0.000 0.442 301 S N 0.162 115.873 115.700 0.019 0.000 2.618 301 S HA 0.473 4.945 4.470 0.002 0.000 0.277 301 S C 0.159 174.685 174.600 -0.123 0.000 1.138 301 S CA -0.944 57.223 58.200 -0.054 0.000 0.844 301 S CB 1.444 64.606 63.200 -0.063 0.000 1.127 301 S HN -0.067 nan 8.310 nan 0.000 0.474 302 N N 1.008 119.549 118.700 -0.265 0.000 2.331 302 N HA -0.008 4.733 4.740 0.002 0.000 0.180 302 N C 1.067 176.329 175.510 -0.414 0.000 1.019 302 N CA 0.917 53.715 53.050 -0.421 0.000 0.881 302 N CB -0.724 37.323 38.487 -0.735 0.000 0.972 302 N HN 0.659 nan 8.380 nan 0.000 0.435 303 N N 0.689 119.190 118.700 -0.331 0.000 2.309 303 N HA -0.101 4.641 4.740 0.002 0.000 0.182 303 N C 1.623 177.103 175.510 -0.050 0.000 1.018 303 N CA 0.490 53.487 53.050 -0.087 0.000 0.876 303 N CB 0.035 38.520 38.487 -0.004 0.000 0.972 303 N HN 0.356 nan 8.380 nan 0.000 0.434 304 Q N 0.546 120.305 119.800 -0.069 0.000 2.020 304 Q HA -0.126 4.215 4.340 0.002 0.000 0.202 304 Q C 1.756 177.712 176.000 -0.073 0.000 0.982 304 Q CA 1.250 57.029 55.803 -0.039 0.000 0.838 304 Q CB -0.097 28.640 28.738 -0.002 0.000 0.899 304 Q HN 0.388 nan 8.270 nan 0.000 0.423 305 L N -1.238 119.897 121.223 -0.146 0.000 2.131 305 L HA -0.059 4.283 4.340 0.002 0.000 0.210 305 L C 1.495 178.292 176.870 -0.122 0.000 1.092 305 L CA 1.061 55.776 54.840 -0.208 0.000 0.759 305 L CB -0.020 41.863 42.059 -0.293 0.000 0.903 305 L HN 0.412 nan 8.230 nan 0.000 0.435 306 G N -0.983 107.779 108.800 -0.063 0.000 5.432 306 G HA2 0.325 4.287 3.960 0.002 0.000 0.221 306 G HA3 0.325 4.287 3.960 0.002 0.000 0.221 306 G C 0.180 175.103 174.900 0.038 0.000 0.809 306 G CA 0.101 45.191 45.100 -0.017 0.000 0.700 306 G HN 0.251 nan 8.290 nan 0.000 0.367 307 G N -0.224 108.601 108.800 0.041 0.000 2.588 307 G HA2 0.466 4.428 3.960 0.002 0.000 0.281 307 G HA3 0.466 4.428 3.960 0.002 0.000 0.281 307 G C 1.578 176.520 174.900 0.070 0.000 1.236 307 G CA 0.346 45.486 45.100 0.067 0.000 0.969 307 G HN 0.815 nan 8.290 nan 0.000 0.504 308 V N -1.258 118.707 119.914 0.086 0.000 2.370 308 V HA -0.262 3.860 4.120 0.002 0.000 0.252 308 V C 2.486 178.731 176.094 0.252 0.000 1.068 308 V CA 2.573 64.957 62.300 0.140 0.000 1.061 308 V CB -0.868 31.017 31.823 0.104 0.000 0.656 308 V HN 0.752 nan 8.190 nan 0.000 0.455 309 Q N 0.021 119.913 119.800 0.153 0.000 2.291 309 Q HA -0.138 4.203 4.340 0.002 0.000 0.206 309 Q C 2.036 178.044 176.000 0.013 0.000 0.976 309 Q CA 2.052 57.877 55.803 0.037 0.000 0.875 309 Q CB -0.318 28.379 28.738 -0.069 0.000 0.927 309 Q HN 0.623 nan 8.270 nan 0.000 0.450 310 I N 0.072 120.687 120.570 0.074 0.000 2.900 310 I HA -0.002 4.170 4.170 0.002 0.000 0.251 310 I C 2.309 178.470 176.117 0.073 0.000 1.102 310 I CA 0.552 61.879 61.300 0.045 0.000 1.457 310 I CB -0.732 37.264 38.000 -0.006 0.000 1.285 310 I HN 0.111 nan 8.210 nan 0.000 0.459 311 M N -0.308 119.333 119.600 0.069 0.000 2.254 311 M HA -0.119 4.363 4.480 0.002 0.000 0.265 311 M C 2.207 178.565 176.300 0.097 0.000 1.066 311 M CA 1.468 56.788 55.300 0.034 0.000 1.123 311 M CB -1.529 31.073 32.600 0.004 0.000 1.388 311 M HN 0.350 nan 8.290 nan 0.000 0.425 312 H N -0.913 118.191 119.070 0.055 0.000 2.502 312 H HA -0.067 4.490 4.556 0.002 0.000 0.283 312 H C 1.720 176.991 175.328 -0.094 0.000 1.015 312 H CA 0.751 56.800 56.048 0.001 0.000 1.298 312 H CB 0.389 30.157 29.762 0.009 0.000 1.411 312 H HN 0.426 nan 8.280 nan 0.000 0.556 313 H N -0.191 118.898 119.070 0.032 0.000 2.465 313 H HA -0.051 4.507 4.556 0.003 0.000 0.289 313 H C 1.502 176.828 175.328 -0.004 0.000 1.022 313 H CA 0.992 57.046 56.048 0.009 0.000 1.340 313 H CB 0.303 30.078 29.762 0.021 0.000 1.437 313 H HN 0.535 nan 8.280 nan 0.000 0.539 314 N N -0.113 118.521 118.700 -0.109 0.000 2.280 314 N HA 0.034 4.776 4.740 0.002 0.000 0.192 314 N C 1.365 176.086 175.510 -1.315 0.000 1.109 314 N CA 0.823 53.559 53.050 -0.524 0.000 0.855 314 N CB 0.479 38.780 38.487 -0.310 0.000 0.974 314 N HN 0.331 nan 8.380 nan 0.000 0.482 315 G N -0.547 107.770 108.800 -0.805 0.000 2.175 315 G HA2 -0.295 3.666 3.960 0.002 0.000 0.244 315 G HA3 -0.295 3.666 3.960 0.002 0.000 0.244 315 G C 0.731 175.358 174.900 -0.455 0.000 0.982 315 G CA 0.309 44.947 45.100 -0.770 0.000 0.641 315 G HN 0.236 nan 8.290 nan 0.000 0.527 316 V N 0.645 120.361 119.914 -0.330 0.000 2.358 316 V HA 0.049 4.170 4.120 0.002 0.000 0.246 316 V C 1.757 177.864 176.094 0.022 0.000 1.047 316 V CA 2.233 64.435 62.300 -0.163 0.000 1.035 316 V CB -0.016 31.707 31.823 -0.165 0.000 0.658 316 V HN 0.437 nan 8.190 nan 0.000 0.452 317 S N -0.954 114.790 115.700 0.074 0.000 2.422 317 S HA 0.312 4.784 4.470 0.002 0.000 0.298 317 S C 0.893 175.695 174.600 0.336 0.000 1.118 317 S CA -0.413 57.891 58.200 0.173 0.000 1.083 317 S CB 0.528 63.786 63.200 0.097 0.000 0.971 317 S HN 0.493 nan 8.310 nan 0.000 0.478 318 H N 1.560 120.726 119.070 0.160 0.000 2.357 318 H HA 0.032 4.589 4.556 0.002 0.000 0.301 318 H C 0.867 176.380 175.328 0.309 0.000 1.082 318 H CA 1.105 57.290 56.048 0.228 0.000 1.342 318 H CB 0.344 30.228 29.762 0.203 0.000 1.389 318 H HN 0.486 nan 8.280 nan 0.000 0.511 319 V N -1.971 118.141 119.914 0.329 0.000 3.087 319 V HA 0.430 4.551 4.120 0.002 0.000 0.306 319 V C -0.409 175.534 176.094 -0.253 0.000 1.187 319 V CA -0.999 61.345 62.300 0.073 0.000 0.999 319 V CB 2.335 34.261 31.823 0.172 0.000 1.049 319 V HN -0.043 nan 8.190 nan 0.000 0.431 320 T N 2.527 116.812 114.554 -0.447 0.000 2.929 320 T HA 0.841 5.192 4.350 0.002 0.000 0.284 320 T C -0.281 174.315 174.700 -0.174 0.000 1.014 320 T CA -0.285 61.611 62.100 -0.339 0.000 1.051 320 T CB 1.568 70.197 68.868 -0.397 0.000 1.028 320 T HN 1.691 nan 8.240 nan 0.000 0.485 321 V N 0.281 120.117 119.914 -0.131 0.000 2.971 321 V HA 0.520 4.641 4.120 0.002 0.000 0.309 321 V C -2.594 173.466 176.094 -0.058 0.000 1.130 321 V CA -2.340 59.900 62.300 -0.100 0.000 0.964 321 V CB 1.853 33.595 31.823 -0.136 0.000 1.029 321 V HN 0.475 nan 8.190 nan 0.000 0.427 322 P HA 0.071 nan 4.420 nan 0.000 0.217 322 P C -0.222 177.077 177.300 -0.002 0.000 1.154 322 P CA 1.260 64.356 63.100 -0.006 0.000 0.841 322 P CB 0.033 31.740 31.700 0.012 0.000 0.788 323 D N -3.207 117.196 120.400 0.005 0.000 2.566 323 D HA 0.177 4.819 4.640 0.002 0.000 0.254 323 D C 0.146 176.454 176.300 0.014 0.000 1.090 323 D CA -0.724 53.288 54.000 0.020 0.000 1.034 323 D CB -0.044 40.787 40.800 0.053 0.000 1.434 323 D HN -0.337 nan 8.370 nan 0.000 0.509 324 D N -0.588 119.835 120.400 0.039 0.000 2.144 324 D HA -0.121 4.520 4.640 0.002 0.000 0.199 324 D C 1.372 177.702 176.300 0.050 0.000 0.984 324 D CA 0.829 54.869 54.000 0.066 0.000 0.834 324 D CB -0.339 40.539 40.800 0.129 0.000 0.955 324 D HN 0.374 nan 8.370 nan 0.000 0.465 325 F N 2.022 121.938 119.950 -0.056 0.000 2.095 325 F HA -0.192 4.337 4.527 0.002 0.000 0.298 325 F C 2.041 177.767 175.800 -0.122 0.000 1.104 325 F CA 1.352 59.298 58.000 -0.090 0.000 1.232 325 F CB 0.024 38.983 39.000 -0.068 0.000 0.987 325 F HN -0.190 nan 8.300 nan 0.000 0.475 326 E N 0.288 120.353 120.200 -0.223 0.000 2.153 326 E HA -0.123 4.228 4.350 0.002 0.000 0.194 326 E C 2.502 178.895 176.600 -0.345 0.000 0.988 326 E CA 1.050 57.270 56.400 -0.298 0.000 0.811 326 E CB -1.040 28.595 29.700 -0.108 0.000 0.746 326 E HN 0.567 nan 8.360 nan 0.000 0.466 327 G N 0.860 109.487 108.800 -0.288 0.000 2.402 327 G HA2 -0.179 3.782 3.960 0.002 0.000 0.216 327 G HA3 -0.179 3.782 3.960 0.002 0.000 0.216 327 G C 1.829 176.488 174.900 -0.402 0.000 1.162 327 G CA 0.721 45.633 45.100 -0.313 0.000 0.777 327 G HN 0.185 nan 8.290 nan 0.000 0.539 328 V N 0.540 120.175 119.914 -0.464 0.000 2.407 328 V HA -0.222 3.900 4.120 0.002 0.000 0.248 328 V C 3.002 178.753 176.094 -0.572 0.000 1.055 328 V CA 1.725 63.638 62.300 -0.644 0.000 1.049 328 V CB -0.673 30.659 31.823 -0.818 0.000 0.662 328 V HN 0.493 nan 8.190 nan 0.000 0.455 329 C N -0.500 118.442 119.300 -0.597 0.000 2.446 329 C HA -0.132 4.330 4.460 0.002 0.000 0.277 329 C C 2.997 177.772 174.990 -0.359 0.000 1.275 329 C CA 1.587 60.322 59.018 -0.470 0.000 1.727 329 C CB -1.187 26.244 27.740 -0.514 0.000 2.010 329 C HN 0.592 nan 8.230 nan 0.000 0.486 330 T N 1.469 115.769 114.554 -0.423 0.000 2.788 330 T HA -0.100 4.251 4.350 0.002 0.000 0.268 330 T C 1.573 175.871 174.700 -0.669 0.000 1.044 330 T CA 1.331 63.098 62.100 -0.554 0.000 1.139 330 T CB -0.299 68.185 68.868 -0.641 0.000 0.867 330 T HN 0.473 nan 8.240 nan 0.000 0.454 331 I N 0.773 121.058 120.570 -0.476 0.000 2.099 331 I HA -0.164 4.007 4.170 0.002 0.000 0.239 331 I C 2.208 178.304 176.117 -0.036 0.000 1.066 331 I CA 1.380 62.540 61.300 -0.232 0.000 1.324 331 I CB -0.430 37.512 38.000 -0.096 0.000 1.037 331 I HN 0.183 nan 8.210 nan 0.000 0.401 332 L N 0.121 121.311 121.223 -0.056 0.000 2.131 332 L HA -0.209 4.132 4.340 0.002 0.000 0.210 332 L C 2.570 179.458 176.870 0.030 0.000 1.092 332 L CA 1.268 56.117 54.840 0.015 0.000 0.759 332 L CB -0.634 41.414 42.059 -0.020 0.000 0.903 332 L HN 0.321 nan 8.230 nan 0.000 0.435 333 E N -0.227 119.962 120.200 -0.018 0.000 2.051 333 E HA -0.229 4.123 4.350 0.002 0.000 0.192 333 E C 2.128 178.921 176.600 0.321 0.000 0.991 333 E CA 1.351 57.785 56.400 0.057 0.000 0.799 333 E CB -0.050 29.644 29.700 -0.009 0.000 0.748 333 E HN 0.424 nan 8.360 nan 0.000 0.449 334 W N 0.879 122.278 121.300 0.166 0.000 2.379 334 W HA -0.071 4.590 4.660 0.002 0.000 0.307 334 W C 2.209 178.874 176.519 0.242 0.000 1.200 334 W CA 0.451 57.943 57.345 0.244 0.000 1.297 334 W CB -1.054 28.485 29.460 0.132 0.000 1.140 334 W HN 0.162 nan 8.180 nan 0.000 0.507 335 L N 0.904 122.358 121.223 0.384 0.000 2.127 335 L HA -0.260 4.082 4.340 0.002 0.000 0.211 335 L C 2.613 179.598 176.870 0.191 0.000 1.089 335 L CA 1.890 56.877 54.840 0.244 0.000 0.757 335 L CB -1.083 41.080 42.059 0.173 0.000 0.899 335 L HN 0.028 nan 8.230 nan 0.000 0.434 336 S N -1.121 114.648 115.700 0.114 0.000 2.469 336 S HA -0.196 4.276 4.470 0.002 0.000 0.238 336 S C 1.670 176.188 174.600 -0.137 0.000 0.998 336 S CA 0.858 59.029 58.200 -0.048 0.000 0.957 336 S CB -0.486 62.603 63.200 -0.185 0.000 0.764 336 S HN 0.477 nan 8.310 nan 0.000 0.514 337 Y N 1.216 121.561 120.300 0.076 0.000 2.510 337 Y HA 0.449 5.000 4.550 0.002 0.000 0.273 337 Y C 1.213 177.141 175.900 0.046 0.000 1.119 337 Y CA -0.195 57.924 58.100 0.031 0.000 1.286 337 Y CB -0.148 38.307 38.460 -0.008 0.000 1.061 337 Y HN 0.258 nan 8.280 nan 0.000 0.542 338 M N 1.149 120.883 119.600 0.222 0.000 2.367 338 M HA 0.331 4.812 4.480 0.002 0.000 0.339 338 M C -2.469 173.945 176.300 0.189 0.000 1.177 338 M CA -2.014 53.389 55.300 0.173 0.000 1.068 338 M CB 0.816 33.509 32.600 0.155 0.000 1.602 338 M HN -0.249 nan 8.290 nan 0.000 0.457 339 P HA 0.065 nan 4.420 nan 0.000 0.270 339 P C 0.136 177.482 177.300 0.077 0.000 1.223 339 P CA -0.251 62.960 63.100 0.185 0.000 0.785 339 P CB 0.629 32.395 31.700 0.109 0.000 0.923 340 K N 0.472 120.826 120.400 -0.078 0.000 2.044 340 K HA -0.186 4.136 4.320 0.002 0.000 0.210 340 K C 0.260 176.745 176.600 -0.192 0.000 1.049 340 K CA 2.187 58.219 56.287 -0.425 0.000 0.927 340 K CB -0.166 31.966 32.500 -0.613 0.000 0.713 340 K HN 0.722 nan 8.250 nan 0.000 0.443 341 D N -3.688 116.651 120.400 -0.102 0.000 2.759 341 D HA -0.046 4.595 4.640 0.002 0.000 0.321 341 D C -0.337 175.943 176.300 -0.033 0.000 1.267 341 D CA -0.740 53.220 54.000 -0.065 0.000 0.933 341 D CB -0.046 40.711 40.800 -0.072 0.000 1.431 341 D HN 0.163 nan 8.370 nan 0.000 0.504 342 N N -1.061 117.620 118.700 -0.032 0.000 2.575 342 N HA -0.023 4.719 4.740 0.002 0.000 0.192 342 N C 0.516 176.014 175.510 -0.021 0.000 1.200 342 N CA -0.101 52.933 53.050 -0.027 0.000 0.897 342 N CB 0.108 38.574 38.487 -0.035 0.000 0.990 342 N HN 0.163 nan 8.380 nan 0.000 0.449 343 R N -0.310 120.180 120.500 -0.017 0.000 2.509 343 R HA 0.241 4.582 4.340 0.002 0.000 0.297 343 R C -0.548 175.754 176.300 0.003 0.000 0.951 343 R CA -0.166 55.928 56.100 -0.010 0.000 1.103 343 R CB 1.080 31.371 30.300 -0.014 0.000 1.283 343 R HN 0.056 nan 8.270 nan 0.000 0.534 344 S N 1.762 117.469 115.700 0.012 0.000 2.537 344 S HA 0.475 4.947 4.470 0.002 0.000 0.301 344 S C -2.317 172.317 174.600 0.058 0.000 1.092 344 S CA -1.302 56.923 58.200 0.040 0.000 1.048 344 S CB 2.031 65.260 63.200 0.049 0.000 1.053 344 S HN -0.009 nan 8.310 nan 0.000 0.501 345 P HA 0.223 nan 4.420 nan 0.000 0.277 345 P C -0.345 177.009 177.300 0.089 0.000 1.271 345 P CA -0.576 62.562 63.100 0.063 0.000 0.795 345 P CB 0.203 31.932 31.700 0.048 0.000 1.101 346 V N -2.770 117.185 119.914 0.069 0.000 2.599 346 V HA 0.161 4.282 4.120 0.002 0.000 0.300 346 V C -2.062 174.059 176.094 0.044 0.000 1.034 346 V CA -1.444 60.899 62.300 0.073 0.000 1.115 346 V CB -0.793 31.066 31.823 0.061 0.000 0.934 346 V HN 0.438 nan 8.190 nan 0.000 0.485 347 P HA 0.253 nan 4.420 nan 0.000 0.271 347 P C -0.260 176.973 177.300 -0.112 0.000 1.380 347 P CA -0.079 62.945 63.100 -0.127 0.000 0.992 347 P CB 0.608 32.113 31.700 -0.324 0.000 1.230 348 V N 5.219 125.085 119.914 -0.079 0.000 2.508 348 V HA 0.138 4.260 4.120 0.002 0.000 0.281 348 V C 1.041 177.084 176.094 -0.085 0.000 1.041 348 V CA -0.248 62.021 62.300 -0.052 0.000 1.016 348 V CB 1.034 32.846 31.823 -0.019 0.000 0.984 348 V HN 0.385 nan 8.190 nan 0.000 0.478 349 V N 1.768 121.632 119.914 -0.084 0.000 2.815 349 V HA 0.561 4.682 4.120 0.002 0.000 0.314 349 V C 0.238 176.284 176.094 -0.080 0.000 1.064 349 V CA -0.770 61.469 62.300 -0.102 0.000 0.952 349 V CB 1.483 33.225 31.823 -0.135 0.000 1.020 349 V HN 0.760 nan 8.190 nan 0.000 0.439 350 T N 5.234 119.739 114.554 -0.080 0.000 2.738 350 T HA 0.171 4.523 4.350 0.002 0.000 0.277 350 T C -1.939 172.706 174.700 -0.090 0.000 0.981 350 T CA 0.168 62.224 62.100 -0.074 0.000 1.211 350 T CB -0.413 68.415 68.868 -0.068 0.000 0.932 350 T HN 0.829 nan 8.240 nan 0.000 0.522 351 P HA 0.192 nan 4.420 nan 0.000 0.276 351 P C 0.663 177.896 177.300 -0.112 0.000 1.230 351 P CA -0.549 62.479 63.100 -0.120 0.000 0.776 351 P CB 1.113 32.708 31.700 -0.175 0.000 0.888 352 K N 1.647 121.986 120.400 -0.102 0.000 2.137 352 K HA -0.027 4.294 4.320 0.002 0.000 0.202 352 K C 0.121 176.666 176.600 -0.092 0.000 1.052 352 K CA 0.629 56.861 56.287 -0.092 0.000 0.961 352 K CB 0.096 32.541 32.500 -0.090 0.000 0.741 352 K HN 0.454 nan 8.250 nan 0.000 0.452 353 D N 2.563 122.903 120.400 -0.100 0.000 2.295 353 D HA 0.168 4.809 4.640 0.002 0.000 0.248 353 D C -2.275 173.940 176.300 -0.142 0.000 1.154 353 D CA -1.908 52.032 54.000 -0.101 0.000 0.857 353 D CB 1.429 42.179 40.800 -0.083 0.000 1.117 353 D HN 0.112 nan 8.370 nan 0.000 0.468 354 P HA 0.139 nan 4.420 nan 0.000 0.274 354 P C 0.764 177.921 177.300 -0.238 0.000 1.237 354 P CA -0.343 62.656 63.100 -0.169 0.000 0.793 354 P CB 1.300 32.934 31.700 -0.109 0.000 0.977 355 I N 0.705 121.084 120.570 -0.318 0.000 2.703 355 I HA -0.091 4.080 4.170 0.002 0.000 0.259 355 I C 1.602 177.602 176.117 -0.195 0.000 1.151 355 I CA 0.960 62.016 61.300 -0.407 0.000 1.470 355 I CB -0.645 36.890 38.000 -0.774 0.000 1.112 355 I HN 0.330 nan 8.210 nan 0.000 0.437 356 D N 2.388 122.729 120.400 -0.097 0.000 2.379 356 D HA -0.128 4.514 4.640 0.002 0.000 0.243 356 D C 0.740 177.016 176.300 -0.040 0.000 1.088 356 D CA 0.137 54.126 54.000 -0.018 0.000 0.925 356 D CB -0.509 40.299 40.800 0.014 0.000 0.888 356 D HN 0.471 nan 8.370 nan 0.000 0.529 357 R N 0.177 120.627 120.500 -0.082 0.000 2.598 357 R HA 0.481 4.822 4.340 0.002 0.000 0.279 357 R C -0.155 176.089 176.300 -0.093 0.000 0.984 357 R CA -0.786 55.269 56.100 -0.074 0.000 0.999 357 R CB 1.695 31.949 30.300 -0.076 0.000 1.114 357 R HN -0.190 nan 8.270 nan 0.000 0.493 358 E N 1.387 121.545 120.200 -0.070 0.000 2.359 358 E HA 0.274 4.626 4.350 0.002 0.000 0.255 358 E C -0.362 176.166 176.600 -0.120 0.000 1.191 358 E CA -0.783 55.563 56.400 -0.089 0.000 0.952 358 E CB 0.907 30.581 29.700 -0.043 0.000 1.152 358 E HN 0.449 nan 8.360 nan 0.000 0.496 359 I N 1.731 122.201 120.570 -0.167 0.000 2.330 359 I HA 0.077 4.248 4.170 0.002 0.000 0.289 359 I C 0.722 176.842 176.117 0.006 0.000 1.001 359 I CA -0.078 61.126 61.300 -0.161 0.000 1.193 359 I CB 1.347 39.054 38.000 -0.489 0.000 1.345 359 I HN 0.541 nan 8.210 nan 0.000 0.461 360 E N 4.316 124.561 120.200 0.076 0.000 2.031 360 E HA -0.166 4.185 4.350 0.002 0.000 0.193 360 E C 0.391 177.078 176.600 0.146 0.000 0.994 360 E CA 1.262 57.725 56.400 0.105 0.000 0.800 360 E CB 0.126 29.892 29.700 0.110 0.000 0.752 360 E HN 0.481 nan 8.360 nan 0.000 0.447 361 F N 1.713 121.723 119.950 0.101 0.000 2.578 361 F HA 0.037 4.565 4.527 0.001 0.000 0.376 361 F C 0.057 176.022 175.800 0.276 0.000 1.085 361 F CA -0.014 58.055 58.000 0.115 0.000 1.260 361 F CB 0.565 39.631 39.000 0.109 0.000 1.095 361 F HN -0.172 nan 8.300 nan 0.000 0.573 362 Q N 8.524 127.812 119.800 -0.852 0.000 2.341 362 Q HA 0.465 4.807 4.340 0.002 0.000 0.268 362 Q C -2.709 172.656 176.000 -1.058 0.000 1.013 362 Q CA -2.482 52.947 55.803 -0.623 0.000 0.798 362 Q CB 1.418 29.996 28.738 -0.266 0.000 1.253 362 Q HN 0.328 nan 8.270 nan 0.000 0.457 363 P HA 0.030 nan 4.420 nan 0.000 0.265 363 P C -1.029 175.941 177.300 -0.549 0.000 1.187 363 P CA 0.120 62.604 63.100 -1.027 0.000 0.766 363 P CB 0.727 31.929 31.700 -0.829 0.000 0.820 364 S N 2.329 117.679 115.700 -0.582 0.000 2.654 364 S HA 0.363 4.835 4.470 0.002 0.000 0.283 364 S C 1.121 175.673 174.600 -0.079 0.000 1.180 364 S CA -0.735 57.324 58.200 -0.235 0.000 1.021 364 S CB 1.553 64.673 63.200 -0.133 0.000 1.018 364 S HN 0.281 nan 8.310 nan 0.000 0.532 365 R N 1.018 121.356 120.500 -0.269 0.000 2.081 365 R HA 0.038 4.380 4.340 0.002 0.000 0.235 365 R C 1.453 177.734 176.300 -0.032 0.000 1.131 365 R CA 1.173 57.150 56.100 -0.204 0.000 0.960 365 R CB -0.884 29.210 30.300 -0.343 0.000 0.856 365 R HN 0.782 nan 8.270 nan 0.000 0.436 366 G N 1.645 110.434 108.800 -0.019 0.000 2.535 366 G HA2 0.232 4.193 3.960 0.002 0.000 0.282 366 G HA3 0.232 4.193 3.960 0.002 0.000 0.282 366 G C -2.359 172.601 174.900 0.101 0.000 1.350 366 G CA -1.005 44.107 45.100 0.020 0.000 1.039 366 G HN 0.004 nan 8.290 nan 0.000 0.509 367 P HA 0.273 nan 4.420 nan 0.000 0.272 367 P C -1.459 175.900 177.300 0.097 0.000 1.223 367 P CA 0.268 63.357 63.100 -0.019 0.000 0.784 367 P CB 0.682 32.333 31.700 -0.083 0.000 0.923 368 Y N -2.119 118.102 120.300 -0.132 0.000 2.624 368 Y HA 0.458 5.011 4.550 0.004 0.000 0.334 368 Y C -1.041 174.559 175.900 -0.501 0.000 1.155 368 Y CA -1.640 56.336 58.100 -0.206 0.000 1.046 368 Y CB 0.177 38.713 38.460 0.126 0.000 1.316 368 Y HN 0.135 nan 8.280 nan 0.000 0.457 369 D N 4.194 123.987 120.400 -1.011 0.000 2.346 369 D HA 0.225 4.866 4.640 0.002 0.000 0.260 369 D C -1.581 174.260 176.300 -0.765 0.000 1.252 369 D CA -2.432 50.909 54.000 -1.097 0.000 0.895 369 D CB 1.346 41.154 40.800 -1.653 0.000 1.097 369 D HN 0.421 nan 8.370 nan 0.000 0.489 370 P HA -0.133 nan 4.420 nan 0.000 0.222 370 P C 0.973 178.077 177.300 -0.326 0.000 1.147 370 P CA 0.746 63.622 63.100 -0.372 0.000 0.790 370 P CB 0.335 31.796 31.700 -0.397 0.000 0.780 371 R N -1.285 118.999 120.500 -0.361 0.000 2.152 371 R HA -0.105 4.236 4.340 0.002 0.000 0.232 371 R C 2.295 178.502 176.300 -0.155 0.000 1.117 371 R CA 1.182 57.106 56.100 -0.293 0.000 0.981 371 R CB -0.592 29.636 30.300 -0.120 0.000 0.870 371 R HN 0.276 nan 8.270 nan 0.000 0.451 372 W N 0.758 121.850 121.300 -0.347 0.000 2.381 372 W HA -0.059 4.604 4.660 0.005 0.000 0.301 372 W C 1.953 178.111 176.519 -0.601 0.000 1.205 372 W CA 0.203 57.162 57.345 -0.643 0.000 1.285 372 W CB -1.008 27.715 29.460 -1.229 0.000 1.133 372 W HN 0.124 nan 8.180 nan 0.000 0.521 373 L N -0.219 120.930 121.223 -0.123 0.000 2.191 373 L HA -0.160 4.181 4.340 0.002 0.000 0.212 373 L C 1.987 178.912 176.870 0.092 0.000 1.103 373 L CA 1.319 56.268 54.840 0.182 0.000 0.769 373 L CB -0.247 41.873 42.059 0.102 0.000 0.908 373 L HN -0.114 nan 8.230 nan 0.000 0.438 374 L N -1.069 120.092 121.223 -0.104 0.000 2.185 374 L HA 0.144 4.486 4.340 0.002 0.000 0.198 374 L C 2.437 179.423 176.870 0.193 0.000 1.079 374 L CA 0.816 55.622 54.840 -0.056 0.000 0.780 374 L CB -0.588 41.185 42.059 -0.477 0.000 0.955 374 L HN 0.130 nan 8.230 nan 0.000 0.462 375 A N -0.464 122.441 122.820 0.142 0.000 2.267 375 A HA 0.466 4.787 4.320 0.002 0.000 0.213 375 A C 1.231 179.068 177.584 0.421 0.000 1.192 375 A CA 0.634 52.879 52.037 0.347 0.000 0.851 375 A CB -0.317 18.934 19.000 0.418 0.000 0.881 375 A HN 0.487 nan 8.150 nan 0.000 0.494 376 G N 0.080 109.016 108.800 0.227 0.000 2.553 376 G HA2 -0.068 3.894 3.960 0.002 0.000 0.242 376 G HA3 -0.068 3.894 3.960 0.002 0.000 0.242 376 G C -0.166 174.578 174.900 -0.260 0.000 1.277 376 G CA 0.108 45.249 45.100 0.070 0.000 0.910 376 G HN 1.563 nan 8.290 nan 0.000 0.576 377 R N -1.856 118.084 120.500 -0.933 0.000 2.753 377 R HA 0.541 4.882 4.340 0.002 0.000 0.272 377 R C -3.357 171.934 176.300 -1.681 0.000 1.034 377 R CA -1.302 54.074 56.100 -1.206 0.000 0.869 377 R CB 1.355 31.111 30.300 -0.907 0.000 1.264 377 R HN 0.626 nan 8.270 nan 0.000 0.481 378 P HA -0.062 nan 4.420 nan 0.000 0.268 378 P C -0.573 176.506 177.300 -0.368 0.000 1.204 378 P CA 0.234 63.009 63.100 -0.542 0.000 0.768 378 P CB 0.356 31.967 31.700 -0.148 0.000 0.842 379 H N 5.217 124.136 119.070 -0.251 0.000 3.140 379 H HA -0.059 4.499 4.556 0.004 0.000 0.316 379 H C -1.271 173.959 175.328 -0.164 0.000 0.986 379 H CA -0.352 55.588 56.048 -0.181 0.000 1.397 379 H CB 0.234 29.945 29.762 -0.085 0.000 1.377 379 H HN 0.263 nan 8.280 nan 0.000 0.585 380 P HA -0.135 nan 4.420 nan 0.000 0.216 380 P C 1.313 178.574 177.300 -0.065 0.000 1.150 380 P CA 2.325 65.256 63.100 -0.281 0.000 0.837 380 P CB 0.283 31.771 31.700 -0.353 0.000 0.786 381 T N -4.359 110.266 114.554 0.120 0.000 3.087 381 T HA 0.146 4.497 4.350 0.002 0.000 0.237 381 T C 0.633 175.422 174.700 0.148 0.000 0.990 381 T CA -0.113 62.071 62.100 0.141 0.000 1.160 381 T CB -0.996 67.954 68.868 0.137 0.000 0.923 381 T HN -0.136 nan 8.240 nan 0.000 0.442 382 L N 3.249 124.606 121.223 0.222 0.000 2.417 382 L HA 0.485 4.827 4.340 0.002 0.000 0.268 382 L C -0.352 176.546 176.870 0.048 0.000 1.158 382 L CA -0.145 54.700 54.840 0.008 0.000 0.819 382 L CB 0.556 42.442 42.059 -0.288 0.000 1.112 382 L HN 0.567 nan 8.230 nan 0.000 0.458 383 K N 2.175 122.588 120.400 0.022 0.000 2.501 383 K HA 0.671 4.992 4.320 0.002 0.000 0.252 383 K C -0.403 176.216 176.600 0.031 0.000 0.934 383 K CA -0.611 55.701 56.287 0.042 0.000 0.797 383 K CB 1.431 33.957 32.500 0.044 0.000 1.270 383 K HN 0.612 nan 8.250 nan 0.000 0.431 384 G N 1.164 109.992 108.800 0.048 0.000 4.126 384 G HA2 0.118 4.080 3.960 0.002 0.000 0.282 384 G HA3 0.118 4.080 3.960 0.002 0.000 0.282 384 G C -0.364 174.607 174.900 0.119 0.000 1.221 384 G CA -0.406 44.745 45.100 0.085 0.000 1.527 384 G HN 0.555 nan 8.290 nan 0.000 0.612 385 S N 0.558 116.323 115.700 0.108 0.000 2.601 385 S HA 0.494 4.965 4.470 0.002 0.000 0.271 385 S C -0.564 174.186 174.600 0.251 0.000 1.305 385 S CA -0.735 57.547 58.200 0.136 0.000 1.022 385 S CB 0.928 64.145 63.200 0.028 0.000 0.940 385 S HN 0.457 nan 8.310 nan 0.000 0.525 386 W N 4.066 125.401 121.300 0.060 0.000 2.600 386 W HA 0.319 4.977 4.660 -0.002 0.000 0.325 386 W C -0.874 175.695 176.519 0.083 0.000 1.034 386 W CA -0.621 56.762 57.345 0.062 0.000 1.226 386 W CB 1.474 30.959 29.460 0.042 0.000 1.379 386 W HN 0.727 nan 8.180 nan 0.000 0.466 387 Q N 4.572 124.197 119.800 -0.291 0.000 2.456 387 Q HA 0.166 4.507 4.340 0.002 0.000 0.234 387 Q C 0.623 176.572 176.000 -0.084 0.000 1.061 387 Q CA -0.072 55.664 55.803 -0.112 0.000 0.896 387 Q CB 0.751 29.381 28.738 -0.181 0.000 1.233 387 Q HN 0.458 nan 8.270 nan 0.000 0.506 388 S N 1.960 117.768 115.700 0.181 0.000 2.549 388 S HA 0.269 4.740 4.470 0.002 0.000 0.278 388 S C 0.477 175.209 174.600 0.219 0.000 1.344 388 S CA 0.099 58.464 58.200 0.275 0.000 1.025 388 S CB 0.975 64.293 63.200 0.197 0.000 0.851 388 S HN 0.628 nan 8.310 nan 0.000 0.530 389 G N 0.137 109.075 108.800 0.230 0.000 3.211 389 G HA2 0.538 4.500 3.960 0.002 0.000 0.262 389 G HA3 0.538 4.500 3.960 0.002 0.000 0.262 389 G C -0.060 174.894 174.900 0.090 0.000 1.352 389 G CA -0.683 44.552 45.100 0.225 0.000 1.004 389 G HN 0.702 nan 8.290 nan 0.000 0.559 390 F N -0.223 119.661 119.950 -0.111 0.000 2.102 390 F HA 0.235 4.765 4.527 0.005 0.000 0.298 390 F C 0.810 176.401 175.800 -0.348 0.000 1.105 390 F CA 0.784 58.558 58.000 -0.378 0.000 1.239 390 F CB -0.082 38.605 39.000 -0.522 0.000 0.991 390 F HN 0.145 nan 8.300 nan 0.000 0.474 391 F N 1.013 121.071 119.950 0.181 0.000 2.368 391 F HA 0.210 4.739 4.527 0.004 0.000 0.315 391 F C 0.411 176.240 175.800 0.047 0.000 1.145 391 F CA -1.170 56.901 58.000 0.117 0.000 1.095 391 F CB -0.108 39.050 39.000 0.263 0.000 1.286 391 F HN -0.235 nan 8.300 nan 0.000 0.530 392 D N 0.918 121.461 120.400 0.239 0.000 2.417 392 D HA -0.028 4.614 4.640 0.002 0.000 0.250 392 D C 0.030 176.400 176.300 0.116 0.000 1.166 392 D CA 0.041 54.099 54.000 0.097 0.000 0.881 392 D CB 0.313 41.141 40.800 0.047 0.000 1.164 392 D HN 0.449 nan 8.370 nan 0.000 0.467 393 Q N 0.652 120.478 119.800 0.045 0.000 2.398 393 Q HA 0.069 4.410 4.340 0.002 0.000 0.329 393 Q C 1.141 177.112 176.000 -0.048 0.000 1.079 393 Q CA 1.050 56.835 55.803 -0.030 0.000 1.041 393 Q CB 0.107 28.728 28.738 -0.196 0.000 1.084 393 Q HN 0.814 nan 8.270 nan 0.000 0.386 394 G N 2.069 110.858 108.800 -0.019 0.000 2.184 394 G HA2 -0.365 3.596 3.960 0.002 0.000 0.264 394 G HA3 -0.365 3.596 3.960 0.002 0.000 0.264 394 G C 0.703 175.651 174.900 0.079 0.000 0.975 394 G CA 0.824 45.924 45.100 -0.000 0.000 0.642 394 G HN 0.852 nan 8.290 nan 0.000 0.536 395 S N -0.901 114.884 115.700 0.141 0.000 2.458 395 S HA 0.321 4.792 4.470 0.002 0.000 0.223 395 S C 1.012 175.752 174.600 0.233 0.000 1.019 395 S CA 0.577 58.887 58.200 0.182 0.000 0.937 395 S CB 0.006 63.311 63.200 0.176 0.000 0.788 395 S HN 1.054 nan 8.310 nan 0.000 0.511 396 F N 3.453 123.475 119.950 0.121 0.000 2.502 396 F HA 0.505 5.033 4.527 0.002 0.000 0.361 396 F C -0.084 175.766 175.800 0.083 0.000 1.157 396 F CA -0.552 57.489 58.000 0.069 0.000 1.096 396 F CB -0.054 39.018 39.000 0.120 0.000 1.141 396 F HN -0.069 nan 8.300 nan 0.000 0.579 397 K N 5.195 125.208 120.400 -0.644 0.000 2.389 397 K HA 0.207 4.528 4.320 0.002 0.000 0.261 397 K C -0.413 175.782 176.600 -0.676 0.000 1.014 397 K CA -0.449 55.553 56.287 -0.475 0.000 0.920 397 K CB 0.900 33.362 32.500 -0.063 0.000 1.149 397 K HN 0.599 nan 8.250 nan 0.000 0.444 398 E N 3.482 123.313 120.200 -0.615 0.000 2.301 398 E HA 0.335 4.687 4.350 0.002 0.000 0.275 398 E C -0.372 176.201 176.600 -0.045 0.000 1.030 398 E CA -0.592 55.609 56.400 -0.332 0.000 0.852 398 E CB 0.744 30.366 29.700 -0.131 0.000 1.060 398 E HN 0.559 nan 8.360 nan 0.000 0.401 399 I N -0.010 120.567 120.570 0.010 0.000 2.957 399 I HA 0.371 4.542 4.170 0.002 0.000 0.310 399 I C 0.178 176.305 176.117 0.016 0.000 1.063 399 I CA -1.122 60.213 61.300 0.058 0.000 1.033 399 I CB 1.449 39.436 38.000 -0.022 0.000 1.230 399 I HN 0.629 nan 8.210 nan 0.000 0.447 400 M N 1.264 120.878 119.600 0.023 0.000 2.206 400 M HA -0.208 4.273 4.480 0.002 0.000 0.197 400 M C 0.647 176.940 176.300 -0.011 0.000 0.375 400 M CA 0.144 55.456 55.300 0.021 0.000 0.410 400 M CB -1.749 30.864 32.600 0.021 0.000 1.204 400 M HN 0.689 nan 8.290 nan 0.000 0.932 401 V N 0.040 119.925 119.914 -0.048 0.000 2.261 401 V HA -0.188 3.933 4.120 0.002 0.000 0.246 401 V C -0.194 175.788 176.094 -0.187 0.000 1.047 401 V CA 2.581 64.827 62.300 -0.089 0.000 1.015 401 V CB -1.302 30.505 31.823 -0.027 0.000 0.642 401 V HN 0.439 nan 8.190 nan 0.000 0.446 402 P HA -0.098 nan 4.420 nan 0.000 0.222 402 P C 0.256 177.465 177.300 -0.151 0.000 1.153 402 P CA 0.632 63.499 63.100 -0.387 0.000 0.798 402 P CB -0.019 31.110 31.700 -0.951 0.000 0.796 403 W N 1.193 122.324 121.300 -0.282 0.000 2.272 403 W HA 0.468 5.129 4.660 0.003 0.000 0.318 403 W C 0.085 176.540 176.519 -0.107 0.000 1.255 403 W CA -0.286 56.963 57.345 -0.160 0.000 1.200 403 W CB -0.179 29.188 29.460 -0.155 0.000 1.170 403 W HN 0.168 nan 8.180 nan 0.000 0.549 404 A N 4.987 127.416 122.820 -0.652 0.000 2.362 404 A HA -0.323 3.998 4.320 0.002 0.000 0.290 404 A C 1.284 178.657 177.584 -0.352 0.000 1.441 404 A CA 1.390 53.025 52.037 -0.671 0.000 0.743 404 A CB -1.724 16.530 19.000 -1.244 0.000 1.125 404 A HN 0.823 nan 8.150 nan 0.000 0.378 405 Q N -0.135 119.530 119.800 -0.224 0.000 2.561 405 Q HA -0.108 4.234 4.340 0.002 0.000 0.217 405 Q C 1.842 177.759 176.000 -0.138 0.000 0.980 405 Q CA 1.381 57.089 55.803 -0.159 0.000 0.927 405 Q CB -0.411 28.248 28.738 -0.132 0.000 0.980 405 Q HN 1.174 nan 8.270 nan 0.000 0.525 406 T N -3.538 110.951 114.554 -0.110 0.000 3.129 406 T HA 0.223 4.575 4.350 0.002 0.000 0.251 406 T C 0.297 174.980 174.700 -0.027 0.000 1.117 406 T CA -0.267 61.800 62.100 -0.054 0.000 1.034 406 T CB 0.492 69.399 68.868 0.064 0.000 0.968 406 T HN 0.040 nan 8.240 nan 0.000 0.526 407 V N 1.037 120.941 119.914 -0.017 0.000 2.808 407 V HA 0.600 4.722 4.120 0.002 0.000 0.308 407 V C -1.368 174.728 176.094 0.004 0.000 1.099 407 V CA -0.904 61.430 62.300 0.056 0.000 0.920 407 V CB 2.355 34.337 31.823 0.265 0.000 1.014 407 V HN 0.182 nan 8.190 nan 0.000 0.425 408 V N 5.569 125.500 119.914 0.028 0.000 2.398 408 V HA 0.693 4.815 4.120 0.002 0.000 0.286 408 V C 0.232 176.426 176.094 0.167 0.000 1.026 408 V CA -0.093 62.248 62.300 0.069 0.000 0.868 408 V CB 1.861 33.703 31.823 0.032 0.000 0.982 408 V HN 1.036 nan 8.190 nan 0.000 0.443 409 T N 1.340 116.001 114.554 0.177 0.000 2.841 409 T HA 0.937 5.288 4.350 0.002 0.000 0.283 409 T C -0.112 174.739 174.700 0.251 0.000 1.000 409 T CA -0.136 62.100 62.100 0.227 0.000 0.977 409 T CB 1.987 70.909 68.868 0.089 0.000 0.979 409 T HN 1.260 nan 8.240 nan 0.000 0.446 410 G N 1.584 110.587 108.800 0.338 0.000 2.340 410 G HA2 0.559 4.521 3.960 0.002 0.000 0.299 410 G HA3 0.559 4.521 3.960 0.002 0.000 0.299 410 G C -1.880 172.921 174.900 -0.165 0.000 1.291 410 G CA -1.161 43.966 45.100 0.044 0.000 0.841 410 G HN 0.810 nan 8.290 nan 0.000 0.500 411 R N -0.775 119.419 120.500 -0.509 0.000 2.711 411 R HA 0.857 5.198 4.340 0.002 0.000 0.284 411 R C -0.145 175.800 176.300 -0.591 0.000 0.968 411 R CA -0.089 55.550 56.100 -0.769 0.000 0.924 411 R CB 2.124 31.628 30.300 -1.326 0.000 1.162 411 R HN 1.045 nan 8.270 nan 0.000 0.465 412 A N 1.682 124.260 122.820 -0.404 0.000 2.529 412 A HA 0.704 5.026 4.320 0.002 0.000 0.296 412 A C -1.339 176.252 177.584 0.012 0.000 1.205 412 A CA -0.807 51.118 52.037 -0.187 0.000 0.671 412 A CB 1.670 20.223 19.000 -0.745 0.000 1.301 412 A HN 0.615 nan 8.150 nan 0.000 0.450 413 R N -0.669 119.882 120.500 0.085 0.000 2.628 413 R HA 0.581 4.923 4.340 0.002 0.000 0.288 413 R C -2.010 174.469 176.300 0.298 0.000 0.980 413 R CA -0.731 55.468 56.100 0.165 0.000 0.891 413 R CB 2.037 32.404 30.300 0.111 0.000 1.188 413 R HN 0.499 nan 8.270 nan 0.000 0.450 414 L N 2.116 123.522 121.223 0.305 0.000 2.366 414 L HA 0.409 4.751 4.340 0.002 0.000 0.266 414 L C 0.544 177.529 176.870 0.190 0.000 1.010 414 L CA 0.473 55.499 54.840 0.309 0.000 0.879 414 L CB 1.351 43.669 42.059 0.431 0.000 1.228 414 L HN 0.905 nan 8.230 nan 0.000 0.439 415 G N 3.125 111.914 108.800 -0.019 0.000 2.225 415 G HA2 -0.054 3.907 3.960 0.002 0.000 0.267 415 G HA3 -0.054 3.907 3.960 0.002 0.000 0.267 415 G C 1.049 175.936 174.900 -0.021 0.000 1.024 415 G CA 0.673 45.643 45.100 -0.217 0.000 0.784 415 G HN 2.010 nan 8.290 nan 0.000 0.507 416 G N -1.578 107.230 108.800 0.014 0.000 2.194 416 G HA2 -0.232 3.730 3.960 0.002 0.000 0.236 416 G HA3 -0.232 3.730 3.960 0.002 0.000 0.236 416 G C 0.417 175.339 174.900 0.037 0.000 0.987 416 G CA 0.229 45.333 45.100 0.006 0.000 0.635 416 G HN 1.347 nan 8.290 nan 0.000 0.520 417 I N 4.003 124.629 120.570 0.093 0.000 2.363 417 I HA 0.277 4.449 4.170 0.002 0.000 0.292 417 I C -1.623 174.558 176.117 0.106 0.000 1.075 417 I CA -1.989 59.361 61.300 0.083 0.000 1.333 417 I CB 0.975 39.020 38.000 0.075 0.000 1.415 417 I HN -0.053 nan 8.210 nan 0.000 0.502 418 P HA 0.134 nan 4.420 nan 0.000 0.276 418 P C -0.667 176.683 177.300 0.083 0.000 1.235 418 P CA -0.042 63.150 63.100 0.153 0.000 0.772 418 P CB 1.258 33.086 31.700 0.214 0.000 0.871 419 V N 0.558 120.478 119.914 0.009 0.000 3.001 419 V HA 0.907 5.028 4.120 0.002 0.000 0.314 419 V C 0.135 176.061 176.094 -0.280 0.000 1.099 419 V CA -1.098 61.173 62.300 -0.049 0.000 0.989 419 V CB 1.690 33.571 31.823 0.095 0.000 1.040 419 V HN 0.593 nan 8.190 nan 0.000 0.434 420 G N 0.957 109.553 108.800 -0.341 0.000 2.372 420 G HA2 0.574 4.535 3.960 0.002 0.000 0.283 420 G HA3 0.574 4.535 3.960 0.002 0.000 0.283 420 G C -0.815 173.969 174.900 -0.192 0.000 1.177 420 G CA -0.476 44.132 45.100 -0.821 0.000 0.842 420 G HN 1.077 nan 8.290 nan 0.000 0.503 421 V N 3.516 123.408 119.914 -0.037 0.000 2.540 421 V HA 0.492 4.614 4.120 0.002 0.000 0.302 421 V C -0.157 176.201 176.094 0.440 0.000 1.035 421 V CA -0.605 61.864 62.300 0.282 0.000 0.873 421 V CB 1.592 33.577 31.823 0.269 0.000 0.992 421 V HN 0.631 nan 8.190 nan 0.000 0.428 422 I N 3.768 124.582 120.570 0.407 0.000 2.447 422 I HA 0.824 4.996 4.170 0.002 0.000 0.287 422 I C -0.144 176.170 176.117 0.329 0.000 1.023 422 I CA -0.594 60.925 61.300 0.366 0.000 1.083 422 I CB 2.005 40.222 38.000 0.362 0.000 1.245 422 I HN 0.717 nan 8.210 nan 0.000 0.434 423 A N 4.694 127.639 122.820 0.208 0.000 2.427 423 A HA 0.844 5.166 4.320 0.002 0.000 0.298 423 A C -0.457 177.027 177.584 -0.167 0.000 1.036 423 A CA -0.577 51.476 52.037 0.027 0.000 0.701 423 A CB 1.552 20.527 19.000 -0.042 0.000 1.250 423 A HN 0.802 nan 8.150 nan 0.000 0.412 424 A N 1.508 124.002 122.820 -0.544 0.000 2.440 424 A HA 0.538 4.859 4.320 0.002 0.000 0.251 424 A C 0.210 177.451 177.584 -0.572 0.000 1.089 424 A CA 0.080 51.617 52.037 -0.832 0.000 0.779 424 A CB 0.042 17.968 19.000 -1.790 0.000 1.022 424 A HN 0.927 nan 8.150 nan 0.000 0.492 425 E N 1.234 121.168 120.200 -0.443 0.000 2.227 425 E HA 0.370 4.721 4.350 0.002 0.000 0.282 425 E C 1.009 177.358 176.600 -0.418 0.000 1.015 425 E CA 0.284 56.449 56.400 -0.393 0.000 0.823 425 E CB 0.969 30.507 29.700 -0.270 0.000 1.081 425 E HN 0.628 nan 8.360 nan 0.000 0.396 426 T N 1.350 115.620 114.554 -0.472 0.000 3.044 426 T HA 0.210 4.561 4.350 0.002 0.000 0.255 426 T C 0.631 175.161 174.700 -0.283 0.000 1.073 426 T CA -0.015 61.839 62.100 -0.409 0.000 1.125 426 T CB 0.030 68.589 68.868 -0.516 0.000 0.908 426 T HN 0.308 nan 8.240 nan 0.000 0.480 427 R N 1.784 122.117 120.500 -0.279 0.000 2.582 427 R HA 0.459 4.801 4.340 0.002 0.000 0.271 427 R C -0.247 175.964 176.300 -0.148 0.000 1.078 427 R CA -0.326 55.658 56.100 -0.193 0.000 1.127 427 R CB 0.228 30.407 30.300 -0.202 0.000 1.038 427 R HN 0.085 nan 8.270 nan 0.000 0.500 428 T N 2.250 116.742 114.554 -0.103 0.000 2.834 428 T HA 0.204 4.556 4.350 0.002 0.000 0.298 428 T C 0.310 174.950 174.700 -0.099 0.000 0.966 428 T CA -0.490 61.561 62.100 -0.083 0.000 1.141 428 T CB 0.534 69.370 68.868 -0.053 0.000 0.905 428 T HN 0.414 nan 8.240 nan 0.000 0.535 429 V N 1.297 121.140 119.914 -0.119 0.000 3.093 429 V HA 0.684 4.806 4.120 0.002 0.000 0.320 429 V C -0.218 175.808 176.094 -0.114 0.000 1.093 429 V CA -1.045 61.183 62.300 -0.121 0.000 1.016 429 V CB 1.870 33.611 31.823 -0.136 0.000 1.096 429 V HN 0.831 nan 8.190 nan 0.000 0.452 430 E N 1.318 121.466 120.200 -0.088 0.000 2.182 430 E HA 0.473 4.824 4.350 0.002 0.000 0.258 430 E C -1.784 174.788 176.600 -0.047 0.000 0.879 430 E CA -0.822 55.539 56.400 -0.065 0.000 0.754 430 E CB 1.832 31.509 29.700 -0.039 0.000 1.162 430 E HN 0.771 nan 8.360 nan 0.000 0.419 431 L N 5.357 126.547 121.223 -0.055 0.000 2.275 431 L HA 0.371 4.713 4.340 0.002 0.000 0.288 431 L C -1.365 175.504 176.870 -0.001 0.000 1.046 431 L CA -0.483 54.343 54.840 -0.023 0.000 0.805 431 L CB 1.530 43.556 42.059 -0.055 0.000 1.193 431 L HN 0.299 nan 8.230 nan 0.000 0.426 432 V N 6.456 126.385 119.914 0.024 0.000 2.266 432 V HA 0.292 4.413 4.120 0.002 0.000 0.271 432 V C -0.090 176.013 176.094 0.015 0.000 1.032 432 V CA -0.749 61.559 62.300 0.013 0.000 0.806 432 V CB 1.215 33.040 31.823 0.003 0.000 1.052 432 V HN 0.541 nan 8.190 nan 0.000 0.449 433 V N 8.278 128.204 119.914 0.019 0.000 2.470 433 V HA 0.204 4.326 4.120 0.002 0.000 0.276 433 V C -1.503 174.596 176.094 0.010 0.000 1.040 433 V CA -1.107 61.208 62.300 0.025 0.000 1.008 433 V CB 1.019 32.863 31.823 0.035 0.000 0.990 433 V HN 0.655 nan 8.190 nan 0.000 0.477 434 P HA 0.261 nan 4.420 nan 0.000 0.274 434 P C -0.418 176.888 177.300 0.011 0.000 1.237 434 P CA -0.340 62.755 63.100 -0.007 0.000 0.793 434 P CB 0.819 32.505 31.700 -0.022 0.000 0.977 435 A N 1.385 124.212 122.820 0.011 0.000 2.462 435 A HA 0.115 4.436 4.320 0.002 0.000 0.243 435 A C 0.339 177.942 177.584 0.033 0.000 1.076 435 A CA -0.078 51.971 52.037 0.019 0.000 0.773 435 A CB -0.523 18.485 19.000 0.013 0.000 1.010 435 A HN 0.519 nan 8.150 nan 0.000 0.493 436 D N 2.787 123.210 120.400 0.038 0.000 2.344 436 D HA 0.284 4.925 4.640 0.002 0.000 0.253 436 D C -1.591 174.738 176.300 0.047 0.000 1.255 436 D CA -1.857 52.177 54.000 0.058 0.000 0.894 436 D CB 0.928 41.759 40.800 0.051 0.000 1.067 436 D HN 0.157 nan 8.370 nan 0.000 0.492 437 P HA -0.065 nan 4.420 nan 0.000 0.226 437 P C 0.743 177.995 177.300 -0.079 0.000 1.146 437 P CA 0.647 63.751 63.100 0.006 0.000 0.773 437 P CB 0.230 31.959 31.700 0.049 0.000 0.772 438 A N -1.015 121.780 122.820 -0.042 0.000 2.016 438 A HA -0.068 4.254 4.320 0.002 0.000 0.217 438 A C 1.303 178.864 177.584 -0.038 0.000 1.162 438 A CA 0.546 52.543 52.037 -0.068 0.000 0.662 438 A CB -0.683 18.318 19.000 0.002 0.000 0.812 438 A HN 0.213 nan 8.150 nan 0.000 0.450 439 N N 0.562 119.253 118.700 -0.014 0.000 2.558 439 N HA 0.310 5.052 4.740 0.002 0.000 0.242 439 N C -0.118 175.385 175.510 -0.012 0.000 0.979 439 N CA -0.429 52.616 53.050 -0.008 0.000 0.931 439 N CB 0.804 39.294 38.487 0.006 0.000 1.122 439 N HN 0.045 nan 8.380 nan 0.000 0.508 440 L N 3.047 124.258 121.223 -0.020 0.000 2.549 440 L HA -0.065 4.277 4.340 0.002 0.000 0.230 440 L C 0.569 177.434 176.870 -0.010 0.000 1.162 440 L CA 1.576 56.404 54.840 -0.019 0.000 0.834 440 L CB -0.178 41.867 42.059 -0.024 0.000 0.947 440 L HN 0.576 nan 8.230 nan 0.000 0.452 441 D N -2.669 117.728 120.400 -0.006 0.000 2.363 441 D HA 0.066 4.707 4.640 0.002 0.000 0.214 441 D C 0.829 177.130 176.300 0.002 0.000 1.093 441 D CA 0.060 54.059 54.000 -0.002 0.000 0.837 441 D CB 0.339 41.138 40.800 -0.001 0.000 0.948 441 D HN 0.038 nan 8.370 nan 0.000 0.507 442 S N 0.670 116.372 115.700 0.004 0.000 2.632 442 S HA 0.331 4.802 4.470 0.002 0.000 0.267 442 S C -0.319 174.285 174.600 0.008 0.000 1.276 442 S CA -0.486 57.720 58.200 0.009 0.000 0.998 442 S CB 0.522 63.731 63.200 0.014 0.000 0.953 442 S HN 0.268 nan 8.310 nan 0.000 0.547 443 E N 0.524 120.730 120.200 0.010 0.000 2.412 443 E HA 0.586 4.937 4.350 0.002 0.000 0.279 443 E C -1.418 175.187 176.600 0.009 0.000 0.984 443 E CA -1.274 55.130 56.400 0.008 0.000 0.788 443 E CB 1.168 30.872 29.700 0.006 0.000 1.277 443 E HN 0.567 nan 8.360 nan 0.000 0.455 444 A N 1.749 124.573 122.820 0.006 0.000 2.491 444 A HA 0.224 4.546 4.320 0.002 0.000 0.261 444 A C 0.045 177.633 177.584 0.007 0.000 1.101 444 A CA -0.003 52.037 52.037 0.005 0.000 0.772 444 A CB -0.001 18.998 19.000 -0.002 0.000 1.043 444 A HN 0.495 nan 8.150 nan 0.000 0.501 445 K N 2.965 123.372 120.400 0.011 0.000 2.276 445 K HA 0.494 4.816 4.320 0.002 0.000 0.285 445 K C -1.097 175.508 176.600 0.008 0.000 1.062 445 K CA -0.033 56.261 56.287 0.012 0.000 0.918 445 K CB 0.258 32.770 32.500 0.019 0.000 1.055 445 K HN 0.504 nan 8.250 nan 0.000 0.477 446 I N 6.124 126.696 120.570 0.004 0.000 2.336 446 I HA 0.365 4.537 4.170 0.002 0.000 0.292 446 I C -0.505 175.608 176.117 -0.007 0.000 0.991 446 I CA -0.285 61.013 61.300 -0.003 0.000 1.227 446 I CB 1.220 39.218 38.000 -0.003 0.000 1.366 446 I HN 0.549 nan 8.210 nan 0.000 0.466 447 I N 5.462 126.019 120.570 -0.021 0.000 2.647 447 I HA 0.363 4.535 4.170 0.002 0.000 0.295 447 I C -0.734 175.342 176.117 -0.069 0.000 1.078 447 I CA -0.775 60.503 61.300 -0.036 0.000 1.048 447 I CB 1.857 39.834 38.000 -0.037 0.000 1.239 447 I HN 0.378 nan 8.210 nan 0.000 0.421 448 Q N 5.333 125.092 119.800 -0.069 0.000 2.293 448 Q HA 0.482 4.823 4.340 0.002 0.000 0.261 448 Q C -1.249 174.659 176.000 -0.154 0.000 0.960 448 Q CA -0.554 55.196 55.803 -0.089 0.000 0.882 448 Q CB 2.116 30.829 28.738 -0.043 0.000 1.275 448 Q HN 0.530 nan 8.270 nan 0.000 0.445 449 Q N 0.785 120.438 119.800 -0.245 0.000 2.327 449 Q HA 0.629 4.970 4.340 0.002 0.000 0.270 449 Q C -0.780 175.142 176.000 -0.131 0.000 1.022 449 Q CA -0.665 54.852 55.803 -0.477 0.000 0.773 449 Q CB 2.075 30.263 28.738 -0.917 0.000 1.251 449 Q HN 0.689 nan 8.270 nan 0.000 0.457 450 A N 2.072 124.985 122.820 0.155 0.000 2.462 450 A HA 0.511 4.833 4.320 0.002 0.000 0.243 450 A C 0.640 178.310 177.584 0.143 0.000 1.076 450 A CA 0.261 52.390 52.037 0.154 0.000 0.773 450 A CB 0.189 19.305 19.000 0.192 0.000 1.010 450 A HN 0.776 nan 8.150 nan 0.000 0.493 451 G N -0.050 108.750 108.800 0.000 0.000 2.594 451 G HA2 0.412 4.373 3.960 0.002 0.000 0.243 451 G HA3 0.412 4.373 3.960 0.002 0.000 0.243 451 G C 0.231 175.069 174.900 -0.105 0.000 1.229 451 G CA 0.284 45.331 45.100 -0.087 0.000 0.843 451 G HN 1.101 nan 8.290 nan 0.000 0.578 452 Q N -2.464 117.199 119.800 -0.229 0.000 2.489 452 Q HA -0.171 4.171 4.340 0.002 0.000 0.259 452 Q C -0.363 175.562 176.000 -0.126 0.000 0.934 452 Q CA 0.536 56.136 55.803 -0.338 0.000 1.131 452 Q CB -2.008 26.566 28.738 -0.272 0.000 1.472 452 Q HN 0.349 nan 8.270 nan 0.000 0.560 453 V N -0.030 119.890 119.914 0.010 0.000 2.656 453 V HA 0.452 4.573 4.120 0.002 0.000 0.307 453 V C -0.185 175.980 176.094 0.118 0.000 1.051 453 V CA -0.676 61.637 62.300 0.022 0.000 0.893 453 V CB 1.619 33.380 31.823 -0.102 0.000 0.999 453 V HN 0.195 nan 8.190 nan 0.000 0.426 454 W N 4.047 125.292 121.300 -0.093 0.000 2.342 454 W HA 0.534 5.196 4.660 0.003 0.000 0.310 454 W C -0.376 176.104 176.519 -0.066 0.000 1.128 454 W CA -1.038 56.239 57.345 -0.113 0.000 1.322 454 W CB 0.882 30.012 29.460 -0.551 0.000 1.251 454 W HN 0.431 nan 8.180 nan 0.000 0.439 455 F N 4.788 124.911 119.950 0.288 0.000 2.380 455 F HA 0.242 4.770 4.527 0.002 0.000 0.319 455 F C -0.848 175.060 175.800 0.180 0.000 1.113 455 F CA -2.014 56.104 58.000 0.195 0.000 1.056 455 F CB 0.002 39.066 39.000 0.106 0.000 1.289 455 F HN 0.110 nan 8.300 nan 0.000 0.515 456 P HA -0.188 nan 4.420 nan 0.000 0.216 456 P C 0.822 178.142 177.300 0.033 0.000 1.150 456 P CA 1.756 64.959 63.100 0.171 0.000 0.843 456 P CB -0.028 31.757 31.700 0.142 0.000 0.787 457 D N -0.598 119.853 120.400 0.086 0.000 2.103 457 D HA -0.121 4.520 4.640 0.002 0.000 0.199 457 D C 1.693 177.874 176.300 -0.198 0.000 0.978 457 D CA 1.861 55.859 54.000 -0.004 0.000 0.829 457 D CB -1.361 39.444 40.800 0.008 0.000 0.981 457 D HN 0.165 nan 8.370 nan 0.000 0.464 458 S N 0.893 116.568 115.700 -0.042 0.000 2.399 458 S HA -0.017 4.454 4.470 0.002 0.000 0.231 458 S C 2.262 176.973 174.600 0.185 0.000 1.022 458 S CA 1.040 59.273 58.200 0.055 0.000 0.983 458 S CB -0.705 62.660 63.200 0.274 0.000 0.803 458 S HN 0.502 nan 8.310 nan 0.000 0.480 459 A N 1.203 124.126 122.820 0.171 0.000 1.898 459 A HA -0.032 4.289 4.320 0.002 0.000 0.216 459 A C 2.081 179.748 177.584 0.139 0.000 1.181 459 A CA 1.369 53.395 52.037 -0.019 0.000 0.620 459 A CB -1.083 17.984 19.000 0.112 0.000 0.819 459 A HN 0.508 nan 8.150 nan 0.000 0.442 460 Y N 0.685 121.016 120.300 0.051 0.000 2.145 460 Y HA -0.167 4.384 4.550 0.002 0.000 0.286 460 Y C 2.280 178.258 175.900 0.130 0.000 1.145 460 Y CA 1.921 60.118 58.100 0.161 0.000 1.148 460 Y CB -0.703 37.785 38.460 0.047 0.000 0.981 460 Y HN 0.358 nan 8.280 nan 0.000 0.507 461 K N -0.903 119.472 120.400 -0.043 0.000 2.032 461 K HA -0.164 4.157 4.320 0.002 0.000 0.209 461 K C 1.952 178.543 176.600 -0.015 0.000 1.048 461 K CA 2.085 58.256 56.287 -0.194 0.000 0.927 461 K CB -0.138 32.020 32.500 -0.571 0.000 0.712 461 K HN 0.285 nan 8.250 nan 0.000 0.441 462 T N 0.643 115.227 114.554 0.050 0.000 2.746 462 T HA -0.149 4.202 4.350 0.002 0.000 0.267 462 T C 1.826 176.558 174.700 0.052 0.000 1.039 462 T CA 1.320 63.475 62.100 0.092 0.000 1.142 462 T CB -0.284 68.673 68.868 0.148 0.000 0.866 462 T HN 0.374 nan 8.240 nan 0.000 0.444 463 A N 1.354 124.227 122.820 0.089 0.000 1.858 463 A HA -0.171 4.151 4.320 0.002 0.000 0.216 463 A C 2.308 179.963 177.584 0.119 0.000 1.190 463 A CA 2.028 54.144 52.037 0.133 0.000 0.617 463 A CB -0.930 18.226 19.000 0.259 0.000 0.827 463 A HN 0.435 nan 8.150 nan 0.000 0.443 464 Q N -0.119 119.764 119.800 0.138 0.000 2.077 464 Q HA -0.144 4.197 4.340 0.002 0.000 0.206 464 Q C 2.028 177.986 176.000 -0.069 0.000 0.989 464 Q CA 2.607 58.449 55.803 0.065 0.000 0.853 464 Q CB -0.606 28.152 28.738 0.034 0.000 0.907 464 Q HN 0.580 nan 8.270 nan 0.000 0.418 465 A N -0.166 122.540 122.820 -0.191 0.000 1.930 465 A HA -0.095 4.227 4.320 0.002 0.000 0.217 465 A C 2.121 179.390 177.584 -0.524 0.000 1.175 465 A CA 1.281 52.962 52.037 -0.595 0.000 0.627 465 A CB -0.676 17.988 19.000 -0.561 0.000 0.815 465 A HN 0.488 nan 8.150 nan 0.000 0.443 466 I N -0.230 120.285 120.570 -0.092 0.000 2.127 466 I HA -0.334 3.838 4.170 0.002 0.000 0.241 466 I C 2.490 178.742 176.117 0.225 0.000 1.075 466 I CA 1.871 63.259 61.300 0.146 0.000 1.334 466 I CB -0.325 37.760 38.000 0.142 0.000 1.040 466 I HN 0.303 nan 8.210 nan 0.000 0.405 467 K N 0.429 120.901 120.400 0.119 0.000 2.057 467 K HA -0.188 4.134 4.320 0.002 0.000 0.207 467 K C 1.739 178.397 176.600 0.097 0.000 1.049 467 K CA 1.767 58.125 56.287 0.118 0.000 0.931 467 K CB -0.257 32.336 32.500 0.155 0.000 0.714 467 K HN 0.264 nan 8.250 nan 0.000 0.440 468 D N 0.248 120.700 120.400 0.087 0.000 2.117 468 D HA -0.117 4.524 4.640 0.002 0.000 0.198 468 D C 1.630 178.041 176.300 0.185 0.000 0.982 468 D CA 1.047 55.123 54.000 0.127 0.000 0.828 468 D CB -0.134 40.680 40.800 0.023 0.000 0.967 468 D HN 0.064 nan 8.370 nan 0.000 0.464 469 F N 0.460 120.471 119.950 0.101 0.000 2.407 469 F HA 0.035 4.564 4.527 0.003 0.000 0.299 469 F C 2.119 177.934 175.800 0.025 0.000 1.097 469 F CA 0.354 58.412 58.000 0.097 0.000 1.422 469 F CB -0.952 38.163 39.000 0.192 0.000 1.067 469 F HN -0.048 nan 8.300 nan 0.000 0.539 470 N N 0.740 119.496 118.700 0.094 0.000 2.300 470 N HA -0.096 4.645 4.740 0.002 0.000 0.179 470 N C 1.529 176.908 175.510 -0.219 0.000 1.016 470 N CA 0.783 53.633 53.050 -0.333 0.000 0.876 470 N CB -0.035 38.168 38.487 -0.474 0.000 0.979 470 N HN 0.113 nan 8.380 nan 0.000 0.432 471 R N -0.145 120.268 120.500 -0.146 0.000 2.310 471 R HA 0.173 4.514 4.340 0.002 0.000 0.202 471 R C 0.802 177.048 176.300 -0.091 0.000 0.933 471 R CA 0.326 56.313 56.100 -0.189 0.000 1.054 471 R CB 0.235 30.295 30.300 -0.400 0.000 0.985 471 R HN 0.313 nan 8.270 nan 0.000 0.489 472 E N 0.221 120.414 120.200 -0.012 0.000 2.489 472 E HA 0.087 4.438 4.350 0.002 0.000 0.204 472 E C -0.280 176.330 176.600 0.016 0.000 1.006 472 E CA -0.102 56.317 56.400 0.032 0.000 0.936 472 E CB 0.582 30.338 29.700 0.093 0.000 1.002 472 E HN -0.009 nan 8.360 nan 0.000 0.488 473 K N 0.556 120.940 120.400 -0.025 0.000 3.125 473 K HA -0.194 4.128 4.320 0.002 0.000 0.268 473 K C -0.653 175.953 176.600 0.010 0.000 1.078 473 K CA 0.525 56.790 56.287 -0.036 0.000 0.775 473 K CB -1.860 30.624 32.500 -0.026 0.000 1.253 473 K HN 0.248 nan 8.250 nan 0.000 0.486 474 L N 0.818 122.064 121.223 0.038 0.000 2.343 474 L HA 0.396 4.737 4.340 0.002 0.000 0.275 474 L C -1.834 175.138 176.870 0.170 0.000 1.056 474 L CA -2.188 52.697 54.840 0.076 0.000 0.804 474 L CB 0.996 43.071 42.059 0.027 0.000 1.203 474 L HN -0.114 nan 8.230 nan 0.000 0.440 475 P HA 0.224 nan 4.420 nan 0.000 0.274 475 P C -1.192 176.249 177.300 0.234 0.000 1.256 475 P CA -0.505 62.736 63.100 0.235 0.000 0.795 475 P CB 0.833 32.618 31.700 0.141 0.000 1.038 476 L N 1.365 122.698 121.223 0.183 0.000 2.362 476 L HA 0.519 4.860 4.340 0.002 0.000 0.275 476 L C -0.941 175.970 176.870 0.068 0.000 0.998 476 L CA -0.459 54.431 54.840 0.083 0.000 0.820 476 L CB 1.042 42.983 42.059 -0.196 0.000 1.270 476 L HN 0.265 nan 8.230 nan 0.000 0.415 477 M N 6.958 126.642 119.600 0.140 0.000 2.134 477 M HA 0.490 4.971 4.480 0.002 0.000 0.310 477 M C -1.184 175.214 176.300 0.164 0.000 0.966 477 M CA -0.311 55.074 55.300 0.141 0.000 0.922 477 M CB 1.640 34.445 32.600 0.341 0.000 1.537 477 M HN 0.432 nan 8.290 nan 0.000 0.424 478 I N 2.930 123.507 120.570 0.011 0.000 2.389 478 I HA 0.391 4.563 4.170 0.002 0.000 0.288 478 I C -1.070 174.989 176.117 -0.096 0.000 0.999 478 I CA -0.490 60.871 61.300 0.101 0.000 1.129 478 I CB 1.300 39.394 38.000 0.157 0.000 1.288 478 I HN 0.514 nan 8.210 nan 0.000 0.444 479 F N 5.100 125.072 119.950 0.036 0.000 2.303 479 F HA 0.473 5.001 4.527 0.001 0.000 0.368 479 F C 0.845 176.511 175.800 -0.223 0.000 1.105 479 F CA -0.521 57.421 58.000 -0.097 0.000 1.153 479 F CB 1.057 39.980 39.000 -0.128 0.000 1.362 479 F HN 0.485 nan 8.300 nan 0.000 0.511 480 A N 3.255 126.018 122.820 -0.094 0.000 2.396 480 A HA 0.426 4.747 4.320 0.002 0.000 0.279 480 A C 0.167 177.560 177.584 -0.319 0.000 1.165 480 A CA -0.153 51.801 52.037 -0.138 0.000 0.824 480 A CB -0.012 19.001 19.000 0.023 0.000 1.100 480 A HN 0.639 nan 8.150 nan 0.000 0.516 481 N N 2.750 121.048 118.700 -0.670 0.000 2.751 481 N HA 0.183 4.925 4.740 0.002 0.000 0.234 481 N C -2.015 173.027 175.510 -0.781 0.000 1.403 481 N CA -0.185 52.508 53.050 -0.594 0.000 0.747 481 N CB 0.366 38.514 38.487 -0.564 0.000 1.326 481 N HN 0.686 nan 8.380 nan 0.000 0.532 482 W N 1.677 122.774 121.300 -0.338 0.000 2.739 482 W HA 0.381 5.043 4.660 0.003 0.000 0.331 482 W C 1.045 177.405 176.519 -0.264 0.000 1.049 482 W CA -0.488 56.593 57.345 -0.439 0.000 1.234 482 W CB 1.567 30.549 29.460 -0.797 0.000 1.404 482 W HN 0.287 nan 8.180 nan 0.000 0.477 483 R N 1.214 121.710 120.500 -0.006 0.000 2.161 483 R HA 0.274 4.616 4.340 0.002 0.000 0.213 483 R C 1.067 177.381 176.300 0.023 0.000 1.055 483 R CA 0.995 57.096 56.100 0.002 0.000 0.996 483 R CB 0.369 30.656 30.300 -0.022 0.000 0.901 483 R HN 0.597 nan 8.270 nan 0.000 0.456 484 G N -0.868 107.925 108.800 -0.013 0.000 2.369 484 G HA2 0.013 3.975 3.960 0.002 0.000 0.295 484 G HA3 0.013 3.975 3.960 0.002 0.000 0.295 484 G C -1.357 173.504 174.900 -0.066 0.000 1.298 484 G CA -1.117 43.979 45.100 -0.006 0.000 0.940 484 G HN -0.018 nan 8.290 nan 0.000 0.536 485 F N 1.454 121.464 119.950 0.101 0.000 2.371 485 F HA 0.537 5.066 4.527 0.003 0.000 0.329 485 F C 1.507 177.258 175.800 -0.081 0.000 1.107 485 F CA 0.255 58.288 58.000 0.055 0.000 1.137 485 F CB 1.712 40.744 39.000 0.053 0.000 1.214 485 F HN 0.493 nan 8.300 nan 0.000 0.536 486 S N 0.318 115.993 115.700 -0.042 0.000 2.488 486 S HA 0.302 4.773 4.470 0.002 0.000 0.278 486 S C 0.798 175.393 174.600 -0.009 0.000 1.259 486 S CA -0.351 57.742 58.200 -0.178 0.000 1.061 486 S CB 0.861 63.770 63.200 -0.486 0.000 0.910 486 S HN 0.921 nan 8.310 nan 0.000 0.491 487 G N 2.295 111.101 108.800 0.010 0.000 3.088 487 G HA2 0.431 4.393 3.960 0.002 0.000 0.217 487 G HA3 0.431 4.393 3.960 0.002 0.000 0.217 487 G C 0.632 175.555 174.900 0.039 0.000 1.159 487 G CA -0.221 44.898 45.100 0.033 0.000 0.760 487 G HN 0.975 nan 8.290 nan 0.000 0.550 488 G N -0.172 108.655 108.800 0.045 0.000 2.554 488 G HA2 0.260 4.222 3.960 0.002 0.000 0.238 488 G HA3 0.260 4.222 3.960 0.002 0.000 0.238 488 G C 1.101 176.048 174.900 0.078 0.000 1.259 488 G CA -0.278 44.860 45.100 0.063 0.000 0.843 488 G HN 0.024 nan 8.290 nan 0.000 0.582 489 M N 0.843 120.486 119.600 0.071 0.000 2.088 489 M HA -0.144 4.338 4.480 0.002 0.000 0.256 489 M C 2.282 178.652 176.300 0.117 0.000 1.071 489 M CA 2.061 57.408 55.300 0.077 0.000 1.097 489 M CB -0.548 32.078 32.600 0.045 0.000 1.315 489 M HN 0.541 nan 8.290 nan 0.000 0.406 490 K N 0.850 121.318 120.400 0.113 0.000 2.026 490 K HA -0.143 4.178 4.320 0.002 0.000 0.208 490 K C 1.502 178.227 176.600 0.208 0.000 1.048 490 K CA 2.218 58.596 56.287 0.152 0.000 0.929 490 K CB -0.647 31.927 32.500 0.124 0.000 0.713 490 K HN 0.422 nan 8.250 nan 0.000 0.439 491 D N -0.410 120.099 120.400 0.182 0.000 2.178 491 D HA -0.138 4.503 4.640 0.002 0.000 0.202 491 D C 1.813 178.204 176.300 0.153 0.000 0.974 491 D CA 0.923 55.035 54.000 0.187 0.000 0.841 491 D CB 0.003 40.915 40.800 0.187 0.000 0.953 491 D HN 0.211 nan 8.370 nan 0.000 0.478 492 M N -0.488 119.190 119.600 0.130 0.000 2.132 492 M HA -0.139 4.342 4.480 0.002 0.000 0.263 492 M C 2.169 178.538 176.300 0.114 0.000 1.065 492 M CA 0.872 56.229 55.300 0.094 0.000 1.122 492 M CB -0.975 31.669 32.600 0.073 0.000 1.365 492 M HN 0.082 nan 8.290 nan 0.000 0.411 493 Y N 1.775 122.104 120.300 0.048 0.000 2.181 493 Y HA -0.219 4.332 4.550 0.002 0.000 0.288 493 Y C 1.538 177.480 175.900 0.070 0.000 1.146 493 Y CA 1.700 59.828 58.100 0.048 0.000 1.164 493 Y CB -0.263 38.226 38.460 0.048 0.000 0.982 493 Y HN 0.229 nan 8.280 nan 0.000 0.515 494 D N 0.344 120.837 120.400 0.154 0.000 2.378 494 D HA -0.078 4.564 4.640 0.002 0.000 0.227 494 D C 0.295 176.680 176.300 0.142 0.000 1.012 494 D CA 1.117 55.192 54.000 0.124 0.000 0.905 494 D CB -0.205 40.710 40.800 0.190 0.000 0.895 494 D HN 0.519 nan 8.370 nan 0.000 0.532 495 Q N -2.259 117.604 119.800 0.105 0.000 2.487 495 Q HA -0.149 4.192 4.340 0.002 0.000 0.270 495 Q C 1.113 177.226 176.000 0.188 0.000 0.901 495 Q CA 0.309 56.182 55.803 0.117 0.000 1.095 495 Q CB -2.062 26.752 28.738 0.127 0.000 1.286 495 Q HN 0.184 nan 8.270 nan 0.000 0.613 496 V N 0.257 120.261 119.914 0.150 0.000 2.370 496 V HA -0.304 3.818 4.120 0.002 0.000 0.252 496 V C 1.756 177.787 176.094 -0.105 0.000 1.068 496 V CA 2.529 64.894 62.300 0.109 0.000 1.061 496 V CB -0.201 31.690 31.823 0.113 0.000 0.656 496 V HN 0.614 nan 8.190 nan 0.000 0.455 497 L N -0.601 120.517 121.223 -0.175 0.000 2.042 497 L HA -0.209 4.133 4.340 0.002 0.000 0.210 497 L C 2.727 179.356 176.870 -0.401 0.000 1.076 497 L CA 2.157 56.818 54.840 -0.298 0.000 0.749 497 L CB -0.445 41.481 42.059 -0.222 0.000 0.893 497 L HN 0.364 nan 8.230 nan 0.000 0.432 498 K N -0.864 119.274 120.400 -0.438 0.000 2.103 498 K HA -0.108 4.214 4.320 0.002 0.000 0.204 498 K C 1.943 177.925 176.600 -1.029 0.000 1.052 498 K CA 1.154 56.979 56.287 -0.771 0.000 0.945 498 K CB -0.105 31.884 32.500 -0.852 0.000 0.722 498 K HN 0.179 nan 8.250 nan 0.000 0.443 499 F N 0.597 120.320 119.950 -0.379 0.000 2.293 499 F HA 0.034 4.562 4.527 0.002 0.000 0.297 499 F C 2.469 178.116 175.800 -0.255 0.000 1.089 499 F CA 0.922 58.779 58.000 -0.239 0.000 1.377 499 F CB -0.727 38.241 39.000 -0.054 0.000 1.051 499 F HN 0.078 nan 8.300 nan 0.000 0.511 500 G N -0.291 108.347 108.800 -0.271 0.000 2.443 500 G HA2 -0.134 3.828 3.960 0.002 0.000 0.219 500 G HA3 -0.134 3.828 3.960 0.002 0.000 0.219 500 G C 1.861 176.512 174.900 -0.415 0.000 1.131 500 G CA 0.744 45.559 45.100 -0.476 0.000 0.775 500 G HN 0.413 nan 8.290 nan 0.000 0.547 501 A N 0.042 122.590 122.820 -0.453 0.000 2.014 501 A HA 0.110 4.431 4.320 0.002 0.000 0.218 501 A C 2.120 179.574 177.584 -0.217 0.000 1.163 501 A CA 1.029 52.843 52.037 -0.371 0.000 0.652 501 A CB -0.452 18.268 19.000 -0.467 0.000 0.808 501 A HN 0.350 nan 8.150 nan 0.000 0.449 502 Y N -0.051 120.155 120.300 -0.157 0.000 2.352 502 Y HA -0.037 4.514 4.550 0.002 0.000 0.292 502 Y C 2.033 177.896 175.900 -0.061 0.000 1.136 502 Y CA 0.178 58.227 58.100 -0.085 0.000 1.227 502 Y CB -0.691 37.747 38.460 -0.036 0.000 0.991 502 Y HN 0.259 nan 8.280 nan 0.000 0.545 503 I N -1.330 119.247 120.570 0.012 0.000 2.163 503 I HA -0.268 3.903 4.170 0.002 0.000 0.240 503 I C 2.237 178.329 176.117 -0.041 0.000 1.081 503 I CA 1.004 62.257 61.300 -0.078 0.000 1.353 503 I CB -0.739 37.080 38.000 -0.303 0.000 1.054 503 I HN -0.071 nan 8.210 nan 0.000 0.407 504 V N 2.031 121.911 119.914 -0.057 0.000 2.278 504 V HA -0.349 3.772 4.120 0.002 0.000 0.251 504 V C 2.003 178.107 176.094 0.016 0.000 1.062 504 V CA 2.708 64.992 62.300 -0.027 0.000 1.038 504 V CB -1.134 30.660 31.823 -0.049 0.000 0.646 504 V HN 0.618 nan 8.190 nan 0.000 0.447 505 D N -0.020 120.405 120.400 0.042 0.000 2.194 505 D HA -0.003 4.639 4.640 0.002 0.000 0.204 505 D C 2.106 178.457 176.300 0.084 0.000 0.964 505 D CA 0.999 55.039 54.000 0.066 0.000 0.846 505 D CB -0.645 40.202 40.800 0.078 0.000 0.962 505 D HN 0.376 nan 8.370 nan 0.000 0.490 506 G N 0.904 109.762 108.800 0.097 0.000 2.418 506 G HA2 -0.207 3.754 3.960 0.002 0.000 0.217 506 G HA3 -0.207 3.754 3.960 0.002 0.000 0.217 506 G C 1.603 176.608 174.900 0.175 0.000 1.158 506 G CA 0.483 45.659 45.100 0.127 0.000 0.771 506 G HN 0.240 nan 8.290 nan 0.000 0.545 507 L N -0.297 120.995 121.223 0.114 0.000 2.072 507 L HA 0.049 4.390 4.340 0.002 0.000 0.205 507 L C 2.923 179.871 176.870 0.129 0.000 1.079 507 L CA 1.103 56.002 54.840 0.099 0.000 0.752 507 L CB -0.304 41.765 42.059 0.018 0.000 0.906 507 L HN 0.199 nan 8.230 nan 0.000 0.436 508 R N 0.800 121.356 120.500 0.094 0.000 2.091 508 R HA -0.185 4.157 4.340 0.002 0.000 0.238 508 R C 1.847 178.205 176.300 0.097 0.000 1.136 508 R CA 1.524 57.674 56.100 0.083 0.000 0.959 508 R CB -0.014 30.320 30.300 0.057 0.000 0.856 508 R HN 0.239 nan 8.270 nan 0.000 0.437 509 K N -0.497 119.965 120.400 0.103 0.000 2.487 509 K HA -0.048 4.273 4.320 0.002 0.000 0.192 509 K C -0.409 176.245 176.600 0.090 0.000 1.027 509 K CA -0.152 56.182 56.287 0.078 0.000 1.054 509 K CB 0.090 32.618 32.500 0.048 0.000 0.824 509 K HN 0.122 nan 8.250 nan 0.000 0.510 510 Y N 1.548 121.869 120.300 0.035 0.000 2.544 510 Y HA -0.076 4.475 4.550 0.002 0.000 0.330 510 Y C 1.147 177.071 175.900 0.041 0.000 1.136 510 Y CA 0.541 58.667 58.100 0.044 0.000 1.417 510 Y CB 0.505 39.000 38.460 0.058 0.000 1.229 510 Y HN -0.073 nan 8.280 nan 0.000 0.532 511 R N 1.971 122.380 120.500 -0.152 0.000 2.282 511 R HA 0.093 4.434 4.340 0.002 0.000 0.195 511 R C -0.264 176.040 176.300 0.007 0.000 0.909 511 R CA 0.106 56.169 56.100 -0.061 0.000 1.039 511 R CB 0.409 30.643 30.300 -0.110 0.000 1.015 511 R HN 0.586 nan 8.270 nan 0.000 0.513 512 Q N -0.028 119.803 119.800 0.050 0.000 2.306 512 Q HA 0.348 4.689 4.340 0.002 0.000 0.269 512 Q C -2.654 173.526 176.000 0.301 0.000 1.053 512 Q CA -2.363 53.533 55.803 0.155 0.000 0.879 512 Q CB 0.705 29.511 28.738 0.114 0.000 1.344 512 Q HN -0.186 nan 8.270 nan 0.000 0.464 513 P HA 0.018 nan 4.420 nan 0.000 0.265 513 P C -1.156 176.226 177.300 0.137 0.000 1.193 513 P CA 0.101 63.287 63.100 0.144 0.000 0.765 513 P CB 0.451 32.201 31.700 0.084 0.000 0.823 514 V N 5.349 125.300 119.914 0.062 0.000 2.350 514 V HA 0.286 4.407 4.120 0.002 0.000 0.285 514 V C 0.062 176.159 176.094 0.005 0.000 1.014 514 V CA -0.390 61.889 62.300 -0.035 0.000 0.831 514 V CB 0.950 32.697 31.823 -0.127 0.000 1.000 514 V HN 0.366 nan 8.190 nan 0.000 0.433 515 L N 6.224 127.455 121.223 0.013 0.000 2.276 515 L HA 0.570 4.912 4.340 0.002 0.000 0.286 515 L C -0.413 176.453 176.870 -0.007 0.000 1.024 515 L CA -0.280 54.582 54.840 0.038 0.000 0.826 515 L CB 1.382 43.446 42.059 0.007 0.000 1.211 515 L HN 0.501 nan 8.230 nan 0.000 0.422 516 I N 3.924 124.520 120.570 0.043 0.000 2.297 516 I HA 0.214 4.386 4.170 0.002 0.000 0.291 516 I C -0.873 175.291 176.117 0.077 0.000 1.033 516 I CA -0.467 60.829 61.300 -0.007 0.000 1.253 516 I CB 0.795 38.757 38.000 -0.064 0.000 1.396 516 I HN 0.432 nan 8.210 nan 0.000 0.476 517 Y N 7.898 128.057 120.300 -0.235 0.000 2.361 517 Y HA 0.555 5.106 4.550 0.002 0.000 0.337 517 Y C -0.589 175.228 175.900 -0.139 0.000 0.965 517 Y CA -1.599 56.382 58.100 -0.198 0.000 1.091 517 Y CB 1.353 39.585 38.460 -0.379 0.000 1.182 517 Y HN 0.360 nan 8.280 nan 0.000 0.450 518 I N 9.524 129.946 120.570 -0.247 0.000 2.287 518 I HA 0.312 4.484 4.170 0.002 0.000 0.290 518 I C -2.226 173.469 176.117 -0.703 0.000 1.069 518 I CA -1.944 59.157 61.300 -0.332 0.000 1.237 518 I CB 0.589 38.530 38.000 -0.098 0.000 1.418 518 I HN 0.433 nan 8.210 nan 0.000 0.481 519 P HA 0.161 nan 4.420 nan 0.000 0.275 519 P C -2.518 174.472 177.300 -0.517 0.000 1.270 519 P CA -1.374 61.257 63.100 -0.782 0.000 0.791 519 P CB -0.528 30.764 31.700 -0.681 0.000 1.089 520 P HA 0.003 nan 4.420 nan 0.000 0.271 520 P C -0.595 176.316 177.300 -0.648 0.000 1.216 520 P CA 0.411 63.100 63.100 -0.685 0.000 0.771 520 P CB -0.216 30.969 31.700 -0.858 0.000 0.864 521 Y N -1.055 119.160 120.300 -0.142 0.000 4.668 521 Y HA -0.235 4.315 4.550 0.001 0.000 0.234 521 Y C 0.807 176.651 175.900 -0.093 0.000 1.056 521 Y CA 0.558 58.594 58.100 -0.106 0.000 2.025 521 Y CB -2.756 35.642 38.460 -0.103 0.000 1.613 521 Y HN 0.568 nan 8.280 nan 0.000 0.653 522 A N 0.926 123.708 122.820 -0.063 0.000 2.252 522 A HA 0.776 5.098 4.320 0.002 0.000 0.305 522 A C 0.458 178.000 177.584 -0.070 0.000 1.097 522 A CA 0.097 52.076 52.037 -0.097 0.000 0.849 522 A CB 1.061 19.951 19.000 -0.184 0.000 1.142 522 A HN 0.384 nan 8.150 nan 0.000 0.499 523 E N -0.610 119.545 120.200 -0.075 0.000 2.408 523 E HA 0.633 4.984 4.350 0.002 0.000 0.275 523 E C -1.977 174.630 176.600 0.012 0.000 0.935 523 E CA -0.793 55.599 56.400 -0.015 0.000 0.775 523 E CB 1.899 31.593 29.700 -0.009 0.000 1.277 523 E HN 0.298 nan 8.360 nan 0.000 0.455 524 V N 1.919 121.902 119.914 0.116 0.000 2.482 524 V HA 0.474 4.595 4.120 0.002 0.000 0.295 524 V C -0.498 175.739 176.094 0.238 0.000 1.026 524 V CA -0.826 61.599 62.300 0.208 0.000 0.856 524 V CB 1.446 33.452 31.823 0.306 0.000 1.001 524 V HN 0.571 nan 8.190 nan 0.000 0.424 525 R N 2.346 122.954 120.500 0.179 0.000 2.778 525 R HA 0.609 4.950 4.340 0.002 0.000 0.277 525 R C 1.315 177.716 176.300 0.170 0.000 0.977 525 R CA -0.054 56.130 56.100 0.140 0.000 0.950 525 R CB 1.516 31.863 30.300 0.078 0.000 1.165 525 R HN 0.817 nan 8.270 nan 0.000 0.474 526 G N 1.548 110.426 108.800 0.130 0.000 3.342 526 G HA2 -0.450 3.511 3.960 0.002 0.000 0.298 526 G HA3 -0.450 3.511 3.960 0.002 0.000 0.298 526 G C 1.160 176.179 174.900 0.199 0.000 1.203 526 G CA 1.597 46.775 45.100 0.131 0.000 1.202 526 G HN 0.695 nan 8.290 nan 0.000 1.145 527 G N -0.313 108.622 108.800 0.226 0.000 2.484 527 G HA2 0.120 4.082 3.960 0.002 0.000 0.218 527 G HA3 0.120 4.082 3.960 0.002 0.000 0.218 527 G C 2.098 177.261 174.900 0.438 0.000 1.130 527 G CA 1.895 47.191 45.100 0.326 0.000 0.784 527 G HN 1.008 nan 8.290 nan 0.000 0.543 528 S N -0.432 115.461 115.700 0.322 0.000 2.395 528 S HA -0.086 4.386 4.470 0.002 0.000 0.225 528 S C 1.914 176.707 174.600 0.321 0.000 1.027 528 S CA 0.543 58.931 58.200 0.313 0.000 0.965 528 S CB -0.416 62.826 63.200 0.070 0.000 0.812 528 S HN 0.578 nan 8.310 nan 0.000 0.482 529 W N 2.877 124.269 121.300 0.153 0.000 2.379 529 W HA 0.022 4.684 4.660 0.002 0.000 0.307 529 W C 2.545 179.131 176.519 0.112 0.000 1.200 529 W CA 1.294 58.711 57.345 0.121 0.000 1.297 529 W CB -0.732 28.779 29.460 0.084 0.000 1.140 529 W HN 0.382 nan 8.180 nan 0.000 0.507 530 A N 0.524 123.595 122.820 0.419 0.000 1.986 530 A HA -0.223 4.098 4.320 0.002 0.000 0.220 530 A C 1.999 179.684 177.584 0.169 0.000 1.171 530 A CA 2.831 55.036 52.037 0.280 0.000 0.640 530 A CB -1.190 17.935 19.000 0.208 0.000 0.811 530 A HN 0.373 nan 8.150 nan 0.000 0.451 531 V N -3.063 116.942 119.914 0.153 0.000 3.406 531 V HA 0.161 4.282 4.120 0.002 0.000 0.263 531 V C 1.602 177.696 176.094 -0.001 0.000 1.172 531 V CA 1.437 63.768 62.300 0.052 0.000 1.140 531 V CB -0.458 31.377 31.823 0.020 0.000 0.784 531 V HN 0.694 nan 8.190 nan 0.000 0.467 532 M N -0.520 119.074 119.600 -0.010 0.000 2.340 532 M HA 0.473 4.955 4.480 0.002 0.000 0.345 532 M C 0.182 176.402 176.300 -0.134 0.000 1.008 532 M CA -0.335 54.923 55.300 -0.071 0.000 0.987 532 M CB -0.094 32.471 32.600 -0.058 0.000 1.598 532 M HN 0.215 nan 8.290 nan 0.000 0.569 533 D N 2.035 122.385 120.400 -0.084 0.000 2.419 533 D HA 0.055 4.696 4.640 0.002 0.000 0.236 533 D C 0.864 177.188 176.300 0.041 0.000 1.165 533 D CA 0.912 54.905 54.000 -0.012 0.000 0.882 533 D CB 1.370 42.317 40.800 0.246 0.000 1.201 533 D HN 0.203 nan 8.370 nan 0.000 0.443 534 T N 0.990 115.591 114.554 0.079 0.000 2.721 534 T HA -0.247 4.104 4.350 0.002 0.000 0.268 534 T C 1.903 176.660 174.700 0.095 0.000 1.038 534 T CA 1.732 63.891 62.100 0.099 0.000 1.145 534 T CB -0.484 68.464 68.868 0.133 0.000 0.858 534 T HN 0.583 nan 8.240 nan 0.000 0.459 535 S N 0.991 116.749 115.700 0.098 0.000 2.474 535 S HA 0.045 4.517 4.470 0.002 0.000 0.235 535 S C 1.962 176.603 174.600 0.069 0.000 0.997 535 S CA 0.435 58.684 58.200 0.081 0.000 0.949 535 S CB -0.751 62.497 63.200 0.080 0.000 0.766 535 S HN 0.519 nan 8.310 nan 0.000 0.517 536 I N 1.304 121.913 120.570 0.066 0.000 2.439 536 I HA 0.016 4.188 4.170 0.002 0.000 0.251 536 I C 0.900 177.053 176.117 0.060 0.000 1.139 536 I CA 0.771 62.104 61.300 0.055 0.000 1.438 536 I CB -0.061 37.965 38.000 0.044 0.000 1.085 536 I HN 0.317 nan 8.210 nan 0.000 0.427 537 N N -0.046 118.695 118.700 0.069 0.000 2.824 537 N HA 0.122 4.863 4.740 0.002 0.000 0.224 537 N C -2.143 173.422 175.510 0.091 0.000 1.418 537 N CA -1.180 51.919 53.050 0.081 0.000 0.743 537 N CB 0.902 39.447 38.487 0.096 0.000 1.395 537 N HN -0.132 nan 8.380 nan 0.000 0.548 538 P HA -0.057 nan 4.420 nan 0.000 0.223 538 P C 1.501 178.876 177.300 0.126 0.000 1.151 538 P CA 0.270 63.437 63.100 0.112 0.000 0.787 538 P CB 0.792 32.549 31.700 0.096 0.000 0.788 539 L N -0.896 120.391 121.223 0.107 0.000 2.275 539 L HA -0.099 4.243 4.340 0.002 0.000 0.215 539 L C 2.405 179.339 176.870 0.107 0.000 1.119 539 L CA 1.694 56.597 54.840 0.105 0.000 0.790 539 L CB -1.078 41.035 42.059 0.090 0.000 0.919 539 L HN 0.088 nan 8.230 nan 0.000 0.443 540 C N -2.566 116.801 119.300 0.112 0.000 2.683 540 C HA 0.325 4.786 4.460 0.002 0.000 0.491 540 C C 1.160 176.202 174.990 0.087 0.000 1.342 540 C CA -0.990 58.096 59.018 0.114 0.000 2.476 540 C CB 0.180 28.020 27.740 0.166 0.000 3.150 540 C HN 0.064 nan 8.230 nan 0.000 0.551 541 I N 2.760 123.381 120.570 0.085 0.000 2.533 541 I HA 0.146 4.318 4.170 0.002 0.000 0.284 541 I C -0.119 176.057 176.117 0.097 0.000 1.109 541 I CA 1.205 62.543 61.300 0.064 0.000 1.412 541 I CB 0.216 38.242 38.000 0.043 0.000 1.396 541 I HN 0.373 nan 8.210 nan 0.000 0.543 542 E N 7.520 127.752 120.200 0.053 0.000 2.246 542 E HA 0.459 4.811 4.350 0.002 0.000 0.266 542 E C -1.161 175.449 176.600 0.016 0.000 0.880 542 E CA -0.728 55.673 56.400 0.000 0.000 0.762 542 E CB 2.489 32.067 29.700 -0.203 0.000 1.180 542 E HN 0.508 nan 8.360 nan 0.000 0.416 543 M N 2.908 122.499 119.600 -0.015 0.000 2.205 543 M HA 0.383 4.864 4.480 0.002 0.000 0.344 543 M C -1.293 174.821 176.300 -0.309 0.000 1.085 543 M CA -0.551 54.699 55.300 -0.083 0.000 1.001 543 M CB 0.815 33.393 32.600 -0.036 0.000 1.626 543 M HN 0.407 nan 8.290 nan 0.000 0.442 544 Y N 1.402 121.772 120.300 0.116 0.000 2.350 544 Y HA 0.701 5.253 4.550 0.003 0.000 0.338 544 Y C -0.119 175.947 175.900 0.277 0.000 0.961 544 Y CA -0.919 57.263 58.100 0.137 0.000 1.100 544 Y CB 1.812 40.262 38.460 -0.018 0.000 1.179 544 Y HN 0.712 nan 8.280 nan 0.000 0.454 545 A N 2.744 125.760 122.820 0.327 0.000 2.342 545 A HA 0.504 4.826 4.320 0.002 0.000 0.323 545 A C -0.963 176.785 177.584 0.272 0.000 1.125 545 A CA -0.755 51.437 52.037 0.258 0.000 0.785 545 A CB 0.873 19.984 19.000 0.185 0.000 1.221 545 A HN 0.803 nan 8.150 nan 0.000 0.463 546 D N 0.307 120.824 120.400 0.194 0.000 2.357 546 D HA 0.225 4.866 4.640 0.002 0.000 0.242 546 D C 1.319 177.650 176.300 0.051 0.000 1.153 546 D CA -0.325 53.771 54.000 0.160 0.000 0.918 546 D CB 0.737 41.546 40.800 0.015 0.000 1.181 546 D HN 0.415 nan 8.370 nan 0.000 0.435 547 R N 1.268 121.788 120.500 0.034 0.000 2.159 547 R HA -0.100 4.242 4.340 0.002 0.000 0.237 547 R C 0.526 176.804 176.300 -0.037 0.000 1.131 547 R CA 1.045 57.148 56.100 0.004 0.000 0.982 547 R CB -0.091 30.215 30.300 0.009 0.000 0.868 547 R HN 0.572 nan 8.270 nan 0.000 0.453 548 E N 0.301 120.434 120.200 -0.112 0.000 2.501 548 E HA 0.056 4.407 4.350 0.002 0.000 0.201 548 E C 0.457 176.970 176.600 -0.145 0.000 1.016 548 E CA -0.009 56.289 56.400 -0.169 0.000 0.920 548 E CB 0.554 29.971 29.700 -0.472 0.000 1.023 548 E HN 0.167 nan 8.360 nan 0.000 0.474 549 S N 0.757 116.394 115.700 -0.105 0.000 2.632 549 S HA 0.564 5.036 4.470 0.002 0.000 0.267 549 S C 0.449 175.043 174.600 -0.011 0.000 1.276 549 S CA -0.727 57.432 58.200 -0.069 0.000 0.998 549 S CB 1.946 65.109 63.200 -0.062 0.000 0.953 549 S HN -0.122 nan 8.310 nan 0.000 0.547 550 R N 0.046 120.552 120.500 0.010 0.000 2.888 550 R HA 0.887 5.228 4.340 0.002 0.000 0.266 550 R C -1.081 175.259 176.300 0.066 0.000 1.020 550 R CA -0.761 55.352 56.100 0.023 0.000 0.963 550 R CB 1.809 32.114 30.300 0.008 0.000 1.197 550 R HN 1.040 nan 8.270 nan 0.000 0.481 551 A N 0.302 123.147 122.820 0.043 0.000 2.560 551 A HA 0.597 4.918 4.320 0.002 0.000 0.300 551 A C -1.122 176.431 177.584 -0.052 0.000 1.062 551 A CA -0.326 51.741 52.037 0.051 0.000 0.767 551 A CB 1.550 20.608 19.000 0.097 0.000 1.288 551 A HN 0.549 nan 8.150 nan 0.000 0.396 552 S N -0.101 115.573 115.700 -0.043 0.000 0.000 552 S HA 0.482 4.953 4.470 0.002 0.000 0.000 552 S C 0.813 175.389 174.600 -0.040 0.000 0.000 552 S CA 0.218 58.373 58.200 -0.075 0.000 0.000 552 S CB 0.999 64.168 63.200 -0.051 0.000 0.000 552 S HN 1.230 nan 8.310 nan 0.000 0.000 553 V N 1.224 121.112 119.914 -0.043 0.000 2.283 553 V HA 0.132 4.253 4.120 0.002 0.000 0.243 553 V C 0.680 176.782 176.094 0.014 0.000 1.039 553 V CA 1.483 63.777 62.300 -0.009 0.000 1.016 553 V CB -0.575 31.238 31.823 -0.017 0.000 0.650 553 V HN 0.512 nan 8.190 nan 0.000 0.449 554 L N -0.890 120.334 121.223 0.002 0.000 2.304 554 L HA 0.492 4.834 4.340 0.002 0.000 0.268 554 L C -0.047 176.824 176.870 0.002 0.000 1.010 554 L CA -0.778 54.068 54.840 0.010 0.000 0.813 554 L CB 1.561 43.626 42.059 0.009 0.000 1.315 554 L HN 0.094 nan 8.230 nan 0.000 0.445 555 E N 0.725 120.928 120.200 0.006 0.000 2.369 555 E HA 0.103 4.455 4.350 0.002 0.000 0.255 555 E C -1.738 174.856 176.600 -0.009 0.000 1.172 555 E CA -1.310 55.090 56.400 -0.001 0.000 0.932 555 E CB 0.522 30.224 29.700 0.003 0.000 1.040 555 E HN 0.317 nan 8.360 nan 0.000 0.454 556 P HA -0.179 nan 4.420 nan 0.000 0.218 556 P C 0.347 177.640 177.300 -0.012 0.000 1.148 556 P CA 1.266 64.350 63.100 -0.028 0.000 0.822 556 P CB 0.245 31.919 31.700 -0.043 0.000 0.784 557 E N -0.369 119.834 120.200 0.005 0.000 2.058 557 E HA -0.136 4.215 4.350 0.002 0.000 0.194 557 E C 2.356 178.987 176.600 0.052 0.000 0.997 557 E CA 1.764 58.188 56.400 0.041 0.000 0.801 557 E CB -1.578 28.155 29.700 0.055 0.000 0.746 557 E HN 0.239 nan 8.360 nan 0.000 0.450 558 G N -0.128 108.693 108.800 0.035 0.000 2.418 558 G HA2 -0.269 3.692 3.960 0.002 0.000 0.217 558 G HA3 -0.269 3.692 3.960 0.002 0.000 0.217 558 G C 1.668 176.589 174.900 0.035 0.000 1.158 558 G CA 1.424 46.545 45.100 0.035 0.000 0.771 558 G HN 0.265 nan 8.290 nan 0.000 0.545 559 T N 0.718 115.285 114.554 0.021 0.000 2.746 559 T HA -0.093 4.258 4.350 0.002 0.000 0.267 559 T C 2.510 177.247 174.700 0.061 0.000 1.039 559 T CA 1.140 63.249 62.100 0.016 0.000 1.142 559 T CB -0.230 68.621 68.868 -0.028 0.000 0.866 559 T HN 0.052 nan 8.240 nan 0.000 0.444 560 V N 2.491 122.449 119.914 0.075 0.000 2.343 560 V HA -0.186 3.935 4.120 0.002 0.000 0.247 560 V C 2.695 178.880 176.094 0.151 0.000 1.051 560 V CA 2.051 64.425 62.300 0.125 0.000 1.036 560 V CB -0.685 31.157 31.823 0.032 0.000 0.654 560 V HN 0.713 nan 8.190 nan 0.000 0.451 561 E N -0.033 120.237 120.200 0.116 0.000 2.268 561 E HA -0.180 4.172 4.350 0.002 0.000 0.195 561 E C 1.965 178.615 176.600 0.084 0.000 0.995 561 E CA 1.639 58.100 56.400 0.103 0.000 0.836 561 E CB -0.252 29.496 29.700 0.080 0.000 0.763 561 E HN 0.636 nan 8.360 nan 0.000 0.491 562 I N 0.232 120.847 120.570 0.074 0.000 2.729 562 I HA -0.030 4.141 4.170 0.002 0.000 0.256 562 I C 1.976 178.127 176.117 0.057 0.000 1.115 562 I CA 0.355 61.688 61.300 0.054 0.000 1.446 562 I CB 0.193 38.215 38.000 0.037 0.000 1.176 562 I HN -0.113 nan 8.210 nan 0.000 0.446 563 K N -0.360 120.084 120.400 0.074 0.000 2.355 563 K HA 0.167 4.488 4.320 0.002 0.000 0.198 563 K C -0.450 176.204 176.600 0.090 0.000 1.039 563 K CA 0.310 56.634 56.287 0.062 0.000 1.075 563 K CB 0.695 33.219 32.500 0.041 0.000 0.870 563 K HN 0.143 nan 8.250 nan 0.000 0.540 564 Y N 2.236 122.562 120.300 0.044 0.000 2.512 564 Y HA 0.247 4.798 4.550 0.002 0.000 0.326 564 Y C -0.313 175.621 175.900 0.057 0.000 1.008 564 Y CA -1.026 57.101 58.100 0.046 0.000 1.139 564 Y CB 0.082 38.578 38.460 0.061 0.000 1.137 564 Y HN -0.081 nan 8.280 nan 0.000 0.630 565 Q N 1.284 121.225 119.800 0.235 0.000 2.396 565 Q HA 0.121 4.462 4.340 0.002 0.000 0.221 565 Q C 1.319 177.423 176.000 0.173 0.000 1.025 565 Q CA -0.386 55.517 55.803 0.165 0.000 0.946 565 Q CB 1.418 30.209 28.738 0.090 0.000 1.224 565 Q HN 0.403 nan 8.270 nan 0.000 0.539 566 K N 1.090 121.559 120.400 0.115 0.000 2.089 566 K HA -0.270 4.051 4.320 0.002 0.000 0.210 566 K C 1.870 178.515 176.600 0.076 0.000 1.048 566 K CA 1.813 58.153 56.287 0.089 0.000 0.926 566 K CB 0.037 32.566 32.500 0.048 0.000 0.714 566 K HN 0.398 nan 8.250 nan 0.000 0.448 567 K N 0.364 120.797 120.400 0.055 0.000 2.009 567 K HA -0.176 4.145 4.320 0.002 0.000 0.210 567 K C 1.674 178.294 176.600 0.033 0.000 1.049 567 K CA 2.057 58.362 56.287 0.031 0.000 0.929 567 K CB -0.039 32.470 32.500 0.015 0.000 0.714 567 K HN 0.144 nan 8.250 nan 0.000 0.440 568 D N 0.610 121.033 120.400 0.038 0.000 2.144 568 D HA -0.148 4.494 4.640 0.002 0.000 0.199 568 D C 1.839 178.215 176.300 0.128 0.000 0.984 568 D CA 0.692 54.692 54.000 -0.001 0.000 0.834 568 D CB -0.081 40.636 40.800 -0.138 0.000 0.955 568 D HN 0.076 nan 8.370 nan 0.000 0.465 569 L N 0.213 121.582 121.223 0.244 0.000 2.083 569 L HA -0.133 4.208 4.340 0.002 0.000 0.209 569 L C 2.318 179.262 176.870 0.123 0.000 1.083 569 L CA 1.063 56.064 54.840 0.267 0.000 0.752 569 L CB -0.273 41.910 42.059 0.206 0.000 0.899 569 L HN -0.080 nan 8.230 nan 0.000 0.433 570 V N -0.766 119.183 119.914 0.058 0.000 2.453 570 V HA -0.252 3.869 4.120 0.002 0.000 0.247 570 V C 2.479 178.566 176.094 -0.012 0.000 1.048 570 V CA 1.619 63.917 62.300 -0.004 0.000 1.049 570 V CB -0.553 31.266 31.823 -0.007 0.000 0.672 570 V HN 0.475 nan 8.190 nan 0.000 0.457 571 K N -0.060 120.345 120.400 0.008 0.000 2.209 571 K HA -0.176 4.145 4.320 0.002 0.000 0.204 571 K C 1.975 178.581 176.600 0.010 0.000 1.048 571 K CA 1.844 58.129 56.287 -0.003 0.000 0.940 571 K CB -0.116 32.373 32.500 -0.017 0.000 0.729 571 K HN 0.501 nan 8.250 nan 0.000 0.451 572 T N 1.023 115.610 114.554 0.055 0.000 2.937 572 T HA 0.042 4.393 4.350 0.002 0.000 0.260 572 T C 1.784 176.533 174.700 0.082 0.000 1.051 572 T CA 0.877 63.049 62.100 0.121 0.000 1.141 572 T CB 0.005 69.032 68.868 0.264 0.000 0.879 572 T HN 0.157 nan 8.240 nan 0.000 0.459 573 I N 0.851 121.356 120.570 -0.109 0.000 2.202 573 I HA -0.067 4.104 4.170 0.002 0.000 0.242 573 I C 2.208 178.229 176.117 -0.160 0.000 1.091 573 I CA 1.107 62.183 61.300 -0.373 0.000 1.368 573 I CB -0.272 37.445 38.000 -0.472 0.000 1.058 573 I HN 0.021 nan 8.210 nan 0.000 0.410 574 R N 0.562 121.009 120.500 -0.089 0.000 2.340 574 R HA -0.006 4.336 4.340 0.002 0.000 0.215 574 R C 1.720 178.006 176.300 -0.024 0.000 1.017 574 R CA 0.240 56.308 56.100 -0.052 0.000 1.111 574 R CB -0.055 30.220 30.300 -0.042 0.000 1.049 574 R HN 0.412 nan 8.270 nan 0.000 0.490 575 R N -0.587 119.908 120.500 -0.008 0.000 2.562 575 R HA 0.161 4.503 4.340 0.002 0.000 0.191 575 R C 1.401 177.721 176.300 0.033 0.000 0.835 575 R CA 0.028 56.136 56.100 0.013 0.000 1.036 575 R CB 0.451 30.764 30.300 0.022 0.000 1.437 575 R HN 0.091 nan 8.270 nan 0.000 0.654 576 L N 0.159 121.421 121.223 0.065 0.000 2.425 576 L HA 0.256 4.598 4.340 0.002 0.000 0.215 576 L C 0.114 177.037 176.870 0.089 0.000 1.065 576 L CA 0.024 54.928 54.840 0.107 0.000 0.842 576 L CB 0.146 42.334 42.059 0.216 0.000 1.033 576 L HN 0.088 nan 8.230 nan 0.000 0.474 577 D N 1.691 122.109 120.400 0.031 0.000 2.338 577 D HA 0.054 4.695 4.640 0.002 0.000 0.255 577 D C -1.384 174.912 176.300 -0.006 0.000 1.237 577 D CA -1.690 52.309 54.000 -0.001 0.000 0.883 577 D CB 1.197 41.932 40.800 -0.107 0.000 1.087 577 D HN -0.053 nan 8.370 nan 0.000 0.485 578 P HA -0.121 nan 4.420 nan 0.000 0.221 578 P C 1.409 178.705 177.300 -0.007 0.000 1.150 578 P CA 0.866 63.968 63.100 0.002 0.000 0.800 578 P CB 0.230 31.936 31.700 0.009 0.000 0.787 579 I N -0.601 119.962 120.570 -0.012 0.000 2.353 579 I HA -0.088 4.084 4.170 0.002 0.000 0.248 579 I C 1.191 177.292 176.117 -0.027 0.000 1.119 579 I CA 0.940 62.229 61.300 -0.017 0.000 1.417 579 I CB -0.896 37.094 38.000 -0.016 0.000 1.078 579 I HN -0.154 nan 8.210 nan 0.000 0.421 580 S N 2.157 117.832 115.700 -0.041 0.000 4.053 580 S HA 0.153 4.624 4.470 0.002 0.000 0.184 580 S C 0.044 174.622 174.600 -0.036 0.000 1.324 580 S CA 0.415 58.584 58.200 -0.051 0.000 0.956 580 S CB -0.576 62.574 63.200 -0.084 0.000 1.503 580 S HN 0.247 nan 8.310 nan 0.000 0.440 604 L N 0.846 122.056 121.223 -0.022 0.000 2.221 604 L HA 0.353 4.695 4.340 0.002 0.000 0.202 604 L C 2.133 178.983 176.870 -0.033 0.000 1.074 604 L CA 1.617 56.440 54.840 -0.030 0.000 0.795 604 L CB -0.034 42.008 42.059 -0.029 0.000 0.960 604 L HN 0.387 nan 8.230 nan 0.000 0.458 605 K N -0.442 119.942 120.400 -0.026 0.000 2.209 605 K HA -0.086 4.235 4.320 0.002 0.000 0.204 605 K C 1.975 178.561 176.600 -0.024 0.000 1.048 605 K CA 1.242 57.514 56.287 -0.024 0.000 0.940 605 K CB -0.155 32.334 32.500 -0.018 0.000 0.729 605 K HN 0.481 nan 8.250 nan 0.000 0.451 606 A N 0.401 123.208 122.820 -0.022 0.000 1.929 606 A HA -0.114 4.207 4.320 0.002 0.000 0.216 606 A C 2.031 179.601 177.584 -0.023 0.000 1.176 606 A CA 1.364 53.389 52.037 -0.019 0.000 0.628 606 A CB -0.306 18.684 19.000 -0.015 0.000 0.816 606 A HN 0.146 nan 8.150 nan 0.000 0.444 607 R N 0.750 121.231 120.500 -0.032 0.000 2.075 607 R HA -0.089 4.253 4.340 0.002 0.000 0.226 607 R C 2.077 178.342 176.300 -0.059 0.000 1.114 607 R CA 1.826 57.901 56.100 -0.042 0.000 0.972 607 R CB -0.501 29.771 30.300 -0.047 0.000 0.869 607 R HN 0.771 nan 8.270 nan 0.000 0.437 608 E N -0.314 119.848 120.200 -0.064 0.000 2.072 608 E HA -0.183 4.168 4.350 0.002 0.000 0.191 608 E C 0.926 177.497 176.600 -0.049 0.000 0.985 608 E CA 1.510 57.864 56.400 -0.078 0.000 0.801 608 E CB -0.386 29.270 29.700 -0.074 0.000 0.750 608 E HN 0.225 nan 8.360 nan 0.000 0.452 609 D N 0.566 120.947 120.400 -0.031 0.000 2.309 609 D HA -0.110 4.531 4.640 0.002 0.000 0.212 609 D C 1.889 178.183 176.300 -0.010 0.000 0.968 609 D CA 0.684 54.673 54.000 -0.018 0.000 0.882 609 D CB 0.045 40.835 40.800 -0.015 0.000 0.918 609 D HN 0.256 nan 8.370 nan 0.000 0.503 610 L N -0.302 120.914 121.223 -0.011 0.000 2.168 610 L HA 0.061 4.402 4.340 0.002 0.000 0.203 610 L C 1.803 178.684 176.870 0.018 0.000 1.078 610 L CA 1.228 56.069 54.840 0.001 0.000 0.780 610 L CB -0.297 41.760 42.059 -0.003 0.000 0.939 610 L HN -0.106 nan 8.230 nan 0.000 0.451 611 L N -1.001 120.225 121.223 0.004 0.000 2.492 611 L HA -0.006 4.335 4.340 0.002 0.000 0.223 611 L C 2.326 179.254 176.870 0.097 0.000 1.132 611 L CA 0.191 55.059 54.840 0.048 0.000 0.850 611 L CB -0.445 41.562 42.059 -0.086 0.000 0.966 611 L HN 0.262 nan 8.230 nan 0.000 0.454 612 L N 0.590 121.839 121.223 0.043 0.000 2.013 612 L HA -0.193 4.148 4.340 0.002 0.000 0.212 612 L C -0.185 176.747 176.870 0.104 0.000 1.073 612 L CA 1.790 56.667 54.840 0.063 0.000 0.753 612 L CB -1.438 40.633 42.059 0.020 0.000 0.890 612 L HN 0.294 nan 8.230 nan 0.000 0.432 613 P HA -0.109 nan 4.420 nan 0.000 0.229 613 P C 1.393 178.775 177.300 0.136 0.000 1.160 613 P CA 0.948 64.103 63.100 0.091 0.000 0.777 613 P CB 0.149 31.875 31.700 0.044 0.000 0.814 614 M N -2.020 117.666 119.600 0.144 0.000 2.216 614 M HA 0.025 4.507 4.480 0.002 0.000 0.264 614 M C 1.445 177.797 176.300 0.086 0.000 1.080 614 M CA 1.547 56.919 55.300 0.122 0.000 1.153 614 M CB -1.114 31.575 32.600 0.150 0.000 1.356 614 M HN -0.181 nan 8.290 nan 0.000 0.432 615 Y N -1.485 118.814 120.300 -0.001 0.000 2.571 615 Y HA -0.140 4.411 4.550 0.003 0.000 0.294 615 Y C 2.473 178.325 175.900 -0.080 0.000 1.141 615 Y CA 1.406 59.485 58.100 -0.035 0.000 1.308 615 Y CB -0.935 37.517 38.460 -0.014 0.000 1.002 615 Y HN 0.465 nan 8.280 nan 0.000 0.551 616 H N -0.562 118.503 119.070 -0.008 0.000 2.403 616 H HA -0.062 4.496 4.556 0.003 0.000 0.298 616 H C 1.919 177.185 175.328 -0.104 0.000 1.059 616 H CA 1.453 57.451 56.048 -0.084 0.000 1.363 616 H CB 0.198 29.942 29.762 -0.031 0.000 1.410 616 H HN 0.051 nan 8.280 nan 0.000 0.528 617 Q N 0.160 119.876 119.800 -0.140 0.000 2.226 617 Q HA -0.080 4.261 4.340 0.002 0.000 0.204 617 Q C 2.511 178.411 176.000 -0.167 0.000 0.975 617 Q CA 1.091 56.804 55.803 -0.150 0.000 0.866 617 Q CB -0.164 28.546 28.738 -0.047 0.000 0.915 617 Q HN 0.422 nan 8.270 nan 0.000 0.440 618 V N 1.045 120.828 119.914 -0.218 0.000 2.270 618 V HA -0.240 3.882 4.120 0.002 0.000 0.245 618 V C 2.405 178.391 176.094 -0.180 0.000 1.043 618 V CA 1.749 63.910 62.300 -0.231 0.000 1.014 618 V CB -1.061 30.536 31.823 -0.376 0.000 0.645 618 V HN 0.320 nan 8.190 nan 0.000 0.447 619 A N -0.254 122.312 122.820 -0.423 0.000 1.892 619 A HA -0.225 4.097 4.320 0.002 0.000 0.218 619 A C 2.225 179.691 177.584 -0.198 0.000 1.188 619 A CA 2.127 53.769 52.037 -0.658 0.000 0.631 619 A CB -0.664 17.610 19.000 -1.210 0.000 0.822 619 A HN 0.488 nan 8.150 nan 0.000 0.447 620 L N -1.814 119.254 121.223 -0.259 0.000 1.989 620 L HA -0.261 4.080 4.340 0.002 0.000 0.211 620 L C 2.637 179.502 176.870 -0.008 0.000 1.071 620 L CA 2.119 56.869 54.840 -0.151 0.000 0.749 620 L CB -0.690 41.244 42.059 -0.208 0.000 0.890 620 L HN 0.671 nan 8.230 nan 0.000 0.431 621 H N -1.061 117.974 119.070 -0.058 0.000 2.353 621 H HA -0.273 4.284 4.556 0.002 0.000 0.300 621 H C 2.024 177.397 175.328 0.075 0.000 1.090 621 H CA 1.972 58.018 56.048 -0.003 0.000 1.327 621 H CB -0.018 29.733 29.762 -0.019 0.000 1.383 621 H HN 0.302 nan 8.280 nan 0.000 0.508 622 F N 0.703 120.755 119.950 0.169 0.000 2.134 622 F HA -0.122 4.407 4.527 0.003 0.000 0.299 622 F C 2.384 178.331 175.800 0.244 0.000 1.097 622 F CA 1.393 59.517 58.000 0.208 0.000 1.264 622 F CB -0.699 38.430 39.000 0.215 0.000 1.001 622 F HN 0.236 nan 8.300 nan 0.000 0.479 623 A N -0.433 122.435 122.820 0.079 0.000 1.930 623 A HA -0.178 4.144 4.320 0.002 0.000 0.217 623 A C 1.848 179.400 177.584 -0.054 0.000 1.175 623 A CA 1.766 53.742 52.037 -0.102 0.000 0.627 623 A CB -1.118 17.859 19.000 -0.039 0.000 0.815 623 A HN 0.490 nan 8.150 nan 0.000 0.443 624 D N -0.286 120.086 120.400 -0.048 0.000 2.219 624 D HA -0.059 4.583 4.640 0.002 0.000 0.205 624 D C 1.615 177.869 176.300 -0.077 0.000 0.970 624 D CA 0.743 54.696 54.000 -0.080 0.000 0.851 624 D CB -0.181 40.532 40.800 -0.146 0.000 0.943 624 D HN 0.422 nan 8.370 nan 0.000 0.488 625 L N -0.554 120.627 121.223 -0.070 0.000 2.465 625 L HA -0.027 4.314 4.340 0.002 0.000 0.224 625 L C 1.687 178.475 176.870 -0.137 0.000 1.145 625 L CA 0.652 55.430 54.840 -0.104 0.000 0.834 625 L CB -0.256 41.740 42.059 -0.105 0.000 0.944 625 L HN 0.285 nan 8.230 nan 0.000 0.451 626 H N -1.105 117.839 119.070 -0.210 0.000 2.553 626 H HA 0.039 4.596 4.556 0.002 0.000 0.265 626 H C 0.468 175.716 175.328 -0.134 0.000 0.964 626 H CA 0.294 56.232 56.048 -0.183 0.000 1.156 626 H CB 0.574 30.213 29.762 -0.205 0.000 1.411 626 H HN 0.342 nan 8.280 nan 0.000 0.558 627 D N 0.992 121.392 120.400 0.001 0.000 2.368 627 D HA 0.011 4.652 4.640 0.002 0.000 0.218 627 D C 1.001 177.280 176.300 -0.034 0.000 1.112 627 D CA 0.107 54.090 54.000 -0.028 0.000 0.834 627 D CB 0.337 41.121 40.800 -0.027 0.000 0.953 627 D HN 0.314 nan 8.370 nan 0.000 0.505 628 T N -2.831 111.698 114.554 -0.042 0.000 2.849 628 T HA 0.503 4.854 4.350 0.002 0.000 0.284 628 T C 1.554 176.242 174.700 -0.020 0.000 1.004 628 T CA -0.397 61.683 62.100 -0.032 0.000 1.021 628 T CB 1.958 70.801 68.868 -0.041 0.000 1.013 628 T HN -0.077 nan 8.240 nan 0.000 0.527 629 A N 1.041 123.862 122.820 0.003 0.000 2.019 629 A HA 0.182 4.503 4.320 0.002 0.000 0.219 629 A C 2.403 179.992 177.584 0.009 0.000 1.164 629 A CA 1.512 53.565 52.037 0.026 0.000 0.644 629 A CB -1.556 17.469 19.000 0.043 0.000 0.805 629 A HN 1.079 nan 8.150 nan 0.000 0.449 630 G N -0.538 108.256 108.800 -0.009 0.000 2.422 630 G HA2 -0.243 3.718 3.960 0.002 0.000 0.218 630 G HA3 -0.243 3.718 3.960 0.002 0.000 0.218 630 G C 1.741 176.623 174.900 -0.031 0.000 1.146 630 G CA 0.993 46.082 45.100 -0.018 0.000 0.769 630 G HN 0.554 nan 8.290 nan 0.000 0.547 631 R N -0.484 119.988 120.500 -0.046 0.000 2.093 631 R HA 0.164 4.506 4.340 0.002 0.000 0.224 631 R C 2.634 178.898 176.300 -0.061 0.000 1.101 631 R CA 0.735 56.797 56.100 -0.063 0.000 0.979 631 R CB -0.222 30.029 30.300 -0.082 0.000 0.877 631 R HN 0.335 nan 8.270 nan 0.000 0.441 632 M N 0.216 119.787 119.600 -0.048 0.000 2.149 632 M HA -0.184 4.298 4.480 0.002 0.000 0.261 632 M C 2.067 178.359 176.300 -0.013 0.000 1.064 632 M CA 1.242 56.519 55.300 -0.037 0.000 1.102 632 M CB -0.198 32.422 32.600 0.033 0.000 1.369 632 M HN 0.201 nan 8.290 nan 0.000 0.408 633 L N 0.361 121.579 121.223 -0.008 0.000 2.095 633 L HA -0.052 4.290 4.340 0.002 0.000 0.204 633 L C 2.326 179.181 176.870 -0.024 0.000 1.080 633 L CA 1.726 56.560 54.840 -0.010 0.000 0.759 633 L CB -0.527 41.532 42.059 0.000 0.000 0.914 633 L HN 0.119 nan 8.230 nan 0.000 0.439 634 E N 0.088 120.270 120.200 -0.029 0.000 2.153 634 E HA -0.180 4.172 4.350 0.002 0.000 0.194 634 E C 1.829 178.406 176.600 -0.038 0.000 0.988 634 E CA 0.888 57.269 56.400 -0.033 0.000 0.811 634 E CB -0.038 29.639 29.700 -0.038 0.000 0.746 634 E HN 0.475 nan 8.360 nan 0.000 0.466 635 K N -0.880 119.492 120.400 -0.046 0.000 2.379 635 K HA 0.081 4.403 4.320 0.002 0.000 0.194 635 K C 1.127 177.699 176.600 -0.046 0.000 1.031 635 K CA 0.672 56.928 56.287 -0.051 0.000 1.037 635 K CB 0.826 33.283 32.500 -0.071 0.000 0.824 635 K HN 0.219 nan 8.250 nan 0.000 0.516 636 G N 1.792 110.565 108.800 -0.044 0.000 2.148 636 G HA2 -0.295 3.666 3.960 0.002 0.000 0.254 636 G HA3 -0.295 3.666 3.960 0.002 0.000 0.254 636 G C 0.903 175.780 174.900 -0.039 0.000 0.981 636 G CA 0.581 45.648 45.100 -0.056 0.000 0.670 636 G HN 0.237 nan 8.290 nan 0.000 0.528 637 V N -1.067 118.851 119.914 0.006 0.000 2.809 637 V HA 0.455 4.577 4.120 0.002 0.000 0.256 637 V C 1.309 177.528 176.094 0.209 0.000 1.080 637 V CA 1.541 63.908 62.300 0.112 0.000 1.102 637 V CB -0.523 31.343 31.823 0.073 0.000 0.705 637 V HN 1.172 nan 8.190 nan 0.000 0.475 638 I N -5.103 115.532 120.570 0.108 0.000 2.740 638 I HA 0.552 4.724 4.170 0.002 0.000 0.303 638 I C 0.973 177.048 176.117 -0.069 0.000 1.044 638 I CA -1.152 60.190 61.300 0.069 0.000 1.064 638 I CB 1.527 39.598 38.000 0.118 0.000 1.249 638 I HN -0.078 nan 8.210 nan 0.000 0.433 639 Y N 1.215 121.358 120.300 -0.262 0.000 2.130 639 Y HA 0.081 4.633 4.550 0.002 0.000 0.287 639 Y C 0.717 176.519 175.900 -0.163 0.000 1.124 639 Y CA 1.697 59.637 58.100 -0.266 0.000 1.118 639 Y CB 0.299 38.451 38.460 -0.513 0.000 0.994 639 Y HN 0.713 nan 8.280 nan 0.000 0.497 640 D N -2.017 118.355 120.400 -0.047 0.000 2.717 640 D HA 0.269 4.910 4.640 0.002 0.000 0.223 640 D C -1.385 174.947 176.300 0.054 0.000 1.240 640 D CA -0.473 53.558 54.000 0.051 0.000 0.801 640 D CB 1.210 42.089 40.800 0.132 0.000 1.556 640 D HN -0.088 nan 8.370 nan 0.000 0.462 641 I N 2.698 123.288 120.570 0.034 0.000 2.533 641 I HA 0.172 4.343 4.170 0.002 0.000 0.284 641 I C 0.160 176.271 176.117 -0.010 0.000 1.109 641 I CA -0.015 61.313 61.300 0.046 0.000 1.412 641 I CB 0.310 38.331 38.000 0.036 0.000 1.396 641 I HN 0.194 nan 8.210 nan 0.000 0.543 642 L N 6.393 127.644 121.223 0.047 0.000 2.358 642 L HA 0.496 4.838 4.340 0.002 0.000 0.268 642 L C 0.135 177.066 176.870 0.102 0.000 1.032 642 L CA -0.600 54.224 54.840 -0.027 0.000 0.805 642 L CB 1.620 43.598 42.059 -0.136 0.000 1.253 642 L HN 0.596 nan 8.230 nan 0.000 0.452 643 E N 1.123 121.376 120.200 0.088 0.000 2.185 643 E HA 0.011 4.362 4.350 0.002 0.000 0.261 643 E C 0.260 176.992 176.600 0.219 0.000 0.879 643 E CA -0.581 55.903 56.400 0.140 0.000 0.756 643 E CB 0.982 30.729 29.700 0.077 0.000 1.152 643 E HN 0.700 nan 8.360 nan 0.000 0.416 644 W N 5.385 126.751 121.300 0.111 0.000 2.290 644 W HA -0.333 4.330 4.660 0.005 0.000 0.328 644 W C 0.942 177.539 176.519 0.130 0.000 1.272 644 W CA 1.894 59.335 57.345 0.161 0.000 1.262 644 W CB 0.116 29.627 29.460 0.084 0.000 1.151 644 W HN 0.603 nan 8.180 nan 0.000 0.473 645 K N -0.706 119.706 120.400 0.019 0.000 2.160 645 K HA -0.184 4.137 4.320 0.002 0.000 0.206 645 K C 1.814 178.347 176.600 -0.113 0.000 1.047 645 K CA 2.445 58.672 56.287 -0.100 0.000 0.930 645 K CB -0.478 32.028 32.500 0.009 0.000 0.720 645 K HN 0.292 nan 8.250 nan 0.000 0.450 646 T N -3.728 110.803 114.554 -0.039 0.000 3.085 646 T HA 0.373 4.725 4.350 0.002 0.000 0.264 646 T C 1.540 176.243 174.700 0.006 0.000 1.019 646 T CA 0.121 62.215 62.100 -0.010 0.000 0.910 646 T CB 0.716 69.611 68.868 0.046 0.000 1.059 646 T HN 0.058 nan 8.240 nan 0.000 0.542 647 A N 2.279 125.075 122.820 -0.040 0.000 1.969 647 A HA 0.056 4.378 4.320 0.002 0.000 0.218 647 A C 2.453 180.049 177.584 0.020 0.000 1.169 647 A CA 1.237 53.266 52.037 -0.014 0.000 0.635 647 A CB -0.631 18.399 19.000 0.050 0.000 0.810 647 A HN 0.526 nan 8.150 nan 0.000 0.445 648 R N 0.387 120.744 120.500 -0.238 0.000 2.070 648 R HA -0.135 4.206 4.340 0.002 0.000 0.233 648 R C 2.164 178.282 176.300 -0.304 0.000 1.137 648 R CA 2.187 57.909 56.100 -0.630 0.000 0.945 648 R CB -0.388 29.488 30.300 -0.707 0.000 0.845 648 R HN 0.498 nan 8.270 nan 0.000 0.430 649 S N 0.371 115.993 115.700 -0.130 0.000 2.383 649 S HA -0.134 4.337 4.470 0.002 0.000 0.227 649 S C 1.587 176.303 174.600 0.194 0.000 1.026 649 S CA 1.141 59.351 58.200 0.016 0.000 0.981 649 S CB -0.514 62.752 63.200 0.110 0.000 0.818 649 S HN 0.375 nan 8.310 nan 0.000 0.472 650 F N 2.541 122.521 119.950 0.050 0.000 2.060 650 F HA 0.027 4.554 4.527 -0.000 0.000 0.295 650 F C 1.893 177.673 175.800 -0.033 0.000 1.120 650 F CA 1.149 59.177 58.000 0.046 0.000 1.205 650 F CB -0.520 38.451 39.000 -0.048 0.000 0.986 650 F HN 0.048 nan 8.300 nan 0.000 0.470 651 L N -0.933 120.397 121.223 0.179 0.000 2.083 651 L HA -0.246 4.096 4.340 0.002 0.000 0.209 651 L C 2.349 179.200 176.870 -0.032 0.000 1.083 651 L CA 1.577 56.437 54.840 0.034 0.000 0.752 651 L CB -1.096 41.021 42.059 0.098 0.000 0.899 651 L HN 0.297 nan 8.230 nan 0.000 0.433 652 Y N -0.027 120.171 120.300 -0.169 0.000 2.053 652 Y HA -0.315 4.239 4.550 0.005 0.000 0.277 652 Y C 2.211 177.931 175.900 -0.300 0.000 1.159 652 Y CA 1.621 59.544 58.100 -0.294 0.000 1.125 652 Y CB -0.735 37.419 38.460 -0.510 0.000 0.969 652 Y HN 0.049 nan 8.280 nan 0.000 0.492 653 W N 0.049 121.183 121.300 -0.276 0.000 2.363 653 W HA -0.159 4.500 4.660 -0.003 0.000 0.296 653 W C 2.676 178.961 176.519 -0.389 0.000 1.212 653 W CA 1.250 58.379 57.345 -0.361 0.000 1.260 653 W CB -0.417 28.910 29.460 -0.222 0.000 1.131 653 W HN -0.034 nan 8.180 nan 0.000 0.530 654 R N 0.731 121.107 120.500 -0.206 0.000 2.096 654 R HA -0.138 4.203 4.340 0.002 0.000 0.235 654 R C 1.941 178.137 176.300 -0.174 0.000 1.127 654 R CA 1.473 57.437 56.100 -0.228 0.000 0.968 654 R CB -1.113 29.032 30.300 -0.257 0.000 0.861 654 R HN 0.235 nan 8.270 nan 0.000 0.440 655 L N 0.259 121.367 121.223 -0.192 0.000 2.072 655 L HA 0.039 4.381 4.340 0.002 0.000 0.205 655 L C 2.211 178.963 176.870 -0.196 0.000 1.079 655 L CA 1.611 56.361 54.840 -0.151 0.000 0.752 655 L CB -0.519 41.483 42.059 -0.095 0.000 0.906 655 L HN 0.071 nan 8.230 nan 0.000 0.436 656 R N -0.012 120.267 120.500 -0.369 0.000 2.091 656 R HA -0.188 4.154 4.340 0.002 0.000 0.238 656 R C 2.444 178.659 176.300 -0.141 0.000 1.136 656 R CA 1.720 57.615 56.100 -0.342 0.000 0.959 656 R CB -0.470 29.463 30.300 -0.611 0.000 0.856 656 R HN 0.443 nan 8.270 nan 0.000 0.437 657 R N 0.398 120.832 120.500 -0.110 0.000 2.070 657 R HA -0.107 4.235 4.340 0.002 0.000 0.232 657 R C 2.497 178.775 176.300 -0.037 0.000 1.138 657 R CA 1.628 57.694 56.100 -0.056 0.000 0.936 657 R CB -0.477 29.759 30.300 -0.106 0.000 0.839 657 R HN 0.159 nan 8.270 nan 0.000 0.429 658 L N 0.816 122.007 121.223 -0.053 0.000 2.043 658 L HA -0.230 4.112 4.340 0.002 0.000 0.212 658 L C 2.538 179.414 176.870 0.010 0.000 1.075 658 L CA 1.322 56.153 54.840 -0.016 0.000 0.752 658 L CB -0.473 41.575 42.059 -0.019 0.000 0.891 658 L HN 0.286 nan 8.230 nan 0.000 0.432 659 L N -0.942 120.279 121.223 -0.004 0.000 2.141 659 L HA -0.190 4.152 4.340 0.002 0.000 0.209 659 L C 2.450 179.331 176.870 0.018 0.000 1.094 659 L CA 0.928 55.774 54.840 0.010 0.000 0.763 659 L CB -0.326 41.731 42.059 -0.003 0.000 0.908 659 L HN 0.234 nan 8.230 nan 0.000 0.437 660 L N -0.561 120.672 121.223 0.016 0.000 2.044 660 L HA -0.190 4.151 4.340 0.002 0.000 0.205 660 L C 2.639 179.548 176.870 0.064 0.000 1.075 660 L CA 1.211 56.072 54.840 0.035 0.000 0.747 660 L CB -0.343 41.742 42.059 0.042 0.000 0.903 660 L HN 0.267 nan 8.230 nan 0.000 0.435 661 E N -0.280 119.972 120.200 0.086 0.000 2.130 661 E HA -0.275 4.077 4.350 0.002 0.000 0.196 661 E C 2.243 178.904 176.600 0.101 0.000 0.998 661 E CA 1.633 58.109 56.400 0.128 0.000 0.806 661 E CB 0.064 29.840 29.700 0.126 0.000 0.738 661 E HN 0.485 nan 8.360 nan 0.000 0.459 662 S N -0.335 115.408 115.700 0.071 0.000 2.395 662 S HA -0.153 4.319 4.470 0.002 0.000 0.225 662 S C 1.961 176.590 174.600 0.048 0.000 1.027 662 S CA 0.844 59.080 58.200 0.061 0.000 0.965 662 S CB -0.139 63.093 63.200 0.053 0.000 0.812 662 S HN 0.283 nan 8.310 nan 0.000 0.482 663 Q N 0.484 120.309 119.800 0.041 0.000 2.050 663 Q HA -0.047 4.294 4.340 0.002 0.000 0.202 663 Q C 2.397 178.413 176.000 0.027 0.000 0.980 663 Q CA 1.811 57.632 55.803 0.030 0.000 0.840 663 Q CB -0.460 28.293 28.738 0.025 0.000 0.898 663 Q HN 0.520 nan 8.270 nan 0.000 0.424 664 V N 1.303 121.238 119.914 0.036 0.000 2.407 664 V HA -0.268 3.853 4.120 0.002 0.000 0.248 664 V C 1.936 178.049 176.094 0.032 0.000 1.055 664 V CA 1.785 64.102 62.300 0.029 0.000 1.049 664 V CB -0.407 31.443 31.823 0.045 0.000 0.662 664 V HN 0.297 nan 8.190 nan 0.000 0.455 665 K N -0.618 119.811 120.400 0.049 0.000 2.211 665 K HA -0.058 4.264 4.320 0.002 0.000 0.203 665 K C 1.094 177.711 176.600 0.028 0.000 1.050 665 K CA 0.731 57.045 56.287 0.046 0.000 0.945 665 K CB 0.010 32.547 32.500 0.062 0.000 0.732 665 K HN 0.558 nan 8.250 nan 0.000 0.451 681 Q N 1.586 121.440 119.800 0.090 0.000 2.083 681 Q HA -0.028 4.313 4.340 0.002 0.000 0.198 681 Q C 1.805 177.859 176.000 0.090 0.000 0.969 681 Q CA 2.737 58.616 55.803 0.127 0.000 0.838 681 Q CB -0.613 28.211 28.738 0.143 0.000 0.900 681 Q HN 0.493 nan 8.270 nan 0.000 0.436 682 S N 0.876 116.605 115.700 0.048 0.000 2.399 682 S HA -0.110 4.361 4.470 0.002 0.000 0.231 682 S C 1.702 176.294 174.600 -0.013 0.000 1.022 682 S CA 1.359 59.557 58.200 -0.003 0.000 0.983 682 S CB -0.396 62.808 63.200 0.007 0.000 0.803 682 S HN 0.530 nan 8.310 nan 0.000 0.480 683 M N 1.079 120.699 119.600 0.034 0.000 2.117 683 M HA -0.036 4.445 4.480 0.002 0.000 0.262 683 M C 1.923 178.293 176.300 0.116 0.000 1.065 683 M CA 1.570 56.908 55.300 0.064 0.000 1.114 683 M CB -0.600 32.033 32.600 0.054 0.000 1.361 683 M HN 0.322 nan 8.290 nan 0.000 0.408 684 L N -0.082 121.214 121.223 0.121 0.000 2.072 684 L HA -0.170 4.172 4.340 0.002 0.000 0.205 684 L C 2.868 179.700 176.870 -0.063 0.000 1.079 684 L CA 1.131 56.106 54.840 0.223 0.000 0.752 684 L CB -0.440 41.812 42.059 0.321 0.000 0.906 684 L HN 0.341 nan 8.230 nan 0.000 0.436 685 R N -0.399 119.837 120.500 -0.440 0.000 2.075 685 R HA -0.170 4.172 4.340 0.002 0.000 0.232 685 R C 2.467 178.446 176.300 -0.535 0.000 1.126 685 R CA 1.306 56.769 56.100 -1.062 0.000 0.963 685 R CB -0.127 29.624 30.300 -0.915 0.000 0.858 685 R HN 0.229 nan 8.270 nan 0.000 0.435 686 R N -0.194 120.179 120.500 -0.211 0.000 2.092 686 R HA -0.178 4.164 4.340 0.002 0.000 0.231 686 R C 2.042 178.356 176.300 0.024 0.000 1.119 686 R CA 1.323 57.377 56.100 -0.076 0.000 0.970 686 R CB -0.363 29.937 30.300 0.000 0.000 0.864 686 R HN 0.472 nan 8.270 nan 0.000 0.440 687 W N 0.511 121.780 121.300 -0.050 0.000 2.425 687 W HA -0.241 4.421 4.660 0.002 0.000 0.277 687 W C 1.380 177.909 176.519 0.017 0.000 1.231 687 W CA 0.726 58.120 57.345 0.082 0.000 1.248 687 W CB -0.200 29.410 29.460 0.251 0.000 1.117 687 W HN 0.094 nan 8.180 nan 0.000 0.568 688 F N 0.769 120.395 119.950 -0.541 0.000 2.128 688 F HA -0.182 4.346 4.527 0.001 0.000 0.295 688 F C 2.141 177.521 175.800 -0.701 0.000 1.100 688 F CA 2.142 59.491 58.000 -1.085 0.000 1.260 688 F CB -0.877 37.402 39.000 -1.201 0.000 1.009 688 F HN -0.326 nan 8.300 nan 0.000 0.476 689 V N 0.918 120.640 119.914 -0.319 0.000 2.287 689 V HA -0.322 3.799 4.120 0.002 0.000 0.248 689 V C 2.385 178.276 176.094 -0.338 0.000 1.053 689 V CA 2.247 64.385 62.300 -0.271 0.000 1.027 689 V CB -0.888 30.849 31.823 -0.143 0.000 0.646 689 V HN 0.452 nan 8.190 nan 0.000 0.447 690 E N 1.372 121.376 120.200 -0.327 0.000 2.058 690 E HA -0.251 4.100 4.350 0.002 0.000 0.194 690 E C 2.171 178.502 176.600 -0.447 0.000 0.997 690 E CA 2.645 58.847 56.400 -0.330 0.000 0.801 690 E CB -0.531 29.001 29.700 -0.279 0.000 0.746 690 E HN 0.735 nan 8.360 nan 0.000 0.450 691 T N -2.431 111.729 114.554 -0.656 0.000 2.894 691 T HA 0.056 4.408 4.350 0.002 0.000 0.258 691 T C 1.622 176.048 174.700 -0.456 0.000 1.043 691 T CA 0.800 62.557 62.100 -0.572 0.000 1.141 691 T CB -0.134 68.308 68.868 -0.711 0.000 0.873 691 T HN 0.030 nan 8.240 nan 0.000 0.449 692 E N 1.346 121.151 120.200 -0.659 0.000 2.307 692 E HA 0.366 4.718 4.350 0.002 0.000 0.195 692 E C 1.221 177.566 176.600 -0.425 0.000 0.975 692 E CA 0.783 56.814 56.400 -0.615 0.000 0.878 692 E CB 0.391 29.452 29.700 -1.064 0.000 0.845 692 E HN 0.753 nan 8.360 nan 0.000 0.488 693 G N 0.255 108.817 108.800 -0.396 0.000 2.640 693 G HA2 -0.008 3.954 3.960 0.002 0.000 0.686 693 G HA3 -0.008 3.954 3.960 0.002 0.000 0.686 693 G C 0.552 175.349 174.900 -0.171 0.000 1.229 693 G CA -0.201 44.762 45.100 -0.229 0.000 0.796 693 G HN 0.178 nan 8.290 nan 0.000 0.654 694 A N 0.473 123.236 122.820 -0.096 0.000 2.070 694 A HA 0.219 4.540 4.320 0.002 0.000 0.220 694 A C 2.527 180.124 177.584 0.022 0.000 1.159 694 A CA 2.856 54.871 52.037 -0.036 0.000 0.656 694 A CB -0.145 18.837 19.000 -0.031 0.000 0.800 694 A HN 1.997 nan 8.150 nan 0.000 0.453 695 V N -0.683 119.243 119.914 0.021 0.000 2.951 695 V HA -0.031 4.091 4.120 0.002 0.000 0.255 695 V C 1.771 177.989 176.094 0.207 0.000 1.088 695 V CA 1.681 64.033 62.300 0.086 0.000 1.109 695 V CB -0.369 31.482 31.823 0.046 0.000 0.724 695 V HN 0.455 nan 8.190 nan 0.000 0.471 696 K N -0.103 120.340 120.400 0.071 0.000 2.367 696 K HA 0.305 4.627 4.320 0.002 0.000 0.194 696 K C 2.001 178.567 176.600 -0.057 0.000 1.027 696 K CA 0.781 57.039 56.287 -0.048 0.000 1.075 696 K CB 0.206 32.575 32.500 -0.218 0.000 0.845 696 K HN 0.471 nan 8.250 nan 0.000 0.529 697 A N 1.695 124.597 122.820 0.136 0.000 1.997 697 A HA -0.247 4.075 4.320 0.002 0.000 0.221 697 A C 2.045 179.746 177.584 0.194 0.000 1.172 697 A CA 1.712 53.889 52.037 0.233 0.000 0.645 697 A CB -0.948 18.133 19.000 0.135 0.000 0.813 697 A HN 0.516 nan 8.150 nan 0.000 0.454 698 Y N -1.102 119.276 120.300 0.130 0.000 2.315 698 Y HA -0.007 4.544 4.550 0.001 0.000 0.288 698 Y C 1.486 177.438 175.900 0.086 0.000 1.154 698 Y CA 1.091 59.245 58.100 0.091 0.000 1.229 698 Y CB -0.957 37.538 38.460 0.058 0.000 0.980 698 Y HN 0.138 nan 8.280 nan 0.000 0.540 699 L N -0.090 120.853 121.223 -0.466 0.000 2.622 699 L HA -0.101 4.241 4.340 0.002 0.000 0.233 699 L C 2.242 178.966 176.870 -0.244 0.000 1.156 699 L CA 0.363 55.020 54.840 -0.306 0.000 0.866 699 L CB -0.554 41.343 42.059 -0.271 0.000 0.980 699 L HN 0.583 nan 8.230 nan 0.000 0.448 700 W N 0.779 121.763 121.300 -0.527 0.000 2.825 700 W HA -0.097 4.565 4.660 0.003 0.000 0.243 700 W C 0.514 176.822 176.519 -0.352 0.000 1.293 700 W CA 0.571 57.464 57.345 -0.754 0.000 1.403 700 W CB 0.286 29.286 29.460 -0.767 0.000 1.134 700 W HN 0.252 nan 8.180 nan 0.000 0.666 701 D N 0.035 120.293 120.400 -0.237 0.000 2.349 701 D HA -0.006 4.636 4.640 0.002 0.000 0.214 701 D C -0.438 175.752 176.300 -0.182 0.000 1.063 701 D CA 0.430 54.320 54.000 -0.183 0.000 0.847 701 D CB -0.178 40.614 40.800 -0.012 0.000 0.933 701 D HN 0.120 nan 8.370 nan 0.000 0.513 702 N N 0.822 119.377 118.700 -0.243 0.000 2.511 702 N HA 0.087 4.828 4.740 0.002 0.000 0.249 702 N C 0.969 176.306 175.510 -0.289 0.000 0.971 702 N CA -0.353 52.564 53.050 -0.222 0.000 0.938 702 N CB 0.662 39.049 38.487 -0.167 0.000 1.131 702 N HN -0.234 nan 8.380 nan 0.000 0.505 703 N N 2.314 120.830 118.700 -0.306 0.000 2.043 703 N HA -0.252 4.490 4.740 0.002 0.000 0.193 703 N C 1.218 176.606 175.510 -0.204 0.000 1.037 703 N CA 1.178 54.072 53.050 -0.260 0.000 0.851 703 N CB -0.200 38.137 38.487 -0.250 0.000 1.027 703 N HN 0.708 nan 8.380 nan 0.000 0.422 704 Q N 0.590 120.130 119.800 -0.434 0.000 2.112 704 Q HA -0.136 4.205 4.340 0.002 0.000 0.206 704 Q C 1.564 177.349 176.000 -0.357 0.000 0.987 704 Q CA 1.912 57.239 55.803 -0.793 0.000 0.858 704 Q CB -0.027 27.871 28.738 -1.400 0.000 0.905 704 Q HN 0.339 nan 8.270 nan 0.000 0.420 705 T N 0.131 114.549 114.554 -0.228 0.000 2.652 705 T HA -0.142 4.209 4.350 0.002 0.000 0.267 705 T C 1.869 176.655 174.700 0.142 0.000 1.039 705 T CA 1.650 63.726 62.100 -0.040 0.000 1.153 705 T CB -0.354 68.492 68.868 -0.036 0.000 0.863 705 T HN 0.134 nan 8.240 nan 0.000 0.428 706 V N 1.188 121.153 119.914 0.085 0.000 2.343 706 V HA -0.142 3.979 4.120 0.002 0.000 0.247 706 V C 2.673 178.962 176.094 0.324 0.000 1.051 706 V CA 1.214 63.652 62.300 0.229 0.000 1.036 706 V CB -0.832 30.893 31.823 -0.162 0.000 0.654 706 V HN 0.298 nan 8.190 nan 0.000 0.451 707 V N -0.271 119.745 119.914 0.171 0.000 2.233 707 V HA -0.360 3.761 4.120 0.002 0.000 0.247 707 V C 2.498 178.731 176.094 0.232 0.000 1.050 707 V CA 2.349 64.773 62.300 0.207 0.000 1.010 707 V CB -0.796 31.210 31.823 0.306 0.000 0.637 707 V HN 0.555 nan 8.190 nan 0.000 0.444 708 Q N -1.601 118.327 119.800 0.213 0.000 2.181 708 Q HA -0.284 4.058 4.340 0.002 0.000 0.205 708 Q C 1.969 178.122 176.000 0.256 0.000 0.980 708 Q CA 2.308 58.230 55.803 0.199 0.000 0.862 708 Q CB -0.276 28.537 28.738 0.124 0.000 0.905 708 Q HN 0.836 nan 8.270 nan 0.000 0.429 709 W N 0.814 122.213 121.300 0.166 0.000 2.413 709 W HA -0.115 4.546 4.660 0.001 0.000 0.315 709 W C 1.433 178.128 176.519 0.293 0.000 1.186 709 W CA 1.065 58.550 57.345 0.233 0.000 1.326 709 W CB -0.421 29.179 29.460 0.233 0.000 1.153 709 W HN 0.002 nan 8.180 nan 0.000 0.489 710 L N 0.818 122.037 121.223 -0.008 0.000 2.042 710 L HA -0.243 4.099 4.340 0.002 0.000 0.210 710 L C 2.427 179.234 176.870 -0.105 0.000 1.076 710 L CA 2.028 56.741 54.840 -0.212 0.000 0.749 710 L CB -0.900 41.187 42.059 0.045 0.000 0.893 710 L HN 0.068 nan 8.230 nan 0.000 0.432 711 E N -0.329 119.877 120.200 0.011 0.000 2.204 711 E HA -0.177 4.175 4.350 0.002 0.000 0.194 711 E C 2.171 178.768 176.600 -0.006 0.000 0.989 711 E CA 0.946 57.359 56.400 0.020 0.000 0.824 711 E CB -0.073 29.670 29.700 0.071 0.000 0.756 711 E HN 0.550 nan 8.360 nan 0.000 0.477 712 A N 1.065 123.882 122.820 -0.006 0.000 1.844 712 A HA -0.034 4.288 4.320 0.002 0.000 0.212 712 A C 0.576 178.064 177.584 -0.160 0.000 1.221 712 A CA 0.547 52.555 52.037 -0.048 0.000 0.607 712 A CB -0.488 18.529 19.000 0.027 0.000 0.878 712 A HN 0.154 nan 8.150 nan 0.000 0.451 713 H N -0.116 118.815 119.070 -0.231 0.000 3.089 713 H HA 0.493 5.050 4.556 0.002 0.000 0.262 713 H C 0.606 175.838 175.328 -0.159 0.000 1.160 713 H CA 0.924 56.863 56.048 -0.182 0.000 1.482 713 H CB -0.026 29.564 29.762 -0.287 0.000 1.511 713 H HN 0.737 nan 8.280 nan 0.000 0.483 714 G N 0.000 108.786 108.800 -0.023 0.000 5.446 714 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 714 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 714 G CA 0.000 45.079 45.100 -0.035 0.000 0.502 714 G HN 0.000 nan 8.290 nan 0.000 0.925